USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 Single : A 10 THR OG1 : rot 180:sc= -0.0867 USER MOD Single : A 11 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3!) USER MOD Single : A 13 SER OG : rot 44:sc= 0.45 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -7.49! C(o=-7.5!,f=-23!) USER MOD Single : A 19 TYR OH : rot 180:sc= -3.12! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 130:sc= -2.71! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.9!) USER MOD Single : A 30 ASN : amide:sc=-0.00678 X(o=-0.0068,f=0.23) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.142 (180deg=-0.82) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= -0.254! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 1:sc= 0.81 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.35) USER MOD Single : A 82 CYS SG : rot -178:sc= -5.77! USER MOD Single : A 84 GLN : amide:sc= -1.03 K(o=-1,f=-5.5!) USER MOD Single : A 85 ASN : amide:sc= -0.921 X(o=-0.92,f=-0.9) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -67:sc= -0.881! USER MOD Single : A 95 SER OG : rot -79:sc= 0.906 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 -1.512 -0.096 -5.278 1.00 0.00 N ATOM 32 CA LEU A 9 -2.819 -0.728 -5.217 1.00 0.00 C ATOM 33 C LEU A 9 -2.666 -2.231 -5.459 1.00 0.00 C ATOM 34 O LEU A 9 -3.372 -3.036 -4.852 1.00 0.00 O ATOM 35 CB LEU A 9 -3.790 -0.045 -6.183 1.00 0.00 C ATOM 36 CG LEU A 9 -3.864 1.480 -6.092 1.00 0.00 C ATOM 37 CD1 LEU A 9 -5.173 2.002 -6.689 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.661 1.955 -4.652 1.00 0.00 C ATOM 0 HA LEU A 9 -3.255 -0.607 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.509 -0.315 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.788 -0.448 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.050 1.897 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.200 3.089 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.236 1.711 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.016 1.578 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.718 3.043 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.437 1.530 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.683 1.631 -4.297 1.00 0.00 H new ATOM 50 N THR A 10 -1.740 -2.564 -6.346 1.00 0.00 N ATOM 51 CA THR A 10 -1.486 -3.956 -6.676 1.00 0.00 C ATOM 52 C THR A 10 -1.075 -4.734 -5.424 1.00 0.00 C ATOM 53 O THR A 10 -1.608 -5.809 -5.154 1.00 0.00 O ATOM 54 CB THR A 10 -0.435 -3.995 -7.787 1.00 0.00 C ATOM 55 OG1 THR A 10 0.658 -3.250 -7.257 1.00 0.00 O ATOM 56 CG2 THR A 10 -0.862 -3.202 -9.024 1.00 0.00 C ATOM 0 H THR A 10 -1.156 -1.894 -6.846 1.00 0.00 H new ATOM 0 HA THR A 10 -2.387 -4.446 -7.044 1.00 0.00 H new ATOM 0 HB THR A 10 -0.242 -5.030 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.386 -3.226 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.081 -3.262 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.787 -3.619 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.022 -2.159 -8.750 1.00 0.00 H new ATOM 64 N GLN A 11 -0.131 -4.160 -4.693 1.00 0.00 N ATOM 65 CA GLN A 11 0.358 -4.786 -3.476 1.00 0.00 C ATOM 66 C GLN A 11 -0.681 -4.660 -2.360 1.00 0.00 C ATOM 67 O GLN A 11 -0.805 -5.548 -1.518 1.00 0.00 O ATOM 68 CB GLN A 11 1.697 -4.182 -3.048 1.00 0.00 C ATOM 69 CG GLN A 11 2.842 -5.171 -3.276 1.00 0.00 C ATOM 70 CD GLN A 11 4.164 -4.436 -3.506 1.00 0.00 C ATOM 71 OE1 GLN A 11 4.214 -3.360 -4.080 1.00 0.00 O ATOM 72 NE2 GLN A 11 5.228 -5.075 -3.028 1.00 0.00 N ATOM 0 H GLN A 11 0.308 -3.268 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 11 0.522 -5.845 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.884 -3.267 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.655 -3.905 -1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.934 -5.831 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.617 -5.801 -4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.115 -5.973 -2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.157 -4.667 -3.132 1.00 0.00 H new ATOM 81 N LEU A 12 -1.403 -3.549 -2.389 1.00 0.00 N ATOM 82 CA LEU A 12 -2.427 -3.295 -1.391 1.00 0.00 C ATOM 83 C LEU A 12 -3.284 -4.551 -1.215 1.00 0.00 C ATOM 84 O LEU A 12 -3.560 -4.966 -0.091 1.00 0.00 O ATOM 85 CB LEU A 12 -3.233 -2.047 -1.755 1.00 0.00 C ATOM 86 CG LEU A 12 -3.518 -1.074 -0.609 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.062 -1.813 0.615 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.277 -0.244 -0.272 1.00 0.00 C ATOM 0 H LEU A 12 -1.298 -2.814 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.971 -3.081 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.698 -1.509 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.185 -2.365 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.291 -0.379 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.256 -1.098 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.989 -2.322 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.329 -2.546 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.507 0.439 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.466 -0.908 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.973 0.328 -1.148 1.00 0.00 H new ATOM 100 N SER A 13 -3.681 -5.120 -2.344 1.00 0.00 N ATOM 101 CA SER A 13 -4.501 -6.320 -2.329 1.00 0.00 C ATOM 102 C SER A 13 -4.514 -6.961 -3.717 1.00 0.00 C ATOM 103 O SER A 13 -5.578 -7.162 -4.302 1.00 0.00 O ATOM 104 CB SER A 13 -5.928 -6.006 -1.875 1.00 0.00 C ATOM 105 OG SER A 13 -6.117 -6.272 -0.488 1.00 0.00 O ATOM 0 H SER A 13 -3.450 -4.773 -3.275 1.00 0.00 H new ATOM 0 HA SER A 13 -4.068 -7.022 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.151 -4.958 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.633 -6.599 -2.457 1.00 0.00 H new ATOM 0 HG SER A 13 -5.351 -5.929 0.018 1.00 0.00 H new ATOM 111 N SER A 14 -3.321 -7.265 -4.206 1.00 0.00 N ATOM 112 CA SER A 14 -3.182 -7.880 -5.515 1.00 0.00 C ATOM 113 C SER A 14 -3.873 -7.019 -6.573 1.00 0.00 C ATOM 114 O SER A 14 -4.174 -7.495 -7.667 1.00 0.00 O ATOM 115 CB SER A 14 -3.761 -9.297 -5.522 1.00 0.00 C ATOM 116 OG SER A 14 -2.785 -10.271 -5.881 1.00 0.00 O ATOM 0 H SER A 14 -2.441 -7.097 -3.719 1.00 0.00 H new ATOM 0 HA SER A 14 -2.120 -7.950 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.160 -9.530 -4.535 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.595 -9.344 -6.222 1.00 0.00 H new ATOM 0 HG SER A 14 -3.193 -11.162 -5.872 1.00 0.00 H new ATOM 122 N GLY A 15 -4.105 -5.766 -6.211 1.00 0.00 N ATOM 123 CA GLY A 15 -4.756 -4.833 -7.117 1.00 0.00 C ATOM 124 C GLY A 15 -6.267 -5.071 -7.156 1.00 0.00 C ATOM 125 O GLY A 15 -6.847 -5.223 -8.230 1.00 0.00 O ATOM 0 H GLY A 15 -3.854 -5.374 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.553 -3.810 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.341 -4.944 -8.119 1.00 0.00 H new ATOM 129 N ASN A 16 -6.860 -5.095 -5.972 1.00 0.00 N ATOM 130 CA ASN A 16 -8.293 -5.312 -5.857 1.00 0.00 C ATOM 131 C ASN A 16 -9.020 -3.975 -6.015 1.00 0.00 C ATOM 132 O ASN A 16 -8.775 -3.038 -5.257 1.00 0.00 O ATOM 133 CB ASN A 16 -8.655 -5.888 -4.487 1.00 0.00 C ATOM 134 CG ASN A 16 -10.094 -6.407 -4.473 1.00 0.00 C ATOM 135 OD1 ASN A 16 -10.943 -5.979 -5.238 1.00 0.00 O ATOM 136 ND2 ASN A 16 -10.321 -7.349 -3.563 1.00 0.00 N ATOM 0 H ASN A 16 -6.375 -4.968 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.591 -6.016 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.970 -6.698 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.534 -5.121 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.251 -7.759 -3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.565 -7.662 -2.954 1.00 0.00 H new ATOM 143 N PRO A 17 -9.924 -3.929 -7.030 1.00 0.00 N ATOM 144 CA PRO A 17 -10.689 -2.723 -7.296 1.00 0.00 C ATOM 145 C PRO A 17 -11.795 -2.534 -6.257 1.00 0.00 C ATOM 146 O PRO A 17 -12.422 -1.477 -6.196 1.00 0.00 O ATOM 147 CB PRO A 17 -11.225 -2.900 -8.708 1.00 0.00 C ATOM 148 CG PRO A 17 -11.131 -4.388 -9.005 1.00 0.00 C ATOM 149 CD PRO A 17 -10.241 -5.020 -7.947 1.00 0.00 C ATOM 0 HA PRO A 17 -10.085 -1.818 -7.223 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.255 -2.551 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.641 -2.321 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.121 -4.843 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.717 -4.553 -10.000 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.753 -5.833 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.338 -5.441 -8.389 1.00 0.00 H new ATOM 157 N VAL A 18 -12.002 -3.575 -5.463 1.00 0.00 N ATOM 158 CA VAL A 18 -13.022 -3.537 -4.429 1.00 0.00 C ATOM 159 C VAL A 18 -12.928 -2.209 -3.675 1.00 0.00 C ATOM 160 O VAL A 18 -13.948 -1.604 -3.347 1.00 0.00 O ATOM 161 CB VAL A 18 -12.884 -4.756 -3.514 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.594 -4.683 -2.695 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.105 -4.898 -2.603 1.00 0.00 C ATOM 0 H VAL A 18 -11.480 -4.450 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.017 -3.590 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.831 -5.644 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.520 -5.561 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.737 -4.652 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.604 -3.784 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.982 -5.772 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.203 -4.006 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.001 -5.018 -3.212 1.00 0.00 H new ATOM 173 N TYR A 19 -11.695 -1.795 -3.421 1.00 0.00 N ATOM 174 CA TYR A 19 -11.455 -0.550 -2.712 1.00 0.00 C ATOM 175 C TYR A 19 -11.918 0.650 -3.539 1.00 0.00 C ATOM 176 O TYR A 19 -12.456 1.614 -2.994 1.00 0.00 O ATOM 177 CB TYR A 19 -9.941 -0.464 -2.513 1.00 0.00 C ATOM 178 CG TYR A 19 -9.432 -1.206 -1.275 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.888 -0.851 -0.022 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.518 -2.231 -1.412 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.409 -1.549 1.143 1.00 0.00 C ATOM 182 CE2 TYR A 19 -8.039 -2.929 -0.248 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.508 -2.554 0.972 1.00 0.00 C ATOM 184 OH TYR A 19 -8.056 -3.214 2.072 1.00 0.00 O ATOM 0 H TYR A 19 -10.852 -2.300 -3.694 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.002 -0.533 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.445 -0.869 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.654 0.585 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.604 -0.050 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.162 -2.509 -2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.757 -1.281 2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.323 -3.732 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.419 -3.907 1.799 1.00 0.00 H new ATOM 194 N GLU A 20 -11.693 0.554 -4.841 1.00 0.00 N ATOM 195 CA GLU A 20 -12.081 1.620 -5.749 1.00 0.00 C ATOM 196 C GLU A 20 -13.553 1.984 -5.543 1.00 0.00 C ATOM 197 O GLU A 20 -13.943 3.136 -5.725 1.00 0.00 O ATOM 198 CB GLU A 20 -11.811 1.227 -7.203 1.00 0.00 C ATOM 199 CG GLU A 20 -10.775 2.156 -7.838 1.00 0.00 C ATOM 200 CD GLU A 20 -11.443 3.152 -8.789 1.00 0.00 C ATOM 201 OE1 GLU A 20 -11.993 4.167 -8.337 1.00 0.00 O ATOM 202 OE2 GLU A 20 -11.374 2.842 -10.039 1.00 0.00 O ATOM 0 H GLU A 20 -11.247 -0.246 