USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 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 73 HIS : no HD1:sc= -4.05 K(o=-4.2,f=-7.3!) USER MOD Set 1.2: A 76 SER OG : rot 47:sc= -0.109 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.98! C(o=-4!,f=-12!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00597 (180deg=-0.153) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc=-0.000895 X(o=-0.0009,f=-0.15) USER MOD Single : A 31 THR OG1 : rot 158:sc= 0.734 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 80:sc= -1.29 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.48! C(o=-4.5!,f=-9.3!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0375 (180deg=-0.275) USER MOD Single : A 47 GLN : amide:sc= -0.756 X(o=-0.76,f=-0.33) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.956 X(o=-0.96,f=-1.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.072 X(o=-0.072,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.31) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -73:sc= 0.725 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -33:sc= 1.32 USER MOD Single : A 96 TYR OH : rot 150:sc= -2.08! USER MOD Single : A 99 SER OG : rot 180:sc= -0.097 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 3.806 -7.657 -4.845 1.00 0.00 N ATOM 63 CA GLU A 5 3.800 -6.624 -5.871 1.00 0.00 C ATOM 64 C GLU A 5 2.387 -6.116 -6.112 1.00 0.00 C ATOM 65 O GLU A 5 2.013 -5.038 -5.654 1.00 0.00 O ATOM 66 CB GLU A 5 4.400 -7.164 -7.172 1.00 0.00 C ATOM 67 CG GLU A 5 5.650 -6.423 -7.617 1.00 0.00 C ATOM 68 CD GLU A 5 5.923 -6.577 -9.100 1.00 0.00 C ATOM 69 OE1 GLU A 5 5.878 -7.722 -9.597 1.00 0.00 O ATOM 70 OE2 GLU A 5 6.181 -5.552 -9.766 1.00 0.00 O ATOM 0 HA GLU A 5 4.410 -5.790 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.640 -8.219 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.651 -7.103 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.544 -5.365 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.507 -6.793 -7.053 1.00 0.00 H new ATOM 77 N SER A 6 1.610 -6.909 -6.827 1.00 0.00 N ATOM 78 CA SER A 6 0.229 -6.556 -7.134 1.00 0.00 C ATOM 79 C SER A 6 -0.631 -6.619 -5.878 1.00 0.00 C ATOM 80 O SER A 6 -0.290 -7.308 -4.917 1.00 0.00 O ATOM 81 CB SER A 6 -0.335 -7.495 -8.202 1.00 0.00 C ATOM 82 OG SER A 6 -0.389 -8.830 -7.731 1.00 0.00 O ATOM 0 H SER A 6 1.910 -7.806 -7.209 1.00 0.00 H new ATOM 0 HA SER A 6 0.213 -5.536 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.334 -7.167 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.285 -7.447 -9.097 1.00 0.00 H new ATOM 0 HG SER A 6 -0.755 -9.410 -8.432 1.00 0.00 H new ATOM 88 N ILE A 7 -1.746 -5.895 -5.885 1.00 0.00 N ATOM 89 CA ILE A 7 -2.642 -5.878 -4.736 1.00 0.00 C ATOM 90 C ILE A 7 -4.096 -6.029 -5.167 1.00 0.00 C ATOM 91 O ILE A 7 -4.844 -5.053 -5.220 1.00 0.00 O ATOM 92 CB ILE A 7 -2.495 -4.579 -3.915 1.00 0.00 C ATOM 93 CG1 ILE A 7 -1.043 -4.096 -3.924 1.00 0.00 C ATOM 94 CG2 ILE A 7 -2.975 -4.799 -2.489 1.00 0.00 C ATOM 95 CD1 ILE A 7 -0.684 -3.285 -5.150 1.00 0.00 C ATOM 0 H ILE A 7 -2.049 -5.316 -6.669 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.359 -6.725 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.113 -3.808 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.864 -3.493 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.381 -4.960 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.866 -3.875 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.024 -5.096 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.380 -5.584 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.359 -2.976 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.831 -3.892 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.321 -2.402 -5.202 1.00 0.00 H new ATOM 107 N ARG A 8 -4.492 -7.260 -5.474 1.00 0.00 N ATOM 108 CA ARG A 8 -5.859 -7.538 -5.898 1.00 0.00 C ATOM 109 C ARG A 8 -6.759 -7.782 -4.691 1.00 0.00 C ATOM 110 O ARG A 8 -6.956 -8.922 -4.271 1.00 0.00 O ATOM 111 CB ARG A 8 -5.891 -8.752 -6.830 1.00 0.00 C ATOM 112 CG ARG A 8 -5.872 -8.385 -8.306 1.00 0.00 C ATOM 113 CD ARG A 8 -4.778 -9.131 -9.055 1.00 0.00 C ATOM 114 NE ARG A 8 -5.103 -10.544 -9.237 1.00 0.00 N ATOM 115 CZ ARG A 8 -4.281 -11.428 -9.798 1.00 0.00 C ATOM 116 NH1 ARG A 8 -3.086 -11.048 -10.235 1.00 0.00 N ATOM 117 NH2 ARG A 8 -4.653 -12.694 -9.922 1.00 0.00 N ATOM 0 H ARG A 8 -3.886 -8.080 -5.437 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.232 -6.668 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.035 -9.390 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.787 -9.337 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.840 -8.615 -8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.719 -7.311 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.624 -8.666 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.839 -9.043 -8.508 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.014 -10.872 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.794 -10.075 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.460 -11.729 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.570 -12.991 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.023 -13.371 -10.352 1.00 0.00 H new ATOM 131 N PHE A 9 -7.303 -6.703 -4.138 1.00 0.00 N ATOM 132 CA PHE A 9 -8.185 -6.801 -2.978 1.00 0.00 C ATOM 133 C PHE A 9 -9.649 -6.782 -3.406 1.00 0.00 C ATOM 134 O PHE A 9 -10.340 -5.775 -3.251 1.00 0.00 O ATOM 135 CB PHE A 9 -7.915 -5.666 -1.979 1.00 0.00 C ATOM 136 CG PHE A 9 -7.363 -4.411 -2.598 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.070 -3.734 -3.579 1.00 0.00 C ATOM 138 CD2 PHE A 9 -6.136 -3.908 -2.194 1.00 0.00 C ATOM 139 CE1 PHE A 9 -7.564 -2.579 -4.146 1.00 0.00 C ATOM 140 CE2 PHE A 9 -5.625 -2.755 -2.757 1.00 0.00 C ATOM 141 CZ PHE A 9 -6.339 -2.090 -3.734 1.00 0.00 C ATOM 0 H PHE A 9 -7.150 -5.752 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.976 -7.751 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.844 -5.424 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.215 -6.022 -1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.027 -4.113 -3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.573 -4.424 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.125 -2.060 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.668 -2.374 -2.433 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.940 -1.189 -4.176 1.00 0.00 H new ATOM 151 N GLY A 10 -10.115 -7.903 -3.946 1.00 0.00 N ATOM 152 CA GLY A 10 -11.493 -7.996 -4.389 1.00 0.00 C ATOM 153 C GLY A 10 -11.678 -7.495 -5.809 1.00 0.00 C ATOM 154 O GLY A 10 -10.795 -7.671 -6.649 1.00 0.00 O ATOM 0 H GLY A 10 -9.562 -8.749 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.823 -9.033 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.128 -7.418 -3.717 1.00 0.00 H new ATOM 158 N PRO A 11 -12.823 -6.860 -6.112 1.00 0.00 N ATOM 159 CA PRO A 11 -13.102 -6.335 -7.453 1.00 0.00 C ATOM 160 C PRO A 11 -12.231 -5.130 -7.803 1.00 0.00 C ATOM 161 O PRO A 11 -12.221 -4.674 -8.946 1.00 0.00 O ATOM 162 CB PRO A 11 -14.574 -5.925 -7.375 1.00 0.00 C ATOM 163 CG PRO A 11 -14.816 -5.650 -5.932 1.00 0.00 C ATOM 164 CD PRO A 11 -13.933 -6.603 -5.175 1.00 0.00 C ATOM 0 HA PRO A 11 -12.890 -7.071 -8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.772 -5.043 -7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.226 -6.718 -7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.575 -4.616 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.865 -5.803 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.578 -6.166 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.461 -7.521 -4.917 1.00 0.00 H new ATOM 172 N ASN A 12 -11.503 -4.615 -6.814 1.00 0.00 N ATOM 173 CA ASN A 12 -10.635 -3.463 -7.027 1.00 0.00 C ATOM 174 C ASN A 12 -9.185 -3.896 -7.216 1.00 0.00 C ATOM 175 O ASN A 12 -8.532 -4.345 -6.275 1.00 0.00 O ATOM 176 CB ASN A 12 -10.739 -2.497 -5.845 1.00 0.00 C ATOM 177 CG ASN A 12 -11.971 -1.618 -5.923 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.870 -0.394 -5.996 1.00 0.00 O ATOM 179 ND2 ASN A 12 -13.144 -2.241 -5.908 1.00 0.00 N ATOM 0 H ASN A 12 -11.498 -4.977 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.963 -2.957 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.760 -3.066 -4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.849 -1.868 -5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.008 -1.702 -5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.180 -3.258 -5.846 1.00 0.00 H new ATOM 186 N VAL A 13 -8.685 -3.751 -8.440 1.00 0.00 N ATOM 187 CA VAL A 13 -7.310 -4.121 -8.754 1.00 0.00 C ATOM 188 C VAL A 13 -6.374 -2.932 -8.568 1.00 0.00 C ATOM 189 O VAL A 13 -6.722 -1.800 -8.905 1.00 0.00 O ATOM 190 CB VAL A 13 -7.184 -4.641 -10.199 1.00 0.00 C ATOM 191 CG1 VAL A 13 -5.797 -5.217 -10.441 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.257 -5.679 -10.489 1.00 0.00 C ATOM 0 H VAL A 13 -9.212 -3.380 -9.230 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.027 -4.918 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.328 -3.802 -10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.727 -5.579 -11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.048 -4.442 -10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.621 -6.043 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.152 -6.034 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.147 -6.517 -9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.242 -5.230 -10.360 1.00 0.00 H new ATOM 202 N PHE A 14 -5.188 -3.190 -8.026 1.00 0.00 N ATOM 203 CA PHE A 14 -4.212 -2.131 -7.795 1.00 0.00 C ATOM 204 C PHE A 14 -2.843 -2.516 -8.343 1.00 0.00 C ATOM 205 O PHE A 14 -2.408 -3.660 -8.208 1.00 0.00 O ATOM 206 CB PHE A 14 -4.108 -1.827 -6.300 1.00 0.00 C ATOM 207 CG PHE A 14 -3.441 -0.516 -5.995 1.00 0.00 C ATOM 208 CD1 PHE A 14 -2.103 -0.316 -6.295 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.153 0.516 -5.405 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.488 0.889 -6.013 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.543 1.723 -5.121 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.209 1.910 -5.426 1.00 0.00 C ATOM 0 H PHE A 14 -4.880 -4.119 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.552 -1.239 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.109 -1.824 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.553 -2.629 -5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.534 -1.111 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.196 0.375 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.444 1.032 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.109 2.519 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.731 2.853 -5.206 1.00 0.00 H new ATOM 222 N TYR A 15 -2.166 -1.551 -8.957 1.00 0.00 N ATOM 223 CA TYR A 15 -0.843 -1.785 -9.522 1.00 0.00 C ATOM 224 C TYR A 15 0.205 -0.933 -8.813 1.00 0.00 C ATOM 225 O TYR A 15 0.146 0.295 -8.844 1.00 0.00 O ATOM 226 CB TYR A 15 -0.844 -1.477 -11.020 1.00 0.00 C ATOM 227 CG TYR A 15 -1.546 -2.526 -11.853 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.986 -3.784 -12.037 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.769 -2.258 -12.455 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.625 -4.745 -12.797 1.00 0.00 C ATOM 231 CE2 TYR A 15 -3.414 -3.214 -13.217 1.00 0.00 C ATOM 232 CZ TYR A 15 -2.838 -4.456 -13.384 1.00 0.00 C ATOM 233 OH TYR A 15 -3.477 -5.411 -14.142 1.00 0.00 O ATOM 