USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 78:sc= -1.22 USER MOD Set 1.2: A 102 CYS SG : rot 158:sc= -4.15! USER MOD Set 1.3: A 104 LYS NZ :NH3+ -156:sc= 0.673 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -1.68 K(o=-7.4,f=-13) USER MOD Set 1.5: A 116 HIS : no HD1:sc= -0.478 K(o=-7.4,f=-12) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.598 K(o=-7.4,f=-12!) USER MOD Set 2.1: A 69 CYS SG : rot 110:sc= 0.632! USER MOD Set 2.2: A 70 LYS NZ :NH3+ 137:sc= 0.252 (180deg=0) USER MOD Set 2.3: A 71 THR OG1 : rot 71:sc= 0.552 USER MOD Set 2.4: A 72 CYS SG : rot -44:sc= -0.974! USER MOD Set 2.5: A 85 HIS : no HD1:sc= -0.305 K(o=2.9,f=0.12) USER MOD Set 2.6: A 86 THR OG1 : rot 81:sc= 1.35 USER MOD Set 2.7: A 88 THR OG1 : rot -92:sc= 1.12 USER MOD Set 2.8: A 89 HIS : no HD1:sc= 0.247 K(o=2.9,f=-0.41) USER MOD Set 3.1: A 68 GLN : amide:sc= 1.21 K(o=1.3,f=-0.0014) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -133:sc= 0.129 (180deg=0) USER MOD Set 4.1: A 39 CYS SG : rot -150:sc=-0.00887 USER MOD Set 4.2: A 57 HIS :FLIP no HE2:sc= -2.55! C(o=-3.3!,f=-2.6!) USER MOD Set 4.3: A 61 HIS : no HE2:sc= -0.0217 K(o=-2.6,f=-3.4) USER MOD Set 5.1: A 49 SER OG : rot 65:sc= 1.59 USER MOD Set 5.2: A 53 GLN : amide:sc= 1.32 K(o=2.9,f=-0.21!) USER MOD Set 6.1: A 9 CYS SG : rot 60:sc= -1.49 USER MOD Set 6.2: A 14 CYS SG : rot -165:sc= 1.92 USER MOD Set 6.3: A 16 LYS NZ :NH3+ -133:sc= 1.28 (180deg=-0.151) USER MOD Set 6.4: A 18 TYR OH : rot 180:sc= -0.152 USER MOD Set 6.5: A 27 HIS : no HE2:sc= -2.88 K(o=-4.6,f=-7.1) USER MOD Set 6.6: A 31 HIS : no HE2:sc= -3.23 K(o=-4.6,f=-6.1!) USER MOD Single : A 8 MET CE :methyl 163:sc= -0.0395 (180deg=-0.346) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.11 K(o=1.1,f=-0.08) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.039) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00187 USER MOD Single : A 23 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-6.1!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.514 F(o=-2.8!,f=-0.51) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 84:sc= 1.28 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0034) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= 0.577 (180deg=0.32) USER MOD Single : A 58 GLN : amide:sc= 0.836 K(o=0.84,f=-7.4!) USER MOD Single : A 62 THR OG1 : rot -78:sc= -0.285 USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= 0.0578 (180deg=-0.148) USER MOD Single : A 73 GLN : amide:sc= 0.409 K(o=0.41,f=-0.27) USER MOD Single : A 77 SER OG : rot -60:sc= 1.16 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.68) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 59:sc= 1.25 USER MOD Single : A 90 THR OG1 : rot 81:sc= 1.13 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 0.329 (180deg=-0.05) USER MOD Single : A 96 SER OG : rot 170:sc= -0.0361 USER MOD Single : A 101 SER OG : rot 41:sc= 1.13 USER MOD Single : A 103 GLN : amide:sc= 1.04 K(o=1,f=-0.1) USER MOD Single : A 105 LYS NZ :NH3+ 179:sc= 0.498 (180deg=0.493) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.985 K(o=0.98,f=-0.056) USER MOD Single : A 118 MET CE :methyl 177:sc= 0 (180deg=-0.0159) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.062 17.785 -5.762 1.00 0.00 N ATOM 98 CA PHE A 7 12.504 16.994 -4.657 1.00 0.00 C ATOM 99 C PHE A 7 13.212 15.639 -4.553 1.00 0.00 C ATOM 100 O PHE A 7 13.851 15.200 -5.498 1.00 0.00 O ATOM 101 CB PHE A 7 10.997 16.764 -4.895 1.00 0.00 C ATOM 102 CG PHE A 7 10.184 18.029 -5.078 1.00 0.00 C ATOM 103 CD1 PHE A 7 9.774 18.769 -3.956 1.00 0.00 C ATOM 104 CD2 PHE A 7 9.870 18.490 -6.372 1.00 0.00 C ATOM 105 CE1 PHE A 7 9.090 19.985 -4.134 1.00 0.00 C ATOM 106 CE2 PHE A 7 9.159 19.692 -6.543 1.00 0.00 C ATOM 107 CZ PHE A 7 8.781 20.449 -5.423 1.00 0.00 C ATOM 0 HA PHE A 7 12.654 17.543 -3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.874 16.138 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.591 16.206 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.983 18.405 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.176 17.919 -7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.800 20.567 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.904 20.032 -7.536 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.255 21.384 -5.552 1.00 0.00 H new ATOM 117 N MET A 8 13.077 14.975 -3.401 1.00 0.00 N ATOM 118 CA MET A 8 13.507 13.570 -3.262 1.00 0.00 C ATOM 119 C MET A 8 12.460 12.771 -2.510 1.00 0.00 C ATOM 120 O MET A 8 11.724 13.311 -1.681 1.00 0.00 O ATOM 121 CB MET A 8 14.859 13.467 -2.537 1.00 0.00 C ATOM 122 CG MET A 8 16.078 13.990 -3.310 1.00 0.00 C ATOM 123 SD MET A 8 16.358 15.784 -3.322 1.00 0.00 S ATOM 124 CE MET A 8 16.659 16.102 -1.561 1.00 0.00 C ATOM 0 H MET A 8 12.677 15.379 -2.554 1.00 0.00 H new ATOM 0 HA MET A 8 13.625 13.159 -4.265 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.787 14.014 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.035 12.421 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.967 13.514 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.989 13.657 -4.344 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.136 17.075 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.711 16.095 -1.023 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.311 15.327 -1.158 1.00 0.00 H new ATOM 134 N CYS A 9 12.421 11.479 -2.787 1.00 0.00 N ATOM 135 CA CYS A 9 11.552 10.551 -2.075 1.00 0.00 C ATOM 136 C CYS A 9 11.981 10.420 -0.584 1.00 0.00 C ATOM 137 O CYS A 9 13.125 10.718 -0.224 1.00 0.00 O ATOM 138 CB CYS A 9 11.606 9.180 -2.769 1.00 0.00 C ATOM 139 SG CYS A 9 11.264 7.770 -1.710 1.00 0.00 S ATOM 0 H CYS A 9 12.990 11.041 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 9 10.531 10.932 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.890 9.179 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.595 9.052 -3.208 1.00 0.00 H new ATOM 0 HG CYS A 9 10.070 7.884 -1.208 1.00 0.00 H new ATOM 144 N ALA A 10 11.046 9.950 0.259 1.00 0.00 N ATOM 145 CA ALA A 10 11.318 9.699 1.675 1.00 0.00 C ATOM 146 C ALA A 10 11.111 8.198 2.010 1.00 0.00 C ATOM 147 O ALA A 10 10.266 7.843 2.837 1.00 0.00 O ATOM 148 CB ALA A 10 10.398 10.577 2.539 1.00 0.00 C ATOM 0 H ALA A 10 10.090 9.736 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 10 12.356 9.953 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.601 10.389 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.582 11.628 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.357 10.337 2.322 1.00 0.00 H new ATOM 154 N TYR A 11 11.906 7.335 1.365 1.00 0.00 N ATOM 155 CA TYR A 11 11.849 5.888 1.601 1.00 0.00 C ATOM 156 C TYR A 11 13.240 5.248 1.351 1.00 0.00 C ATOM 157 O TYR A 11 13.903 5.563 0.366 1.00 0.00 O ATOM 158 CB TYR A 11 10.809 5.252 0.677 1.00 0.00 C ATOM 159 CG TYR A 11 10.425 3.850 1.080 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.610 3.635 2.209 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.923 2.760 0.350 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.348 2.324 2.646 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.630 1.453 0.757 1.00 0.00 C ATOM 164 CZ TYR A 11 9.883 1.228 1.930 1.00 0.00 C ATOM 165 OH TYR A 11 9.716 -0.044 2.375 1.00 0.00 O ATOM 0 H TYR A 11 12.600 7.616 0.672 1.00 0.00 H new ATOM 0 HA TYR A 11 11.563 5.711 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.915 5.876 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.200 5.235 -0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.187 4.476 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.532 2.929 -0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.742 2.155 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.977 0.615 0.170 1.00 0.00 H new ATOM 0 HH TYR A 11 10.150 -0.667 1.755 1.00 0.00 H new ATOM 175 N PRO A 12 13.703 4.352 2.261 1.00 0.00 N ATOM 176 CA PRO A 12 15.046 3.759 2.172 1.00 0.00 C ATOM 177 C PRO A 12 15.254 2.956 0.876 1.00 0.00 C ATOM 178 O PRO A 12 16.359 2.903 0.344 1.00 0.00 O ATOM 179 CB PRO A 12 15.130 2.844 3.405 1.00 0.00 C ATOM 180 CG PRO A 12 13.685 2.606 3.844 1.00 0.00 C ATOM 181 CD PRO A 12 12.992 3.903 3.449 1.00 0.00 C ATOM 0 HA PRO A 12 15.822 4.524 2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.625 1.904 3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.709 3.312 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.247 1.744 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.614 2.420 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.935 3.740 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.049 4.642 4.248 1.00 0.00 H new ATOM 189 N GLY A 13 14.176 2.333 0.379 1.00 0.00 N ATOM 190 CA GLY A 13 14.255 1.533 -0.855 1.00 0.00 C ATOM 191 C GLY A 13 14.263 2.405 -2.136 1.00 0.00 C ATOM 192 O GLY A 13 14.174 1.878 -3.244 1.00 0.00 O ATOM 0 H GLY A 13 13.250 2.365 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.158 0.923 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.409 0.847 -0.893 1.00 0.00 H new ATOM 196 N CYS A 14 14.338 3.738 -1.964 1.00 0.00 N ATOM 197 CA CYS A 14 14.311 4.672 -3.093 1.00 0.00 C ATOM 198 C CYS A 14 15.085 5.969 -2.752 1.00 0.00 C ATOM 199 O CYS A 14 16.282 6.075 -3.034 1.00 0.00 O ATOM 200 CB CYS A 14 12.860 5.001 -3.443 1.00 0.00 C ATOM 201 SG CYS A 14 12.706 6.276 -4.729 1.00 0.00 S ATOM 0 H CYS A 14 14.418 4.187 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 14 14.796 4.204 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.359 4.093 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.343 5.336 -2.544 1.00 0.00 H new ATOM 0 HG CYS A 14 11.488 6.731 -4.746 1.00 0.00 H new ATOM 206 N ASN A 15 14.375 6.961 -2.172 1.00 0.00 N ATOM 207 CA ASN A 15 14.961 8.276 -1.863 1.00 0.00 C ATOM 208 C ASN A 15 15.524 8.953 -3.149 1.00 0.00 C ATOM 209 O ASN A 15 16.446 9.775 -3.083 1.00 0.00 O ATOM 210 CB ASN A 15 16.080 8.117 -0.801 1.00 0.00 C ATOM 211 CG ASN A 15 16.260 9.339 0.091 1.00 0.00 C ATOM 212 OD1 ASN A 15 16.115 9.278 1.303 1.00 0.00 O ATOM 213 ND2 ASN A 15 16.610 10.475 -0.472 1.00 0.00 N ATOM 0 H ASN A 15 13.393 6.872 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 15 14.177 8.918 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.855 7.253 -0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.022 7.907 -1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.760 11.304 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.731 10.527 -1.483 1.00 0.00 H new ATOM 220 N LYS A 16 14.927 8.621 -4.308 1.00 0.00 N ATOM 221 CA LYS A 16 15.353 9.184 -5.594 1.00 0.00 C ATOM 222 C LYS A 16 14.754 10.560 -5.801 1.00 0.00 C ATOM 223 O LYS A 16 13.917 11.001 -5.023 1.00 0.00 O ATOM 224 CB LYS A 16 14.921 8.247 -6.743 1.00 0.00 C ATOM 225 CG LYS A 16 15.716 6.927 -6.708 1.00 0.00 C ATOM 226 CD LYS A 16 15.392 5.997 -7.889 1.00 0.00 C ATOM 227 CE LYS A 16 14.017 5.322 -7.797 1.00 0.00 C ATOM 228 NZ LYS A 16 13.968 4.314 -6.720 1.00 0.00 N ATOM 0 H LYS A 16 14.149 7.965 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 16 16.439 9.276 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.855 8.036 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.077 8.744 -7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.783 7.152 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.504 6.406 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.441 6.572 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.160 5.226 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.253 6.079 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.782 4.847 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.536 3.440 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.933 4.112 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.400 4.679 -5.929 1.00 0.00 H new ATOM 242 N ARG A 17 15.214 11.262 -6.840 1.00 0.00 N ATOM 243 CA ARG A 17 14.880 12.672 -7.009 1.00 0.00 C ATOM 244 C ARG A 17 13.726 12.867 -8.004 1.00 0.00 C ATOM 245 O ARG A 17 13.700 12.268 -9.080 1.00 0.00 O ATOM 246 CB ARG A 17 16.124 13.457 -7.486 1.00 0.00 C ATOM 247 CG ARG A 17 16.742 13.033 -8.834 1.00 0.00 C ATOM 248 CD ARG A 17 16.259 13.870 -10.029 1.00 0.00 C ATOM 249 NE ARG A 17 16.696 13.278 -11.305 1.00 0.00 N ATOM 250 CZ ARG A 17 16.112 12.278 -11.962 1.00 0.00 C ATOM 251 NH1 ARG A 17 15.028 11.669 -11.530 1.00 0.00 N ATOM 252 NH2 ARG A 17 16.624 11.862 -13.099 1.00 0.00 N ATOM 0 H ARG A 17 15.814 10.878 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 17 14.555 13.054 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.855 14.511 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 17 16.893 13.372 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 17 17.827 13.108 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.506 11.985 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.171 13.940 -10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.646 14.886 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 17 17.534 13.676 -11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.596 11.959 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.620 10.908 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.463 12.305 -13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.182 11.096 -13.608 1.00 0.00 H new ATOM 266 N TYR A 18 12.794 13.741 -7.622 1.00 0.00 N ATOM 267 CA TYR A 18 11.631 14.082 -8.434 1.00 0.00 C ATOM 268 C TYR A 18 11.669 15.571 -8.834 1.00 0.00 C ATOM 269 O TYR A 18 12.406 16.365 -8.245 1.00 0.00 O ATOM 270 CB TYR A 18 10.357 13.791 -7.637 1.00 0.00 C ATOM 271 CG TYR A 18 10.071 12.310 -7.510 1.00 0.00 C ATOM 272 CD1 TYR A 18 10.747 11.535 -6.548 1.00 0.00 C ATOM 273 CD2 TYR A 18 9.199 11.681 -8.416 1.00 0.00 C ATOM 274 CE1 TYR A 18 10.588 10.138 -6.538 1.00 0.00 C ATOM 275 CE2 TYR A 18 9.114 10.279 -8.466 1.00 0.00 C ATOM 276 CZ TYR A 18 9.863 9.503 -7.561 1.00 0.00 C ATOM 277 OH TYR A 18 9.919 8.152 -7.692 1.00 0.00 O ATOM 0 H TYR A 18 12.828 14.236 -6.731 1.00 0.00 H new ATOM 0 HA TYR A 18 11.643 13.480 -9.343 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.449 14.225 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.511 14.280 -8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.386 12.012 -5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 18 8.590 12.279 -9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.024 9.552 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.477 9.799 -9.195 1.00 0.00 H new ATOM 0 HH TYR A 18 9.360 7.873 -8.447 