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.476 2.499 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.456 0.197 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.739 1.268 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.239 2.696 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.037 1.566 -8.382 1.00 0.00 H new ATOM 210 N LYS A 21 -14.330 0.979 -5.165 1.00 0.00 N ATOM 211 CA LYS A 21 -15.750 1.179 -4.932 1.00 0.00 C ATOM 212 C LYS A 21 -15.940 2.194 -3.804 1.00 0.00 C ATOM 213 O LYS A 21 -16.756 3.108 -3.916 1.00 0.00 O ATOM 214 CB LYS A 21 -16.445 -0.160 -4.678 1.00 0.00 C ATOM 215 CG LYS A 21 -17.315 -0.097 -3.420 1.00 0.00 C ATOM 216 CD LYS A 21 -18.583 0.721 -3.671 1.00 0.00 C ATOM 217 CE LYS A 21 -19.266 1.092 -2.354 1.00 0.00 C ATOM 218 NZ LYS A 21 -20.146 -0.008 -1.899 1.00 0.00 N ATOM 0 H LYS A 21 -14.003 0.025 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.226 1.596 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.061 -0.423 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.698 -0.946 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.585 -1.106 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.747 0.347 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.332 1.627 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.271 0.149 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.514 1.302 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.850 2.003 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.602 0.260 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.875 -0.189 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.580 -0.869 -1.755 1.00 0.00 H new ATOM 229 N TYR A 22 -15.172 2.001 -2.741 1.00 0.00 N ATOM 230 CA TYR A 22 -15.246 2.888 -1.593 1.00 0.00 C ATOM 231 C TYR A 22 -14.613 4.245 -1.908 1.00 0.00 C ATOM 232 O TYR A 22 -15.183 5.288 -1.591 1.00 0.00 O ATOM 233 CB TYR A 22 -14.441 2.209 -0.483 1.00 0.00 C ATOM 234 CG TYR A 22 -14.851 0.760 -0.214 1.00 0.00 C ATOM 235 CD1 TYR A 22 -16.187 0.415 -0.187 1.00 0.00 C ATOM 236 CD2 TYR A 22 -13.885 -0.202 0.000 1.00 0.00 C ATOM 237 CE1 TYR A 22 -16.573 -0.950 0.066 1.00 0.00 C ATOM 238 CE2 TYR A 22 -14.271 -1.566 0.253 1.00 0.00 C ATOM 239 CZ TYR A 22 -15.596 -1.873 0.274 1.00 0.00 C ATOM 240 OH TYR A 22 -15.960 -3.161 0.512 1.00 0.00 O ATOM 0 H TYR A 22 -14.495 1.243 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.284 3.063 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.384 2.233 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.553 2.784 0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -16.943 1.168 -0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.840 0.068 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.615 -1.234 0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.525 -2.328 0.422 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.455 -3.758 -0.079 1.00 0.00 H new ATOM 250 N TYR A 23 -13.444 4.188 -2.528 1.00 0.00 N ATOM 251 CA TYR A 23 -12.728 5.399 -2.889 1.00 0.00 C ATOM 252 C TYR A 23 -13.613 6.332 -3.719 1.00 0.00 C ATOM 253 O TYR A 23 -13.417 7.546 -3.714 1.00 0.00 O ATOM 254 CB TYR A 23 -11.541 4.949 -3.743 1.00 0.00 C ATOM 255 CG TYR A 23 -10.963 6.049 -4.636 1.00 0.00 C ATOM 256 CD1 TYR A 23 -10.051 6.948 -4.121 1.00 0.00 C ATOM 257 CD2 TYR A 23 -11.355 6.144 -5.955 1.00 0.00 C ATOM 258 CE1 TYR A 23 -9.507 7.983 -4.961 1.00 0.00 C ATOM 259 CE2 TYR A 23 -10.812 7.179 -6.796 1.00 0.00 C ATOM 260 CZ TYR A 23 -9.914 8.048 -6.257 1.00 0.00 C ATOM 261 OH TYR A 23 -9.401 9.026 -7.050 1.00 0.00 O ATOM 0 H TYR A 23 -12.974 3.321 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.418 5.942 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.754 4.578 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.854 4.114 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.745 6.875 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.070 5.441 -6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.792 8.692 -4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.110 7.264 -7.830 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.781 8.950 -7.950 1.00 0.00 H new ATOM 271 N ARG A 24 -14.567 5.729 -4.412 1.00 0.00 N ATOM 272 CA ARG A 24 -15.483 6.490 -5.245 1.00 0.00 C ATOM 273 C ARG A 24 -16.666 6.989 -4.414 1.00 0.00 C ATOM 274 O ARG A 24 -17.284 7.998 -4.751 1.00 0.00 O ATOM 275 CB ARG A 24 -16.005 5.642 -6.407 1.00 0.00 C ATOM 276 CG ARG A 24 -16.828 6.491 -7.379 1.00 0.00 C ATOM 277 CD ARG A 24 -16.043 6.770 -8.662 1.00 0.00 C ATOM 278 NE ARG A 24 -16.913 6.564 -9.842 1.00 0.00 N ATOM 279 CZ ARG A 24 -16.529 6.795 -11.115 1.00 0.00 C ATOM 280 NH1 ARG A 24 -15.284 7.241 -11.385 1.00 0.00 N ATOM 281 NH2 ARG A 24 -17.389 6.577 -12.093 1.00 0.00 N ATOM 0 H ARG A 24 -14.726 4.721 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.935 7.341 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -15.167 5.187 -6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.618 4.828 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.757 5.975 -7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -17.101 7.433 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.665 7.792 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.177 6.111 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.862 6.226 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.625 7.406 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.002 7.413 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.328 6.239 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.115 6.747 -13.061 1.00 0.00 H new ATOM 294 N GLN A 25 -16.947 6.259 -3.345 1.00 0.00 N ATOM 295 CA GLN A 25 -18.046 6.615 -2.463 1.00 0.00 C ATOM 296 C GLN A 25 -17.801 7.989 -1.838 1.00 0.00 C ATOM 297 O GLN A 25 -18.732 8.779 -1.681 1.00 0.00 O ATOM 298 CB GLN A 25 -18.250 5.550 -1.384 1.00 0.00 C ATOM 299 CG GLN A 25 -18.997 4.338 -1.943 1.00 0.00 C ATOM 300 CD GLN A 25 -20.057 3.844 -0.957 1.00 0.00 C ATOM 301 OE1 GLN A 25 -21.247 3.859 -1.225 1.00 0.00 O ATOM 302 NE2 GLN A 25 -19.561 3.406 0.197 1.00 0.00 N ATOM 0 H GLN A 25 -16.433 5.422 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.960 6.665 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.283 5.236 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.810 5.974 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.470 4.603 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.290 3.536 -2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.554 3.421 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.188 3.055 0.921 1.00 0.00 H new ATOM 311 N VAL A 26 -16.544 8.234 -1.498 1.00 0.00 N ATOM 312 CA VAL A 26 -16.165 9.500 -0.894 1.00 0.00 C ATOM 313 C VAL A 26 -16.193 10.598 -1.959 1.00 0.00 C ATOM 314 O VAL A 26 -16.617 11.720 -1.688 1.00 0.00 O ATOM 315 CB VAL A 26 -14.804 9.366 -0.209 1.00 0.00 C ATOM 316 CG1 VAL A 26 -14.615 7.961 0.367 1.00 0.00 C ATOM 317 CG2 VAL A 26 -13.669 9.721 -1.171 1.00 0.00 C ATOM 0 H VAL A 26 -15.775 7.577 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 26 -16.878 9.782 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.775 10.074 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.639 7.893 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.396 7.760 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.675 7.227 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.712 9.618 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.696 9.049 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.789 10.749 -1.511 1.00 0.00 H new ATOM 327 N GLU A 27 -15.736 10.235 -3.149 1.00 0.00 N ATOM 328 CA GLU A 27 -15.703 11.175 -4.256 1.00 0.00 C ATOM 329 C GLU A 27 -16.961 12.047 -4.250 1.00 0.00 C ATOM 330 O GLU A 27 -18.055 11.562 -3.968 1.00 0.00 O ATOM 331 CB GLU A 27 -15.550 10.444 -5.591 1.00 0.00 C ATOM 332 CG GLU A 27 -15.505 11.435 -6.757 1.00 0.00 C ATOM 333 CD GLU A 27 -16.565 11.095 -7.806 1.00 0.00 C ATOM 334 OE1 GLU A 27 -16.666 9.935 -8.232 1.00 0.00 O ATOM 335 OE2 GLU A 27 -17.301 12.086 -8.179 1.00 0.00 O ATOM 0 H GLU A 27 -15.386 9.303 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.835 11.822 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.638 9.848 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.381 9.753 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.667 12.447 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.516 11.418 -7.215 1.00 0.00 H new ATOM 343 N ALA A 28 -16.762 13.319 -4.564 1.00 0.00 N ATOM 344 CA ALA A 28 -17.866 14.262 -4.598 1.00 0.00 C ATOM 345 C ALA A 28 -17.790 15.083 -5.887 1.00 0.00 C ATOM 346 O ALA A 28 -16.786 15.041 -6.595 1.00 0.00 O ATOM 347 CB ALA A 28 -17.827 15.140 -3.345 1.00 0.00 C ATOM 0 H ALA A 28 -15.853 13.718 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.820 13.735 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.656 15.848 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.913 14.512 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.884 15.686 -3.313 1.00 0.00 H new ATOM 353 N GLY A 29 -18.866 15.810 -6.152 1.00 0.00 N ATOM 354 CA GLY A 29 -18.934 16.639 -7.343 1.00 0.00 C ATOM 355 C GLY A 29 -19.100 15.782 -8.599 1.00 0.00 C ATOM 356 O GLY A 29 -19.398 14.592 -8.508 1.00 0.00 O ATOM 0 H GLY A 29 -19.697 15.842 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.770 17.334 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.028 17.239 -7.425 1.00 0.00 H new ATOM 360 N ASN A 30 -18.900 16.419 -9.743 1.00 0.00 N ATOM 361 CA ASN A 30 -19.024 15.730 -11.016 1.00 0.00 C ATOM 362 C ASN A 30 -17.711 15.859 -11.791 1.00 0.00 C ATOM 363 O ASN A 30 -17.717 15.957 -13.017 1.00 0.00 O ATOM 364 CB ASN A 30 -20.138 16.341 -11.868 1.00 0.00 C ATOM 365 CG ASN A 30 -20.875 15.262 -12.664 1.00 0.00 C ATOM 366 OD1 ASN A 30 -20.303 14.553 -13.475 1.00 0.00 O ATOM 367 ND2 ASN A 30 -22.173 15.178 -12.387 1.00 0.00 N ATOM 0 H ASN A 30 -18.653 17.406 -9.815 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.259 14.685 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.843 16.870 -11.226 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.715 17.077 -12.552 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.753 14.489 -12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.589 15.803 -11.696 1.00 0.00 H new ATOM 374 N THR A 31 -16.617 15.855 -11.044 1.00 0.00 N ATOM 375 CA THR A 31 -15.299 15.971 -11.646 1.00 0.00 C ATOM 376 C THR A 31 -14.671 14.587 -11.824 1.00 0.00 C ATOM 377 O THR A 31 -13.874 14.376 -12.737 1.00 0.00 O ATOM 378 CB THR A 31 -14.463 16.911 -10.776 1.00 0.00 C ATOM 379 OG1 THR A 31 -14.750 16.498 -9.442 1.00 0.00 O ATOM 380 CG2 THR A 31 -14.958 18.357 -10.833 1.00 0.00 C ATOM 0 H THR A 31 -16.616 15.773 -10.027 1.00 0.00 H new ATOM 0 HA THR A 31 -15.357 16.398 -12.647 1.00 0.00 H new ATOM 0 HB THR A 31 -13.422 16.871 -11.096 1.00 0.00 H new ATOM 0 HG1 THR A 31 -14.247 17.055 -8.812 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.330 18.982 -10.198 1.00 0.00 H new ATOM 0 HG22 THR A 31 -14.909 18.718 -11.860 1.00 0.00 H new ATOM 0 HG23 THR A 31 -15.989 18.403 -10.481 1.00 0.00 H new ATOM 388 N GLY A 32 -15.053 13.681 -10.936 1.00 0.00 N ATOM 389 CA GLY A 32 -14.536 12.323 -10.984 1.00 0.00 C ATOM 390 C GLY A 32 -13.276 12.186 -10.127 1.00 0.00 C ATOM 391 O GLY A 32 -12.452 11.304 -10.366 1.00 0.00 O ATOM 0 H GLY A 32 -15.714 