0 H TYR A 15 -2.513 -0.599 -9.076 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.590 -2.835 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.325 -0.513 -11.184 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.186 -1.382 -11.364 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.036 -4.015 -11.579 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.223 -1.287 -12.325 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.176 -5.718 -12.930 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.364 -2.990 -13.679 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.321 -5.047 -14.483 1.00 0.00 H new ATOM 243 N VAL A 16 1.160 -1.595 -8.171 1.00 0.00 N ATOM 244 CA VAL A 16 2.221 -0.897 -7.449 1.00 0.00 C ATOM 245 C VAL A 16 3.093 -0.069 -8.391 1.00 0.00 C ATOM 246 O VAL A 16 3.837 0.806 -7.948 1.00 0.00 O ATOM 247 CB VAL A 16 3.123 -1.873 -6.662 1.00 0.00 C ATOM 248 CG1 VAL A 16 2.536 -2.152 -5.288 1.00 0.00 C ATOM 249 CG2 VAL A 16 3.334 -3.170 -7.432 1.00 0.00 C ATOM 0 H VAL A 16 1.223 -2.612 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 16 1.719 -0.233 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 16 4.097 -1.401 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.185 -2.842 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.455 -1.219 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.547 -2.596 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.973 -3.837 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.371 -3.650 -7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.809 -2.952 -8.388 1.00 0.00 H new ATOM 259 N LEU A 17 3.004 -0.349 -9.688 1.00 0.00 N ATOM 260 CA LEU A 17 3.793 0.377 -10.679 1.00 0.00 C ATOM 261 C LEU A 17 2.922 1.337 -11.485 1.00 0.00 C ATOM 262 O LEU A 17 3.410 2.340 -12.006 1.00 0.00 O ATOM 263 CB LEU A 17 4.494 -0.604 -11.621 1.00 0.00 C ATOM 264 CG LEU A 17 5.436 -1.596 -10.938 1.00 0.00 C ATOM 265 CD1 LEU A 17 5.428 -2.930 -11.669 1.00 0.00 C ATOM 266 CD2 LEU A 17 6.847 -1.031 -10.872 1.00 0.00 C ATOM 0 H LEU A 17 2.396 -1.070 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 17 4.542 0.962 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.735 -1.164 -12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.062 -0.035 -12.357 1.00 0.00 H new ATOM 0 HG LEU A 17 5.083 -1.761 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.104 -3.623 -11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.419 -3.341 -11.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.756 -2.783 -12.698 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.504 -1.750 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.209 -0.837 -11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.840 -0.101 -10.304 1.00 0.00 H new ATOM 278 N LYS A 18 1.634 1.024 -11.589 1.00 0.00 N ATOM 279 CA LYS A 18 0.704 1.861 -12.339 1.00 0.00 C ATOM 280 C LYS A 18 -0.028 2.834 -11.419 1.00 0.00 C ATOM 281 O LYS A 18 -0.228 3.998 -11.764 1.00 0.00 O ATOM 282 CB LYS A 18 -0.306 0.990 -13.087 1.00 0.00 C ATOM 283 CG LYS A 18 -0.631 1.497 -14.481 1.00 0.00 C ATOM 284 CD LYS A 18 -0.922 0.351 -15.435 1.00 0.00 C ATOM 285 CE LYS A 18 -1.202 0.855 -16.841 1.00 0.00 C ATOM 286 NZ LYS A 18 0.008 1.457 -17.466 1.00 0.00 N ATOM 0 H LYS A 18 1.211 0.199 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 18 1.281 2.441 -13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.086 -0.024 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.226 0.935 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.493 2.162 -14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.205 2.084 -14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.073 -0.332 -15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.779 -0.216 -15.073 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.557 0.030 -17.458 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.001 1.596 -16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.162 1.602 -18.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.213 2.371 -17.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.819 0.818 -17.338 1.00 0.00 H new ATOM 300 N LEU A 19 -0.430 2.348 -10.248 1.00 0.00 N ATOM 301 CA LEU A 19 -1.144 3.172 -9.278 1.00 0.00 C ATOM 302 C LEU A 19 -2.544 3.509 -9.780 1.00 0.00 C ATOM 303 O LEU A 19 -2.912 4.679 -9.894 1.00 0.00 O ATOM 304 CB LEU A 19 -0.364 4.459 -8.991 1.00 0.00 C ATOM 305 CG LEU A 19 1.146 4.279 -8.829 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.881 5.544 -9.240 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.486 3.904 -7.394 1.00 0.00 C ATOM 0 H LEU A 19 -0.273 1.386 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.236 2.603 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.545 5.164 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.760 4.911 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 19 1.469 3.468 -9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.954 5.397 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.662 5.769 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.555 6.374 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.564 3.780 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.149 4.693 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.988 2.970 -7.134 1.00 0.00 H new ATOM 319 N THR A 20 -3.323 2.474 -10.079 1.00 0.00 N ATOM 320 CA THR A 20 -4.684 2.657 -10.570 1.00 0.00 C ATOM 321 C THR A 20 -5.634 1.652 -9.926 1.00 0.00 C ATOM 322 O THR A 20 -5.419 0.443 -10.002 1.00 0.00 O ATOM 323 CB THR A 20 -4.722 2.509 -12.092 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.712 3.296 -12.698 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.047 2.916 -12.699 1.00 0.00 C ATOM 0 H THR A 20 -3.035 1.500 -9.990 1.00 0.00 H new ATOM 0 HA THR A 20 -5.010 3.662 -10.301 1.00 0.00 H new ATOM 0 HB THR A 20 -4.563 1.448 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.752 3.187 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.007 2.787 -13.781 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.842 2.293 -12.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.248 3.962 -12.466 1.00 0.00 H new ATOM 333 N VAL A 21 -6.684 2.162 -9.290 1.00 0.00 N ATOM 334 CA VAL A 21 -7.667 1.309 -8.632 1.00 0.00 C ATOM 335 C VAL A 21 -8.901 1.119 -9.508 1.00 0.00 C ATOM 336 O VAL A 21 -9.799 1.961 -9.525 1.00 0.00 O ATOM 337 CB VAL A 21 -8.104 1.893 -7.273 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.831 0.842 -6.449 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.905 2.440 -6.512 1.00 0.00 C ATOM 0 H VAL A 21 -6.876 3.161 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.186 0.345 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.792 2.717 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.132 1.272 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.715 0.504 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.168 -0.005 -6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.235 2.847 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.189 1.637 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.431 3.228 -7.098 1.00 0.00 H new ATOM 349 N GLU A 22 -8.937 0.008 -10.238 1.00 0.00 N ATOM 350 CA GLU A 22 -10.061 -0.291 -11.119 1.00 0.00 C ATOM 351 C GLU A 22 -11.274 -0.756 -10.320 1.00 0.00 C ATOM 352 O GLU A 22 -11.325 -1.894 -9.854 1.00 0.00 O ATOM 353 CB GLU A 22 -9.666 -1.363 -12.137 1.00 0.00 C ATOM 354 CG GLU A 22 -10.527 -1.357 -13.390 1.00 0.00 C ATOM 355 CD GLU A 22 -10.074 -2.380 -14.413 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.868 -2.402 -14.737 1.00 0.00 O ATOM 357 OE2 GLU A 22 -10.926 -3.159 -14.892 1.00 0.00 O ATOM 0 H GLU A 22 -8.202 -0.699 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.328 0.624 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.624 -1.216 -12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.733 -2.343 -11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.563 -1.557 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.502 -0.364 -13.839 1.00 0.00 H new ATOM 364 N THR A 23 -12.250 0.133 -10.168 1.00 0.00 N ATOM 365 CA THR A 23 -13.465 -0.183 -9.429 1.00 0.00 C ATOM 366 C THR A 23 -14.521 -0.786 -10.352 1.00 0.00 C ATOM 367 O THR A 23 -14.366 -0.783 -11.573 1.00 0.00 O ATOM 368 CB THR A 23 -14.017 1.074 -8.750 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.417 2.240 -9.285 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.796 1.090 -7.253 1.00 0.00 C ATOM 0 H THR A 23 -12.222 1.079 -10.548 1.00 0.00 H new ATOM 0 HA THR A 23 -13.215 -0.918 -8.664 1.00 0.00 H new ATOM 0 HB THR A 23 -15.090 1.059 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.785 3.031 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.210 2.007 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.291 0.229 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.727 1.045 -7.042 1.00 0.00 H new ATOM 378 N PRO A 24 -15.613 -1.314 -9.775 1.00 0.00 N ATOM 379 CA PRO A 24 -16.697 -1.922 -10.544 1.00 0.00 C ATOM 380 C PRO A 24 -17.610 -0.883 -11.186 1.00 0.00 C ATOM 381 O PRO A 24 -18.293 -1.166 -12.170 1.00 0.00 O ATOM 382 CB PRO A 24 -17.454 -2.728 -9.491 1.00 0.00 C ATOM 383 CG PRO A 24 -17.232 -1.994 -8.217 1.00 0.00 C ATOM 384 CD PRO A 24 -15.873 -1.356 -8.325 1.00 0.00 C ATOM 0 HA PRO A 24 -16.327 -2.519 -11.377 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.515 -2.793 -9.730 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.078 -3.749 -9.429 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.004 -1.240 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.276 -2.673 -7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.865 -0.357 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.116 -1.939 -7.800 1.00 0.00 H new ATOM 392 N GLU A 25 -17.615 0.323 -10.625 1.00 0.00 N ATOM 393 CA GLU A 25 -18.442 1.404 -11.147 1.00 0.00 C ATOM 394 C GLU A 25 -17.652 2.268 -12.124 1.00 0.00 C ATOM 395 O GLU A 25 -18.214 2.837 -13.060 1.00 0.00 O ATOM 396 CB GLU A 25 -18.976 2.264 -9.999 1.00 0.00 C ATOM 397 CG GLU A 25 -20.419 1.961 -9.633 1.00 0.00 C ATOM 398 CD GLU A 25 -20.946 2.869 -8.539 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.376 2.853 -7.428 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.929 3.597 -8.794 1.00 0.00 O ATOM 0 H GLU A 25 -17.056 0.575 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.283 0.962 -11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.348 2.114 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.893 3.315 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.044 2.066 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.497 0.923 -9.308 1.00 0.00 H new ATOM 407 N GLY A 26 -16.345 2.362 -11.901 1.00 0.00 N ATOM 408 CA GLY A 26 -15.500 3.159 -12.771 1.00 0.00 C ATOM 409 C GLY A 26 -14.024 2.964 -12.482 1.00 0.00 C ATOM 410 O GLY A 26 -13.460 1.911 -12.778 1.00 0.00 O ATOM 0 H GLY A 26 -15.856 1.901 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.702 2.896 -13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.754 4.212 -12.654 1.00 0.00 H new ATOM 414 N SER A 27 -13.397 3.984 -11.905 1.00 0.00 N ATOM 415 CA SER A 27 -11.978 3.921 -11.577 1.00 0.00 C ATOM 416 C SER A 27 -11.610 4.983 -10.546 1.00 0.00 C ATOM 417 O SER A 27 -12.395 5.889 -10.266 1.00 0.00 O ATOM 418 CB SER A 27 -11.134 4.106 -12.840 1.00 0.00 C ATOM 419 OG SER A 27 -9.998 3.259 -12.824 1.00 0.00 O ATOM 0 H SER A 27 -13.849 4.863 -11.655 1.00 0.00 H new ATOM 0 HA SER A 27 -11.772 2.940 -11.