1.00 0.00 H new ATOM 287 N PHE A 19 10.865 15.938 -9.839 1.00 0.00 N ATOM 288 CA PHE A 19 10.883 17.305 -10.396 1.00 0.00 C ATOM 289 C PHE A 19 9.573 18.060 -10.092 1.00 0.00 C ATOM 290 O PHE A 19 9.486 19.268 -10.301 1.00 0.00 O ATOM 291 CB PHE A 19 11.093 17.237 -11.911 1.00 0.00 C ATOM 292 CG PHE A 19 12.423 16.630 -12.317 1.00 0.00 C ATOM 293 CD1 PHE A 19 13.586 17.424 -12.315 1.00 0.00 C ATOM 294 CD2 PHE A 19 12.503 15.275 -12.694 1.00 0.00 C ATOM 295 CE1 PHE A 19 14.820 16.871 -12.697 1.00 0.00 C ATOM 296 CE2 PHE A 19 13.738 14.723 -13.078 1.00 0.00 C ATOM 297 CZ PHE A 19 14.894 15.523 -13.086 1.00 0.00 C ATOM 0 H PHE A 19 10.194 15.313 -10.285 1.00 0.00 H new ATOM 0 HA PHE A 19 11.703 17.849 -9.926 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.287 16.653 -12.355 1.00 0.00 H new ATOM 0 HB3 PHE A 19 11.022 18.243 -12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.529 18.461 -12.019 1.00 0.00 H new ATOM 0 HD2 PHE A 19 11.615 14.660 -12.688 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.711 17.482 -12.692 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.798 13.684 -13.367 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.840 15.101 -13.392 1.00 0.00 H new ATOM 307 N LYS A 20 8.579 17.343 -9.552 1.00 0.00 N ATOM 308 CA LYS A 20 7.305 17.951 -9.141 1.00 0.00 C ATOM 309 C LYS A 20 6.928 17.486 -7.736 1.00 0.00 C ATOM 310 O LYS A 20 7.226 16.364 -7.349 1.00 0.00 O ATOM 311 CB LYS A 20 6.195 17.569 -10.140 1.00 0.00 C ATOM 312 CG LYS A 20 6.102 18.597 -11.277 1.00 0.00 C ATOM 313 CD LYS A 20 5.042 18.217 -12.325 1.00 0.00 C ATOM 314 CE LYS A 20 3.597 18.298 -11.809 1.00 0.00 C ATOM 315 NZ LYS A 20 3.200 19.690 -11.508 1.00 0.00 N ATOM 0 H LYS A 20 8.632 16.338 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 20 7.418 19.035 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.397 16.581 -10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.239 17.508 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.863 19.575 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.074 18.687 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.146 18.875 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.237 17.202 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.921 17.880 -12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.497 17.689 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.187 19.720 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.750 20.041 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.383 20.290 -12.337 1.00 0.00 H new ATOM 329 N LEU A 21 6.228 18.340 -6.997 1.00 0.00 N ATOM 330 CA LEU A 21 5.830 18.015 -5.628 1.00 0.00 C ATOM 331 C LEU A 21 4.644 17.024 -5.627 1.00 0.00 C ATOM 332 O LEU A 21 4.683 16.013 -4.948 1.00 0.00 O ATOM 333 CB LEU A 21 5.454 19.296 -4.861 1.00 0.00 C ATOM 334 CG LEU A 21 5.846 19.211 -3.363 1.00 0.00 C ATOM 335 CD1 LEU A 21 5.474 20.511 -2.644 1.00 0.00 C ATOM 336 CD2 LEU A 21 5.322 17.996 -2.589 1.00 0.00 C ATOM 0 H LEU A 21 5.925 19.259 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 21 6.675 17.543 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.951 20.152 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.381 19.468 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 21 6.926 19.068 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.754 20.439 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.003 21.346 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.399 20.675 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.662 18.049 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.232 17.992 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.699 17.082 -3.048 1.00 0.00 H new ATOM 348 N SER A 22 3.610 17.322 -6.423 1.00 0.00 N ATOM 349 CA SER A 22 2.419 16.444 -6.545 1.00 0.00 C ATOM 350 C SER A 22 2.753 15.111 -7.245 1.00 0.00 C ATOM 351 O SER A 22 2.213 14.063 -6.897 1.00 0.00 O ATOM 352 CB SER A 22 1.323 17.171 -7.332 1.00 0.00 C ATOM 353 OG SER A 22 1.832 17.696 -8.552 1.00 0.00 O ATOM 0 H SER A 22 3.565 18.164 -6.997 1.00 0.00 H new ATOM 0 HA SER A 22 2.073 16.215 -5.537 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.504 16.483 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.912 17.980 -6.728 1.00 0.00 H new ATOM 0 HG SER A 22 1.113 18.153 -9.036 1.00 0.00 H new ATOM 359 N HIS A 23 3.649 15.168 -8.222 1.00 0.00 N ATOM 360 CA HIS A 23 4.104 13.956 -8.905 1.00 0.00 C ATOM 361 C HIS A 23 4.923 13.085 -7.924 1.00 0.00 C ATOM 362 O HIS A 23 4.658 11.888 -7.769 1.00 0.00 O ATOM 363 CB HIS A 23 4.918 14.328 -10.176 1.00 0.00 C ATOM 364 CG HIS A 23 6.355 13.973 -10.507 1.00 0.00 C ATOM 365 ND1 HIS A 23 6.769 13.594 -11.768 1.00 0.00 N ATOM 366 CD2 HIS A 23 7.482 14.355 -9.839 1.00 0.00 C ATOM 367 CE1 HIS A 23 8.102 13.760 -11.846 1.00 0.00 C ATOM 368 NE2 HIS A 23 8.584 14.228 -10.688 1.00 0.00 N ATOM 0 H HIS A 23 4.074 16.031 -8.560 1.00 0.00 H new ATOM 0 HA HIS A 23 3.244 13.372 -9.233 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.332 13.943 -11.010 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.875 15.416 -10.231 1.00 0.00 H new ATOM 0 HD1 HIS A 23 6.167 13.247 -12.514 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.516 14.701 -8.816 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.699 13.546 -12.720 1.00 0.00 H new ATOM 376 N LEU A 24 5.797 13.739 -7.150 1.00 0.00 N ATOM 377 CA LEU A 24 6.491 13.078 -6.048 1.00 0.00 C ATOM 378 C LEU A 24 5.493 12.618 -4.935 1.00 0.00 C ATOM 379 O LEU A 24 5.723 11.613 -4.272 1.00 0.00 O ATOM 380 CB LEU A 24 7.550 14.019 -5.459 1.00 0.00 C ATOM 381 CG LEU A 24 8.488 13.528 -4.333 1.00 0.00 C ATOM 382 CD1 LEU A 24 8.073 14.111 -2.978 1.00 0.00 C ATOM 383 CD2 LEU A 24 8.682 12.008 -4.230 1.00 0.00 C ATOM 0 H LEU A 24 6.037 14.723 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 24 6.980 12.187 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.181 14.351 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.027 14.899 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 24 9.467 13.908 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.750 13.749 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.119 15.199 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.055 13.800 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.359 11.783 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.719 11.530 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.106 11.631 -5.161 1.00 0.00 H new ATOM 395 N GLN A 25 4.403 13.366 -4.736 1.00 0.00 N ATOM 396 CA GLN A 25 3.381 12.990 -3.743 1.00 0.00 C ATOM 397 C GLN A 25 2.701 11.683 -4.138 1.00 0.00 C ATOM 398 O GLN A 25 2.545 10.784 -3.309 1.00 0.00 O ATOM 399 CB GLN A 25 2.326 14.105 -3.603 1.00 0.00 C ATOM 400 CG GLN A 25 1.139 13.701 -2.705 1.00 0.00 C ATOM 401 CD GLN A 25 0.074 14.784 -2.585 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.067 14.474 -2.000 1.00 0.00 O flip ATOM 403 NE2 GLN A 25 0.249 15.919 -2.995 1.00 0.00 N flip ATOM 0 H GLN A 25 4.203 14.229 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 25 3.879 12.851 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.799 14.996 -3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.953 14.371 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.682 12.796 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.512 13.457 -1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.128 16.168 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.484 16.620 -2.884 1.00 0.00 H new ATOM 412 N MET A 26 2.346 11.554 -5.422 1.00 0.00 N ATOM 413 CA MET A 26 1.824 10.300 -5.948 1.00 0.00 C ATOM 414 C MET A 26 2.840 9.172 -5.725 1.00 0.00 C ATOM 415 O MET A 26 2.510 8.140 -5.140 1.00 0.00 O ATOM 416 CB MET A 26 1.511 10.438 -7.447 1.00 0.00 C ATOM 417 CG MET A 26 0.899 9.151 -8.020 1.00 0.00 C ATOM 418 SD MET A 26 -0.601 8.568 -7.178 1.00 0.00 S ATOM 419 CE MET A 26 -0.735 6.908 -7.892 1.00 0.00 C ATOM 0 H MET A 26 2.413 12.304 -6.110 1.00 0.00 H new ATOM 0 HA MET A 26 0.902 10.057 -5.419 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.822 11.268 -7.600 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.425 10.679 -7.989 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.665 9.316 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.649 8.361 -7.980 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.610 6.405 -7.481 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.836 6.985 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.160 6.335 -7.651 1.00 0.00 H new ATOM 429 N HIS A 27 4.113 9.444 -6.045 1.00 0.00 N ATOM 430 CA HIS A 27 5.181 8.472 -5.817 1.00 0.00 C ATOM 431 C HIS A 27 5.247 8.083 -4.324 1.00 0.00 C ATOM 432 O HIS A 27 5.280 6.901 -3.985 1.00 0.00 O ATOM 433 CB HIS A 27 6.538 9.060 -6.261 1.00 0.00 C ATOM 434 CG HIS A 27 7.625 8.153 -5.796 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.770 6.817 -6.114 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.535 8.468 -4.834 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.784 6.345 -5.374 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.294 7.334 -4.631 1.00 0.00 N ATOM 0 H HIS A 27 4.422 10.323 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 27 4.966 7.580 -6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.569 9.162 -7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.673 10.057 -5.843 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.212 6.289 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.642 9.417 -4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.135 5.324 -5.377 1.00 0.00 H new ATOM 446 N SER A 28 5.167 9.084 -3.446 1.00 0.00 N ATOM 447 CA SER A 28 5.229 8.866 -1.999 1.00 0.00 C ATOM 448 C SER A 28 4.095 7.943 -1.528 1.00 0.00 C ATOM 449 O SER A 28 4.306 7.081 -0.670 1.00 0.00 O ATOM 450 CB SER A 28 5.134 10.213 -1.264 1.00 0.00 C ATOM 451 OG SER A 28 6.119 11.125 -1.715 1.00 0.00 O ATOM 0 H SER A 28 5.058 10.062 -3.715 1.00 0.00 H new ATOM 0 HA SER A 28 6.181 8.387 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.144 10.642 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.250 10.052 -0.192 1.00 0.00 H new ATOM 0 HG SER A 28 5.800 11.578 -2.523 1.00 0.00 H new ATOM 457 N ARG A 29 2.909 8.060 -2.162 1.00 0.00 N ATOM 458 CA ARG A 29 1.779 7.167 -1.858 1.00 0.00 C ATOM 459 C ARG A 29 2.145 5.714 -2.182 1.00 0.00 C ATOM 460 O ARG A 29 1.793 4.808 -1.443 1.00 0.00 O ATOM 461 CB ARG A 29 0.515 7.599 -2.640 1.00 0.00 C ATOM 462 CG ARG A 29 -0.211 8.709 -1.845 1.00 0.00 C ATOM 463 CD ARG A 29 -1.313 9.425 -2.646 1.00 0.00 C ATOM 464 NE ARG A 29 -2.302 10.117 -1.787 1.00 0.00 N ATOM 465 CZ ARG A 29 -2.141 11.160 -0.974 1.00 0.00 C ATOM 466 NH1 ARG A 29 -0.977 11.750 -0.803 1.00 0.00 N ATOM 467 NH2 ARG A 29 -3.135 11.599 -0.237 1.00 0.00 N ATOM 0 H ARG A 29 2.713 8.758 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 29 1.560 7.239 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.790 7.963 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.147 6.746 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.651 8.273 -0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.522 9.445 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.853 10.151 -3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.830 8.697 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.248 9.738 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.155 11.411 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.897 12.546 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.045 11.140 -0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.997 12.399 0.381 1.00 0.00 H new ATOM 481 N LYS A 30 2.891 5.505 -3.279 1.00 0.00 N ATOM 482 CA LYS A 30 3.384 4.161 -3.626 1.00 0.00 C ATOM 483 C LYS A 30 4.244 3.569 -2.480 1.00 0.00 C ATOM 484 O LYS A 30 4.258 2.356 -2.281 1.00 0.00 O ATOM 485 CB LYS A 30 4.218 4.218 -4.928 1.00 0.00 C ATOM 486 CG LYS A 30 4.161 2.890 -5.719 1.00 0.00 C ATOM 487 CD LYS A 30 5.497 2.144 -5.870 1.00 0.00 C ATOM 488 CE LYS A 30 5.989 1.506 -4.566 1.00 0.00 C ATOM 489 NZ LYS A 30 7.134 0.605 -4.806 1.00 0.00 N ATOM 0 H LYS A 30 3.163 6.238 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 30 2.519 3.515 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.851 5.029 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.255 4.449 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.449 2.226 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.768 3.098 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.387 1.367 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.254 2.839 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.280 2.287 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.176 0.948 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.443 0.189 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.848 -0.154 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.918 1.144 -5.226 1.00 0.00 H new ATOM 503 N HIS A 31 4.949 4.441 -1.725 1.00 0.00 N ATOM 504 CA HIS A 31 5.823 3.984 -0.628 1.00 0.00 C ATOM 505 C HIS A 31 5.057 3.896 0.709 1.00 0.00 C ATOM 506 O HIS A 31 5.444 3.132 1.589 1.00 0.00 O ATOM 507 CB HIS A 31 7.030 4.919 -0.479 1.00 0.00 C ATOM 508 CG HIS A 31 8.144 4.601 -1.448 1.00 0.00 C ATOM 509 ND1 HIS A 31 8.640 3.345 -1.723 1.00 0.00 N ATOM 510 CD2 HIS A 31 8.940 5.502 -2.101 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.735 3.491 -2.481 1.00 0.00 C ATOM 512 NE2 HIS A 31 9.942 4.775 -2.760 1.00 0.00 N ATOM 0 H HIS A 31 4.929 5.453 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 31 6.173 2.984 -0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.706 5.949 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.411 4.852 0.540 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.243 2.460 -1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.819 6.575 -2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.362 2.679 -2.819 1.00 0.00 H new ATOM 520 N THR A 32 3.986 4.703 0.876 1.00 0.00 N ATOM 521 CA THR A 32 3.136 4.605 2.101 1.00 0.00 C ATOM 522 C THR A 32 2.672 3.159 2.335 1.00 0.00 C ATOM 523 O THR A 32 2.507 2.730 3.475 1.00 0.00 O ATOM 524 CB THR A 32 1.888 5.521 1.995 1.00 0.00 C ATOM 525 OG1 THR A 32 1.519 5.923 3.291 1.00 0.00 O ATOM 526 CG2 THR A 32 0.588 4.967 1.397 1.00 0.00 C ATOM 0 H THR A 32 3.689 5.412 0.205 1.00 0.00 H new ATOM 0 HA THR A 32 3.750 4.931 2.941 1.00 0.00 H new ATOM 0 HB THR A 32 2.240 6.287 