13.860 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.297 11.627 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.310 12.052 -12.015 1.00 0.00 H new ATOM 395 N ARG A 33 -13.164 13.072 -9.149 1.00 0.00 N ATOM 396 CA ARG A 33 -12.018 13.060 -8.256 1.00 0.00 C ATOM 397 C ARG A 33 -12.481 13.087 -6.798 1.00 0.00 C ATOM 398 O ARG A 33 -13.655 13.324 -6.519 1.00 0.00 O ATOM 399 CB ARG A 33 -11.106 14.261 -8.516 1.00 0.00 C ATOM 400 CG ARG A 33 -9.885 13.852 -9.343 1.00 0.00 C ATOM 401 CD ARG A 33 -8.759 14.878 -9.202 1.00 0.00 C ATOM 402 NE ARG A 33 -8.595 15.628 -10.466 1.00 0.00 N ATOM 403 CZ ARG A 33 -8.062 15.108 -11.592 1.00 0.00 C ATOM 404 NH1 ARG A 33 -7.635 13.827 -11.620 1.00 0.00 N ATOM 405 NH2 ARG A 33 -7.964 15.870 -12.666 1.00 0.00 N ATOM 0 H ARG A 33 -13.848 13.803 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.458 12.144 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.662 15.038 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.781 14.688 -7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.533 12.873 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.167 13.758 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.984 15.567 -8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.827 14.374 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.904 16.600 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.714 13.245 -10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.233 13.442 -12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.289 16.837 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.564 15.492 -13.525 1.00 0.00 H new ATOM 418 N VAL A 34 -11.533 12.840 -5.905 1.00 0.00 N ATOM 419 CA VAL A 34 -11.829 12.833 -4.482 1.00 0.00 C ATOM 420 C VAL A 34 -11.456 14.189 -3.881 1.00 0.00 C ATOM 421 O VAL A 34 -10.279 14.544 -3.823 1.00 0.00 O ATOM 422 CB VAL A 34 -11.114 11.662 -3.805 1.00 0.00 C ATOM 423 CG1 VAL A 34 -11.233 11.753 -2.283 1.00 0.00 C ATOM 424 CG2 VAL A 34 -11.649 10.323 -4.317 1.00 0.00 C ATOM 0 H VAL A 34 -10.560 12.643 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.896 12.686 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.057 11.721 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.716 10.909 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.783 12.684 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.285 11.731 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.124 9.507 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.715 10.252 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.489 10.255 -5.393 1.00 0.00 H new ATOM 434 N LEU A 35 -12.479 14.911 -3.449 1.00 0.00 N ATOM 435 CA LEU A 35 -12.273 16.221 -2.854 1.00 0.00 C ATOM 436 C LEU A 35 -11.411 16.076 -1.598 1.00 0.00 C ATOM 437 O LEU A 35 -10.920 17.067 -1.060 1.00 0.00 O ATOM 438 CB LEU A 35 -13.615 16.912 -2.602 1.00 0.00 C ATOM 439 CG LEU A 35 -13.909 18.140 -3.467 1.00 0.00 C ATOM 440 CD1 LEU A 35 -15.371 18.570 -3.328 1.00 0.00 C ATOM 441 CD2 LEU A 35 -12.943 19.281 -3.145 1.00 0.00 C ATOM 0 H LEU A 35 -13.453 14.614 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.730 16.870 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.411 16.184 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.656 17.211 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.750 17.869 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.554 19.444 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.022 17.755 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.580 18.817 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.174 20.141 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.046 19.560 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.920 18.956 -3.336 1.00 0.00 H new ATOM 453 N ALA A 36 -11.253 14.833 -1.168 1.00 0.00 N ATOM 454 CA ALA A 36 -10.459 14.546 0.014 1.00 0.00 C ATOM 455 C ALA A 36 -11.331 14.704 1.261 1.00 0.00 C ATOM 456 O ALA A 36 -11.438 13.783 2.070 1.00 0.00 O ATOM 457 CB ALA A 36 -9.233 15.461 0.041 1.00 0.00 C ATOM 0 H ALA A 36 -11.661 14.013 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.098 13.518 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.637 15.245 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.631 15.289 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.556 16.502 0.065 1.00 0.00 H new ATOM 463 N LEU A 37 -11.933 15.879 1.378 1.00 0.00 N ATOM 464 CA LEU A 37 -12.793 16.170 2.512 1.00 0.00 C ATOM 465 C LEU A 37 -13.706 14.970 2.776 1.00 0.00 C ATOM 466 O LEU A 37 -13.973 14.630 3.927 1.00 0.00 O ATOM 467 CB LEU A 37 -13.550 17.480 2.288 1.00 0.00 C ATOM 468 CG LEU A 37 -12.883 18.743 2.838 1.00 0.00 C ATOM 469 CD1 LEU A 37 -13.150 18.896 4.336 1.00 0.00 C ATOM 470 CD2 LEU A 37 -11.386 18.755 2.519 1.00 0.00 C ATOM 0 H LEU A 37 -11.842 16.641 0.706 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.197 16.322 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.701 17.610 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.537 17.388 2.741 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.326 19.607 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.665 19.801 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.224 18.965 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.752 18.031 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.936 19.663 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.911 17.884 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.244 18.727 1.439 1.00 0.00 H new ATOM 482 N ASP A 38 -14.158 14.361 1.689 1.00 0.00 N ATOM 483 CA ASP A 38 -15.035 13.207 1.789 1.00 0.00 C ATOM 484 C ASP A 38 -14.218 11.987 2.220 1.00 0.00 C ATOM 485 O ASP A 38 -14.680 11.179 3.023 1.00 0.00 O ATOM 486 CB ASP A 38 -15.683 12.889 0.440 1.00 0.00 C ATOM 487 CG ASP A 38 -17.092 13.454 0.250 1.00 0.00 C ATOM 488 OD1 ASP A 38 -17.279 14.673 0.123 1.00 0.00 O ATOM 489 OD2 ASP A 38 -18.035 12.574 0.234 1.00 0.00 O ATOM 0 H ASP A 38 -13.933 14.645 0.735 1.00 0.00 H new ATOM 0 HA ASP A 38 -15.813 13.437 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.043 13.275 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.723 11.806 0.319 1.00 0.00 H new ATOM 495 N ALA A 39 -13.018 11.893 1.666 1.00 0.00 N ATOM 496 CA ALA A 39 -12.132 10.786 1.983 1.00 0.00 C ATOM 497 C ALA A 39 -11.912 10.732 3.497 1.00 0.00 C ATOM 498 O ALA A 39 -11.927 9.655 4.092 1.00 0.00 O ATOM 499 CB ALA A 39 -10.822 10.941 1.209 1.00 0.00 C ATOM 0 H ALA A 39 -12.639 12.566 0.999 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.579 9.839 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.158 10.110 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.030 10.944 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.343 11.880 1.488 1.00 0.00 H new ATOM 505 N ALA A 40 -11.712 11.906 4.076 1.00 0.00 N ATOM 506 CA ALA A 40 -11.489 12.007 5.508 1.00 0.00 C ATOM 507 C ALA A 40 -12.785 11.668 6.247 1.00 0.00 C ATOM 508 O ALA A 40 -12.754 11.247 7.402 1.00 0.00 O ATOM 509 CB ALA A 40 -10.973 13.406 5.848 1.00 0.00 C ATOM 0 H ALA A 40 -11.700 12.797 3.579 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.730 11.293 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.806 13.481 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.036 13.586 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.709 14.150 5.543 1.00 0.00 H new ATOM 515 N ALA A 41 -13.895 11.865 5.550 1.00 0.00 N ATOM 516 CA ALA A 41 -15.200 11.586 6.125 1.00 0.00 C ATOM 517 C ALA A 41 -15.438 10.075 6.130 1.00 0.00 C ATOM 518 O ALA A 41 -15.842 9.510 7.144 1.00 0.00 O ATOM 519 CB ALA A 41 -16.275 12.343 5.343 1.00 0.00 C ATOM 0 H ALA A 41 -13.917 12.215 4.592 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.245 11.930 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -17.254 12.134 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -16.077 13.414 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -16.261 12.022 4.301 1.00 0.00 H new ATOM 525 N PHE A 42 -15.176 9.463 4.984 1.00 0.00 N ATOM 526 CA PHE A 42 -15.357 8.028 4.843 1.00 0.00 C ATOM 527 C PHE A 42 -14.435 7.264 5.795 1.00 0.00 C ATOM 528 O PHE A 42 -14.750 6.148 6.207 1.00 0.00 O ATOM 529 CB PHE A 42 -14.991 7.671 3.401 1.00 0.00 C ATOM 530 CG PHE A 42 -15.348 6.237 3.005 1.00 0.00 C ATOM 531 CD1 PHE A 42 -16.636 5.914 2.709 1.00 0.00 C ATOM 532 CD2 PHE A 42 -14.379 5.285 2.950 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.968 4.583 2.342 1.00 0.00 C ATOM 534 CE2 PHE A 42 -14.711 3.954 2.583 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.999 3.631 2.287 1.00 0.00 C ATOM 0 H PHE A 42 -14.840 9.935 4.145 1.00 0.00 H new ATOM 0 HA PHE A 42 -16.386 7.757 5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -15.499 8.360 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.920 7.820 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.406 6.670 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.357 5.541 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.990 4.327 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.941 3.198 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.252 2.619 2.008 1.00 0.00 H new ATOM 545 N LEU A 43 -13.315 7.894 6.117 1.00 0.00 N ATOM 546 CA LEU A 43 -12.345 7.287 7.012 1.00 0.00 C ATOM 547 C LEU A 43 -12.882 7.333 8.445 1.00 0.00 C ATOM 548 O LEU A 43 -12.838 6.333 9.160 1.00 0.00 O ATOM 549 CB LEU A 43 -10.976 7.949 6.847 1.00 0.00 C ATOM 550 CG LEU A 43 -10.230 7.631 5.550 1.00 0.00 C ATOM 551 CD1 LEU A 43 -9.028 8.561 5.367 1.00 0.00 C ATOM 552 CD2 LEU A 43 -9.826 6.157 5.495 1.00 0.00 C ATOM 0 H LEU A 43 -13.058 8.819 5.774 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.198 6.237 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.106 9.029 6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.347 7.652 7.687 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.907 7.810 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.515 8.314 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.371 9.595 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.341 8.437 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.298 5.959 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.174 5.927 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.718 5.533 5.546 1.00 0.00 H new ATOM 564 N LYS A 44 -13.376 8.504 8.820 1.00 0.00 N ATOM 565 CA LYS A 44 -13.920 8.693 10.154 1.00 0.00 C ATOM 566 C LYS A 44 -14.904 7.563 10.464 1.00 0.00 C ATOM 567 O LYS A 44 -15.163 7.263 11.628 1.00 0.00 O ATOM 568 CB LYS A 44 -14.526 10.091 10.291 1.00 0.00 C ATOM 569 CG LYS A 44 -15.954 10.126 9.741 1.00 0.00 C ATOM 570 CD LYS A 44 -16.949 10.545 10.826 1.00 0.00 C ATOM 571 CE LYS A 44 -18.194 11.185 10.209 1.00 0.00 C ATOM 572 NZ LYS A 44 -17.840 12.442 9.512 1.00 0.00 N ATOM 0 H LYS A 44 -13.411 9.331 8.224 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.127 8.639 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.529 10.389 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.909 10.813 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.008 10.822 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.223 9.143 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.237 9.675 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.473 11.250 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.657 10.491 