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.740 3.891 -13.720 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.815 5.145 -12.919 1.00 0.00 H new ATOM 0 HG SER A 27 -9.477 3.395 -13.643 1.00 0.00 H new ATOM 425 N VAL A 28 -10.412 4.864 -9.983 1.00 0.00 N ATOM 426 CA VAL A 28 -9.940 5.813 -8.982 1.00 0.00 C ATOM 427 C VAL A 28 -8.427 5.986 -9.056 1.00 0.00 C ATOM 428 O VAL A 28 -7.684 5.009 -9.142 1.00 0.00 O ATOM 429 CB VAL A 28 -10.325 5.366 -7.559 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.000 6.456 -6.550 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.798 4.993 -7.497 1.00 0.00 C ATOM 0 H VAL A 28 -9.750 4.120 -10.203 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.422 6.766 -9.199 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.739 4.483 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.279 6.122 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.931 6.669 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.556 7.360 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.052 4.680 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.404 5.856 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.996 4.175 -8.190 1.00 0.00 H new ATOM 441 N HIS A 29 -7.978 7.237 -9.019 1.00 0.00 N ATOM 442 CA HIS A 29 -6.553 7.540 -9.079 1.00 0.00 C ATOM 443 C HIS A 29 -6.041 8.005 -7.719 1.00 0.00 C ATOM 444 O HIS A 29 -6.825 8.259 -6.804 1.00 0.00 O ATOM 445 CB HIS A 29 -6.282 8.613 -10.137 1.00 0.00 C ATOM 446 CG HIS A 29 -5.108 8.306 -11.014 1.00 0.00 C ATOM 447 ND1 HIS A 29 -5.017 7.161 -11.777 1.00 0.00 N ATOM 448 CD2 HIS A 29 -3.971 9.004 -11.249 1.00 0.00 C ATOM 449 CE1 HIS A 29 -3.875 7.167 -12.442 1.00 0.00 C ATOM 450 NE2 HIS A 29 -3.223 8.274 -12.140 1.00 0.00 N ATOM 0 H HIS A 29 -8.581 8.057 -8.948 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.022 6.629 -9.355 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.169 8.730 -10.759 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.113 9.568 -9.639 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.703 9.957 -10.816 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.533 6.397 -13.118 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.311 8.544 -12.509 1.00 0.00 H new ATOM 459 N LEU A 30 -4.723 8.114 -7.592 1.00 0.00 N ATOM 460 CA LEU A 30 -4.110 8.548 -6.342 1.00 0.00 C ATOM 461 C LEU A 30 -2.667 8.988 -6.563 1.00 0.00 C ATOM 462 O LEU A 30 -2.007 8.534 -7.498 1.00 0.00 O ATOM 463 CB LEU A 30 -4.152 7.419 -5.309 1.00 0.00 C ATOM 464 CG LEU A 30 -3.840 6.025 -5.856 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.490 6.012 -6.555 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.869 4.998 -4.735 1.00 0.00 C ATOM 0 H LEU A 30 -4.059 7.908 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.679 9.400 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.441 7.648 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.143 7.400 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.605 5.763 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.287 5.011 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.502 6.721 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.711 6.295 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.645 4.011 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.124 5.259 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.858 4.987 -4.277 1.00 0.00 H new ATOM 478 N THR A 31 -2.180 9.864 -5.692 1.00 0.00 N ATOM 479 CA THR A 31 -0.811 10.351 -5.790 1.00 0.00 C ATOM 480 C THR A 31 0.170 9.237 -5.432 1.00 0.00 C ATOM 481 O THR A 31 -0.044 8.504 -4.468 1.00 0.00 O ATOM 482 CB THR A 31 -0.603 11.551 -4.864 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.776 12.342 -4.799 1.00 0.00 O ATOM 484 CG2 THR A 31 0.535 12.451 -5.296 1.00 0.00 C ATOM 0 H THR A 31 -2.712 10.250 -4.912 1.00 0.00 H new ATOM 0 HA THR A 31 -0.628 10.668 -6.817 1.00 0.00 H new ATOM 0 HB THR A 31 -0.358 11.126 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.764 12.878 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.628 13.282 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.464 11.882 -5.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.333 12.839 -6.295 1.00 0.00 H new ATOM 492 N PRO A 32 1.256 9.084 -6.207 1.00 0.00 N ATOM 493 CA PRO A 32 2.253 8.040 -5.956 1.00 0.00 C ATOM 494 C PRO A 32 3.036 8.268 -4.670 1.00 0.00 C ATOM 495 O PRO A 32 3.713 7.364 -4.180 1.00 0.00 O ATOM 496 CB PRO A 32 3.177 8.123 -7.173 1.00 0.00 C ATOM 497 CG PRO A 32 3.021 9.517 -7.674 1.00 0.00 C ATOM 498 CD PRO A 32 1.597 9.903 -7.385 1.00 0.00 C ATOM 0 HA PRO A 32 1.787 7.063 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.211 7.914 -6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.895 7.395 -7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.717 10.191 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.232 9.574 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.504 10.968 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.942 9.686 -8.229 1.00 0.00 H new ATOM 506 N SER A 33 2.938 9.472 -4.121 1.00 0.00 N ATOM 507 CA SER A 33 3.640 9.793 -2.886 1.00 0.00 C ATOM 508 C SER A 33 2.815 9.374 -1.684 1.00 0.00 C ATOM 509 O SER A 33 3.352 8.908 -0.679 1.00 0.00 O ATOM 510 CB SER A 33 3.963 11.286 -2.817 1.00 0.00 C ATOM 511 OG SER A 33 5.277 11.546 -3.279 1.00 0.00 O ATOM 0 H SER A 33 2.384 10.236 -4.508 1.00 0.00 H new ATOM 0 HA SER A 33 4.579 9.240 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.246 11.844 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.859 11.636 -1.790 1.00 0.00 H new ATOM 0 HG SER A 33 5.458 12.508 -3.226 1.00 0.00 H new ATOM 517 N GLU A 34 1.508 9.519 -1.805 1.00 0.00 N ATOM 518 CA GLU A 34 0.603 9.127 -0.736 1.00 0.00 C ATOM 519 C GLU A 34 0.203 7.680 -0.920 1.00 0.00 C ATOM 520 O GLU A 34 0.018 6.943 0.049 1.00 0.00 O ATOM 521 CB GLU A 34 -0.629 10.035 -0.698 1.00 0.00 C ATOM 522 CG GLU A 34 -1.535 9.888 -1.909 1.00 0.00 C ATOM 523 CD GLU A 34 -2.297 11.161 -2.222 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.656 12.228 -2.319 1.00 0.00 O ATOM 525 OE2 GLU A 34 -3.535 11.091 -2.368 1.00 0.00 O ATOM 0 H GLU A 34 1.049 9.904 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 34 1.116 9.235 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.203 9.816 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.303 11.072 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.936 9.605 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.243 9.078 -1.733 1.00 0.00 H new ATOM 532 N SER A 35 0.125 7.263 -2.173 1.00 0.00 N ATOM 533 CA SER A 35 -0.190 5.886 -2.484 1.00 0.00 C ATOM 534 C SER A 35 1.089 5.062 -2.388 1.00 0.00 C ATOM 535 O SER A 35 1.050 3.833 -2.344 1.00 0.00 O ATOM 536 CB SER A 35 -0.820 5.770 -3.875 1.00 0.00 C ATOM 537 OG SER A 35 0.155 5.484 -4.864 1.00 0.00 O ATOM 0 H SER A 35 0.276 7.859 -2.987 1.00 0.00 H new ATOM 0 HA SER A 35 -0.921 5.506 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.575 4.984 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.330 6.701 -4.124 1.00 0.00 H new ATOM 0 HG SER A 35 0.368 4.528 -4.847 1.00 0.00 H new ATOM 543 N GLY A 36 2.229 5.764 -2.330 1.00 0.00 N ATOM 544 CA GLY A 36 3.504 5.097 -2.210 1.00 0.00 C ATOM 545 C GLY A 36 3.696 4.510 -0.833 1.00 0.00 C ATOM 546 O GLY A 36 4.349 3.478 -0.675 1.00 0.00 O ATOM 0 H GLY A 36 2.281 6.782 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.573 4.306 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.306 5.804 -2.420 1.00 0.00 H new ATOM 550 N ILE A 37 3.115 5.162 0.169 1.00 0.00 N ATOM 551 CA ILE A 37 3.222 4.678 1.541 1.00 0.00 C ATOM 552 C ILE A 37 2.584 3.302 1.666 1.00 0.00 C ATOM 553 O ILE A 37 3.058 2.448 2.415 1.00 0.00 O ATOM 554 CB ILE A 37 2.564 5.645 2.547 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.276 6.997 2.521 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.588 5.058 3.953 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.508 8.060 1.777 1.00 0.00 C ATOM 0 H ILE A 37 2.571 6.018 0.059 1.00 0.00 H new ATOM 0 HA ILE A 37 4.284 4.615 1.779 1.00 0.00 H new ATOM 0 HB ILE A 37 1.524 5.791 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.446 7.330 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.256 6.875 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.119 5.756 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.042 4.115 3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.620 4.883 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.069 8.995 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.361 7.746 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.539 8.209 2.253 1.00 0.00 H new ATOM 569 N LEU A 38 1.515 3.096 0.913 1.00 0.00 N ATOM 570 CA LEU A 38 0.810 1.820 0.917 1.00 0.00 C ATOM 571 C LEU A 38 1.690 0.728 0.318 1.00 0.00 C ATOM 572 O LEU A 38 1.517 -0.456 0.607 1.00 0.00 O ATOM 573 CB LEU A 38 -0.504 1.937 0.134 1.00 0.00 C ATOM 574 CG LEU A 38 -1.167 0.606 -0.242 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.611 0.569 0.233 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.096 0.379 -1.746 1.00 0.00 C ATOM 0 H LEU A 38 1.114 3.797 0.289 1.00 0.00 H new ATOM 0 HA LEU A 38 0.578 1.552 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.209 2.520 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.314 2.500 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.623 -0.197 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.061 -0.384 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.641 0.682 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.168 1.382 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.571 -0.570 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.613 1.189 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.053 0.356 -2.062 1.00 0.00 H new ATOM 588 N LYS A 39 2.637 1.140 -0.517 1.00 0.00 N ATOM 589 CA LYS A 39 3.551 0.206 -1.158 1.00 0.00 C ATOM 590 C LYS A 39 4.562 -0.337 -0.157 1.00 0.00 C ATOM 591 O LYS A 39 5.058 -1.454 -0.304 1.00 0.00 O ATOM 592 CB LYS A 39 4.275 0.888 -2.322 1.00 0.00 C ATOM 593 CG LYS A 39 4.081 0.184 -3.655 1.00 0.00 C ATOM 594 CD LYS A 39 4.967 0.783 -4.735 1.00 0.00 C ATOM 595 CE LYS A 39 4.500 2.176 -5.128 1.00 0.00 C ATOM 596 NZ LYS A 39 5.617 3.007 -5.657 1.00 0.00 N ATOM 0 H LYS A 39 2.791 2.117 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 39 2.968 -0.630 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.920 1.915 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.341 0.937 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.307 -0.876 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.036 0.257 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.996 0.830 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.962 0.135 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.717 2.097 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.059 2.669 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.258 3.949 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.353 3.104 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.021 2.550 -6.499 1.00 0.00 H new ATOM 610 N ARG A 40 4.863 0.459 0.860 1.00 0.00 N ATOM 611 CA ARG A 40 5.818 0.052 1.887 1.00 0.00 C ATOM 612 C ARG A 40 5.162 -0.855 2.919 1.00 0.00 C ATOM 613 O ARG A 40 5.838 -1.627 3.598 1.00 0.00 O ATOM 614 CB ARG A 40 6.428 1.277 2.575 1.00 0.00 C ATOM 615 CG ARG A 40 6.716 2.432 1.628 1.00 0.00 C ATOM 616 CD ARG A 40 7.639 2.010 0.497 1.00 0.00 C ATOM 