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.732 6.504 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.175 5.745 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.768 4.643 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.247 4.119 1.991 1.00 0.00 H new ATOM 592 N TYR A 37 7.017 -2.471 9.572 1.00 0.00 N ATOM 593 CA TYR A 37 6.683 -2.710 11.000 1.00 0.00 C ATOM 594 C TYR A 37 7.111 -4.138 11.425 1.00 0.00 C ATOM 595 O TYR A 37 7.548 -4.931 10.600 1.00 0.00 O ATOM 596 CB TYR A 37 5.165 -2.542 11.233 1.00 0.00 C ATOM 597 CG TYR A 37 4.558 -1.194 10.902 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.218 -0.890 9.574 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.297 -0.259 11.926 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.657 0.361 9.259 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.704 0.981 11.622 1.00 0.00 C ATOM 602 CZ TYR A 37 3.384 1.292 10.283 1.00 0.00 C ATOM 603 OH TYR A 37 2.790 2.471 9.964 1.00 0.00 O ATOM 0 HA TYR A 37 7.223 -1.979 11.601 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.647 -3.299 10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.958 -2.757 12.281 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.387 -1.617 8.794 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.553 -0.496 12.948 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.435 0.609 8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.495 1.690 12.409 1.00 0.00 H new ATOM 0 HH TYR A 37 2.666 3.005 10.776 1.00 0.00 H new ATOM 613 N GLN A 38 6.943 -4.454 12.718 1.00 0.00 N ATOM 614 CA GLN A 38 7.142 -5.827 13.233 1.00 0.00 C ATOM 615 C GLN A 38 5.960 -6.228 14.133 1.00 0.00 C ATOM 616 O GLN A 38 5.345 -5.372 14.773 1.00 0.00 O ATOM 617 CB GLN A 38 8.454 -5.894 14.039 1.00 0.00 C ATOM 618 CG GLN A 38 8.914 -7.308 14.442 1.00 0.00 C ATOM 619 CD GLN A 38 9.502 -7.334 15.849 1.00 0.00 C ATOM 620 OE1 GLN A 38 10.706 -7.279 16.044 1.00 0.00 O ATOM 621 NE2 GLN A 38 8.682 -7.438 16.878 1.00 0.00 N ATOM 0 H GLN A 38 6.669 -3.779 13.432 1.00 0.00 H new ATOM 0 HA GLN A 38 7.199 -6.518 12.392 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.245 -5.427 13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.335 -5.298 14.944 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.069 -7.994 14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.659 -7.664 13.730 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.675 -7.485 16.725 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.056 -7.472 17.826 1.00 0.00 H new ATOM 630 N CYS A 39 5.649 -7.531 14.166 1.00 0.00 N ATOM 631 CA CYS A 39 4.578 -8.053 15.023 1.00 0.00 C ATOM 632 C CYS A 39 4.768 -7.591 16.479 1.00 0.00 C ATOM 633 O CYS A 39 5.900 -7.503 16.976 1.00 0.00 O ATOM 634 CB CYS A 39 4.554 -9.577 14.965 1.00 0.00 C ATOM 635 SG CYS A 39 3.041 -10.108 15.824 1.00 0.00 S ATOM 0 H CYS A 39 6.124 -8.242 13.609 1.00 0.00 H new ATOM 0 HA CYS A 39 3.628 -7.664 14.656 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.555 -9.925 13.932 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.439 -9.997 15.444 1.00 0.00 H new ATOM 0 HG CYS A 39 3.235 -11.275 16.363 1.00 0.00 H new ATOM 731 N ARG A 46 8.076 -11.345 13.501 1.00 0.00 N ATOM 732 CA ARG A 46 7.834 -11.306 12.049 1.00 0.00 C ATOM 733 C ARG A 46 7.631 -9.869 11.594 1.00 0.00 C ATOM 734 O ARG A 46 6.968 -9.083 12.268 1.00 0.00 O ATOM 735 CB ARG A 46 6.591 -12.139 11.692 1.00 0.00 C ATOM 736 CG ARG A 46 6.789 -13.647 11.929 1.00 0.00 C ATOM 737 CD ARG A 46 5.439 -14.372 11.852 1.00 0.00 C ATOM 738 NE ARG A 46 5.559 -15.805 12.167 1.00 0.00 N ATOM 739 CZ ARG A 46 5.537 -16.355 13.381 1.00 0.00 C ATOM 740 NH1 ARG A 46 5.399 -15.672 14.494 1.00 0.00 N ATOM 741 NH2 ARG A 46 5.659 -17.659 13.496 1.00 0.00 N ATOM 0 HA ARG A 46 8.702 -11.727 11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.745 -11.792 12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.337 -11.972 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.473 -14.054 11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.245 -13.813 12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.738 -13.907 12.545 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.022 -14.255 10.852 1.00 0.00 H new ATOM 0 HE ARG A 46 5.670 -16.441 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.300 -14.657 14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.390 -16.156 15.392 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.769 -18.236 12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.644 -18.093 14.419 1.00 0.00 H new ATOM 755 N ARG A 47 8.239 -9.517 10.465 1.00 0.00 N ATOM 756 CA ARG A 47 8.216 -8.143 9.968 1.00 0.00 C ATOM 757 C ARG A 47 7.230 -7.996 8.801 1.00 0.00 C ATOM 758 O ARG A 47 6.970 -8.949 8.067 1.00 0.00 O ATOM 759 CB ARG A 47 9.632 -7.723 9.520 1.00 0.00 C ATOM 760 CG ARG A 47 10.272 -8.420 8.299 1.00 0.00 C ATOM 761 CD ARG A 47 10.392 -9.954 8.328 1.00 0.00 C ATOM 762 NE ARG A 47 10.883 -10.482 9.619 1.00 0.00 N ATOM 763 CZ ARG A 47 11.297 -11.722 9.867 1.00 0.00 C ATOM 764 NH1 ARG A 47 11.478 -12.606 8.911 1.00 0.00 N ATOM 765 NH2 ARG A 47 11.512 -12.112 11.101 1.00 0.00 N ATOM 0 H ARG A 47 8.756 -10.167 9.874 1.00 0.00 H new ATOM 0 HA ARG A 47 7.885 -7.491 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.607 -6.653 9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.301 -7.867 10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.694 -8.146 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.272 -8.009 8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.417 -10.391 8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.067 -10.273 7.534 1.00 0.00 H new ATOM 0 HE ARG A 47 10.907 -9.827 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.300 -12.350 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.796 -13.547 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.362 -11.464 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.829 -13.063 11.287 1.00 0.00 H new ATOM 779 N PHE A 48 6.711 -6.782 8.639 1.00 0.00 N ATOM 780 CA PHE A 48 5.732 -6.463 7.602 1.00 0.00 C ATOM 781 C PHE A 48 6.096 -5.149 6.929 1.00 0.00 C ATOM 782 O PHE A 48 6.915 -4.394 7.441 1.00 0.00 O ATOM 783 CB PHE A 48 4.333 -6.349 8.228 1.00 0.00 C ATOM 784 CG PHE A 48 3.916 -7.656 8.837 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.498 -8.684 7.978 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.163 -7.914 10.200 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.408 -9.991 8.458 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.092 -9.234 10.674 1.00 0.00 C ATOM 789 CZ PHE A 48 3.767 -10.274 9.788 1.00 0.00 C ATOM 0 H PHE A 48 6.959 -5.986 9.227 1.00 0.00 H new ATOM 0 HA PHE A 48 5.733 -7.259 6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.333 -5.570 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.612 -6.050 7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.247 -8.465 6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.404 -7.105 10.873 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.064 -10.783 7.810 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.286 -9.448 11.715 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.793 -11.298 10.130 1.00 0.00 H new ATOM 799 N SER A 49 5.492 -4.881 5.772 1.00 0.00 N ATOM 800 CA SER A 49 5.782 -3.658 5.016 1.00 0.00 C ATOM 801 C SER A 49 4.583 -2.687 5.032 1.00 0.00 C ATOM 802 O SER A 49 4.504 -1.787 4.208 1.00 0.00 O ATOM 803 CB SER A 49 6.147 -4.016 3.563 1.00 0.00 C ATOM 804 OG SER A 49 5.221 -4.911 2.974 1.00 0.00 O ATOM 0 H SER A 49 4.800 -5.491 5.337 1.00 0.00 H new ATOM 0 HA SER A 49 6.625 -3.159 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.193 -3.104 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.142 -4.462 3.541 1.00 0.00 H new ATOM 0 HG SER A 49 4.346 -4.476 2.902 1.00 0.00 H new ATOM 810 N ARG A 50 3.676 -2.853 6.014 1.00 0.00 N ATOM 811 CA ARG A 50 2.571 -1.897 6.219 1.00 0.00 C ATOM 812 C ARG A 50 1.866 -2.153 7.545 1.00 0.00 C ATOM 813 O ARG A 50 1.831 -3.286 8.030 1.00 0.00 O ATOM 814 CB ARG A 50 1.556 -2.014 5.069 1.00 0.00 C ATOM 815 CG ARG A 50 0.909 -0.663 4.728 1.00 0.00 C ATOM 816 CD ARG A 50 -0.085 -0.822 3.578 1.00 0.00 C ATOM 817 NE ARG A 50 0.560 -1.406 2.394 1.00 0.00 N ATOM 818 CZ ARG A 50 0.050 -2.180 1.455 1.00 0.00 C ATOM 819 NH1 ARG A 50 -1.193 -2.547 1.544 1.00 0.00 N ATOM 820 NH2 ARG A 50 0.868 -2.633 0.547 1.00 0.00 N ATOM 0 H ARG A 50 3.686 -3.632 6.672 1.00 0.00 H new ATOM 0 HA ARG A 50 2.992 -0.892 6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.055 -2.410 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.780 -2.728 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.399 -0.265 5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.680 0.057 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.913 -1.457 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.508 0.150 3.323 1.00 0.00 H new ATOM 0 HE ARG A 50 1.548 -1.180 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.761 -2.237 2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.601 -3.145 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.857 -2.385 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.519 -3.235 -0.199 1.00 0.00 H new ATOM 834 N SER A 51 1.195 -1.115 8.064 1.00 0.00 N ATOM 835 CA SER A 51 0.330 -1.260 9.238 1.00 0.00 C ATOM 836 C SER A 51 -0.823 -2.219 8.936 1.00 0.00 C ATOM 837 O SER A 51 -1.242 -2.977 9.795 1.00 0.00 O ATOM 838 CB SER A 51 -0.234 0.110 9.651 1.00 0.00 C ATOM 839 OG SER A 51 -0.982 0.695 8.599 1.00 0.00 O ATOM 0 H SER A 51 1.236 -0.168 7.688 1.00 0.00 H new ATOM 0 HA SER A 51 0.924 -1.667 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.867 -0.005 10.531 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.584 0.773 9.932 1.00 0.00 H new ATOM 0 HG SER A 51 -1.330 1.564 8.889 1.00 0.00 H new ATOM 845 N ASP A 52 -1.312 -2.184 7.690 1.00 0.00 N ATOM 846 CA ASP A 52 -2.399 -3.061 7.253 1.00 0.00 C ATOM 847 C ASP A 52 -1.950 -4.540 7.249 1.00 0.00 C ATOM 848 O ASP A 52 -2.666 -5.412 7.732 1.00 0.00 O ATOM 849 CB ASP A 52 -2.850 -2.654 5.846 1.00 0.00 C ATOM 850 CG ASP A 52 -4.065 -3.447 5.355 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.983 -3.677 6.178 1.00 0.00 O ATOM 852 OD2 ASP A 52 -4.048 -3.844 4.170 1.00 0.00 O ATOM 0 H ASP A 52 -0.968 -1.554 6.966 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.229 -2.958 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.090 -1.591 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.024 -2.797 5.150 1.00 0.00 H new ATOM 857 N GLN A 53 -0.730 -4.794 6.757 1.00 0.00 N ATOM 858 CA GLN A 53 -0.161 -6.148 6.751 1.00 0.00 C ATOM 859 C GLN A 53 0.052 -6.649 8.179 1.00 0.00 C ATOM 860 O GLN A 53 -0.352 -7.757 8.522 1.00 0.00 O ATOM 861 CB GLN A 53 1.177 -6.151 6.003 1.00 0.00 C ATOM 862 CG GLN A 53 1.028 -5.902 4.498 1.00 0.00 C ATOM 863 CD GLN A 53 2.390 -5.708 3.849 1.00 0.00 C ATOM 864 OE1 GLN A 53 2.712 -4.654 3.325 1.00 0.00 O ATOM 865 NE2 GLN A 53 3.258 -6.702 3.856 1.00 0.00 N ATOM 0 H GLN A 53 -0.119 -4.081 6.359 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.862 -6.812 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.826 -5.386 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.671 -7.110 6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.515 -6.744 4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.410 -5.020 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.011 -7.592 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.176 -6.580 3.429 1.00 0.00 H new ATOM 874 N LEU A 54 0.649 -5.799 9.019 1.00 0.00 N ATOM 875 CA LEU A 54 0.843 -6.105 10.433 1.00 0.00 C ATOM 876 C LEU A 54 -0.520 -6.340 11.139 1.00 0.00 C ATOM 877 O LEU A 54 -0.673 -7.290 11.901 1.00 0.00 O ATOM 878 CB LEU A 54 1.600 -4.935 11.105 1.00 0.00 C ATOM 879 CG LEU A 54 1.655 -4.887 12.639 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.229 -6.161 13.236 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.574 -3.750 13.087 1.00 0.00 C ATOM 0 H LEU A 54 1.008 -4.887 8.738 1.00 0.00 H new ATOM 0 HA LEU A 54 1.429 -7.020 10.523 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.626 -4.947 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.148 -4.005 10.760 1.00 0.00 H new ATOM 0 HG LEU A 54 0.629 -4.750 12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.247 -6.078 14.323 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.609 -7.010 12.947 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.244 -6.311 12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.610 -3.719 14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.577 -3.917 12.695 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.190 -2.802 12.710 1.00 0.00 H new ATOM 893 N LYS A 55 -1.511 -5.487 10.837 1.00 0.00 N ATOM 894 CA LYS A 55 -2.868 -5.618 11.407 1.00 0.00 C ATOM 895 C LYS A 55 -3.501 -6.960 11.014 1.00 0.00 C ATOM 896 O LYS A 55 -4.016 -7.678 11.870 1.00 0.00 O ATOM 897 CB LYS A 55 -3.753 -4.456 10.916 1.00 0.00 C ATOM 898 CG LYS A 55 -5.221 -4.525 11.370 1.00 0.00 C ATOM 899 CD LYS A 55 -6.014 -3.256 10.998 1.00 0.00 C ATOM 900 CE LYS A 55 -5.959 -2.887 9.509 1.00 0.00 C ATOM 901 NZ LYS A 55 -6.521 -3.947 8.648 1.00 0.00 N ATOM 0 H LYS A 55 -1.401 -4.697 10.201 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.791 -5.582 12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.323 -3.518 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.725 -4.432 9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.698 -5.394 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.258 -4.669 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.056 -3.396 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.631 -2.419 11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.509 -1.960 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.925 -2.699 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.105 -3.879 7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.301 -4.878 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.553 -3.832 8.584 1.00 0.00 H new ATOM 915 N ARG A 56 -3.415 -7.316 9.718 1.00 0.00 N ATOM 916 CA ARG A 56 -3.862 -8.641 9.246 1.00 0.00 C ATOM 917 C ARG A 56 -3.107 -9.752 9.987 1.00 0.00 C ATOM 918 O ARG A 56 -3.717 -10.673 10.527 1.00 0.00 O ATOM 919 CB ARG A 56 -3.624 -8.780 7.726 1.00 0.00 C ATOM 920 CG ARG A 56 -4.595 -8.000 6.819 1.00 0.00 C ATOM 921 CD ARG A 56 -4.430 -8.360 5.328 1.00 