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.929 11.389 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.658 13.084 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.041 12.896 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.572 12.231 8.530 1.00 0.00 H new ATOM 583 N LYS A 45 -15.425 6.967 9.401 1.00 0.00 N ATOM 584 CA LYS A 45 -16.375 5.877 9.545 1.00 0.00 C ATOM 585 C LYS A 45 -15.696 4.707 10.260 1.00 0.00 C ATOM 586 O LYS A 45 -16.365 3.882 10.881 1.00 0.00 O ATOM 587 CB LYS A 45 -16.973 5.504 8.187 1.00 0.00 C ATOM 588 CG LYS A 45 -17.648 6.713 7.535 1.00 0.00 C ATOM 589 CD LYS A 45 -19.171 6.597 7.611 1.00 0.00 C ATOM 590 CE LYS A 45 -19.794 6.618 6.214 1.00 0.00 C ATOM 591 NZ LYS A 45 -21.125 5.972 6.229 1.00 0.00 N ATOM 0 H LYS A 45 -15.207 7.218 8.437 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.218 6.185 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.189 5.124 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.700 4.701 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.324 7.627 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.337 6.790 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.444 5.673 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.572 7.419 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.887 7.647 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.141 6.102 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.533 5.995 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.028 4.984 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.751 6.482 6.885 1.00 0.00 H new ATOM 602 N SER A 46 -14.376 4.672 10.150 1.00 0.00 N ATOM 603 CA SER A 46 -13.600 3.617 10.778 1.00 0.00 C ATOM 604 C SER A 46 -13.993 3.485 12.251 1.00 0.00 C ATOM 605 O SER A 46 -14.537 2.462 12.663 1.00 0.00 O ATOM 606 CB SER A 46 -12.100 3.887 10.651 1.00 0.00 C ATOM 607 OG SER A 46 -11.638 4.812 11.632 1.00 0.00 O ATOM 0 H SER A 46 -13.824 5.358 9.635 1.00 0.00 H new ATOM 0 HA SER A 46 -13.818 2.680 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.553 2.949 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.885 4.277 9.656 1.00 0.00 H new ATOM 0 HG SER A 46 -11.795 5.727 11.318 1.00 0.00 H new ATOM 613 N GLY A 47 -13.701 4.535 13.005 1.00 0.00 N ATOM 614 CA GLY A 47 -14.017 4.549 14.423 1.00 0.00 C ATOM 615 C GLY A 47 -13.002 5.389 15.202 1.00 0.00 C ATOM 616 O GLY A 47 -13.273 5.812 16.324 1.00 0.00 O ATOM 0 H GLY A 47 -13.249 5.382 12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.019 4.952 14.572 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.023 3.529 14.808 1.00 0.00 H new ATOM 620 N LEU A 48 -11.855 5.604 14.576 1.00 0.00 N ATOM 621 CA LEU A 48 -10.798 6.385 15.196 1.00 0.00 C ATOM 622 C LEU A 48 -11.271 7.830 15.366 1.00 0.00 C ATOM 623 O LEU A 48 -12.221 8.257 14.711 1.00 0.00 O ATOM 624 CB LEU A 48 -9.497 6.253 14.402 1.00 0.00 C ATOM 625 CG LEU A 48 -8.705 4.963 14.621 1.00 0.00 C ATOM 626 CD1 LEU A 48 -7.685 4.749 13.502 1.00 0.00 C ATOM 627 CD2 LEU A 48 -8.049 4.952 16.004 1.00 0.00 C ATOM 0 H LEU A 48 -11.634 5.251 13.645 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.576 6.002 16.192 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.732 6.336 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.855 7.097 14.653 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.401 4.125 14.587 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.136 3.825 13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.203 4.682 12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.988 5.587 13.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.492 4.024 16.135 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.369 5.799 16.091 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.819 5.025 16.772 1.00 0.00 H new ATOM 639 N PRO A 49 -10.569 8.562 16.273 1.00 0.00 N ATOM 640 CA PRO A 49 -10.908 9.950 16.537 1.00 0.00 C ATOM 641 C PRO A 49 -10.443 10.855 15.395 1.00 0.00 C ATOM 642 O PRO A 49 -10.020 10.370 14.346 1.00 0.00 O ATOM 643 CB PRO A 49 -10.236 10.273 17.862 1.00 0.00 C ATOM 644 CG PRO A 49 -9.169 9.208 18.059 1.00 0.00 C ATOM 645 CD PRO A 49 -9.439 8.089 17.066 1.00 0.00 C ATOM 0 HA PRO A 49 -11.983 10.116 16.599 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.794 11.269 17.843 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.957 10.259 18.679 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.176 9.628 17.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.194 8.827 19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.568 7.897 16.439 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.676 7.156 17.576 1.00 0.00 H new ATOM 653 N ASP A 50 -10.536 12.154 15.636 1.00 0.00 N ATOM 654 CA ASP A 50 -10.130 13.132 14.641 1.00 0.00 C ATOM 655 C ASP A 50 -8.649 13.463 14.832 1.00 0.00 C ATOM 656 O ASP A 50 -7.924 13.669 13.859 1.00 0.00 O ATOM 657 CB ASP A 50 -10.927 14.429 14.786 1.00 0.00 C ATOM 658 CG ASP A 50 -11.526 14.969 13.485 1.00 0.00 C ATOM 659 OD1 ASP A 50 -12.341 14.300 12.832 1.00 0.00 O ATOM 660 OD2 ASP A 50 -11.119 16.145 13.144 1.00 0.00 O ATOM 0 H ASP A 50 -10.887 12.553 16.507 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.313 12.705 13.655 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.735 14.264 15.499 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.276 15.192 15.213 1.00 0.00 H new ATOM 666 N LEU A 51 -8.242 13.504 16.092 1.00 0.00 N ATOM 667 CA LEU A 51 -6.860 13.807 16.423 1.00 0.00 C ATOM 668 C LEU A 51 -5.944 12.776 15.761 1.00 0.00 C ATOM 669 O LEU A 51 -5.000 13.139 15.060 1.00 0.00 O ATOM 670 CB LEU A 51 -6.682 13.905 17.940 1.00 0.00 C ATOM 671 CG LEU A 51 -6.057 12.685 18.621 1.00 0.00 C ATOM 672 CD1 LEU A 51 -5.208 13.104 19.823 1.00 0.00 C ATOM 673 CD2 LEU A 51 -7.129 11.663 19.005 1.00 0.00 C ATOM 0 H LEU A 51 -8.845 13.332 16.896 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.578 14.783 16.029 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.063 14.775 18.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.658 14.087 18.390 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.390 12.200 17.909 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.775 12.219 20.289 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.409 13.767 19.491 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.834 13.626 20.547 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.659 10.806 19.487 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.839 12.122 19.693 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.654 11.332 18.109 1.00 0.00 H new ATOM 685 N ILE A 52 -6.254 11.512 16.006 1.00 0.00 N ATOM 686 CA ILE A 52 -5.471 10.426 15.443 1.00 0.00 C ATOM 687 C ILE A 52 -5.568 10.472 13.916 1.00 0.00 C ATOM 688 O ILE A 52 -4.604 10.158 13.220 1.00 0.00 O ATOM 689 CB ILE A 52 -5.898 9.087 16.046 1.00 0.00 C ATOM 690 CG1 ILE A 52 -5.411 8.956 17.491 1.00 0.00 C ATOM 691 CG2 ILE A 52 -5.431 7.919 15.176 1.00 0.00 C ATOM 692 CD1 ILE A 52 -4.108 8.156 17.560 1.00 0.00 C ATOM 0 H ILE A 52 -7.038 11.215 16.588 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.418 10.543 15.700 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.987 9.055 16.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.257 9.947 17.918 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.176 8.465 18.093 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.748 6.979 15.628 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.868 8.009 14.181 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.344 7.935 15.098 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.784 8.078 18.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.272 7.158 17.155 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.339 8.662 16.977 1.00 0.00 H new ATOM 704 N LEU A 53 -6.741 10.865 13.442 1.00 0.00 N ATOM 705 CA LEU A 53 -6.976 10.955 12.011 1.00 0.00 C ATOM 706 C LEU A 53 -6.046 12.012 11.411 1.00 0.00 C ATOM 707 O LEU A 53 -5.275 11.719 10.499 1.00 0.00 O ATOM 708 CB LEU A 53 -8.458 11.208 11.727 1.00 0.00 C ATOM 709 CG LEU A 53 -9.266 9.999 11.252 1.00 0.00 C ATOM 710 CD1 LEU A 53 -10.762 10.320 11.211 1.00 0.00 C ATOM 711 CD2 LEU A 53 -8.752 9.491 9.904 1.00 0.00 C ATOM 0 H LEU A 53 -7.538 11.125 14.023 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.739 10.008 11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.921 11.595 12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.534 11.990 10.972 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.129 9.193 11.973 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.313 9.444 10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.102 10.597 12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.938 11.149 10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.344 8.631 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.838 10.283 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.707 9.196 10.001 1.00 0.00 H new ATOM 723 N GLY A 54 -6.150 13.219 11.947 1.00 0.00 N ATOM 724 CA GLY A 54 -5.328 14.320 11.476 1.00 0.00 C ATOM 725 C GLY A 54 -3.910 13.846 11.151 1.00 0.00 C ATOM 726 O GLY A 54 -3.340 14.235 10.133 1.00 0.00 O ATOM 0 H GLY A 54 -6.791 13.459 12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.780 14.762 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.289 15.100 12.236 1.00 0.00 H new ATOM 730 N LYS A 55 -3.382 13.013 12.035 1.00 0.00 N ATOM 731 CA LYS A 55 -2.042 12.481 11.855 1.00 0.00 C ATOM 732 C LYS A 55 -1.982 11.694 10.544 1.00 0.00 C ATOM 733 O LYS A 55 -1.075 11.892 9.738 1.00 0.00 O ATOM 734 CB LYS A 55 -1.618 11.669 13.080 1.00 0.00 C ATOM 735 CG LYS A 55 -0.960 12.565 14.132 1.00 0.00 C ATOM 736 CD LYS A 55 0.504 12.178 14.344 1.00 0.00 C ATOM 737 CE LYS A 55 0.698 11.485 15.694 1.00 0.00 C ATOM 738 NZ LYS A 55 1.883 12.032 16.392 1.00 0.00 N ATOM 0 H LYS A 55 -3.858 12.693 12.878 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.318 13.292 11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.488 11.174 13.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.923 10.886 12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.022 13.607 13.818 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.502 12.483 15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.829 11.516 13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.130 13.069 14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.190 11.622 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.820 10.412 15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.000 11.551 17.