617 NE ARG A 40 7.530 2.897 -0.659 1.00 0.00 N ATOM 618 CZ ARG A 40 7.944 2.575 -1.882 1.00 0.00 C ATOM 619 NH1 ARG A 40 8.495 1.390 -2.114 1.00 0.00 N ATOM 620 NH2 ARG A 40 7.807 3.440 -2.878 1.00 0.00 N ATOM 0 H ARG A 40 4.463 1.387 0.998 1.00 0.00 H new ATOM 0 HA ARG A 40 6.614 -0.508 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.749 1.620 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.355 0.982 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.780 2.806 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.170 3.253 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.669 2.004 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.400 0.990 0.195 1.00 0.00 H new ATOM 0 HE ARG A 40 7.112 3.817 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.603 0.720 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.810 1.149 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.384 4.352 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.124 3.193 -3.815 1.00 0.00 H new ATOM 634 N LEU A 41 3.843 -0.772 3.025 1.00 0.00 N ATOM 635 CA LEU A 41 3.107 -1.604 3.966 1.00 0.00 C ATOM 636 C LEU A 41 2.748 -2.938 3.324 1.00 0.00 C ATOM 637 O LEU A 41 2.474 -3.919 4.016 1.00 0.00 O ATOM 638 CB LEU A 41 1.843 -0.887 4.448 1.00 0.00 C ATOM 639 CG LEU A 41 2.031 0.583 4.838 1.00 0.00 C ATOM 640 CD1 LEU A 41 0.867 1.060 5.690 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.349 0.784 5.576 1.00 0.00 C ATOM 0 H LEU A 41 3.263 -0.140 2.473 1.00 0.00 H new ATOM 0 HA LEU A 41 3.744 -1.792 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.091 -0.943 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.445 -1.426 5.308 1.00 0.00 H new ATOM 0 HG LEU A 41 2.059 1.176 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.017 2.106 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.061 0.959 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.809 0.458 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.460 1.835 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.355 0.177 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.176 0.483 4.932 1.00 0.00 H new ATOM 653 N LEU A 42 2.768 -2.971 1.995 1.00 0.00 N ATOM 654 CA LEU A 42 2.462 -4.188 1.260 1.00 0.00 C ATOM 655 C LEU A 42 3.678 -5.104 1.220 1.00 0.00 C ATOM 656 O LEU A 42 3.547 -6.320 1.088 1.00 0.00 O ATOM 657 CB LEU A 42 1.997 -3.853 -0.160 1.00 0.00 C ATOM 658 CG LEU A 42 0.522 -4.145 -0.443 1.00 0.00 C ATOM 659 CD1 LEU A 42 0.266 -5.644 -0.449 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.365 -3.455 0.583 1.00 0.00 C ATOM 0 H LEU A 42 2.993 -2.168 1.408 1.00 0.00 H new ATOM 0 HA LEU A 42 1.654 -4.709 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.185 -2.796 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.606 -4.416 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 42 0.277 -3.751 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.788 -5.832 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.874 -6.114 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.529 -6.062 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.411 -3.674 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.118 -3.818 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.203 -2.378 0.538 1.00 0.00 H new ATOM 672 N ILE A 43 4.864 -4.514 1.347 1.00 0.00 N ATOM 673 CA ILE A 43 6.098 -5.289 1.337 1.00 0.00 C ATOM 674 C ILE A 43 6.262 -6.056 2.644 1.00 0.00 C ATOM 675 O ILE A 43 6.885 -7.117 2.679 1.00 0.00 O ATOM 676 CB ILE A 43 7.333 -4.395 1.115 1.00 0.00 C ATOM 677 CG1 ILE A 43 7.456 -3.356 2.232 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.251 -3.718 -0.244 1.00 0.00 C ATOM 679 CD1 ILE A 43 8.813 -3.350 2.902 1.00 0.00 C ATOM 0 H ILE A 43 4.995 -3.508 1.457 1.00 0.00 H new ATOM 0 HA ILE A 43 6.026 -5.991 0.506 1.00 0.00 H new ATOM 0 HB ILE A 43 8.225 -5.021 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.258 -2.366 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.689 -3.548 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.129 -3.089 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.213 -4.476 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.352 -3.103 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.830 -2.590 3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.005 -4.328 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.583 -3.128 2.163 1.00 0.00 H new ATOM 691 N ASN A 44 5.692 -5.515 3.717 1.00 0.00 N ATOM 692 CA ASN A 44 5.767 -6.152 5.024 1.00 0.00 C ATOM 693 C ASN A 44 4.459 -6.863 5.341 1.00 0.00 C ATOM 694 O ASN A 44 4.446 -7.941 5.934 1.00 0.00 O ATOM 695 CB ASN A 44 6.083 -5.114 6.100 1.00 0.00 C ATOM 696 CG ASN A 44 6.534 -5.748 7.401 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.261 -6.920 7.661 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.229 -4.974 8.226 1.00 0.00 N ATOM 0 H ASN A 44 5.173 -4.637 3.705 1.00 0.00 H new ATOM 0 HA ASN A 44 6.568 -6.891 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.862 -4.444 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.198 -4.504 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.560 -5.345 9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.432 -4.008 7.969 1.00 0.00 H new ATOM 705 N LYS A 45 3.362 -6.249 4.922 1.00 0.00 N ATOM 706 CA LYS A 45 2.029 -6.804 5.131 1.00 0.00 C ATOM 707 C LYS A 45 1.800 -7.195 6.588 1.00 0.00 C ATOM 708 O LYS A 45 2.013 -8.345 6.976 1.00 0.00 O ATOM 709 CB LYS A 45 1.819 -8.018 4.225 1.00 0.00 C ATOM 710 CG LYS A 45 0.398 -8.558 4.250 1.00 0.00 C ATOM 711 CD LYS A 45 -0.159 -8.732 2.846 1.00 0.00 C ATOM 712 CE LYS A 45 0.366 -10.001 2.193 1.00 0.00 C ATOM 713 NZ LYS A 45 -0.188 -11.225 2.833 1.00 0.00 N ATOM 0 H LYS A 45 3.368 -5.356 4.429 1.00 0.00 H new ATOM 0 HA LYS A 45 1.305 -6.030 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.077 -7.746 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.505 -8.809 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.381 -9.516 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.241 -7.878 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.248 -8.766 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.111 -7.869 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.109 -9.997 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.454 -10.019 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.078 -12.034 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.324 -11.416 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.197 -11.082 3.040 1.00 0.00 H new ATOM 727 N GLY A 46 1.354 -6.232 7.386 1.00 0.00 N ATOM 728 CA GLY A 46 1.087 -6.488 8.790 1.00 0.00 C ATOM 729 C GLY A 46 2.348 -6.639 9.618 1.00 0.00 C ATOM 730 O GLY A 46 2.951 -7.711 9.659 1.00 0.00 O ATOM 0 H GLY A 46 1.172 -5.275 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.490 -5.671 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.489 -7.395 8.880 1.00 0.00 H new ATOM 734 N GLN A 47 2.741 -5.558 10.285 1.00 0.00 N ATOM 735 CA GLN A 47 3.931 -5.561 11.124 1.00 0.00 C ATOM 736 C GLN A 47 4.008 -4.278 11.948 1.00 0.00 C ATOM 737 O GLN A 47 3.430 -3.257 11.577 1.00 0.00 O ATOM 738 CB GLN A 47 5.186 -5.714 10.263 1.00 0.00 C ATOM 739 CG GLN A 47 5.910 -7.034 10.474 1.00 0.00 C ATOM 740 CD GLN A 47 6.300 -7.260 11.921 1.00 0.00 C ATOM 741 OE1 GLN A 47 7.334 -6.776 12.381 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.471 -8.000 12.648 1.00 0.00 N ATOM 0 H GLN A 47 2.249 -4.665 10.259 1.00 0.00 H new ATOM 0 HA GLN A 47 3.870 -6.408 11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.909 -5.625 9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.870 -4.894 10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.271 -7.852 10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.805 -7.057 9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.624 -8.382 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.681 -8.187 13.629 1.00 0.00 H new ATOM 751 N LEU A 48 4.725 -4.336 13.065 1.00 0.00 N ATOM 752 CA LEU A 48 4.873 -3.174 13.935 1.00 0.00 C ATOM 753 C LEU A 48 5.853 -2.169 13.338 1.00 0.00 C ATOM 754 O LEU A 48 7.036 -2.163 13.678 1.00 0.00 O ATOM 755 CB LEU A 48 5.346 -3.606 15.325 1.00 0.00 C ATOM 756 CG LEU A 48 4.743 -2.816 16.488 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.148 -1.352 16.405 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.226 -2.954 16.499 1.00 0.00 C ATOM 0 H LEU A 48 5.211 -5.172 13.389 1.00 0.00 H new ATOM 0 HA LEU A 48 3.899 -2.693 14.026 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.109 -4.661 15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.431 -3.515 15.368 1.00 0.00 H new ATOM 0 HG LEU A 48 5.130 -3.226 17.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.710 -0.805 17.240 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.234 -1.272 16.449 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.790 -0.928 15.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.815 -2.385 17.333 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.819 -2.571 15.563 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.957 -4.005 16.609 1.00 0.00 H new ATOM 770 N CYS A 49 5.353 -1.321 12.444 1.00 0.00 N ATOM 771 CA CYS A 49 6.185 -0.312 11.799 1.00 0.00 C ATOM 772 C CYS A 49 5.720 1.094 12.166 1.00 0.00 C ATOM 773 O CYS A 49 4.829 1.652 11.526 1.00 0.00 O ATOM 774 CB CYS A 49 6.159 -0.493 10.280 1.00 0.00 C ATOM 775 SG CYS A 49 7.796 -0.518 9.512 1.00 0.00 S ATOM 0 H CYS A 49 4.376 -1.313 12.150 1.00 0.00 H new ATOM 0 HA CYS A 49 7.208 -0.440 12.154 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.645 -1.425 10.045 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.575 0.314 9.839 1.00 0.00 H new ATOM 0 HG CYS A 49 7.671 -0.678 8.228 1.00 0.00 H new ATOM 781 N LEU A 50 6.333 1.660 13.202 1.00 0.00 N ATOM 782 CA LEU A 50 5.989 3.004 13.662 1.00 0.00 C ATOM 783 C LEU A 50 5.940 3.985 12.496 1.00 0.00 C ATOM 784 O LEU A 50 6.359 3.664 11.384 1.00 0.00 O ATOM 785 CB LEU A 50 7.000 3.492 14.707 1.00 0.00 C ATOM 786 CG LEU A 50 7.410 2.465 15.770 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.259 1.521 16.093 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.633 1.684 15.310 1.00 0.00 C ATOM 0 H LEU A 50 7.072 1.208 13.741 1.00 0.00 H new ATOM 0 HA LEU A 50 5.000 2.956 14.118 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.898 3.827 14.188 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.580 4.362 15.212 1.00 0.00 H new ATOM 0 HG LEU A 50 7.666 3.004 16.682 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.578 0.804 16.849 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.413 2.095 16.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.961 0.988 15.