0.00 C ATOM 922 NE ARG A 56 -3.028 -8.297 4.877 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.522 -8.811 3.757 1.00 0.00 C ATOM 924 NH1 ARG A 56 -3.265 -9.346 2.813 1.00 0.00 N ATOM 925 NH2 ARG A 56 -1.219 -8.799 3.577 1.00 0.00 N ATOM 0 H ARG A 56 -3.044 -6.711 8.985 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.929 -8.735 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.608 -8.452 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.682 -9.836 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.620 -8.206 7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.431 -6.931 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.817 -9.364 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.032 -7.679 4.726 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.375 -7.807 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.279 -9.381 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.828 -9.726 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.609 -8.399 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.818 -9.189 2.724 1.00 0.00 H new ATOM 939 N HIS A 57 -1.779 -9.610 10.072 1.00 0.00 N ATOM 940 CA HIS A 57 -0.929 -10.616 10.709 1.00 0.00 C ATOM 941 C HIS A 57 -1.302 -10.802 12.189 1.00 0.00 C ATOM 942 O HIS A 57 -1.328 -11.921 12.687 1.00 0.00 O ATOM 943 CB HIS A 57 0.537 -10.195 10.604 1.00 0.00 C ATOM 944 CG HIS A 57 1.386 -11.166 11.377 1.00 0.00 C ATOM 945 ND1 HIS A 57 1.970 -10.938 12.594 1.00 0.00 N flip ATOM 946 CD2 HIS A 57 1.555 -12.496 11.068 1.00 0.00 C flip ATOM 947 CE1 HIS A 57 2.504 -12.153 13.012 1.00 0.00 C flip ATOM 948 NE2 HIS A 57 2.248 -13.058 12.069 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.271 -8.805 9.706 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.081 -11.564 10.193 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.848 -10.173 9.559 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.667 -9.187 10.997 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.007 -10.051 13.096 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.195 -12.996 10.181 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.032 -12.331 13.937 1.00 0.00 H new ATOM 956 N GLN A 58 -1.656 -9.704 12.861 1.00 0.00 N ATOM 957 CA GLN A 58 -2.067 -9.747 14.262 1.00 0.00 C ATOM 958 C GLN A 58 -3.209 -10.774 14.470 1.00 0.00 C ATOM 959 O GLN A 58 -3.254 -11.474 15.492 1.00 0.00 O ATOM 960 CB GLN A 58 -2.519 -8.354 14.719 1.00 0.00 C ATOM 961 CG GLN A 58 -2.455 -8.251 16.247 1.00 0.00 C ATOM 962 CD GLN A 58 -2.887 -6.880 16.740 1.00 0.00 C ATOM 963 OE1 GLN A 58 -4.056 -6.520 16.661 1.00 0.00 O ATOM 964 NE2 GLN A 58 -1.976 -6.085 17.266 1.00 0.00 N ATOM 0 H GLN A 58 -1.665 -8.770 12.452 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.213 -10.060 14.862 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.883 -7.592 14.269 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.536 -8.163 14.377 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.095 -9.014 16.690 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.438 -8.454 16.582 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.005 -6.392 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.242 -5.163 17.611 1.00 0.00 H new ATOM 973 N ARG A 59 -4.137 -10.850 13.497 1.00 0.00 N ATOM 974 CA ARG A 59 -5.262 -11.801 13.562 1.00 0.00 C ATOM 975 C ARG A 59 -4.761 -13.253 13.746 1.00 0.00 C ATOM 976 O ARG A 59 -5.401 -14.048 14.424 1.00 0.00 O ATOM 977 CB ARG A 59 -6.115 -11.702 12.292 1.00 0.00 C ATOM 978 CG ARG A 59 -6.607 -10.279 11.958 1.00 0.00 C ATOM 979 CD ARG A 59 -7.441 -9.622 13.071 1.00 0.00 C ATOM 980 NE ARG A 59 -6.958 -8.263 13.372 1.00 0.00 N ATOM 981 CZ ARG A 59 -6.307 -7.838 14.452 1.00 0.00 C ATOM 982 NH1 ARG A 59 -6.072 -8.570 15.520 1.00 0.00 N ATOM 983 NH2 ARG A 59 -5.845 -6.612 14.494 1.00 0.00 N ATOM 0 H ARG A 59 -4.130 -10.267 12.660 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.871 -11.538 14.427 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.534 -12.078 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.981 -12.356 12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.743 -9.649 11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.204 -10.318 11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.487 -9.579 12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.395 -10.234 13.972 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.147 -7.557 12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.397 -9.536 15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.565 -8.171 16.310 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.985 -5.987 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.346 -6.283 15.320 1.00 0.00 H new ATOM 997 N ARG A 60 -3.589 -13.570 13.160 1.00 0.00 N ATOM 998 CA ARG A 60 -2.977 -14.917 13.290 1.00 0.00 C ATOM 999 C ARG A 60 -2.731 -15.279 14.769 1.00 0.00 C ATOM 1000 O ARG A 60 -2.850 -16.440 15.152 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.638 -14.958 12.520 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.945 -16.328 12.499 1.00 0.00 C ATOM 1003 CD ARG A 60 0.390 -16.223 11.746 1.00 0.00 C ATOM 1004 NE ARG A 60 1.056 -17.531 11.631 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.068 -17.859 10.831 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.582 -17.035 9.940 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.591 -19.062 10.906 1.00 0.00 N ATOM 0 H ARG A 60 -3.046 -12.918 12.594 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.670 -15.646 12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.817 -14.642 11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.958 -14.230 12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.772 -16.674 13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.588 -17.064 12.017 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.215 -15.815 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.047 -15.525 12.265 1.00 0.00 H new ATOM 0 HE ARG A 60 0.700 -18.272 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.204 -16.093 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.358 -17.339 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.221 -19.738 11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.367 -19.320 10.296 1.00 0.00 H new ATOM 1021 N HIS A 61 -2.375 -14.278 15.585 1.00 0.00 N ATOM 1022 CA HIS A 61 -2.056 -14.505 17.005 1.00 0.00 C ATOM 1023 C HIS A 61 -3.296 -14.321 17.887 1.00 0.00 C ATOM 1024 O HIS A 61 -3.462 -15.016 18.885 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.962 -13.529 17.455 1.00 0.00 C ATOM 1026 CG HIS A 61 0.394 -13.859 16.896 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.090 -15.027 17.122 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.192 -13.027 16.158 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.292 -14.896 16.535 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.395 -13.699 15.952 1.00 0.00 N ATOM 0 H HIS A 61 -2.300 -13.305 15.289 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.704 -15.531 17.112 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.237 -12.519 17.150 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.909 -13.530 18.544 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.755 -15.840 17.639 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.938 -12.039 15.803 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.064 -15.651 16.535 1.00 0.00 H new ATOM 1038 N THR A 62 -4.137 -13.348 17.532 1.00 0.00 N ATOM 1039 CA THR A 62 -5.323 -13.005 18.339 1.00 0.00 C ATOM 1040 C THR A 62 -6.495 -13.966 18.051 1.00 0.00 C ATOM 1041 O THR A 62 -7.434 -14.056 18.838 1.00 0.00 O ATOM 1042 CB THR A 62 -5.782 -11.568 18.048 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.967 -11.368 16.673 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.733 -10.541 18.465 1.00 0.00 C ATOM 0 H THR A 62 -4.024 -12.780 16.692 1.00 0.00 H new ATOM 0 HA THR A 62 -5.034 -13.096 19.386 1.00 0.00 H new ATOM 0 HB THR A 62 -6.707 -11.438 18.609 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.096 -11.247 16.240 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.097 -9.538 18.242 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.543 -10.629 19.535 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.809 -10.722 17.916 1.00 0.00 H new ATOM 1052 N GLY A 63 -6.439 -14.661 16.901 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.509 -15.596 16.510 1.00 0.00 C ATOM 1054 C GLY A 63 -8.787 -14.869 16.046 1.00 0.00 C ATOM 1055 O GLY A 63 -9.803 -15.504 15.768 1.00 0.00 O ATOM 0 H GLY A 63 -5.672 -14.594 16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.149 -16.240 15.707 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.749 -16.243 17.354 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.726 -13.531 15.987 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.895 -12.705 15.659 1.00 0.00 C ATOM 1061 C VAL A 64 -10.316 -12.907 14.188 1.00 0.00 C ATOM 1062 O VAL A 64 -9.588 -12.534 13.260 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.570 -11.215 15.924 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -10.549 -10.196 15.331 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -9.542 -10.983 17.443 1.00 0.00 C ATOM 0 H VAL A 64 -7.875 -12.997 16.163 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.727 -13.011 16.293 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.614 -11.046 15.429 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.220 -9.187 15.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.580 -10.310 14.247 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.544 -10.365 15.743 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.314 -9.937 17.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.515 -11.232 17.867 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.777 -11.616 17.894 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.505 -13.507 13.995 1.00 0.00 N ATOM 1076 CA LYS A 65 -12.067 -13.751 12.650 1.00 0.00 C ATOM 1077 C LYS A 65 -13.443 -13.060 12.510 1.00 0.00 C ATOM 1078 O LYS A 65 -14.483 -13.687 12.714 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.221 -15.268 12.410 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.902 -16.043 12.337 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.118 -17.558 12.461 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.773 -18.281 12.593 1.00 0.00 C ATOM 1083 NZ LYS A 65 -9.165 -18.052 13.922 1.00 0.00 N ATOM 0 H LYS A 65 -12.099 -13.834 14.757 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.385 -13.336 11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.830 -15.688 13.211 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.768 -15.421 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.404 -15.824 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.238 -15.705 13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.740 -17.773 13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.653 -17.928 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.916 -19.350 12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.093 -17.933 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.183 -17.732 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.707 -17.325 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.177 -18.938 14.467 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.452 -11.739 12.223 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.679 -10.952 12.176 1.00 0.00 C ATOM 1099 C PRO A 66 -15.427 -11.096 10.840 1.00 0.00 C ATOM 1100 O PRO A 66 -16.641 -10.880 10.776 1.00 0.00 O ATOM 1101 CB PRO A 66 -14.189 -9.513 12.370 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.802 -9.506 11.725 1.00 0.00 C ATOM 1103 CD PRO A 66 -12.276 -10.914 12.004 1.00 0.00 C ATOM 0 HA PRO A 66 -15.396 -11.277 12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.856 -8.796 11.891 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.140 -9.247 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.857 -9.302 10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.159 -8.742 12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.688 -11.286 11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.624 -10.922 12.878 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.699 -11.479 9.776 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.291 -11.610 8.443 1.00 0.00 C ATOM 1113 C PHE A 67 -16.071 -12.935 8.322 1.00 0.00 C ATOM 1114 O PHE A 67 -15.569 -13.910 7.779 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.182 -11.549 7.362 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.432 -10.231 7.251 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.946 -9.173 6.476 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.195 -10.072 7.902 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.251 -7.953 6.399 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.483 -8.865 7.801 1.00 0.00 C ATOM 1121 CZ PHE A 67 -12.017 -7.800 7.055 1.00 0.00 C ATOM 0 H PHE A 67 -13.704 -11.701 9.818 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.986 -10.784 8.291 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.460 -12.339 7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.633 -11.771 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.875 -9.299 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.789 -10.885 8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.666 -7.131 5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.529 -8.756 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.480 -6.865 6.986 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.267 -12.980 8.918 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.084 -14.205 8.913 1.00 0.00 C ATOM 1133 C GLN A 68 -19.032 -14.230 7.707 1.00 0.00 C ATOM 1134 O GLN A 68 -19.612 -13.208 7.332 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.893 -14.293 10.219 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.743 -13.066 10.596 1.00 0.00 C ATOM 1137 CD GLN A 68 -19.583 -12.725 12.078 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.233 -13.292 12.942 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -18.673 -11.836 12.435 1.00 0.00 N ATOM 0 H GLN A 68 -17.691 -12.191 9.407 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.417 -15.064 8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.555 -15.156 10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.198 -14.488 11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.445 -12.212 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.792 -13.264 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.123 -11.355 11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.520 -11.631 13.422 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.140 -15.406 7.076 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.907 -15.560 5.841 1.00 0.00 C ATOM 1150 C CYS A 69 -21.412 -15.295 6.073 1.00 0.00 C ATOM 1151 O CYS A 69 -22.037 -15.884 6.963 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.713 -16.977 5.286 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.801 -17.243 3.866 1.00 0.00 S ATOM 0 H CYS A 69 -18.702 -16.266 7.405 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.541 -14.826 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.674 -17.121 4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.928 -17.712 6.061 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.089 -17.307 2.780 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.989 -14.431 5.227 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.431 -14.130 5.265 1.00 0.00 C ATOM 1160 C LYS A 70 -24.290 -15.369 4.877 1.00 0.00 C ATOM 1161 O LYS A 70 -25.517 -15.303 4.897 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.743 -12.959 4.304 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.516 -13.158 2.785 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.048 -13.143 2.309 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.518 -14.562 2.079 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.045 -14.610 1.958 1.00 0.00 N ATOM 0 H LYS A 70 -21.478 -13.925 4.504 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.688 -13.853 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.788 -12.684 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.142 -12.106 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.961 -14.109 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -24.057 -12.376 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.970 -12.570 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.429 -12.638 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.831 -15.200 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.966 -14.970 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.678 -15.420 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.782 -14.714 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.637 -13.730 2.333 1.00 0.00 H new ATOM 1180 N THR A 71 -23.627 -16.487 4.532 1.00 0.00 N ATOM 1181 CA THR A 71 -24.320 -17.723 4.122 1.00 0.00 C ATOM 1182 C THR A 71 -24.169 -18.816 5.197 1.00 0.00 C ATOM 1183 O THR A 71 -25.149 -19.197 5.835 1.00 0.00 O ATOM 1184 CB THR A 71 -23.760 -18.260 2.773 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.954 -17.319 2.101 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.878 -18.661 1.815 1.00 0.00 C ATOM 0 H THR A 71 -22.610 -16.561 4.529 1.00 0.00 H new ATOM 0 HA THR A 71 -25.375 -17.477 3.998 1.00 0.00 H new ATOM 0 HB THR A 71 -23.158 -19.126 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.109 -17.208 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.445 -19.030 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.483 -19.445 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.505 -17.795 1.604 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.929 -19.314 5.388 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.667 -20.448 6.300 1.00 0.00 C ATOM 1196 C CYS A 72 -21.924 -19.989 7.583 1.00 0.00 C ATOM 1197 O CYS A 72 -21.576 -20.811 8.434 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.831 -21.502 5.574 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.243 -20.767 5.119 1.00 0.00 S ATOM 0 H CYS A 72 -22.096 -18.950 4.925 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.626 -20.870 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.676 -22.370 6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.354 -21.853 4.684 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.439 -19.580 4.627 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.710 -18.667 7.711 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.069 -18.065 8.906 1.00 0.00 C ATOM 1206 C GLN A 73 -19.607 -18.551 9.083 1.00 0.00 C ATOM 1207 O GLN A 73 -18.992 -18.303 10.122 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.902 -18.368 10.180 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.160 -17.476 10.251 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.257 -17.851 9.256 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -25.132 -18.648 9.555 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.273 -17.284 8.062 1.00 0.00 N ATOM 0 H GLN A 73 -21.972 -17.986 6.998 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.038 -16.986 8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.197 -19.417 10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.288 -18.206 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.569 -17.526 11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.867 -16.441 10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.546 -16.617 7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.013 -17.513 7.398 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.028 -19.139 8.017 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.587 -19.444 7.979 1.00 0.00 C ATOM 1223 C ARG A 74 -16.779 -18.189 8.284 1.00 0.00 C ATOM 1224 O ARG A 74 -16.848 -17.207 7.543 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.194 -19.979 6.582 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.857 -21.480 6.537 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.355 -21.747 6.328 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.503 -21.004 7.284 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.480 -21.454 7.999 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.053 -22.697 7.934 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.860 -20.649 8.833 1.00 0.00 N ATOM 0 H ARG A 74 -19.535 -19.411 7.175 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.372 -20.204 8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.013 -19.784 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.332 -19.417 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.179 -21.948 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.421 -21.951 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.163 -22.815 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.079 -21.470 5.311 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.732 -20.018 7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.513 -23.363 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.262 -22.995 8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.166 -19.681 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.073 -20.993 9.384 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.107 -18.178 9.440 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.437 -16.968 9.912 1.00 0.00 C ATOM 1247 C LYS A 75 -14.017 -16.877 9.361 1.00 0.00 C ATOM 1248 O LYS A 75 -13.276 -17.863 9.342 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.403 -16.953 11.451 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.827 -16.993 12.032 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.991 -16.183 13.323 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.468 -16.195 13.729 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.727 -15.289 14.866 1.00 0.00 N ATOM 0 H LYS A 75 -16.015 -18.984 10.058 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.999 -16.106 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.833 -17.808 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.889 -16.057 11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.525 -16.614 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.101 -18.030 12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.378 -16.610 14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.649 -15.159 13.172 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.082 -15.897 12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.764 -17.209 13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.305 -15.781 15.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.824 -15.001 15.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.235 -14.446 14.530 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.648 -15.672 8.919 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.336 -15.404 8.347 1.00 0.00 C ATOM 1269 C PHE A 76 -11.712 -14.160 8.997 1.00 0.00 C ATOM 1270 O PHE A 76 -12.418 -13.325 9.571 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.470 -15.176 6.820 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.080 -16.330 6.052 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.325 -17.490 5.794 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.418 -16.254 5.618 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.910 -18.572 5.114 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.006 -17.343 4.959 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.252 -18.502 4.706 1.00 0.00 C ATOM 0 H PHE A 76 -14.257 -14.855 8.950 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.691 -16.262 8.535 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.077 -14.286 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.481 -14.969 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.297 -17.548 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.992 -15.356 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.328 -19.457 4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.038 -17.291 4.646 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.705 -19.340 4.197 1.00 0.00 H new ATOM 1287 N SER A 77 -10.388 -14.026 8.868 1.00 0.00 N ATOM 1288 CA SER A 77 -9.667 -12.856 9.399 1.00 0.00 C ATOM 1289 C SER A 77 -9.245 -11.902 8.269 1.00 0.00 C ATOM 1290 O SER A 77 -8.629 -10.869 8.524 1.00 0.00 O ATOM 1291 CB SER A 77 -8.420 -13.316 10.160 1.00 0.00 C ATOM 1292 OG SER A 77 -8.732 -14.009 11.346 1.00 0.00 O ATOM 0 H SER A 77 -9.792 -14.710 8.402 1.00 0.00 H new ATOM 0 HA SER A 77 -10.340 -12.323 10.071 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.822 -13.960 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.806 -12.448 10.402 1.00 0.00 H new ATOM 0 HG SER A 77 -9.251 -13.426 11.939 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.578 -12.264 7.019 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.187 -11.475 5.846 1.00 0.00 C ATOM 1300 C ARG A 78 -10.376 -11.281 4.904 1.00 0.00 C ATOM 1301 O ARG A 78 -11.096 -12.232 4.585 1.00 0.00 O ATOM 1302 CB ARG A 78 -8.037 -12.182 5.102 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.689 -11.871 5.780 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.522 -12.763 5.342 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.235 -12.688 3.900 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.067 -12.925 3.312 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.963 -13.119 3.998 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.020 -12.958 2.000 1.00 0.00 N ATOM 0 H ARG A 78 -10.118 -13.100 6.798 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.851 -10.494 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.208 -13.259 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.013 -11.855 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.429 -10.832 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.812 -11.964 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.629 -12.478 5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.746 -13.796 5.607 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.011 -12.428 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.984 -13.090 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.085 -13.298 3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.868 -12.804 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.135 -13.138 1.526 1.00 0.00 H new ATOM 1322 N SER A 79 -10.540 -10.047 4.423 1.00 0.00 N ATOM 1323 CA SER A 79 -11.609 -9.715 3.479 1.00 0.00 C ATOM 1324 C SER A 79 -11.396 -10.436 2.139 1.00 0.00 C ATOM 1325 O SER A 79 -12.344 -10.916 1.532 1.00 0.00 O ATOM 1326 CB SER A 79 -11.650 -8.202 3.252 1.00 0.00 C ATOM 1327 OG SER A 79 -10.363 -7.719 2.904 1.00 0.00 O ATOM 0 H SER A 79 -9.944 -9.258 4.673 1.00 0.00 H new ATOM 0 HA SER A 79 -12.558 -10.045 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.360 -7.966 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.001 -7.702 4.155 1.00 0.00 H new ATOM 0 HG SER A 79 -10.405 -6.751 2.760 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.135 -10.513 1.695 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.789 -11.188 0.435 1.00 0.00 C ATOM 1335 C ASP A 80 -10.100 -12.722 0.509 1.00 0.00 C ATOM 1336 O ASP A 80 -10.591 -13.307 -0.460 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.301 -10.954 0.111 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.316 -11.358 1.208 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.069 -10.514 2.096 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.815 -12.505 1.156 1.00 0.00 O ATOM 0 H ASP A 80 -9.336 -10.116 2.189 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.400 -10.765 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.054 -11.506 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.157 -9.896 -0.110 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.911 -13.324 1.704 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.335 -14.731 1.945 1.00 0.00 C ATOM 1347 C HIS A 81 -11.865 -14.847 1.915 1.00 0.00 C ATOM 1348 O HIS A 81 -12.404 -15.788 1.347 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.817 -15.239 3.307 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.369 -15.573 3.449 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.391 -15.429 2.508 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.782 -15.978 4.613 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.236 -15.743 3.108 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.415 -16.010 4.406 1.00 0.00 N ATOM 0 H HIS A 81 -9.476 -12.871 2.508 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.908 -15.343 1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.055 -14.481 4.054 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.388 -16.131 