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.731 11.879 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.752 13.051 16.552 1.00 0.00 H new ATOM 749 N ILE A 56 -2.960 10.817 10.373 1.00 0.00 N ATOM 750 CA ILE A 56 -3.030 9.999 9.174 1.00 0.00 C ATOM 751 C ILE A 56 -2.996 10.904 7.941 1.00 0.00 C ATOM 752 O ILE A 56 -2.159 10.725 7.058 1.00 0.00 O ATOM 753 CB ILE A 56 -4.249 9.075 9.226 1.00 0.00 C ATOM 754 CG1 ILE A 56 -4.118 8.057 10.361 1.00 0.00 C ATOM 755 CG2 ILE A 56 -4.483 8.400 7.874 1.00 0.00 C ATOM 756 CD1 ILE A 56 -5.129 6.921 10.197 1.00 0.00 C ATOM 0 H ILE A 56 -3.710 10.655 11.045 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.163 9.341 9.111 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.129 9.682 9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.107 7.650 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.275 8.553 11.319 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.355 7.749 7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.654 9.161 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.608 7.808 7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.015 6.211 11.016 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.140 7.329 10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.954 6.412 9.249 1.00 0.00 H new ATOM 768 N TRP A 57 -3.917 11.856 7.921 1.00 0.00 N ATOM 769 CA TRP A 57 -4.003 12.790 6.811 1.00 0.00 C ATOM 770 C TRP A 57 -2.635 13.455 6.645 1.00 0.00 C ATOM 771 O TRP A 57 -2.061 13.438 5.557 1.00 0.00 O ATOM 772 CB TRP A 57 -5.135 13.797 7.027 1.00 0.00 C ATOM 773 CG TRP A 57 -5.542 14.556 5.764 1.00 0.00 C ATOM 774 CD1 TRP A 57 -5.009 15.683 5.270 1.00 0.00 C ATOM 775 CD2 TRP A 57 -6.597 14.197 4.847 1.00 0.00 C ATOM 776 NE1 TRP A 57 -5.641 16.074 4.107 1.00 0.00 N ATOM 777 CE2 TRP A 57 -6.637 15.142 3.842 1.00 0.00 C ATOM 778 CE3 TRP A 57 -7.488 13.109 4.866 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -7.550 15.095 2.781 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -8.394 13.077 3.799 1.00 0.00 C ATOM 781 CH2 TRP A 57 -8.448 14.020 2.780 1.00 0.00 C ATOM 0 H TRP A 57 -4.610 12.001 8.655 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.251 12.268 5.887 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -6.006 13.271 7.419 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.828 14.515 7.787 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -4.188 16.218 5.725 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.418 16.896 3.545 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.474 12.358 5.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.561 15.847 2.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.101 12.261 3.766 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -9.179 13.925 1.991 1.00 0.00 H new ATOM 792 N ASP A 58 -2.153 14.024 7.740 1.00 0.00 N ATOM 793 CA ASP A 58 -0.863 14.694 7.729 1.00 0.00 C ATOM 794 C ASP A 58 0.148 13.831 6.972 1.00 0.00 C ATOM 795 O ASP A 58 0.897 14.335 6.137 1.00 0.00 O ATOM 796 CB ASP A 58 -0.338 14.900 9.151 1.00 0.00 C ATOM 797 CG ASP A 58 0.711 16.004 9.300 1.00 0.00 C ATOM 798 OD1 ASP A 58 0.445 17.063 9.888 1.00 0.00 O ATOM 799 OD2 ASP A 58 1.859 15.739 8.774 1.00 0.00 O ATOM 0 H ASP A 58 -2.632 14.035 8.640 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.990 15.664 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.180 15.130 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.091 13.962 9.503 1.00 0.00 H new ATOM 805 N LEU A 59 0.137 12.545 7.292 1.00 0.00 N ATOM 806 CA LEU A 59 1.044 11.607 6.652 1.00 0.00 C ATOM 807 C LEU A 59 0.533 11.288 5.246 1.00 0.00 C ATOM 808 O LEU A 59 1.319 10.986 4.350 1.00 0.00 O ATOM 809 CB LEU A 59 1.242 10.370 7.530 1.00 0.00 C ATOM 810 CG LEU A 59 2.064 9.235 6.915 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.186 8.332 6.046 1.00 0.00 C ATOM 812 CD2 LEU A 59 3.264 9.785 6.140 1.00 0.00 C ATOM 0 H LEU A 59 -0.485 12.131 7.986 1.00 0.00 H new ATOM 0 HA LEU A 59 2.033 12.051 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.724 10.680 8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.261 9.978 7.797 1.00 0.00 H new ATOM 0 HG LEU A 59 2.458 8.620 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.794 7.534 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.393 7.899 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.744 8.920 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.831 8.958 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.913 10.436 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.904 10.354 6.815 1.00 0.00 H new ATOM 824 N ALA A 60 -0.781 11.366 5.097 1.00 0.00 N ATOM 825 CA ALA A 60 -1.407 11.089 3.815 1.00 0.00 C ATOM 826 C ALA A 60 -1.022 12.183 2.818 1.00 0.00 C ATOM 827 O ALA A 60 -0.326 11.919 1.838 1.00 0.00 O ATOM 828 CB ALA A 60 -2.922 10.976 4.000 1.00 0.00 C ATOM 0 H ALA A 60 -1.430 11.617 5.843 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.056 10.138 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.391 10.768 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.144 10.166 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.311 11.913 4.399 1.00 0.00 H new ATOM 834 N ASP A 61 -1.491 13.390 3.101 1.00 0.00 N ATOM 835 CA ASP A 61 -1.204 14.525 2.241 1.00 0.00 C ATOM 836 C ASP A 61 0.230 14.415 1.720 1.00 0.00 C ATOM 837 O ASP A 61 1.169 14.273 2.502 1.00 0.00 O ATOM 838 CB ASP A 61 -1.329 15.843 3.008 1.00 0.00 C ATOM 839 CG ASP A 61 -0.718 17.059 2.309 1.00 0.00 C ATOM 840 OD1 ASP A 61 -1.349 17.682 1.443 1.00 0.00 O ATOM 841 OD2 ASP A 61 0.476 17.364 2.691 1.00 0.00 O ATOM 0 H ASP A 61 -2.068 13.606 3.914 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.921 14.516 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.385 16.041 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.853 15.726 3.982 1.00 0.00 H new ATOM 847 N THR A 62 0.354 14.486 0.402 1.00 0.00 N ATOM 848 CA THR A 62 1.659 14.396 -0.232 1.00 0.00 C ATOM 849 C THR A 62 1.608 14.991 -1.641 1.00 0.00 C ATOM 850 O THR A 62 2.509 15.728 -2.039 1.00 0.00 O ATOM 851 CB THR A 62 2.097 12.930 -0.207 1.00 0.00 C ATOM 852 OG1 THR A 62 2.511 12.715 1.140 1.00 0.00 O ATOM 853 CG2 THR A 62 3.363 12.683 -1.030 1.00 0.00 C ATOM 0 H THR A 62 -0.427 14.605 -0.243 1.00 0.00 H new ATOM 0 HA THR A 62 2.403 14.981 0.308 1.00 0.00 H new ATOM 0 HB THR A 62 1.290 12.303 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.387 13.539 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.630 11.628 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.182 12.961 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.180 13.284 -0.630 1.00 0.00 H new ATOM 861 N ASP A 63 0.547 14.649 -2.355 1.00 0.00 N ATOM 862 CA ASP A 63 0.367 15.140 -3.711 1.00 0.00 C ATOM 863 C ASP A 63 0.539 16.660 -3.725 1.00 0.00 C ATOM 864 O ASP A 63 1.322 17.193 -4.510 1.00 0.00 O ATOM 865 CB ASP A 63 -1.034 14.818 -4.233 1.00 0.00 C ATOM 866 CG ASP A 63 -1.267 15.149 -5.708 1.00 0.00 C ATOM 867 OD1 ASP A 63 -0.724 14.487 -6.605 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.055 16.147 -5.925 1.00 0.00 O ATOM 0 H ASP A 63 -0.198 14.037 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 63 1.108 14.655 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.227 13.756 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.763 15.364 -3.634 1.00 0.00 H new ATOM 874 N GLY A 64 -0.205 17.316 -2.847 1.00 0.00 N ATOM 875 CA GLY A 64 -0.145 18.764 -2.748 1.00 0.00 C ATOM 876 C GLY A 64 -1.519 19.349 -2.416 1.00 0.00 C ATOM 877 O GLY A 64 -1.708 19.934 -1.350 1.00 0.00 O ATOM 0 H GLY A 64 -0.853 16.871 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.571 19.050 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.214 19.182 -3.689 1.00 0.00 H new ATOM 881 N LYS A 65 -2.444 19.170 -3.348 1.00 0.00 N ATOM 882 CA LYS A 65 -3.796 19.672 -3.167 1.00 0.00 C ATOM 883 C LYS A 65 -4.557 18.745 -2.218 1.00 0.00 C ATOM 884 O LYS A 65 -4.179 17.588 -2.038 1.00 0.00 O ATOM 885 CB LYS A 65 -4.481 19.864 -4.521 1.00 0.00 C ATOM 886 CG LYS A 65 -5.005 21.294 -4.673 1.00 0.00 C ATOM 887 CD LYS A 65 -5.703 21.482 -6.021 1.00 0.00 C ATOM 888 CE LYS A 65 -6.933 22.382 -5.881 1.00 0.00 C ATOM 889 NZ LYS A 65 -6.650 23.733 -6.414 1.00 0.00 N ATOM 0 H LYS A 65 -2.284 18.684 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.778 20.658 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.777 19.644 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.306 19.158 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.701 21.518 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.178 21.999 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.007 21.920 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.001 20.512 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.775 21.943 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.223 22.452 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.495 24.331 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.860 24.156 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.396 23.663 -7.420 1.00 0.00 H new ATOM 900 N GLY A 66 -5.617 19.287 -1.637 1.00 0.00 N ATOM 901 CA GLY A 66 -6.435 18.522 -0.711 1.00 0.00 C ATOM 902 C GLY A 66 -6.893 17.205 -1.342 1.00 0.00 C ATOM 903 O GLY A 66 -6.836 16.155 -0.705 1.00 0.00 O ATOM 0 H GLY A 66 -5.928 20.246 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.867 18.316 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.304 19.110 -0.417 1.00 0.00 H new ATOM 907 N VAL A 67 -7.337 17.305 -2.586 1.00 0.00 N ATOM 908 CA VAL A 67 -7.803 16.135 -3.311 1.00 0.00 C ATOM 909 C VAL A 67 -6.889 14.949 -2.998 1.00 0.00 C ATOM 910 O VAL A 67 -5.695 15.126 -2.763 1.00 0.00 O ATOM 911 CB VAL A 67 -7.890 16.446 -4.806 1.00 0.00 C ATOM 912 CG1 VAL A 67 -8.555 15.297 -5.567 1.00 0.00 C ATOM 913 CG2 VAL A 67 -8.626 17.765 -5.051 1.00 0.00 C ATOM 0 H VAL A 67 -7.384 18.178 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.809 15.863 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.874 16.555 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.604 15.544 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.972 14.386 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.563 15.142 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.673 17.962 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.637 17.698 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.092 18.577 -4.556 1.00 0.00 H new ATOM 923 N LEU A 68 -7.485 13.766 -3.006 1.00 0.00 N ATOM 924 CA LEU A 68 -6.739 12.550 -2.727 1.00 0.00 C ATOM 925 C LEU A 68 -6.410 11.845 -4.044 1.00 0.00 C ATOM 926 O LEU A 68 -6.686 12.372 -5.121 1.00 0.00 O ATOM 927 CB LEU A 68 -7.500 11.672 -1.732 1.00 0.00 C ATOM 928 CG LEU A 68 -7.513 12.158 -0.281 1.00 0.00 C ATOM 929 CD1 LEU A 68 -7.973 11.047 0.665 1.00 0.00 C ATOM 930 CD2 LEU A 68 -6.149 12.724 0.119 1.00 0.00 C ATOM 0 H LEU A 68 -8.476 13.623 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.790 12.787 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.531 11.581 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.067 10.672 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.235 12.970 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.973 11.419 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.980 10.732 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.294 10.198 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.185 13.062 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.389 11.949 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.900 13.564 -0.529 1.00 0.00 H new ATOM 942 N SER A 69 -5.825 10.663 -3.915 1.00 0.00 N ATOM 943 CA SER A 69 -5.455 9.880 -5.082 1.00 0.00 C ATOM 944 C SER A 69 -5.586 8.387 -4.773 1.00 0.00 C ATOM 945 O SER A 69 -5.819 8.005 -3.627 1.00 0.00 O ATOM 946 CB SER A 69 -4.031 10.205 -5.535 1.00 0.00 C ATOM 947 OG SER A 69 -3.741 11.596 -5.428 1.00 0.00 O ATOM 0 H SER A 69 -5.598 10.229 -3.020 1.00 0.00 H new ATOM 0 HA SER A 69 -6.133 10.137 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.321 9.639 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.897 9.885 -6.568 1.00 0.00 H new ATOM 