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.911 0.960 16.075 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.403 1.161 14.382 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.462 2.372 15.143 1.00 0.00 H new ATOM 800 N ARG A 51 5.423 5.181 12.756 1.00 0.00 N ATOM 801 CA ARG A 51 5.320 6.204 11.724 1.00 0.00 C ATOM 802 C ARG A 51 6.632 6.951 11.564 1.00 0.00 C ATOM 803 O ARG A 51 6.951 7.441 10.481 1.00 0.00 O ATOM 804 CB ARG A 51 4.193 7.186 12.052 1.00 0.00 C ATOM 805 CG ARG A 51 4.405 7.940 13.355 1.00 0.00 C ATOM 806 CD ARG A 51 4.926 9.347 13.108 1.00 0.00 C ATOM 807 NE ARG A 51 4.901 10.161 14.321 1.00 0.00 N ATOM 808 CZ ARG A 51 5.732 9.989 15.346 1.00 0.00 C ATOM 809 NH1 ARG A 51 6.654 9.035 15.309 1.00 0.00 N ATOM 810 NH2 ARG A 51 5.642 10.774 16.411 1.00 0.00 N ATOM 0 H ARG A 51 5.070 5.465 13.670 1.00 0.00 H new ATOM 0 HA ARG A 51 5.091 5.707 10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.099 7.904 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.251 6.640 12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.465 7.991 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.111 7.394 13.981 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.946 9.294 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.323 9.827 12.337 1.00 0.00 H new ATOM 0 HE ARG A 51 4.206 10.905 14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.728 8.429 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.288 8.908 16.098 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.936 11.509 16.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.279 10.642 17.197 1.00 0.00 H new ATOM 824 N LYS A 52 7.394 7.027 12.642 1.00 0.00 N ATOM 825 CA LYS A 52 8.678 7.708 12.607 1.00 0.00 C ATOM 826 C LYS A 52 9.609 7.015 11.639 1.00 0.00 C ATOM 827 O LYS A 52 9.940 7.557 10.593 1.00 0.00 O ATOM 828 CB LYS A 52 9.304 7.761 14.002 1.00 0.00 C ATOM 829 CG LYS A 52 10.069 9.046 14.275 1.00 0.00 C ATOM 830 CD LYS A 52 10.020 9.423 15.748 1.00 0.00 C ATOM 831 CE LYS A 52 11.345 10.000 16.221 1.00 0.00 C ATOM 832 NZ LYS A 52 11.158 11.264 16.986 1.00 0.00 N ATOM 0 H LYS A 52 7.148 6.628 13.548 1.00 0.00 H new ATOM 0 HA LYS A 52 8.515 8.731 12.268 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.518 7.650 14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.979 6.913 14.121 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.107 8.926 13.964 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.648 9.855 13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.226 10.151 15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.773 8.543 16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.857 9.269 16.847 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.987 10.188 15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.084 11.626 17.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.693 11.970 16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.566 11.080 17.821 1.00 0.00 H new ATOM 846 N HIS A 53 10.009 5.809 11.985 1.00 0.00 N ATOM 847 CA HIS A 53 10.894 5.027 11.131 1.00 0.00 C ATOM 848 C HIS A 53 10.337 4.945 9.719 1.00 0.00 C ATOM 849 O HIS A 53 11.086 4.806 8.751 1.00 0.00 O ATOM 850 CB HIS A 53 11.087 3.626 11.708 1.00 0.00 C ATOM 851 CG HIS A 53 11.950 2.739 10.862 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.531 1.516 10.381 1.00 0.00 N ATOM 853 CD2 HIS A 53 13.216 2.905 10.411 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.502 0.969 9.672 1.00 0.00 C ATOM 855 NE2 HIS A 53 13.534 1.792 9.674 1.00 0.00 N ATOM 0 H HIS A 53 9.738 5.344 12.851 1.00 0.00 H new ATOM 0 HA HIS A 53 11.863 5.524 11.091 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.530 3.709 12.700 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.111 3.157 11.833 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.856 3.755 10.597 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.459 0.011 9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.424 1.627 9.204 1.00 0.00 H new ATOM 864 N LEU A 54 9.021 5.057 9.604 1.00 0.00 N ATOM 865 CA LEU A 54 8.376 5.020 8.304 1.00 0.00 C ATOM 866 C LEU A 54 8.819 6.216 7.473 1.00 0.00 C ATOM 867 O LEU A 54 8.795 6.175 6.244 1.00 0.00 O ATOM 868 CB LEU A 54 6.853 5.019 8.457 1.00 0.00 C ATOM 869 CG LEU A 54 6.111 4.044 7.539 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.649 2.822 8.317 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.928 4.732 6.873 1.00 0.00 C ATOM 0 H LEU A 54 8.384 5.174 10.392 1.00 0.00 H new ATOM 0 HA LEU A 54 8.670 4.102 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.607 4.779 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.483 6.027 8.267 1.00 0.00 H new ATOM 0 HG LEU A 54 6.800 3.715 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.124 2.141 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.514 2.315 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.978 3.133 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.413 4.023 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.239 5.092 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.284 5.574 6.280 1.00 0.00 H new ATOM 883 N LEU A 55 9.225 7.282 8.156 1.00 0.00 N ATOM 884 CA LEU A 55 9.672 8.489 7.477 1.00 0.00 C ATOM 885 C LEU A 55 11.042 8.297 6.828 1.00 0.00 C ATOM 886 O LEU A 55 11.475 9.126 6.033 1.00 0.00 O ATOM 887 CB LEU A 55 9.665 9.685 8.454 1.00 0.00 C ATOM 888 CG LEU A 55 10.956 9.997 9.248 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.597 10.492 10.640 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.892 8.799 9.361 1.00 0.00 C ATOM 0 H LEU A 55 9.253 7.333 9.174 1.00 0.00 H new ATOM 0 HA LEU A 55 8.972 8.705 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.402 10.577 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.864 9.520 9.175 1.00 0.00 H new ATOM 0 HG LEU A 55 11.488 10.769 8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.509 10.710 11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.995 11.397 10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.029 9.724 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.778 9.082 9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.379 7.984 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.188 8.473 8.364 1.00 0.00 H new ATOM 902 N GLU A 56 11.724 7.205 7.172 1.00 0.00 N ATOM 903 CA GLU A 56 13.042 6.931 6.614 1.00 0.00 C ATOM 904 C GLU A 56 12.943 6.109 5.335 1.00 0.00 C ATOM 905 O GLU A 56 13.865 6.101 4.520 1.00 0.00 O ATOM 906 CB GLU A 56 13.912 6.202 7.639 1.00 0.00 C ATOM 907 CG GLU A 56 14.444 7.107 8.738 1.00 0.00 C ATOM 908 CD GLU A 56 15.785 6.647 9.274 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.936 5.436 9.535 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.685 7.499 9.432 1.00 0.00 O ATOM 0 H GLU A 56 11.386 6.502 7.830 1.00 0.00 H new ATOM 0 HA GLU A 56 13.504 7.887 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.330 5.399 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.753 5.736 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.540 8.122 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.723 7.143 9.555 1.00 0.00 H new ATOM 917 N GLU A 57 11.823 5.419 5.162 1.00 0.00 N ATOM 918 CA GLU A 57 11.617 4.597 3.976 1.00 0.00 C ATOM 919 C GLU A 57 10.951 5.398 2.871 1.00 0.00 C ATOM 920 O GLU A 57 11.149 5.128 1.686 1.00 0.00 O ATOM 921 CB GLU A 57 10.779 3.364 4.317 1.00 0.00 C ATOM 922 CG GLU A 57 11.302 2.584 5.512 1.00 0.00 C ATOM 923 CD GLU A 57 12.614 1.879 5.223 1.00 0.00 C ATOM 924 OE1 GLU A 57 13.167 2.080 4.121 1.00 0.00 O ATOM 925 OE2 GLU A 57 13.089 1.127 6.099 1.00 0.00 O ATOM 0 H GLU A 57 11.047 5.412 5.824 1.00 0.00 H new ATOM 0 HA GLU A 57 12.593 4.268 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.754 3.676 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.748 2.705 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.437 3.264 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.557 1.847 5.814 1.00 0.00 H new ATOM 932 N ILE A 58 10.178 6.393 3.266 1.00 0.00 N ATOM 933 CA ILE A 58 9.499 7.247 2.309 1.00 0.00 C ATOM 934 C ILE A 58 10.321 8.507 2.051 1.00 0.00 C ATOM 935 O ILE A 58 10.035 9.271 1.128 1.00 0.00 O ATOM 936 CB ILE A 58 8.081 7.616 2.786 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.392 6.377 3.368 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.267 8.188 1.634 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.956 6.608 3.779 1.00 0.00 C ATOM 0 H ILE A 58 10.005 6.630 4.243 1.00 0.00 H new ATOM 0 HA ILE A 58 9.399 6.692 1.377 1.00 0.00 H new ATOM 0 HB ILE A 58 8.154 8.377 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.423 5.576 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.956 6.034 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.268 8.444 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.757 9.083 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.192 7.447 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.539 5.684 4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.916 7.386 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.375 6.921 2.911 1.00 0.00 H new ATOM 951 N LYS A 59 11.370 8.699 2.856 1.00 0.00 N ATOM 952 CA LYS A 59 12.259 9.840 2.696 1.00 0.00 C ATOM 953 C LYS A 59 13.504 9.417 1.929 1.00 0.00 C ATOM 954 O LYS A 59 14.125 10.227 1.240 1.00 0.00 O ATOM 955 CB LYS A 59 12.648 10.428 4.053 1.00 0.00 C ATOM 956 CG LYS A 59 13.583 11.623 3.954 1.00 0.00 C ATOM 957 CD LYS A 59 14.603 11.627 5.080 1.00 0.00 C ATOM 958 CE LYS A 59 15.937 11.057 4.625 1.00 0.00 C ATOM 959 NZ LYS A 59 16.951 11.080 5.715 1.00 0.00 N ATOM 0 H LYS A 59 11.620 8.075 3.624 1.00 0.00 H new ATOM 0 HA LYS A 59 11.733 10.612 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.744 10.728 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.125 9.653 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.099 11.604 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.002 12.545 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.745 12.646 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.223 11.043 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.796 10.032 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.305 11.630 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.846 10.683 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.105 12.061 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.611 10.512 6.517 1.00 0.00 H new ATOM 973 N ASN A 60 13.853 8.133 2.030 1.00 0.00 N ATOM 974 CA ASN A 60 15.004 7.603 1.324 1.00 0.00 C ATOM 975 C ASN A 60 14.587 7.145 -0.069 1.00 0.00 C ATOM 976 O ASN A 60 15.028 6.103 -0.555 1.00 0.00 O ATOM 977 CB ASN A 60 15.622 6.438 2.100 1.00 0.00 C ATOM 978 CG ASN A 60 16.511 6.908 3.235 1.00 0.00 C ATOM 979 OD1 ASN A 60 17.201 7.920 3.119 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.498 6.172 4.340 1.00 0.00 N ATOM 0 H ASN A 60 13.351 7.448 2.595 1.00 0.00 H new ATOM 0 HA ASN A 60 15.753 8.390 1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.827 5.809 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.205 5.819 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.076 6.438 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.910 5.340 4.392 1.00 0.00 H new ATOM 987 N HIS A 61 13.719 7.932 -0.697 1.00 0.00 N ATOM 988 CA HIS A 61 13.215 7.624 -2.023 1.00 0.00 C ATOM 989 C HIS A 61 12.527 8.844 -2.631 1.00 0.00 C ATOM 990 O HIS A 61 12.721 9.159 -3.805 1.00 0.00 O ATOM 991 CB HIS A 61 12.236 6.451 -1.946 1.00 0.00 C ATOM 992 CG HIS A 61 12.089 5.707 -3.237 1.00 0.00 C ATOM 993 ND1 HIS A 61 13.164 5.327 -4.013 1.00 0.00 N ATOM 994 CD2 HIS A 61 10.985 5.270 -3.887 1.00 0.00 C ATOM 995 CE1 HIS A 61 12.727 4.690 -5.085 1.00 0.00 C ATOM 996 NE2 HIS A 61 11.409 4.642 -5.032 1.00 0.00 N ATOM 0 H HIS A 61 13.349 8.796 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 61 14.054 7.348 -2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.571 5.759 -1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.259 6.824 -1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.961 5.392 -3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 61 13.343 4.279 -5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.803 4.208 -5.729 1.00 0.00 H new ATOM 1005 N