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.293 -16.228 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.280 -15.776 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.692 -16.198 5.100 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.560 -13.883 2.543 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.031 -13.896 2.591 1.00 0.00 C ATOM 1364 C LEU A 82 -14.630 -13.707 1.186 1.00 0.00 C ATOM 1365 O LEU A 82 -15.534 -14.436 0.790 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.540 -12.792 3.525 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.089 -12.790 3.585 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.559 -12.584 5.015 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.735 -11.714 2.704 1.00 0.00 C ATOM 0 H LEU A 82 -12.130 -13.091 3.021 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.348 -14.866 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.133 -12.940 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.184 -11.822 3.177 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.401 -13.762 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.649 -12.585 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.179 -13.390 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.187 -11.629 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.820 -11.772 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.396 -10.729 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.450 -11.875 1.664 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.113 -12.723 0.437 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.555 -12.476 -0.946 1.00 0.00 C ATOM 1383 C LYS A 83 -14.223 -13.679 -1.837 1.00 0.00 C ATOM 1384 O LYS A 83 -14.990 -14.028 -2.725 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.869 -11.211 -1.495 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.446 -10.777 -2.853 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.861 -9.437 -3.315 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.521 -9.021 -4.633 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.006 -7.723 -5.112 1.00 0.00 N ATOM 0 H LYS A 83 -13.388 -12.084 0.764 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.635 -12.329 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.983 -10.398 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.800 -11.396 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.235 -11.543 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.530 -10.694 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.028 -8.674 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.783 -9.525 -3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.341 -9.786 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.600 -8.957 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.474 -7.472 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.200 -6.989 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.980 -7.792 -5.266 1.00 0.00 H new ATOM 1403 N THR A 84 -13.097 -14.338 -1.550 1.00 0.00 N ATOM 1404 CA THR A 84 -12.716 -15.564 -2.254 1.00 0.00 C ATOM 1405 C THR A 84 -13.697 -16.710 -1.923 1.00 0.00 C ATOM 1406 O THR A 84 -14.323 -17.278 -2.820 1.00 0.00 O ATOM 1407 CB THR A 84 -11.296 -15.988 -1.837 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.384 -15.039 -2.333 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.811 -17.367 -2.227 1.00 0.00 C ATOM 0 H THR A 84 -12.433 -14.042 -0.834 1.00 0.00 H new ATOM 0 HA THR A 84 -12.746 -15.364 -3.325 1.00 0.00 H new ATOM 0 HB THR A 84 -11.353 -16.036 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.601 -14.155 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.795 -17.512 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.466 -18.120 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.822 -17.463 -3.313 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.951 -16.914 -0.621 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.898 -17.935 -0.154 1.00 0.00 C ATOM 1419 C HIS A 85 -16.321 -17.628 -0.647 1.00 0.00 C ATOM 1420 O HIS A 85 -17.079 -18.532 -0.978 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.879 -17.990 1.380 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.077 -18.688 1.961 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.355 -20.037 1.908 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.163 -18.057 2.495 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.600 -20.211 2.380 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.111 -19.035 2.759 1.00 0.00 N ATOM 0 H HIS A 85 -13.511 -16.382 0.129 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.596 -18.901 -0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.974 -18.501 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.832 -16.975 1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.265 -16.997 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.112 -21.160 2.444 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.033 -18.884 3.169 1.00 0.00 H new ATOM 1434 N THR A 86 -16.638 -16.345 -0.767 1.00 0.00 N ATOM 1435 CA THR A 86 -17.933 -15.896 -1.279 1.00 0.00 C ATOM 1436 C THR A 86 -18.222 -16.528 -2.655 1.00 0.00 C ATOM 1437 O THR A 86 -19.352 -16.951 -2.928 1.00 0.00 O ATOM 1438 CB THR A 86 -17.969 -14.361 -1.399 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.870 -13.826 -0.095 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.211 -13.722 -1.995 1.00 0.00 C ATOM 0 H THR A 86 -16.007 -15.584 -0.513 1.00 0.00 H new ATOM 0 HA THR A 86 -18.700 -16.214 -0.573 1.00 0.00 H new ATOM 0 HB THR A 86 -17.152 -14.138 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.932 -13.824 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.089 -12.639 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.357 -14.089 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.079 -13.979 -1.388 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.188 -16.605 -3.520 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.349 -17.171 -4.876 1.00 0.00 C ATOM 1450 C ARG A 87 -17.774 -18.659 -4.821 1.00 0.00 C ATOM 1451 O ARG A 87 -18.436 -19.150 -5.733 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.038 -17.046 -5.654 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.565 -15.597 -5.827 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.343 -15.530 -6.743 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.966 -14.136 -7.004 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.754 -13.605 -6.964 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -11.660 -14.319 -6.796 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -12.626 -12.307 -7.116 1.00 0.00 N ATOM 0 H ARG A 87 -16.243 -16.286 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.134 -16.608 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.263 -17.614 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.164 -17.499 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.371 -14.994 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.319 -15.171 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.508 -16.058 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.560 -16.036 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.728 -13.501 -7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.723 -15.331 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.750 -13.859 -6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.452 -11.727 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.701 -11.879 -7.088 1.00 0.00 H new ATOM 1472 N THR A 88 -17.449 -19.341 -3.708 1.00 0.00 N ATOM 1473 CA THR A 88 -17.847 -20.761 -3.512 1.00 0.00 C ATOM 1474 C THR A 88 -19.380 -20.893 -3.402 1.00 0.00 C ATOM 1475 O THR A 88 -19.949 -21.898 -3.819 1.00 0.00 O ATOM 1476 CB THR A 88 -17.204 -21.369 -2.245 1.00 0.00 C ATOM 1477 OG1 THR A 88 -17.766 -20.900 -1.048 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.684 -21.211 -2.178 1.00 0.00 C ATOM 0 H THR A 88 -16.917 -18.943 -2.934 1.00 0.00 H new ATOM 0 HA THR A 88 -17.490 -21.308 -4.385 1.00 0.00 H new ATOM 0 HB THR A 88 -17.430 -22.431 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.261 -20.122 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.311 -21.664 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.229 -21.705 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.427 -20.152 -2.190 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.045 -19.833 -2.902 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.517 -19.787 -2.853 1.00 0.00 C ATOM 1488 C HIS A 89 -22.086 -19.064 -4.085 1.00 0.00 C ATOM 1489 O HIS A 89 -23.250 -19.239 -4.432 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.974 -19.060 -1.581 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.676 -19.782 -0.296 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.103 -21.047 0.046 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.019 -19.256 0.782 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.708 -21.274 1.312 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.057 -20.210 1.793 1.00 0.00 N ATOM 0 H HIS A 89 -19.587 -19.002 -2.528 1.00 0.00 H new ATOM 0 HA HIS A 89 -21.889 -20.812 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.497 -18.080 -1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.049 -18.890 -1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.557 -18.281 0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.891 -22.186 1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.661 -20.115 2.728 1.00 0.00 H new ATOM 1503 N THR A 90 -21.266 -18.196 -4.693 1.00 0.00 N ATOM 1504 CA THR A 90 -21.742 -17.285 -5.746 1.00 0.00 C ATOM 1505 C THR A 90 -21.573 -17.905 -7.152 1.00 0.00 C ATOM 1506 O THR A 90 -22.046 -17.347 -8.136 1.00 0.00 O ATOM 1507 CB THR A 90 -20.958 -15.955 -5.698 1.00 0.00 C ATOM 1508 OG1 THR A 90 -20.937 -15.465 -4.374 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.512 -14.805 -6.534 1.00 0.00 C ATOM 0 H THR A 90 -20.274 -18.105 -4.476 1.00 0.00 H new ATOM 0 HA THR A 90 -22.801 -17.106 -5.563 1.00 0.00 H new ATOM 0 HB THR A 90 -19.985 -16.228 -6.106 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.240 -15.928 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.874 -13.929 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.536 -15.097 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.522 -14.566 -6.200 1.00 0.00 H new ATOM 1517 N GLY A 91 -20.923 -19.081 -7.228 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.680 -19.737 -8.528 1.00 0.00 C ATOM 1519 C GLY A 91 -19.751 -18.907 -9.441 1.00 0.00 C ATOM 1520 O GLY A 91 -19.666 -19.155 -10.642 1.00 0.00 O ATOM 0 H GLY A 91 -20.562 -19.590 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.237 -20.719 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.632 -19.899 -9.034 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.082 -17.906 -8.858 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.262 -16.967 -9.619 1.00 0.00 C ATOM 1526 C GLU A 92 -16.896 -17.589 -9.964 1.00 0.00 C ATOM 1527 O GLU A 92 -15.938 -17.473 -9.199 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.068 -15.674 -8.802 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.299 -14.554 -9.519 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.344 -13.253 -8.711 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.424 -12.623 -8.703 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.302 -12.907 -8.106 1.00 0.00 O ATOM 0 H GLU A 92 -19.095 -17.728 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.772 -16.732 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.049 -15.294 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.541 -15.922 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.263 -14.858 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.729 -14.388 -10.507 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.820 -18.238 -11.137 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.566 -18.840 -11.626 1.00 0.00 C ATOM 1541 C LYS A 93 -15.119 -18.169 -12.946 1.00 0.00 C ATOM 1542 O LYS A 93 -15.351 -18.704 -14.031 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.761 -20.353 -11.849 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.853 -21.169 -10.554 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.240 -22.621 -10.881 1.00 0.00 C ATOM 1546 CE LYS A 93 -15.850 -23.613 -9.780 1.00 0.00 C ATOM 1547 NZ LYS A 93 -14.386 -23.804 -9.717 1.00 0.00 N ATOM 0 H LYS A 93 -17.613 -18.360 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.791 -18.683 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.670 -20.510 -12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.931 -20.731 -12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.897 -21.147 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.593 -20.727 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.316 -22.675 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.760 -22.917 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.213 -23.251 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.335 -24.571 -9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.175 -24.741 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.986 -23.738 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.966 -23.068 -9.114 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.503 -16.968 -12.861 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.092 -16.210 -14.036 1.00 0.00 C ATOM 1563 C PRO A 94 -12.763 -16.710 -14.637 1.00 0.00 C ATOM 1564 O PRO A 94 -12.501 -16.505 -15.823 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.939 -14.779 -13.507 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.497 -14.969 -12.055 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.244 -16.233 -11.632 1.00 0.00 C ATOM 0 HA PRO A 94 -14.815 -16.305 -14.846 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.200 -14.218 -14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.877 -14.227 -13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.417 -15.092 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.767 -14.114 -11.435 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.648 -16.827 -10.939 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.174 -15.985 -11.121 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.924 -17.363 -13.810 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.593 -17.808 -14.256 1.00 0.00 C ATOM 1577 C PHE