0 HG SER A 69 -2.822 11.762 -5.725 1.00 0.00 H new ATOM 953 N LYS A 70 -5.430 7.584 -5.815 1.00 0.00 N ATOM 954 CA LYS A 70 -5.527 6.141 -5.669 1.00 0.00 C ATOM 955 C LYS A 70 -4.760 5.706 -4.419 1.00 0.00 C ATOM 956 O LYS A 70 -5.329 5.636 -3.330 1.00 0.00 O ATOM 957 CB LYS A 70 -5.066 5.441 -6.949 1.00 0.00 C ATOM 958 CG LYS A 70 -3.887 6.181 -7.584 1.00 0.00 C ATOM 959 CD LYS A 70 -4.324 6.925 -8.848 1.00 0.00 C ATOM 960 CE LYS A 70 -3.663 8.303 -8.929 1.00 0.00 C ATOM 961 NZ LYS A 70 -3.120 8.538 -10.285 1.00 0.00 N ATOM 0 H LYS A 70 -5.237 7.905 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.565 5.841 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.777 4.415 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.892 5.390 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.468 6.888 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.097 5.471 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.061 6.339 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.408 7.037 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.390 9.077 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.862 8.373 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.675 9.477 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.411 7.810 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.892 8.492 -10.981 1.00 0.00 H new ATOM 972 N GLN A 71 -3.480 5.426 -4.617 1.00 0.00 N ATOM 973 CA GLN A 71 -2.629 5.000 -3.519 1.00 0.00 C ATOM 974 C GLN A 71 -2.939 5.813 -2.260 1.00 0.00 C ATOM 975 O GLN A 71 -3.180 5.248 -1.195 1.00 0.00 O ATOM 976 CB GLN A 71 -1.151 5.114 -3.895 1.00 0.00 C ATOM 977 CG GLN A 71 -0.424 3.787 -3.669 1.00 0.00 C ATOM 978 CD GLN A 71 0.599 3.907 -2.537 1.00 0.00 C ATOM 979 OE1 GLN A 71 1.346 4.867 -2.441 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.589 2.884 -1.688 1.00 0.00 N ATOM 0 H GLN A 71 -3.012 5.486 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.837 3.951 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.060 5.409 -4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.680 5.897 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.148 3.008 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.079 3.483 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.063 2.112 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.233 2.871 -0.897 1.00 0.00 H new ATOM 989 N GLU A 72 -2.923 7.128 -2.425 1.00 0.00 N ATOM 990 CA GLU A 72 -3.199 8.025 -1.316 1.00 0.00 C ATOM 991 C GLU A 72 -4.333 7.468 -0.453 1.00 0.00 C ATOM 992 O GLU A 72 -4.097 6.985 0.653 1.00 0.00 O ATOM 993 CB GLU A 72 -3.531 9.431 -1.817 1.00 0.00 C ATOM 994 CG GLU A 72 -2.314 10.353 -1.711 1.00 0.00 C ATOM 995 CD GLU A 72 -2.695 11.693 -1.078 1.00 0.00 C ATOM 996 OE1 GLU A 72 -2.996 12.656 -1.798 1.00 0.00 O ATOM 997 OE2 GLU A 72 -2.672 11.712 0.212 1.00 0.00 O ATOM 0 H GLU A 72 -2.723 7.593 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.302 8.097 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.865 9.382 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.356 9.843 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.540 9.872 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.893 10.521 -2.702 1.00 0.00 H new ATOM 1005 N PHE A 73 -5.541 7.555 -0.992 1.00 0.00 N ATOM 1006 CA PHE A 73 -6.712 7.066 -0.286 1.00 0.00 C ATOM 1007 C PHE A 73 -6.561 5.585 0.069 1.00 0.00 C ATOM 1008 O PHE A 73 -7.035 5.142 1.114 1.00 0.00 O ATOM 1009 CB PHE A 73 -7.905 7.232 -1.229 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.164 6.488 -0.778 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -9.368 5.200 -1.166 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.079 7.114 0.010 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -10.536 4.509 -0.747 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.247 6.423 0.428 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.450 5.135 0.041 1.00 0.00 C ATOM 0 H PHE A 73 -5.733 7.957 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.845 7.623 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.136 8.293 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.623 6.879 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.642 4.703 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.917 8.137 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.698 3.486 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.974 6.920 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.338 4.609 0.360 1.00 0.00 H new ATOM 1025 N PHE A 74 -5.898 4.862 -0.820 1.00 0.00 N ATOM 1026 CA PHE A 74 -5.678 3.440 -0.614 1.00 0.00 C ATOM 1027 C PHE A 74 -4.632 3.200 0.477 1.00 0.00 C ATOM 1028 O PHE A 74 -4.384 2.059 0.863 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.158 2.872 -1.936 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.226 2.161 -2.770 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.241 2.874 -3.326 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.159 0.815 -2.956 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -8.232 2.215 -4.101 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -7.150 0.155 -3.730 1.00 0.00 C ATOM 1035 CZ PHE A 74 -8.166 0.869 -4.286 1.00 0.00 C ATOM 0 H PHE A 74 -5.506 5.233 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 74 -6.606 2.961 -0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.732 3.683 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.350 2.172 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.294 3.943 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.352 0.248 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.038 2.782 -4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.097 -0.914 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.920 0.367 -4.874 1.00 0.00 H new ATOM 1045 N VAL A 75 -4.047 4.294 0.943 1.00 0.00 N ATOM 1046 CA VAL A 75 -3.034 4.216 1.981 1.00 0.00 C ATOM 1047 C VAL A 75 -3.657 4.601 3.325 1.00 0.00 C ATOM 1048 O VAL A 75 -3.492 3.890 4.315 1.00 0.00 O ATOM 1049 CB VAL A 75 -1.834 5.088 1.607 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -1.116 5.598 2.859 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -0.870 4.330 0.693 1.00 0.00 C ATOM 0 H VAL A 75 -4.256 5.239 0.621 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.661 3.196 2.075 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.206 5.953 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.267 6.215 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.806 6.192 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.763 4.751 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.026 4.972 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.508 3.439 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.388 4.038 -0.221 1.00 0.00 H new ATOM 1061 N ALA A 76 -4.360 5.724 3.315 1.00 0.00 N ATOM 1062 CA ALA A 76 -5.008 6.211 4.521 1.00 0.00 C ATOM 1063 C ALA A 76 -5.956 5.136 5.056 1.00 0.00 C ATOM 1064 O ALA A 76 -6.269 5.115 6.245 1.00 0.00 O ATOM 1065 CB ALA A 76 -5.730 7.526 4.217 1.00 0.00 C ATOM 0 H ALA A 76 -4.495 6.310 2.491 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.270 6.415 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.216 7.892 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.009 8.265 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.480 7.359 3.444 1.00 0.00 H new ATOM 1071 N LEU A 77 -6.385 4.268 4.151 1.00 0.00 N ATOM 1072 CA LEU A 77 -7.291 3.193 4.517 1.00 0.00 C ATOM 1073 C LEU A 77 -6.635 2.323 5.591 1.00 0.00 C ATOM 1074 O LEU A 77 -6.967 2.432 6.771 1.00 0.00 O ATOM 1075 CB LEU A 77 -7.726 2.412 3.275 1.00 0.00 C ATOM 1076 CG LEU A 77 -9.184 2.589 2.848 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.504 1.734 1.620 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -10.135 2.298 4.011 1.00 0.00 C ATOM 0 H LEU A 77 -6.122 4.288 3.166 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.207 3.597 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.086 2.706 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.547 1.352 3.456 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.332 3.631 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.547 1.879 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.859 2.030 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.334 0.683 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.165 2.431 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.992 1.272 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.926 2.983 4.832 1.00 0.00 H new ATOM 1090 N ARG A 78 -5.717 1.479 5.145 1.00 0.00 N ATOM 1091 CA ARG A 78 -5.012 0.591 6.053 1.00 0.00 C ATOM 1092 C ARG A 78 -4.438 1.383 7.230 1.00 0.00 C ATOM 1093 O ARG A 78 -4.573 0.974 8.383 1.00 0.00 O ATOM 1094 CB ARG A 78 -3.875 -0.140 5.337 1.00 0.00 C ATOM 1095 CG ARG A 78 -4.376 -1.434 4.691 1.00 0.00 C ATOM 1096 CD ARG A 78 -5.442 -1.141 3.633 1.00 0.00 C ATOM 1097 NE ARG A 78 -6.785 -1.145 4.253 1.00 0.00 N ATOM 1098 CZ ARG A 78 -7.476 -2.265 4.556 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -6.953 -3.483 4.297 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -8.669 -2.151 5.108 1.00 0.00 N ATOM 0 H ARG A 78 -5.445 1.391 4.166 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.728 -0.145 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.444 0.509 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.080 -0.368 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.540 -1.964 4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.789 -2.091 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.249 -0.174 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.396 -1.889 2.841 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.216 -0.245 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.030 -3.561 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.481 -4.324 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.056 -1.227 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.204 -2.987 5.343 1.00 0.00 H new ATOM 1113 N LEU A 79 -3.809 2.501 6.900 1.00 0.00 N ATOM 1114 CA LEU A 79 -3.214 3.353 7.915 1.00 0.00 C ATOM 1115 C LEU A 79 -4.163 3.453 9.111 1.00 0.00 C ATOM 1116 O LEU A 79 -3.733 3.354 10.259 1.00 0.00 O ATOM 1117 CB LEU A 79 -2.830 4.709 7.319 1.00 0.00 C ATOM 1118 CG LEU A 79 -1.649 5.423 7.980 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -1.543 6.870 7.496 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -1.739 5.334 9.505 1.00 0.00 C ATOM 0 H LEU A 79 -3.698 2.837 5.943 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.284 2.917 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.598 4.567 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.699 5.365 7.369 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.732 4.915 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.696 7.355 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.399 6.883 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.459 7.405 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.888 5.849 9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.664 5.802 9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.730 4.287 9.810 1.00 0.00 H new ATOM 1132 N VAL A 80 -5.436 3.649 8.800 1.00 0.00 N ATOM 1133 CA VAL A 80 -6.449 3.763 9.835 1.00 0.00 C ATOM 1134 C VAL A 80 -6.492 2.467 10.647 1.00 0.00 C ATOM 1135 O