ALA A 62 11.720 9.529 -1.819 1.00 0.00 N ATOM 1006 CA ALA A 62 10.998 10.718 -2.267 1.00 0.00 C ATOM 1007 C ALA A 62 9.996 11.182 -1.214 1.00 0.00 C ATOM 1008 O ALA A 62 8.826 10.802 -1.249 1.00 0.00 O ATOM 1009 CB ALA A 62 10.285 10.446 -3.586 1.00 0.00 C ATOM 0 H ALA A 62 11.551 9.279 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 62 11.727 11.514 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.753 11.343 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.017 10.170 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.574 9.630 -3.454 1.00 0.00 H new ATOM 1015 N LYS A 63 10.458 12.013 -0.284 1.00 0.00 N ATOM 1016 CA LYS A 63 9.593 12.537 0.769 1.00 0.00 C ATOM 1017 C LYS A 63 8.743 13.684 0.233 1.00 0.00 C ATOM 1018 O LYS A 63 8.761 14.790 0.775 1.00 0.00 O ATOM 1019 CB LYS A 63 10.430 13.022 1.956 1.00 0.00 C ATOM 1020 CG LYS A 63 9.600 13.592 3.095 1.00 0.00 C ATOM 1021 CD LYS A 63 10.306 13.430 4.432 1.00 0.00 C ATOM 1022 CE LYS A 63 11.003 14.713 4.853 1.00 0.00 C ATOM 1023 NZ LYS A 63 11.582 14.608 6.221 1.00 0.00 N ATOM 0 H LYS A 63 11.424 12.337 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 63 8.936 11.735 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.026 12.191 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.128 13.784 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.404 14.648 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.633 13.090 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.582 13.141 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.036 12.624 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.794 14.947 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.292 15.539 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.048 15.504 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.824 14.410 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.279 13.837 6.245 1.00 0.00 H new ATOM 1092 N ARG A 68 5.687 18.175 2.467 1.00 0.00 N ATOM 1093 CA ARG A 68 4.604 17.205 2.365 1.00 0.00 C ATOM 1094 C ARG A 68 4.857 16.012 3.285 1.00 0.00 C ATOM 1095 O ARG A 68 4.892 14.867 2.834 1.00 0.00 O ATOM 1096 CB ARG A 68 4.437 16.745 0.916 1.00 0.00 C ATOM 1097 CG ARG A 68 3.320 17.462 0.175 1.00 0.00 C ATOM 1098 CD ARG A 68 2.415 16.483 -0.557 1.00 0.00 C ATOM 1099 NE ARG A 68 1.136 17.088 -0.920 1.00 0.00 N ATOM 1100 CZ ARG A 68 0.131 17.264 -0.066 1.00 0.00 C ATOM 1101 NH1 ARG A 68 0.252 16.883 1.200 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -0.998 17.823 -0.479 1.00 0.00 N ATOM 0 HA ARG A 68 3.679 17.686 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.375 16.903 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.240 15.673 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.730 18.045 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.749 18.165 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.917 16.129 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.238 15.612 0.073 1.00 0.00 H new ATOM 0 HE ARG A 68 1.006 17.393 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.119 16.453 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.522 17.020 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.096 18.118 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.769 17.958 0.175 1.00 0.00 H new ATOM 1116 N ASN A 69 5.047 16.290 4.575 1.00 0.00 N ATOM 1117 CA ASN A 69 5.314 15.242 5.565 1.00 0.00 C ATOM 1118 C ASN A 69 4.469 13.997 5.303 1.00 0.00 C ATOM 1119 O ASN A 69 3.290 14.094 4.963 1.00 0.00 O ATOM 1120 CB ASN A 69 5.039 15.763 6.978 1.00 0.00 C ATOM 1121 CG ASN A 69 5.659 17.124 7.228 1.00 0.00 C ATOM 1122 OD1 ASN A 69 6.837 17.231 7.568 1.00 0.00 O ATOM 1123 ND2 ASN A 69 4.864 18.175 7.061 1.00 0.00 N ATOM 0 H ASN A 69 5.021 17.234 4.961 1.00 0.00 H new ATOM 0 HA ASN A 69 6.365 14.966 5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.962 15.824 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.428 15.051 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.224 19.117 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.893 18.040 6.778 1.00 0.00 H new ATOM 1130 N VAL A 70 5.087 12.827 5.451 1.00 0.00 N ATOM 1131 CA VAL A 70 4.399 11.561 5.218 1.00 0.00 C ATOM 1132 C VAL A 70 3.094 11.479 5.996 1.00 0.00 C ATOM 1133 O VAL A 70 2.110 10.917 5.518 1.00 0.00 O ATOM 1134 CB VAL A 70 5.288 10.354 5.585 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.601 10.336 7.074 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.621 9.055 5.165 1.00 0.00 C ATOM 0 H VAL A 70 6.063 12.730 5.731 1.00 0.00 H new ATOM 0 HA VAL A 70 4.176 11.524 4.152 1.00 0.00 H new ATOM 0 HB VAL A 70 6.230 10.453 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.229 9.475 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.127 11.251 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.672 10.269 7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.262 8.214 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.663 8.957 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.460 9.061 4.087 1.00 0.00 H new ATOM 1146 N ASP A 71 3.094 12.047 7.193 1.00 0.00 N ATOM 1147 CA ASP A 71 1.908 12.043 8.045 1.00 0.00 C ATOM 1148 C ASP A 71 0.706 12.600 7.304 1.00 0.00 C ATOM 1149 O ASP A 71 -0.261 11.887 7.033 1.00 0.00 O ATOM 1150 CB ASP A 71 2.163 12.852 9.320 1.00 0.00 C ATOM 1151 CG ASP A 71 1.872 12.055 10.577 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.500 10.992 10.765 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.015 12.494 11.373 1.00 0.00 O ATOM 0 H ASP A 71 3.902 12.518 7.599 1.00 0.00 H new ATOM 0 HA ASP A 71 1.693 11.010 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.201 13.184 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.542 13.748 9.309 1.00 0.00 H new ATOM 1158 N VAL A 72 0.783 13.873 6.968 1.00 0.00 N ATOM 1159 CA VAL A 72 -0.291 14.538 6.240 1.00 0.00 C ATOM 1160 C VAL A 72 -0.588 13.805 4.938 1.00 0.00 C ATOM 1161 O VAL A 72 -1.688 13.899 4.394 1.00 0.00 O ATOM 1162 CB VAL A 72 0.060 16.006 5.928 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.165 16.754 5.423 1.00 0.00 C ATOM 1164 CG2 VAL A 72 0.647 16.691 7.155 1.00 0.00 C ATOM 0 H VAL A 72 1.579 14.473 7.186 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.173 14.521 6.880 1.00 0.00 H new ATOM 0 HB VAL A 72 0.814 16.019 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.897 17.788 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.533 16.278 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.944 16.732 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.888 17.726 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.079 16.668 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.553 16.170 7.464 1.00 0.00 H new ATOM 1174 N HIS A 73 0.401 13.064 4.451 1.00 0.00 N ATOM 1175 CA HIS A 73 0.251 12.302 3.221 1.00 0.00 C ATOM 1176 C HIS A 73 -0.625 11.077 3.453 1.00 0.00 C ATOM 1177 O HIS A 73 -1.272 10.581 2.532 1.00 0.00 O ATOM 1178 CB HIS A 73 1.621 11.879 2.683 1.00 0.00 C ATOM 1179 CG HIS A 73 1.957 12.489 1.357 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.006 12.802 0.409 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.149 12.845 0.822 1.00 0.00 C ATOM 1182 CE1 HIS A 73 1.598 13.324 -0.651 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.898 13.362 -0.425 1.00 0.00 N ATOM 0 H HIS A 73 1.317 12.976 4.892 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.233 12.939 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.388 12.156 3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.647 10.793 2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.117 12.742 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.103 13.662 -1.549 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.602 13.718 -1.072 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.647 10.597 4.693 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.453 9.433 5.039 1.00 0.00 C ATOM 1194 C ILE A 74 -2.935 9.777 5.020 1.00 0.00 C ATOM 1195 O ILE A 74 -3.777 8.934 4.709 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.090 8.869 6.429 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.425 8.703 6.575 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.794 7.540 6.658 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.091 8.052 5.380 1.00 0.00 C ATOM 0 H ILE A 74 -0.119 10.994 5.470 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.239 8.672 4.288 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.426 9.580 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.874 9.683 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.631 8.106 7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.529 7.153 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.873 7.686 6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.485 6.828 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.163 7.970 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.672 7.058 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.918 8.659 4.492 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.244 11.021 5.356 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.623 11.484 5.381 1.00 0.00 C ATOM 1213 C ALA A 75 -5.150 11.705 3.973 1.00 0.00 C ATOM 1214 O ALA A 75 -6.333 11.500 3.700 1.00 0.00 O ATOM 1215 CB ALA A 75 -4.742 12.758 6.204 1.00 0.00 C ATOM 0 H ALA A 75 -2.557 11.729 5.615 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.231 10.711 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.780 13.090 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.415 12.563 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.116 13.535 5.765 1.00 0.00 H new ATOM 1221 N SER A 76 -4.262 12.113 3.081 1.00 0.00 N ATOM 1222 CA SER A 76 -4.631 12.351 1.692 1.00 0.00 C ATOM 1223 C SER A 76 -4.802 11.030 0.960 1.00 0.00 C ATOM 1224 O SER A 76 -5.589 10.924 0.020 1.00 0.00 O ATOM 1225 CB SER A 76 -3.576 13.211 0.994 1.00 0.00 C ATOM 1226 OG SER A 76 -2.299 13.029 1.581 1.00 0.00 O ATOM 0 H SER A 76 -3.279 12.287 3.293 1.00 0.00 H new ATOM 0 HA SER A 76 -5.579 12.888 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.533 12.952 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.861 14.261 1.054 1.00 0.00 H new ATOM 0 HG SER A 76 -2.126 12.071 1.696 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.070 10.022 1.411 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.150 8.702 0.815 1.00 0.00 C ATOM 1234 C LEU A 77 -5.491 8.066 1.140 1.00 0.00 C ATOM 1235 O LEU A 77 -6.053 7.323 0.337 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.012 7.815 1.320 1.00 0.00 C ATOM 1237 CG LEU A 77 -3.075 6.359 0.858 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.966 6.276 -0.656 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.977 5.544 1.522 1.00 0.00 C ATOM 0 H LEU A 77 -3.414 10.096 2.189 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.056 8.803 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.065 8.244 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.012 7.835 2.410 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.038 5.942 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.013 5.232 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.789 6.828 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.018 6.708 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.036 4.510 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.005 5.959 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.102 5.578 2.604 