A 95 -10.699 -19.082 -15.116 1.00 0.00 C ATOM 1578 O PHE A 95 -10.416 -20.186 -14.651 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.685 -18.065 -13.045 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.438 -16.841 -12.194 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.503 -15.868 -12.597 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.161 -16.667 -11.005 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.289 -14.725 -11.805 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -9.958 -15.518 -10.218 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.022 -14.548 -10.617 1.00 0.00 C ATOM 0 H PHE A 95 -12.142 -17.591 -12.840 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.157 -17.017 -14.866 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.133 -18.842 -12.425 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.728 -18.450 -13.396 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.950 -15.999 -13.515 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.874 -17.415 -10.693 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.563 -13.985 -12.108 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.522 -15.381 -9.307 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.866 -13.667 -10.012 1.00 0.00 H new ATOM 1595 N SER A 96 -11.102 -18.907 -16.375 1.00 0.00 N ATOM 1596 CA SER A 96 -11.203 -20.019 -17.334 1.00 0.00 C ATOM 1597 C SER A 96 -9.834 -20.337 -17.936 1.00 0.00 C ATOM 1598 O SER A 96 -9.034 -19.432 -18.189 1.00 0.00 O ATOM 1599 CB SER A 96 -12.178 -19.648 -18.457 1.00 0.00 C ATOM 1600 OG SER A 96 -13.415 -19.183 -17.941 1.00 0.00 O ATOM 0 H SER A 96 -11.367 -18.001 -16.761 1.00 0.00 H new ATOM 0 HA SER A 96 -11.568 -20.899 -16.805 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.733 -18.878 -19.087 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.351 -20.517 -19.091 1.00 0.00 H new ATOM 0 HG SER A 96 -13.952 -18.805 -18.669 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.586 -21.623 -18.204 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.321 -22.058 -18.792 1.00 0.00 C ATOM 1608 C CYS A 97 -8.212 -21.608 -20.255 1.00 0.00 C ATOM 1609 O CYS A 97 -9.218 -21.283 -20.901 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.203 -23.582 -18.709 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.528 -24.188 -19.006 1.00 0.00 S ATOM 0 H CYS A 97 -10.246 -22.379 -18.022 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.508 -21.600 -18.229 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.531 -23.911 -17.723 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.879 -24.032 -19.437 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.806 -24.007 -17.940 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.974 -21.569 -20.757 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.686 -21.085 -22.114 1.00 0.00 C ATOM 1618 C ARG A 98 -5.865 -22.117 -22.901 1.00 0.00 C ATOM 1619 O ARG A 98 -5.293 -21.800 -23.944 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.914 -19.751 -22.041 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.533 -18.634 -21.173 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.991 -18.246 -21.469 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.260 -18.032 -22.904 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.089 -18.723 -23.685 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -9.773 -19.774 -23.281 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -9.245 -18.355 -24.937 1.00 0.00 N ATOM 0 H ARG A 98 -6.148 -21.869 -20.240 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.633 -20.931 -22.631 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.913 -19.958 -21.664 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.800 -19.369 -23.055 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.470 -18.942 -20.129 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.917 -17.741 -21.280 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.651 -19.029 -21.096 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.236 -17.336 -20.921 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.753 -17.267 -23.349 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.684 -20.102 -22.319 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.392 -20.260 -23.930 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.735 -17.550 -25.299 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.876 -18.875 -25.546 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.810 -23.353 -22.388 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.097 -24.438 -23.056 1.00 0.00 C ATOM 1642 C TRP A 99 -5.774 -24.786 -24.412 1.00 0.00 C ATOM 1643 O TRP A 99 -6.924 -24.411 -24.653 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.063 -25.675 -22.140 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.852 -25.661 -21.248 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.571 -24.696 -20.346 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.710 -26.575 -21.211 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.359 -24.947 -19.740 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.773 -26.084 -20.251 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.357 -27.761 -21.894 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.547 -26.720 -19.994 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.135 -28.414 -21.640 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.229 -27.892 -20.699 1.00 0.00 C ATOM 0 H TRP A 99 -6.254 -23.622 -21.510 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.076 -24.116 -23.260 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.966 -25.704 -21.530 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.060 -26.580 -22.747 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.205 -23.849 -20.130 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.949 -24.366 -19.008 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.037 -28.174 -22.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.140 -26.314 -19.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.892 -29.322 -22.172 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.711 -28.393 -20.519 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.033 -25.472 -25.324 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.486 -25.724 -26.704 1.00 0.00 C ATOM 1666 C PRO A 100 -6.912 -26.304 -26.788 1.00 0.00 C ATOM 1667 O PRO A 100 -7.637 -26.037 -27.744 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.460 -26.729 -27.241 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.174 -26.342 -26.510 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.663 -25.929 -25.121 1.00 0.00 C ATOM 0 HA PRO A 100 -5.541 -24.798 -27.276 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.752 -27.757 -27.025 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.347 -26.650 -28.322 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.475 -27.177 -26.458 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.657 -25.525 -27.013 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.625 -26.766 -24.424 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.041 -25.138 -24.703 1.00 0.00 H new ATOM 1678 N SER A 101 -7.299 -27.099 -25.783 1.00 0.00 N ATOM 1679 CA SER A 101 -8.641 -27.679 -25.724 1.00 0.00 C ATOM 1680 C SER A 101 -9.107 -27.815 -24.265 1.00 0.00 C ATOM 1681 O SER A 101 -8.985 -28.886 -23.661 1.00 0.00 O ATOM 1682 CB SER A 101 -8.650 -29.057 -26.412 1.00 0.00 C ATOM 1683 OG SER A 101 -7.848 -29.982 -25.706 1.00 0.00 O ATOM 0 H SER A 101 -6.698 -27.354 -24.999 1.00 0.00 H new ATOM 0 HA SER A 101 -9.329 -27.015 -26.247 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.672 -29.430 -26.474 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.284 -28.959 -27.434 1.00 0.00 H new ATOM 0 HG SER A 101 -7.989 -29.869 -24.743 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.617 -26.712 -23.703 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.102 -26.700 -22.327 1.00 0.00 C ATOM 1691 C CYS A 102 -11.260 -25.700 -22.157 1.00 0.00 C ATOM 1692 O CYS A 102 -11.364 -24.714 -22.896 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.958 -26.329 -21.379 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.562 -26.445 -19.679 1.00 0.00 S ATOM 0 H CYS A 102 -9.702 -25.817 -24.185 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.471 -27.697 -22.086 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.111 -26.999 -21.527 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.605 -25.319 -21.588 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.555 -26.596 -18.870 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.097 -25.952 -21.144 1.00 0.00 N ATOM 1700 CA GLN A 103 -13.170 -25.032 -20.750 1.00 0.00 C ATOM 1701 C GLN A 103 -13.372 -25.063 -19.214 1.00 0.00 C ATOM 1702 O GLN A 103 -14.440 -24.708 -18.711 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.492 -25.425 -21.461 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.577 -25.047 -22.947 1.00 0.00 C ATOM 1705 CD GLN A 103 -14.559 -23.534 -23.156 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -15.580 -22.864 -23.106 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -13.398 -22.943 -23.361 1.00 0.00 N ATOM 0 H GLN A 103 -12.050 -26.798 -20.575 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.888 -24.022 -21.047 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.628 -26.503 -21.369 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -15.322 -24.953 -20.935 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.742 -25.497 -23.484 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.490 -25.461 -23.374 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.543 -23.498 -23.403 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.355 -21.931 -23.477 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.323 -25.481 -18.476 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.385 -25.547 -17.014 1.00 0.00 C ATOM 1718 C LYS A 104 -12.211 -24.159 -16.422 1.00 0.00 C ATOM 1719 O LYS A 104 -11.417 -23.358 -16.919 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.285 -26.489 -16.473 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.681 -27.982 -16.510 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.504 -28.704 -17.856 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.043 -29.111 -18.077 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.802 -29.593 -19.449 1.00 0.00 N ATOM 0 H LYS A 104 -11.430 -25.775 -18.872 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.360 -25.939 -16.724 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.376 -26.347 -17.058 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.050 -26.209 -15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.093 -28.510 -15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.726 -28.066 -16.213 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.139 -29.589 -17.883 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.830 -28.053 -18.667 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.395 -28.258 -17.874 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.774 -29.892 -17.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.969 -30.216 -19.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.633 -30.122 -19.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.633 -28.782 -20.077 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.013 -23.850 -15.397 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.062 -22.503 -14.832 1.00 0.00 C ATOM 1740 C LYS A 105 -12.877 -22.539 -13.324 1.00 0.00 C ATOM 1741 O LYS A 105 -13.363 -23.448 -12.648 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.408 -21.839 -15.177 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.757 -21.973 -16.668 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.933 -21.090 -17.103 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.035 -21.055 -18.634 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.309 -22.388 -19.217 1.00 0.00 N ATOM 0 H LYS A 105 -13.637 -24.518 -14.943 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.248 -21.921 -15.264 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.198 -22.292 -14.579 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.370 -20.783 -14.908 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.880 -21.716 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.995 -23.014 -16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.861 -21.473 -16.679 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.800 -20.079 -16.717 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.827 -20.365 -18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.105 -20.666 -19.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.385 -22.306 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.533 -23.038 -18.