VAL A 80 -6.491 2.501 11.877 1.00 0.00 O ATOM 1136 CB VAL A 80 -7.799 4.121 9.209 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -8.905 4.142 10.265 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -7.722 5.458 8.468 1.00 0.00 C ATOM 0 H VAL A 80 -5.789 3.732 7.847 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.201 4.570 10.524 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.046 3.348 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.853 4.399 9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.985 3.158 10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.666 4.884 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.694 5.689 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.441 6.246 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.976 5.393 7.676 1.00 0.00 H new ATOM 1148 N ALA A 81 -6.528 1.356 9.926 1.00 0.00 N ATOM 1149 CA ALA A 81 -6.571 0.051 10.564 1.00 0.00 C ATOM 1150 C ALA A 81 -5.283 -0.164 11.362 1.00 0.00 C ATOM 1151 O ALA A 81 -5.217 -1.048 12.215 1.00 0.00 O ATOM 1152 CB ALA A 81 -6.787 -1.029 9.503 1.00 0.00 C ATOM 0 H ALA A 81 -6.528 1.333 8.906 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.405 -0.008 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.819 -2.008 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.729 -0.847 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.967 -1.003 8.785 1.00 0.00 H new ATOM 1158 N CYS A 82 -4.291 0.659 11.056 1.00 0.00 N ATOM 1159 CA CYS A 82 -3.008 0.570 11.734 1.00 0.00 C ATOM 1160 C CYS A 82 -3.187 1.070 13.169 1.00 0.00 C ATOM 1161 O CYS A 82 -3.013 0.311 14.121 1.00 0.00 O ATOM 1162 CB CYS A 82 -1.920 1.346 10.990 1.00 0.00 C ATOM 1163 SG CYS A 82 -0.439 0.294 10.772 1.00 0.00 S ATOM 0 H CYS A 82 -4.349 1.391 10.348 1.00 0.00 H new ATOM 0 HA CYS A 82 -2.674 -0.467 11.751 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.293 1.670 10.018 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.658 2.246 11.547 1.00 0.00 H new ATOM 0 HG CYS A 82 0.496 0.978 10.182 1.00 0.00 H new ATOM 1169 N ALA A 83 -3.533 2.344 13.278 1.00 0.00 N ATOM 1170 CA ALA A 83 -3.738 2.955 14.581 1.00 0.00 C ATOM 1171 C ALA A 83 -4.871 2.228 15.307 1.00 0.00 C ATOM 1172 O ALA A 83 -5.013 2.350 16.523 1.00 0.00 O ATOM 1173 CB ALA A 83 -4.020 4.448 14.406 1.00 0.00 C ATOM 0 H ALA A 83 -3.677 2.970 12.486 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.841 2.863 15.194 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.174 4.906 15.383 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.172 4.923 13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.915 4.580 13.798 1.00 0.00 H new ATOM 1179 N GLN A 84 -5.651 1.489 14.532 1.00 0.00 N ATOM 1180 CA GLN A 84 -6.767 0.743 15.086 1.00 0.00 C ATOM 1181 C GLN A 84 -6.257 -0.436 15.919 1.00 0.00 C ATOM 1182 O GLN A 84 -7.037 -1.111 16.589 1.00 0.00 O ATOM 1183 CB GLN A 84 -7.711 0.265 13.981 1.00 0.00 C ATOM 1184 CG GLN A 84 -8.492 1.437 13.383 1.00 0.00 C ATOM 1185 CD GLN A 84 -9.980 1.335 13.725 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -10.568 2.220 14.326 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -10.555 0.209 13.311 1.00 0.00 N ATOM 0 H GLN A 84 -5.532 1.391 13.524 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.333 1.407 15.739 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.138 -0.232 13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.406 -0.472 14.385 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.091 2.377 13.762 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.364 1.450 12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.005 -0.491 12.813 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.546 0.046 13.491 1.00 0.00 H new ATOM 1196 N ASN A 85 -4.951 -0.647 15.849 1.00 0.00 N ATOM 1197 CA ASN A 85 -4.328 -1.732 16.588 1.00 0.00 C ATOM 1198 C ASN A 85 -3.333 -1.151 17.595 1.00 0.00 C ATOM 1199 O ASN A 85 -2.777 -1.881 18.415 1.00 0.00 O ATOM 1200 CB ASN A 85 -3.560 -2.666 15.651 1.00 0.00 C ATOM 1201 CG ASN A 85 -3.596 -4.107 16.164 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -2.609 -4.651 16.632 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -4.784 -4.693 16.050 1.00 0.00 N ATOM 0 H ASN A 85 -4.307 -0.085 15.292 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.115 -2.293 17.092 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.993 -2.621 14.652 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.526 -2.332 15.566 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.910 -5.655 16.364 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.569 -4.180 15.649 1.00 0.00 H new ATOM 1210 N GLY A 86 -3.140 0.156 17.502 1.00 0.00 N ATOM 1211 CA GLY A 86 -2.222 0.842 18.395 1.00 0.00 C ATOM 1212 C GLY A 86 -0.905 1.165 17.686 1.00 0.00 C ATOM 1213 O GLY A 86 0.035 1.655 18.309 1.00 0.00 O ATOM 0 H GLY A 86 -3.604 0.758 16.822 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.680 1.763 18.756 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.026 0.220 19.268 1.00 0.00 H new ATOM 1217 N LEU A 87 -0.880 0.877 16.393 1.00 0.00 N ATOM 1218 CA LEU A 87 0.306 1.130 15.593 1.00 0.00 C ATOM 1219 C LEU A 87 0.386 2.622 15.265 1.00 0.00 C ATOM 1220 O LEU A 87 -0.640 3.287 15.131 1.00 0.00 O ATOM 1221 CB LEU A 87 0.322 0.227 14.358 1.00 0.00 C ATOM 1222 CG LEU A 87 0.551 -1.263 14.619 1.00 0.00 C ATOM 1223 CD1 LEU A 87 0.325 -2.084 13.348 1.00 0.00 C ATOM 1224 CD2 LEU A 87 1.937 -1.508 15.220 1.00 0.00 C ATOM 0 H LEU A 87 -1.662 0.471 15.880 1.00 0.00 H new ATOM 0 HA LEU A 87 1.205 0.878 16.155 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.628 0.342 13.836 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.101 0.581 13.683 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.182 -1.597 15.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.494 -3.139 13.562 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.699 -1.944 13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.018 -1.755 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.074 -2.575 15.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.701 -1.153 14.529 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.024 -0.971 16.164 1.00 0.00 H new ATOM 1236 N GLU A 88 1.614 3.104 15.145 1.00 0.00 N ATOM 1237 CA GLU A 88 1.841 4.506 14.835 1.00 0.00 C ATOM 1238 C GLU A 88 0.856 4.979 13.765 1.00 0.00 C ATOM 1239 O GLU A 88 0.236 4.164 13.083 1.00 0.00 O ATOM 1240 CB GLU A 88 3.286 4.742 14.393 1.00 0.00 C ATOM 1241 CG GLU A 88 3.782 6.115 14.852 1.00 0.00 C ATOM 1242 CD GLU A 88 5.310 6.146 14.938 1.00 0.00 C ATOM 1243 OE1 GLU A 88 5.941 5.096 15.129 1.00 0.00 O ATOM 1244 OE2 GLU A 88 5.840 7.313 14.797 1.00 0.00 O ATOM 0 H GLU A 88 2.463 2.549 15.257 1.00 0.00 H new ATOM 0 HA GLU A 88 1.672 5.090 15.740 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.928 3.963 14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.354 4.671 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.438 6.881 14.157 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.355 6.353 15.826 1.00 0.00 H new ATOM 1252 N VAL A 89 0.742 6.294 13.651 1.00 0.00 N ATOM 1253 CA VAL A 89 -0.158 6.885 12.674 1.00 0.00 C ATOM 1254 C VAL A 89 0.650 7.360 11.465 1.00 0.00 C ATOM 1255 O VAL A 89 0.080 7.787 10.462 1.00 0.00 O ATOM 1256 CB VAL A 89 -0.973 8.004 13.325 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -2.138 8.427 12.427 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -1.471 7.586 14.710 1.00 0.00 C ATOM 0 H VAL A 89 1.257 6.967 14.218 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.874 6.145 12.316 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.318 8.866 13.452 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.701 9.224 12.913 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.751 8.786 11.474 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.793 7.573 12.254 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.047 8.400 15.150 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.102 6.702 14.618 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.618 7.358 15.350 1.00 0.00 H new ATOM 1268 N SER A 90 1.965 7.269 11.599 1.00 0.00 N ATOM 1269 CA SER A 90 2.857 7.683 10.530 1.00 0.00 C ATOM 1270 C SER A 90 3.235 6.478 9.667 1.00 0.00 C ATOM 1271 O SER A 90 2.954 5.337 10.030 1.00 0.00 O ATOM 1272 CB SER A 90 4.115 8.351 11.089 1.00 0.00 C ATOM 1273 OG SER A 90 3.937 9.752 11.278 1.00 0.00 O ATOM 0 H SER A 90 2.434 6.914 12.432 1.00 0.00 H new ATOM 0 HA SER A 90 2.334 8.414 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.379 7.888 12.040 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.949 8.180 10.408 1.00 0.00 H new ATOM 0 HG SER A 90 4.762 10.141 11.638 1.00 0.00 H new ATOM 1279 N LEU A 91 3.866 6.772 8.539 1.00 0.00 N ATOM 1280 CA LEU A 91 4.286 5.727 7.622 1.00 0.00 C ATOM 1281 C LEU A 91 5.145 4.708 8.374 1.00 0.00 C ATOM 1282 O LEU A 91 5.292 3.569 7.934 1.00 0.00 O ATOM 1283 CB LEU A 91 4.979 6.332 6.400 1.00 0.00 C ATOM 1284 CG LEU A 91 4.131 6.436 5.130 1.00 0.00 C ATOM 1285 CD1 LEU A 91 4.858 7.239 4.050 1.00 0.00 C ATOM 1286 CD2 LEU A 91 3.717 5.049 4.633 1.00 0.00 C ATOM 0 H LEU A 91 4.096 7.720 8.240 1.00 0.00 H new ATOM 0 HA LEU A 91 3.420 5.190 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.328 7.331 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.862 5.734 6.175 1.00 0.00 H new ATOM 0 HG LEU A 91 3.217 6.977 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.234 7.298 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.060 8.245 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.799 6.747 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.115 5.151 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.608 4.461 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.133 4.546 5.403 1.00 0.00 H new ATOM 1298 N SER A 92 5.690 5.155 9.496 1.00 0.00 N ATOM 1299 CA SER A 92 6.531 4.297 10.313 1.00 0.00 C ATOM 1300 C SER A 92 5.742 3.064 10.759 1.00 0.00 C ATOM 1301 O SER A 92 6.327 2.073 11.195 1.00 0.00 O ATOM 1302 CB SER A 92 7.069 5.051 11.530 1.00 0.00 C ATOM 1303 OG SER A 92 8.409 4.679 11.839 1.00 0.00 O ATOM 0 H SER A 92 5.565 6.100 9.858 1.00 0.00 H new ATOM 0 HA SER A 92 7.382 3.979 9.711 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.025 6.123 11.