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.000 8.376 2.323 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.282 7.848 2.767 1.00 0.00 C ATOM 1253 C ARG A 78 -8.421 8.388 1.906 1.00 0.00 C ATOM 1254 O ARG A 78 -9.513 7.821 1.883 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.521 8.201 4.237 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.393 7.012 5.177 1.00 0.00 C ATOM 1257 CD ARG A 78 -6.371 7.271 6.273 1.00 0.00 C ATOM 1258 NE ARG A 78 -6.557 8.580 6.896 1.00 0.00 N ATOM 1259 CZ ARG A 78 -5.838 9.019 7.926 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -4.885 8.259 8.451 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -6.072 10.222 8.432 1.00 0.00 N ATOM 0 H ARG A 78 -5.543 8.993 2.995 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.257 6.763 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.809 8.970 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.517 8.631 4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.362 6.797 5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.102 6.128 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.449 6.493 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.367 7.208 5.854 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.280 9.193 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.701 7.333 8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.337 8.601 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.803 10.810 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.521 10.559 9.222 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.163 9.488 1.203 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.177 10.096 0.349 1.00 0.00 C ATOM 1277 C LYS A 79 -9.214 9.437 -1.022 1.00 0.00 C ATOM 1278 O LYS A 79 -10.281 9.236 -1.600 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.924 11.598 0.204 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.964 12.312 -0.644 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.042 13.791 -0.301 1.00 0.00 C ATOM 1282 CE LYS A 79 -11.439 14.345 -0.534 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.874 15.238 0.575 1.00 0.00 N ATOM 0 H LYS A 79 -7.266 9.973 1.208 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.146 9.943 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.902 12.051 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.940 11.751 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.718 12.195 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.939 11.850 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.760 13.939 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.324 14.344 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.459 14.897 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.145 13.520 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.831 15.595 0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.880 14.705 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.215 16.039 0.654 1.00 0.00 H new ATOM 1297 N LYS A 80 -8.042 9.108 -1.534 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.928 8.475 -2.837 1.00 0.00 C ATOM 1299 C LYS A 80 -7.973 6.959 -2.715 1.00 0.00 C ATOM 1300 O LYS A 80 -8.719 6.284 -3.424 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.635 8.908 -3.529 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.449 10.416 -3.580 1.00 0.00 C ATOM 1303 CD LYS A 80 -7.001 11.001 -4.870 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.473 12.405 -5.116 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.913 12.940 -6.434 1.00 0.00 N ATOM 0 H LYS A 80 -7.151 9.269 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.777 8.795 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.787 8.463 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.627 8.514 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.950 10.875 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.389 10.656 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.731 10.358 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.090 11.024 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.818 13.067 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.384 12.396 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.532 13.899 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.562 12.322 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.952 12.973 -6.466 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.165 6.438 -1.809 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.089 4.999 -1.573 1.00 0.00 C ATOM 1321 C LEU A 81 -8.460 4.422 -1.230 1.00 0.00 C ATOM 1322 O LEU A 81 -9.052 3.693 -2.026 1.00 0.00 O ATOM 1323 CB LEU A 81 -6.100 4.708 -0.442 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.852 3.228 -0.143 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.734 2.424 -1.429 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.598 3.067 0.701 1.00 0.00 C ATOM 0 H LEU A 81 -6.545 6.992 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.742 4.522 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.146 5.175 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.464 5.187 0.467 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.705 2.845 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.558 1.376 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.658 2.515 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.902 2.805 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.432 2.010 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.742 3.470 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.720 3.605 1.641 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.962 4.753 -0.043 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.261 4.257 0.376 1.00 0.00 C ATOM 1340 C GLY A 82 -10.197 3.445 1.656 1.00 0.00 C ATOM 1341 O GLY A 82 -9.527 3.832 2.613 1.00 0.00 O ATOM 0 H GLY A 82 -8.493 5.354 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.937 5.100 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.683 3.641 -0.418 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.902 2.316 1.672 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.932 1.443 2.842 1.00 0.00 C ATOM 1347 C ALA A 83 -9.557 0.847 3.138 1.00 0.00 C ATOM 1348 O ALA A 83 -9.320 0.327 4.228 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.955 0.335 2.643 1.00 0.00 C ATOM 0 H ALA A 83 -11.461 1.984 0.886 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.221 2.049 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.969 -0.310 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.943 0.773 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.688 -0.254 1.765 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.653 0.928 2.167 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.308 0.399 2.333 1.00 0.00 C ATOM 1357 C TYR A 84 -6.418 1.425 3.021 1.00 0.00 C ATOM 1358 O TYR A 84 -5.488 1.069 3.745 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.717 0.007 0.977 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.697 -0.714 0.078 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.357 -1.857 0.514 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -7.965 -0.251 -1.204 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -9.256 -2.517 -0.302 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -8.862 -0.906 -2.026 1.00 0.00 C ATOM 1365 CZ TYR A 84 -9.505 -2.038 -1.570 1.00 0.00 C ATOM 1366 OH TYR A 84 -10.399 -2.693 -2.386 1.00 0.00 O ATOM 0 H TYR A 84 -8.829 1.355 1.258 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.361 -0.492 2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.364 0.905 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.848 -0.630 1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.164 -2.236 1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.464 0.635 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.761 -3.404 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.059 -0.534 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.999 -3.529 -2.705 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.719 2.704 2.806 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.943 3.757 3.433 1.00 0.00 C ATOM 1378 C GLY A 85 -5.984 3.650 4.938 1.00 0.00 C ATOM 1379 O GLY A 85 -5.029 4.012 5.622 1.00 0.00 O ATOM 0 H GLY A 85 -7.483 3.027 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.910 3.702 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.330 4.729 3.125 1.00 0.00 H new ATOM 1383 N SER A 86 -7.092 3.132 5.454 1.00 0.00 N ATOM 1384 CA SER A 86 -7.251 2.952 6.887 1.00 0.00 C ATOM 1385 C SER A 86 -6.358 1.815 7.376 1.00 0.00 C ATOM 1386 O SER A 86 -6.160 1.642 8.579 1.00 0.00 O ATOM 1387 CB SER A 86 -8.712 2.658 7.231 1.00 0.00 C ATOM 1388 OG SER A 86 -9.109 3.345 8.405 1.00 0.00 O ATOM 0 H SER A 86 -7.893 2.830 4.899 1.00 0.00 H new ATOM 0 HA SER A 86 -6.955 3.874 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.351 2.954 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.847 1.585 7.371 1.00 0.00 H new ATOM 0 HG SER A 86 -10.047 3.141 8.602 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.817 1.040 6.432 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.942 -0.080 6.768 1.00 0.00 C ATOM 1396 C ARG A 87 -3.862 0.344 7.760 1.00 0.00 C ATOM 1397 O ARG A 87 -3.379 -0.469 8.549 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.295 -0.648 5.504 1.00 0.00 C ATOM 1399 CG ARG A 87 -3.503 -1.924 5.748 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.119 -2.608 4.443 1.00 0.00 C ATOM 1401 NE ARG A 87 -4.186 -2.540 3.446 1.00 0.00 N ATOM 1402 CZ ARG A 87 -5.341 -3.194 3.548 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -5.582 -3.973 4.594 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -6.258 -3.071 2.598 1.00 0.00 N ATOM 0 H ARG A 87 -5.971 1.169 5.432 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.552 -0.853 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.072 -0.848 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.633 0.104 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.602 -1.690 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.094 -2.608 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.220 -2.141 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.875 -3.652 4.641 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.037 -1.956 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.880 -4.074 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.469 -4.471 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.078 -2.476 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.143 -3.572 2.676 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.492 1.623 7.725 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.473 2.140 8.640 1.00 0.00 C ATOM 1420 C ILE A 88 -3.101 2.469 9.992 1.00 0.00 C ATOM 1421 O ILE A 88 -3.646 3.556 10.184 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.748 3.405 8.098 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.104 3.683 6.633 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.240 3.258 8.247 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.832 2.518 5.706 1.00 0.00 C ATOM 0 H ILE A 88 -3.877 2.314 7.081 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.726 1.353 8.742 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.088 4.254 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.160 3.947 6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.538 4.549 