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.202 -22.758 -18.833 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.179 -21.533 -12.800 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.872 -21.456 -11.372 1.00 0.00 C ATOM 1762 C PHE A 106 -12.259 -20.102 -10.804 1.00 0.00 C ATOM 1763 O PHE A 106 -12.460 -19.138 -11.545 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.373 -21.706 -11.149 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.984 -23.073 -11.667 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.230 -24.220 -10.888 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.556 -23.210 -12.999 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.078 -25.498 -11.453 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.436 -24.483 -13.575 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.705 -25.628 -12.803 1.00 0.00 C ATOM 0 H PHE A 106 -11.813 -20.754 -13.347 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.451 -22.221 -10.855 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.790 -20.938 -11.657 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.140 -21.633 -10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.535 -24.118 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.319 -22.332 -13.581 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.247 -26.379 -10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.138 -24.584 -14.608 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.625 -26.609 -13.248 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.369 -20.036 -9.478 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.759 -18.811 -8.795 1.00 0.00 C ATOM 1782 C ALA A 107 -11.534 -18.089 -8.215 1.00 0.00 C ATOM 1783 O ALA A 107 -11.659 -17.017 -7.620 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.747 -19.151 -7.674 1.00 0.00 C ATOM 0 H ALA A 107 -12.191 -20.824 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.233 -18.144 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.042 -18.237 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.629 -19.629 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.273 -19.830 -6.965 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.344 -18.674 -8.417 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.097 -18.086 -7.947 1.00 0.00 C ATOM 1792 C ARG A 108 -8.025 -18.161 -9.037 1.00 0.00 C ATOM 1793 O ARG A 108 -7.872 -19.188 -9.711 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.617 -18.820 -6.692 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.531 -18.625 -5.468 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.369 -19.755 -4.446 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.967 -19.922 -4.049 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.539 -20.466 -2.922 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.386 -20.795 -1.982 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.257 -20.675 -2.782 1.00 0.00 N ATOM 0 H ARG A 108 -10.227 -19.561 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.274 -17.038 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.543 -19.885 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.613 -18.475 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.303 -17.671 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.570 -18.578 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.975 -19.541 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.742 -20.687 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.258 -19.588 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.384 -20.633 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.049 -21.214 -1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.614 -20.420 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.899 -21.093 -1.923 1.00 0.00 H new ATOM 1814 N SER A 109 -7.273 -17.073 -9.189 1.00 0.00 N ATOM 1815 CA SER A 109 -6.209 -16.998 -10.184 1.00 0.00 C ATOM 1816 C SER A 109 -5.190 -18.125 -9.974 1.00 0.00 C ATOM 1817 O SER A 109 -4.813 -18.813 -10.917 1.00 0.00 O ATOM 1818 CB SER A 109 -5.502 -15.633 -10.090 1.00 0.00 C ATOM 1819 OG SER A 109 -5.149 -15.333 -8.752 1.00 0.00 O ATOM 0 H SER A 109 -7.383 -16.226 -8.631 1.00 0.00 H new ATOM 0 HA SER A 109 -6.652 -17.111 -11.174 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.607 -15.640 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.156 -14.853 -10.480 1.00 0.00 H new ATOM 0 HG SER A 109 -4.700 -14.462 -8.719 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.799 -18.345 -8.714 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.853 -19.405 -8.363 1.00 0.00 C ATOM 1827 C ASP A 110 -4.461 -20.818 -8.593 1.00 0.00 C ATOM 1828 O ASP A 110 -3.745 -21.742 -8.959 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.404 -19.252 -6.903 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.502 -19.016 -5.861 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.250 -18.023 -6.006 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.541 -19.793 -4.880 1.00 0.00 O ATOM 0 H ASP A 110 -5.127 -17.798 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.987 -19.307 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.856 -20.151 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.701 -18.420 -6.850 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.788 -20.973 -8.382 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.466 -22.256 -8.701 1.00 0.00 C ATOM 1839 C GLU A 111 -6.326 -22.572 -10.193 1.00 0.00 C ATOM 1840 O GLU A 111 -6.066 -23.716 -10.568 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.966 -22.204 -8.327 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.322 -22.660 -6.899 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.847 -22.773 -6.645 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.624 -22.138 -7.404 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.216 -23.451 -5.660 1.00 0.00 O ATOM 0 H GLU A 111 -6.399 -20.249 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.987 -23.040 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.318 -21.181 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.518 -22.824 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.858 -23.628 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.894 -21.956 -6.185 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.439 -21.537 -11.042 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.217 -21.701 -12.480 1.00 0.00 C ATOM 1854 C LEU A 112 -4.728 -22.018 -12.777 1.00 0.00 C ATOM 1855 O LEU A 112 -4.427 -22.907 -13.570 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.651 -20.436 -13.237 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.402 -20.553 -14.755 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.171 -21.720 -15.383 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.789 -19.267 -15.485 1.00 0.00 C ATOM 0 H LEU A 112 -6.681 -20.588 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.821 -22.541 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.710 -20.252 -13.057 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.107 -19.576 -12.846 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.333 -20.734 -14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.962 -21.760 -16.452 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.858 -22.654 -14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.240 -21.577 -15.227 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.601 -19.384 -16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.847 -19.061 -15.323 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.195 -18.438 -15.101 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.806 -21.313 -12.097 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.355 -21.596 -12.238 1.00 0.00 C ATOM 1873 C VAL A 113 -2.064 -23.058 -11.864 1.00 0.00 C ATOM 1874 O VAL A 113 -1.329 -23.753 -12.566 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.530 -20.653 -11.323 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.031 -20.997 -11.332 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.634 -19.172 -11.704 1.00 0.00 C ATOM 0 H VAL A 113 -4.028 -20.554 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.069 -21.425 -13.276 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.968 -20.810 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.504 -20.309 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.110 -22.019 -10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.357 -20.907 -12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.030 -18.577 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.271 -19.032 -12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.674 -18.853 -11.642 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.709 -23.530 -10.790 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.600 -24.931 -10.377 1.00 0.00 C ATOM 1889 C ARG A 114 -3.168 -25.857 -11.461 1.00 0.00 C ATOM 1890 O ARG A 114 -2.498 -26.792 -11.886 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.345 -25.156 -9.053 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.274 -26.644 -8.660 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.753 -26.903 -7.235 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.831 -26.319 -6.251 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.930 -26.452 -4.937 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -3.863 -27.192 -4.389 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.095 -25.825 -4.144 1.00 0.00 N ATOM 0 H ARG A 114 -3.310 -22.962 -10.193 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.545 -25.165 -10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.904 -24.542 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.385 -24.846 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.880 -27.227 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.247 -26.993 -8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.749 -26.480 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.837 -27.977 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.052 -25.767 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.536 -27.683 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.916 -27.277 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.365 -25.232 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.175 -25.931 -3.133 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.360 -25.521 -11.980 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.993 -26.313 -13.047 1.00 0.00 C ATOM 1913 C HIS A 115 -4.047 -26.472 -14.237 1.00 0.00 C ATOM 1914 O HIS A 115 -3.792 -27.586 -14.687 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.294 -25.644 -13.508 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.905 -26.357 -14.692 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.439 -27.625 -14.664 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.942 -25.919 -15.994 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.793 -27.934 -15.921 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.536 -26.917 -16.753 1.00 0.00 N ATOM 0 H HIS A 115 -4.902 -24.711 -11.680 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.221 -27.300 -12.645 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.007 -25.631 -12.684 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.094 -24.606 -13.773 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.546 -28.219 -13.842 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.576 -24.971 -16.360 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.227 -28.876 -16.221 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.471 -25.353 -14.697 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.486 -25.381 -15.776 1.00 0.00 C ATOM 1930 C HIS A 116 -1.297 -26.306 -15.413 1.00 0.00 C ATOM 1931 O HIS A 116 -0.833 -27.084 -16.247 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.968 -23.961 -16.051 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.950 -22.951 -16.606 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.083 -23.170 -17.372 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -2.773 -21.594 -16.531 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.557 -21.967 -17.743 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -3.791 -20.978 -17.261 1.00 0.00 N ATOM 0 H HIS A 116 -3.673 -24.420 -14.336 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.971 -25.772 -16.671 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.568 -23.563 -15.118 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.134 -24.037 -16.749 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -1.981 -21.088 -15.998 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.438 -21.818 -18.349 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.925 -19.976 -17.400 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.865 -26.265 -14.138 1.00 0.00 N ATOM 1946 CA ASN A 117 0.272 -27.074 -13.672 1.00 0.00 C ATOM 1947 C ASN A 117 -0.084 -28.582 -13.654 1.00 0.00 C ATOM 1948 O ASN A 117 0.804 -29.434 -13.605 1.00 0.00 O ATOM 1949 CB ASN A 117 0.688 -26.618 -12.255 1.00 0.00 C ATOM 1950 CG ASN A 117 2.145 -26.889 -11.889 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.822 -26.042 -11.330 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.676 -28.059 -12.176 1.00 0.00 N ATOM 0 H ASN A 117 -1.287 -25.681 -13.416 1.00 0.00 H new ATOM 0 HA ASN A 117 1.102 -26.929 -14.364 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.500 -25.548 -12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.048 -27.117 -11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.647 -28.252 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.116 -28.772 -12.643 1.00 0.00 H new ATOM 1959 N MET A 118 -1.387 -28.890 -13.709 1.00 0.00 N ATOM 1960 CA MET A 118 -1.868 -30.276 -13.722 1.00 0.00 C ATOM 1961 C MET A 118 -2.447 -30.649 -15.108 1.00 0.00 C ATOM 1962 O MET A 118 -2.983 -31.740 -15.287 1.00 0.00 O ATOM 1963 CB MET A 118 -2.954 -30.459 -12.643 1.00 0.00 C ATOM 1964 CG MET A 118 -2.437 -30.207 -11.219 1.00 0.00 C ATOM 1965 SD MET A 118 -3.704 -30.246 -9.915 1.00 0.00 S ATOM 1966 CE MET A 118 -4.143 -32.005 -9.916 1.00 0.00 C ATOM 0 H MET A 118 -2.130 -28.192 -13.745 1.00 0.00 H new ATOM 0 HA MET A 118 -1.024 -30.933 -13.512 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.780 -29.779 -12.849 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.352 -31.472 -12.705 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.678 -30.954 -10.988 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.945 -29.235 -11.195 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.873 -32.198 -9.130 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.570 -32.273 -10.882 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.250 -32.603 -9.736 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.371 -29.711 -16.068 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.027 -29.882 -17.363 1.00 0.00 C ATOM 1978 C HIS A 119 -2.328 -30.960 -18.196 1.00 0.00 C ATOM 1979 O HIS A 119 -2.768 -31.284 -19.303 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.023 -28.554 -18.124 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.274 -28.374 -18.927 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.740 -29.231 -19.893 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.236 -27.435 -18.691 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.976 -28.813 -20.221 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.326 -27.750 -19.499 1.00 0.00 N ATOM 0 H HIS A 119 -1.863 -28.833 -15.966 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.055 -30.200 -17.187 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.922 -27.730 -17.418 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.157 -28.516 -18.785 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.244 -30.031 -20.286 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.165 -26.603 -18.006 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.601 -29.277 -20.970 1.00 0.00 H new