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.430 4.853 12.391 1.00 0.00 H new ATOM 0 HG SER A 92 8.717 5.183 12.621 1.00 0.00 H new ATOM 1309 N SER A 93 4.427 3.165 10.635 1.00 0.00 N ATOM 1310 CA SER A 93 3.553 2.070 11.020 1.00 0.00 C ATOM 1311 C SER A 93 3.032 1.353 9.772 1.00 0.00 C ATOM 1312 O SER A 93 2.522 0.237 9.861 1.00 0.00 O ATOM 1313 CB SER A 93 2.384 2.571 11.870 1.00 0.00 C ATOM 1314 OG SER A 93 1.745 3.702 11.286 1.00 0.00 O ATOM 0 H SER A 93 3.945 3.988 10.273 1.00 0.00 H new ATOM 0 HA SER A 93 4.130 1.367 11.622 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.657 1.769 11.995 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.745 2.832 12.865 1.00 0.00 H new ATOM 0 HG SER A 93 2.360 4.465 11.292 1.00 0.00 H new ATOM 1320 N LEU A 94 3.178 2.023 8.639 1.00 0.00 N ATOM 1321 CA LEU A 94 2.729 1.464 7.375 1.00 0.00 C ATOM 1322 C LEU A 94 3.825 0.563 6.803 1.00 0.00 C ATOM 1323 O LEU A 94 4.906 0.453 7.378 1.00 0.00 O ATOM 1324 CB LEU A 94 2.289 2.578 6.423 1.00 0.00 C ATOM 1325 CG LEU A 94 0.867 3.106 6.619 1.00 0.00 C ATOM 1326 CD1 LEU A 94 0.494 4.100 5.518 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -0.137 1.955 6.716 1.00 0.00 C ATOM 0 H LEU A 94 3.601 2.948 8.570 1.00 0.00 H new ATOM 0 HA LEU A 94 1.849 0.839 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.982 3.412 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.382 2.212 5.400 1.00 0.00 H new ATOM 0 HG LEU A 94 0.831 3.646 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.522 4.460 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.185 4.943 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.553 3.607 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.140 2.358 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.106 1.367 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.119 1.319 7.563 1.00 0.00 H new ATOM 1339 N SER A 95 3.507 -0.060 5.678 1.00 0.00 N ATOM 1340 CA SER A 95 4.451 -0.949 5.022 1.00 0.00 C ATOM 1341 C SER A 95 4.419 -2.327 5.684 1.00 0.00 C ATOM 1342 O SER A 95 5.175 -3.220 5.305 1.00 0.00 O ATOM 1343 CB SER A 95 5.868 -0.373 5.061 1.00 0.00 C ATOM 1344 OG SER A 95 6.591 -0.814 6.207 1.00 0.00 O ATOM 0 H SER A 95 2.609 0.033 5.204 1.00 0.00 H new ATOM 0 HA SER A 95 4.157 -1.049 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.404 -0.667 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.817 0.716 5.061 1.00 0.00 H new ATOM 0 HG SER A 95 6.313 -0.293 6.989 1.00 0.00 H new ATOM 1350 N LEU A 96 3.536 -2.458 6.663 1.00 0.00 N ATOM 1351 CA LEU A 96 3.396 -3.713 7.382 1.00 0.00 C ATOM 1352 C LEU A 96 2.066 -4.367 7.004 1.00 0.00 C ATOM 1353 O LEU A 96 1.408 -3.941 6.055 1.00 0.00 O ATOM 1354 CB LEU A 96 3.565 -3.490 8.887 1.00 0.00 C ATOM 1355 CG LEU A 96 4.191 -2.157 9.301 1.00 0.00 C ATOM 1356 CD1 LEU A 96 3.842 -1.814 10.750 1.00 0.00 C ATOM 1357 CD2 LEU A 96 5.702 -2.163 9.061 1.00 0.00 C ATOM 0 H LEU A 96 2.910 -1.716 6.975 1.00 0.00 H new ATOM 0 HA LEU A 96 4.186 -4.407 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.586 -3.571 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.179 -4.297 9.287 1.00 0.00 H new ATOM 0 HG LEU A 96 3.769 -1.372 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.299 -0.862 11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.760 -1.739 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.218 -2.596 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.122 -1.204 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.160 -2.961 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.902 -2.329 8.002 1.00 0.00 H new ATOM 1369 N ALA A 97 1.708 -5.391 7.765 1.00 0.00 N ATOM 1370 CA ALA A 97 0.468 -6.108 7.521 1.00 0.00 C ATOM 1371 C ALA A 97 -0.616 -5.578 8.462 1.00 0.00 C ATOM 1372 O ALA A 97 -1.178 -6.332 9.253 1.00 0.00 O ATOM 1373 CB ALA A 97 0.705 -7.610 7.691 1.00 0.00 C ATOM 0 H ALA A 97 2.255 -5.741 8.551 1.00 0.00 H new ATOM 0 HA ALA A 97 0.125 -5.946 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.225 -8.148 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.462 -7.942 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.047 -7.812 8.706 1.00 0.00 H new ATOM 1379 N VAL A 98 -0.876 -4.284 8.344 1.00 0.00 N ATOM 1380 CA VAL A 98 -1.883 -3.644 9.174 1.00 0.00 C ATOM 1381 C VAL A 98 -3.090 -4.574 9.312 1.00 0.00 C ATOM 1382 O VAL A 98 -3.404 -5.330 8.393 1.00 0.00 O ATOM 1383 CB VAL A 98 -2.246 -2.276 8.594 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -0.991 -1.438 8.338 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -3.077 -2.423 7.318 1.00 0.00 C ATOM 0 H VAL A 98 -0.407 -3.661 7.686 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.494 -3.465 10.176 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.855 -1.752 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.277 -0.470 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.456 -1.289 9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.345 -1.957 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.321 -1.435 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.505 -2.977 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.997 -2.962 7.543 1.00 0.00 H new ATOM 1395 N PRO A 99 -3.750 -4.486 10.497 1.00 0.00 N ATOM 1396 CA PRO A 99 -4.916 -5.311 10.767 1.00 0.00 C ATOM 1397 C PRO A 99 -6.140 -4.796 10.007 1.00 0.00 C ATOM 1398 O PRO A 99 -6.079 -3.753 9.358 1.00 0.00 O ATOM 1399 CB PRO A 99 -5.091 -5.263 12.276 1.00 0.00 C ATOM 1400 CG PRO A 99 -4.307 -4.049 12.748 1.00 0.00 C ATOM 1401 CD PRO A 99 -3.407 -3.603 11.607 1.00 0.00 C ATOM 0 HA PRO A 99 -4.792 -6.339 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -6.144 -5.177 12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.717 -6.175 12.742 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.985 -3.245 13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.713 -4.296 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -3.582 -2.558 11.350 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -2.354 -3.694 11.874 1.00 0.00 H new ATOM 1409 N PRO A 100 -7.252 -5.571 10.115 1.00 0.00 N ATOM 1410 CA PRO A 100 -8.488 -5.204 9.446 1.00 0.00 C ATOM 1411 C PRO A 100 -9.182 -4.048 10.170 1.00 0.00 C ATOM 1412 O PRO A 100 -9.377 -4.099 11.384 1.00 0.00 O ATOM 1413 CB PRO A 100 -9.319 -6.477 9.428 1.00 0.00 C ATOM 1414 CG PRO A 100 -8.717 -7.382 10.491 1.00 0.00 C ATOM 1415 CD PRO A 100 -7.361 -6.813 10.875 1.00 0.00 C ATOM 0 HA PRO A 100 -8.324 -4.836 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.366 -6.263 9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.286 -6.951 8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.370 -7.434 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.611 -8.398 10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.298 -6.628 11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.556 -7.503 10.623 1.00 0.00 H new ATOM 1423 N PRO A 101 -9.544 -3.007 9.375 1.00 0.00 N ATOM 1424 CA PRO A 101 -10.211 -1.840 9.927 1.00 0.00 C ATOM 1425 C PRO A 101 -11.675 -2.147 10.250 1.00 0.00 C ATOM 1426 O PRO A 101 -12.054 -3.310 10.382 1.00 0.00 O ATOM 1427 CB PRO A 101 -10.050 -0.758 8.871 1.00 0.00 C ATOM 1428 CG PRO A 101 -9.709 -1.484 7.580 1.00 0.00 C ATOM 1429 CD PRO A 101 -9.328 -2.912 7.934 1.00 0.00 C ATOM 0 HA PRO A 101 -9.781 -1.519 10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.967 -0.178 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.261 -0.058 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.561 -1.474 6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.886 -0.985 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.943 -3.631 7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.290 -3.121 7.675 1.00 0.00 H new ATOM 1437 N ARG A 102 -12.457 -1.085 10.367 1.00 0.00 N ATOM 1438 CA ARG A 102 -13.871 -1.226 10.672 1.00 0.00 C ATOM 1439 C ARG A 102 -14.702 -1.139 9.390 1.00 0.00 C ATOM 1440 O ARG A 102 -15.773 -1.737 9.299 1.00 0.00 O ATOM 1441 CB ARG A 102 -14.335 -0.142 11.647 1.00 0.00 C ATOM 1442 CG ARG A 102 -15.312 -0.713 12.677 1.00 0.00 C ATOM 1443 CD ARG A 102 -14.661 -0.803 14.059 1.00 0.00 C ATOM 1444 NE ARG A 102 -15.434 -0.003 15.035 1.00 0.00 N ATOM 1445 CZ ARG A 102 -15.313 -0.121 16.375 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -14.448 -1.010 16.909 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -16.054 0.645 17.154 1.00 0.00 N ATOM 0 H ARG A 102 -12.139 -0.122 10.256 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.014 -2.202 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.472 0.287 12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.814 0.667 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -16.200 -0.083 12.730 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.642 -1.703 12.361 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.617 -1.843 14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.634 -0.440 14.011 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.100 0.680 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.880 -1.598 16.299 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.362 -1.093 17.922 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.705 1.313 16.742 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.975 0.569 18.168 1.00 0.00 H new ATOM 1460 N PHE A 103 -14.176 -0.391 8.432 1.00 0.00 N ATOM 1461 CA PHE A 103 -14.856 -0.218 7.159 1.00 0.00 C ATOM 1462 C PHE A 103 -15.504 -1.526 6.703 1.00 0.00 C ATOM 1463 O PHE A 103 -15.156 -2.600 7.191 1.00 0.00 O ATOM 1464 CB PHE A 103 -13.794 0.195 6.138 1.00 0.00 C ATOM 1465 CG PHE A 103 -12.883 1.329 6.611 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -13.424 2.470 7.115 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -11.532 1.196 6.528 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -12.578 3.523 7.555 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -10.686 2.248 6.967 1.00 0.00 C ATOM 1470 CZ PHE A 103 -11.227 3.390 7.471 1.00 0.00 C ATOM 0 H PHE A 103 -13.287 0.102 8.511 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.642 0.532 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.181 -0.673 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -14.290 0.502 5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -14.497 2.576 7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.103 0.289 6.128 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -13.008 4.429 7.956 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.613 2.142 6.901 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.584 4.191 7.804 1.00 0.00 H new ATOM 1480 N HIS A 104 -16.437 -1.393 5.771 1.00 0.00 N ATOM 1481 CA HIS A 104 -17.138 -2.551 5.242 1.00 0.00 C ATOM 1482 C HIS A 104 -16.156 -3.440 4.477 1.00 0.00 C ATOM 1483 O HIS A 104 -14.973 -3.119 4.374 1.00 0.00 O ATOM 1484 CB HIS A 104 -18.335 -2.121 4.392 1.00 0.00 C ATOM 1485 CG HIS A 104 -19.661 -2.215 5.107 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -20.776 -2.812 4.543 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -20.040 -1.785 6.345 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -21.774 -2.736 5.411 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -21.316 -2.099 6.526 1.00 0.00 N ATOM 0 H HIS A 104 -16.724 -0.501 5.369 1.00 0.00 H new ATOM 0 HA HIS A 104 -17.544 -3.141 6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -18.183 -1.093 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -18.372 -2.740 3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.408 -1.275 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -22.775 -3.113 5.262 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.864 -1.897 7.362 1.00 0.00 H new ATOM 1497 N ASP A 105 -16.683 -4.540 3.959 1.00 0.00 N ATOM 1498 CA ASP A 105 -15.867 -5.478 3.206 1.00 0.00 C ATOM 1499 C ASP A 105 -14.896 -4.701 2.316 1.00 0.00 C ATOM 1500 O ASP A 105 -13.707 -4.612 2.618 1.00 0.00 O ATOM 1501 CB ASP A 105 -16.733 -6.360 2.305 1.00 0.00 C ATOM 1502 CG ASP A 105 -16.560 -7.866 2.515 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -15.601 -8.474 2.017 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -17.474 -8.425 3.233 1.00 0.00 O ATOM 0 H ASP A 105 -17.665 -4.803 4.046 1.00 0.00 H new ATOM 0 HA ASP A 105 -15.331 -6.106 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -17.780 -6.103 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -16.506 -6.125 1.265 1.00 0.00 H new