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.252 4.151 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.011 3.130 9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.098 2.388 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.109 2.791 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.772 2.267 5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.419 1.656 6.023 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.035 1.518 10.922 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.612 1.707 12.248 1.00 0.00 C ATOM 1439 C VAL A 89 -2.676 2.496 13.160 1.00 0.00 C ATOM 1440 O VAL A 89 -1.574 2.048 13.471 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.940 0.354 12.907 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.653 0.555 14.235 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.776 -0.506 11.971 1.00 0.00 C ATOM 0 H VAL A 89 -2.589 0.612 10.781 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.533 2.275 12.114 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.002 -0.165 13.105 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.874 -0.415 14.680 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.014 1.126 14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.583 1.098 14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.998 -1.458 12.453 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.708 0.009 11.738 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.222 -0.686 11.050 1.00 0.00 H new ATOM 1453 N THR A 90 -3.127 3.670 13.590 1.00 0.00 N ATOM 1454 CA THR A 90 -2.331 4.519 14.471 1.00 0.00 C ATOM 1455 C THR A 90 -2.697 4.275 15.932 1.00 0.00 C ATOM 1456 O THR A 90 -3.665 4.839 16.442 1.00 0.00 O ATOM 1457 CB THR A 90 -2.538 5.993 14.120 1.00 0.00 C ATOM 1458 OG1 THR A 90 -2.378 6.204 12.729 1.00 0.00 O ATOM 1459 CG2 THR A 90 -1.579 6.919 14.838 1.00 0.00 C ATOM 0 H THR A 90 -4.039 4.055 13.343 1.00 0.00 H new ATOM 0 HA THR A 90 -1.280 4.265 14.329 1.00 0.00 H new ATOM 0 HB THR A 90 -3.553 6.227 14.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.701 5.587 12.380 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.780 7.949 14.544 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.712 6.816 15.915 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.554 6.659 14.572 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.918 3.430 16.599 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.162 3.109 18.000 1.00 0.00 C ATOM 1469 C LEU A 91 -1.411 4.067 18.920 1.00 0.00 C ATOM 1470 O LEU A 91 -0.185 4.164 18.863 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.744 1.665 18.292 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.904 0.691 18.524 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.024 -0.285 17.364 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.719 -0.060 19.836 1.00 0.00 C ATOM 0 H LEU A 91 -1.112 2.955 16.192 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.230 3.218 18.192 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.144 1.300 17.458 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.102 1.659 19.173 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.827 1.267 18.585 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.853 -0.968 17.548 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.206 0.267 16.442 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.099 -0.854 17.270 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.553 -0.747 19.983 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.786 -0.623 19.804 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.685 0.652 20.661 1.00 0.00 H new ATOM 1486 N ARG A 92 -2.154 4.770 19.769 1.00 0.00 N ATOM 1487 CA ARG A 92 -1.556 5.717 20.703 1.00 0.00 C ATOM 1488 C ARG A 92 -0.814 4.982 21.815 1.00 0.00 C ATOM 1489 O ARG A 92 -1.243 4.979 22.969 1.00 0.00 O ATOM 1490 CB ARG A 92 -2.632 6.627 21.302 1.00 0.00 C ATOM 1491 CG ARG A 92 -3.855 5.875 21.803 1.00 0.00 C ATOM 1492 CD ARG A 92 -5.109 6.274 21.041 1.00 0.00 C ATOM 1493 NE ARG A 92 -6.300 6.236 21.886 1.00 0.00 N ATOM 1494 CZ ARG A 92 -6.950 5.117 22.201 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -6.528 3.945 21.743 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -8.024 5.171 22.977 1.00 0.00 N ATOM 0 H ARG A 92 -3.170 4.702 19.829 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.841 6.330 20.155 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.200 7.192 22.128 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.944 7.351 20.549 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.691 4.802 21.699 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.995 6.074 22.865 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.983 7.279 20.637 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.246 5.604 20.192 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.654 7.118 22.256 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.702 3.898 21.147 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.030 3.091 21.988 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.352 6.069 23.332 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.522 4.314 23.219 1.00 0.00 H new ATOM 1510 N GLY A 93 0.303 4.358 21.456 1.00 0.00 N ATOM 1511 CA GLY A 93 1.091 3.624 22.428 1.00 0.00 C ATOM 1512 C GLY A 93 2.086 2.689 21.770 1.00 0.00 C ATOM 1513 O GLY A 93 3.187 2.483 22.279 1.00 0.00 O ATOM 0 H GLY A 93 0.677 4.348 20.507 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.624 4.328 23.067 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.426 3.049 23.073 1.00 0.00 H new ATOM 1517 N VAL A 94 1.696 2.125 20.631 1.00 0.00 N ATOM 1518 CA VAL A 94 2.561 1.210 19.894 1.00 0.00 C ATOM 1519 C VAL A 94 3.146 1.896 18.665 1.00 0.00 C ATOM 1520 O VAL A 94 4.314 1.705 18.329 1.00 0.00 O ATOM 1521 CB VAL A 94 1.809 -0.061 19.443 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.754 -1.252 19.403 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.622 -0.348 20.352 1.00 0.00 C ATOM 0 H VAL A 94 0.786 2.286 20.198 1.00 0.00 H new ATOM 0 HA VAL A 94 3.360 0.918 20.575 1.00 0.00 H new ATOM 0 HB VAL A 94 1.426 0.112 18.437 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.208 -2.139 19.083 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.563 -1.051 18.701 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.170 -1.420 20.397 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.111 -1.248 20.010 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.973 -0.495 21.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.070 0.494 20.324 1.00 0.00 H new ATOM 1533 N GLY A 95 2.322 2.699 17.998 1.00 0.00 N ATOM 1534 CA GLY A 95 2.770 3.406 16.814 1.00 0.00 C ATOM 1535 C GLY A 95 1.880 3.155 15.615 1.00 0.00 C ATOM 1536 O GLY A 95 0.711 3.540 15.609 1.00 0.00 O ATOM 0 H GLY A 95 1.351 2.872 18.258 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.799 4.475 17.023 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.789 3.100 16.576 1.00 0.00 H new ATOM 1540 N TYR A 96 2.434 2.508 14.598 1.00 0.00 N ATOM 1541 CA TYR A 96 1.685 2.205 13.387 1.00 0.00 C ATOM 1542 C TYR A 96 1.509 0.701 13.228 1.00 0.00 C ATOM 1543 O TYR A 96 2.483 -0.034 13.063 1.00 0.00 O ATOM 1544 CB TYR A 96 2.396 2.789 12.160 1.00 0.00 C ATOM 1545 CG TYR A 96 1.598 3.853 11.431 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.206 3.836 11.425 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.240 4.881 10.753 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.517 4.810 10.765 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.523 5.858 10.089 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.145 5.819 10.099 1.00 0.00 C ATOM 1551 OH TYR A 96 -0.573 6.791 9.441 1.00 0.00 O ATOM 0 H TYR A 96 3.401 2.183 14.588 1.00 0.00 H new ATOM 0 HA TYR A 96 0.699 2.661 13.470 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.349 3.216 12.474 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.623 1.980 11.465 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.317 3.048 11.945 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.319 4.918 10.745 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.597 4.781 10.771 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.040 6.648 9.565 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.066 7.630 9.443 1.00 0.00 H new ATOM 1561 N LEU A 97 0.262 0.247 13.282 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.035 -1.173 13.148 1.00 0.00 C ATOM 1563 C LEU A 97 -0.705 -1.474 11.820 1.00 0.00 C ATOM 1564 O LEU A 97 -1.798 -0.987 11.536 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.937 -1.646 14.291 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.350 -3.123 14.239 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.494 -3.331 13.256 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -0.164 -4.003 13.870 1.00 0.00 C ATOM 0 H LEU A 97 -0.557 0.840 13.417 1.00 0.00 H new ATOM 0 HA LEU A 97 0.913 -1.709 13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.424 -1.463 15.235 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.839 -1.034 14.295 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.695 -3.411 15.232 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.770 -4.385 13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.353 -2.737 13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.179 -3.020 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.480 -5.046 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.216 -3.710 12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.623 -3.884 14.615 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.057 -2.302 11.020 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.612 -2.691 9.740 1.00 0.00 C ATOM 1582 C PHE A 98 -1.556 -3.869 9.941 1.00 0.00 C ATOM 1583 O PHE A 98 -1.124 -5.008 10.098 1.00 0.00 O ATOM 1584 CB PHE A 98 0.502 -3.044 8.749 1.00 0.00 C ATOM 1585 CG PHE A 98 1.577 -1.995 8.646 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.298 -0.664 8.918 1.00 0.00 C ATOM 1587 CD2 PHE A 98 2.867 -2.343 8.276 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.285 0.299 8.823 1.00 0.00 C ATOM 1589 CE2 PHE A 98 3.857 -1.384 8.179 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.565 -0.062 8.453 1.00 0.00 C ATOM 0 H PHE A 98 0.850 -2.716 11.235 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.170 -1.854 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.956 -3.989 9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.063 -3.200 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.298 -0.377 9.207 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.101 -3.375 8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.055 1.332 9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.858 -1.668 7.889 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.338 0.689 8.378 1.00 0.00 H new ATOM 1600 N SER A 99 -2.848 -3.571 9.974 1.00 0.00 N ATOM 1601 CA SER A 99 -3.879 -4.587 10.195 1.00 0.00 C ATOM 1602 C SER A 99 -3.550 -5.897 9.478 1.00 0.00 C ATOM 1603 O SER A 99 -3.094 -5.901 8.334 1.00 0.00 O ATOM 1604 CB SER A 99 -5.238 -4.067 9.726 1.00 0.00 C ATOM 1605 OG SER A 99 -5.686 -2.999 10.543 1.00 0.00 O ATOM 0 H SER A 99 -3.213 -2.627 9.850 1.00 0.00 H new ATOM 0 HA SER A 99 -3.914 -4.792 11.265 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.165 -3.732 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.968 -4.876 9.748 1.00 0.00 H new ATOM 0 HG SER A 99 -6.556 -2.683 10.221 1.00 0.00 H new