USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 18:sc= 0.789 USER MOD Set 1.2: A 59 TYR OH : rot -151:sc= 0.541 USER MOD Set 2.1: A 9 CYS SG : rot 110:sc= -1.4 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -2.39! C(o=-3.8!,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -94:sc= 0.995 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -135:sc=-0.00101 (180deg=-0.135) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.309 (180deg=0.291) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.634) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.4 K(o=-3.4,f=-8.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 161:sc= -0.0311 (180deg=-0.539) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0.0837 (180deg=0.072) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -1.98! X(o=-2!,f=-1.8) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 100 MET CE :methyl -130:sc=-0.00708 (180deg=-0.195) USER MOD Single : A 102 THR OG1 : rot 34:sc= 0.205 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.070 8.512 4.394 1.00 0.00 N ATOM 2 CA GLY A 1 -17.055 8.984 5.350 1.00 0.00 C ATOM 3 C GLY A 1 -16.439 9.339 6.689 1.00 0.00 C ATOM 4 O GLY A 1 -16.717 10.401 7.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.541 8.283 3.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.359 9.254 4.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.604 7.661 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.562 9.859 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.814 8.215 5.495 1.00 0.00 H new ATOM 8 N SER A 2 -15.600 8.448 7.208 1.00 0.00 N ATOM 9 CA SER A 2 -14.947 8.670 8.493 1.00 0.00 C ATOM 10 C SER A 2 -13.654 9.461 8.315 1.00 0.00 C ATOM 11 O SER A 2 -12.598 8.891 8.043 1.00 0.00 O ATOM 12 CB SER A 2 -14.651 7.334 9.176 1.00 0.00 C ATOM 13 OG SER A 2 -14.615 7.480 10.586 1.00 0.00 O ATOM 0 H SER A 2 -15.356 7.565 6.758 1.00 0.00 H new ATOM 0 HA SER A 2 -15.623 9.249 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.413 6.605 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.696 6.945 8.823 1.00 0.00 H new ATOM 0 HG SER A 2 -13.691 7.630 10.876 1.00 0.00 H new ATOM 19 N SER A 3 -13.747 10.778 8.471 1.00 0.00 N ATOM 20 CA SER A 3 -12.587 11.648 8.325 1.00 0.00 C ATOM 21 C SER A 3 -11.471 11.232 9.279 1.00 0.00 C ATOM 22 O SER A 3 -11.703 10.502 10.242 1.00 0.00 O ATOM 23 CB SER A 3 -12.979 13.104 8.586 1.00 0.00 C ATOM 24 OG SER A 3 -13.421 13.282 9.920 1.00 0.00 O ATOM 0 H SER A 3 -14.614 11.265 8.698 1.00 0.00 H new ATOM 0 HA SER A 3 -12.221 11.555 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.126 13.754 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.768 13.401 7.895 1.00 0.00 H new ATOM 0 HG SER A 3 -13.664 14.221 10.062 1.00 0.00 H new ATOM 30 N GLY A 4 -10.259 11.702 9.003 1.00 0.00 N ATOM 31 CA GLY A 4 -9.124 11.369 9.844 1.00 0.00 C ATOM 32 C GLY A 4 -7.950 12.303 9.632 1.00 0.00 C ATOM 33 O GLY A 4 -7.753 12.824 8.534 1.00 0.00 O ATOM 0 H GLY A 4 -10.042 12.308 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.428 11.405 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.811 10.345 9.638 1.00 0.00 H new ATOM 37 N SER A 5 -7.168 12.518 10.685 1.00 0.00 N ATOM 38 CA SER A 5 -6.010 13.401 10.610 1.00 0.00 C ATOM 39 C SER A 5 -5.077 12.978 9.480 1.00 0.00 C ATOM 40 O SER A 5 -5.122 11.839 9.016 1.00 0.00 O ATOM 41 CB SER A 5 -5.254 13.399 11.940 1.00 0.00 C ATOM 42 OG SER A 5 -5.913 14.201 12.904 1.00 0.00 O ATOM 0 H SER A 5 -7.315 12.093 11.600 1.00 0.00 H new ATOM 0 HA SER A 5 -6.366 14.411 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.167 12.378 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.241 13.770 11.786 1.00 0.00 H new ATOM 0 HG SER A 5 -5.410 14.181 13.745 1.00 0.00 H new ATOM 48 N SER A 6 -4.231 13.905 9.041 1.00 0.00 N ATOM 49 CA SER A 6 -3.289 13.631 7.963 1.00 0.00 C ATOM 50 C SER A 6 -1.959 13.130 8.518 1.00 0.00 C ATOM 51 O SER A 6 -1.385 13.732 9.424 1.00 0.00 O ATOM 52 CB SER A 6 -3.062 14.890 7.123 1.00 0.00 C ATOM 53 OG SER A 6 -2.628 15.970 7.931 1.00 0.00 O ATOM 0 H SER A 6 -4.179 14.852 9.416 1.00 0.00 H new ATOM 0 HA SER A 6 -3.715 12.853 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.319 14.687 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.986 15.162 6.612 1.00 0.00 H new ATOM 0 HG SER A 6 -2.488 16.762 7.371 1.00 0.00 H new ATOM 59 N GLY A 7 -1.474 12.022 7.966 1.00 0.00 N ATOM 60 CA GLY A 7 -0.216 11.457 8.417 1.00 0.00 C ATOM 61 C GLY A 7 0.256 10.315 7.539 1.00 0.00 C ATOM 62 O GLY A 7 0.351 10.459 6.321 1.00 0.00 O ATOM 0 H GLY A 7 -1.930 11.505 7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.545 12.238 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.328 11.101 9.441 1.00 0.00 H new ATOM 66 N ASN A 8 0.553 9.177 8.159 1.00 0.00 N ATOM 67 CA ASN A 8 1.019 8.006 7.425 1.00 0.00 C ATOM 68 C ASN A 8 -0.130 7.342 6.673 1.00 0.00 C ATOM 69 O ASN A 8 -1.179 7.054 7.251 1.00 0.00 O ATOM 70 CB ASN A 8 1.665 7.003 8.383 1.00 0.00 C ATOM 71 CG ASN A 8 3.020 7.468 8.881 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.110 8.358 9.726 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.081 6.866 8.357 1.00 0.00 N ATOM 0 H ASN A 8 0.479 9.041 9.167 1.00 0.00 H new ATOM 0 HA ASN A 8 1.762 8.335 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.004 6.841 9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.776 6.043 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.019 7.137 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.958 6.133 7.659 1.00 0.00 H new ATOM 80 N CYS A 9 0.075 7.101 5.383 1.00 0.00 N ATOM 81 CA CYS A 9 -0.944 6.471 4.552 1.00 0.00 C ATOM 82 C CYS A 9 -0.345 5.339 3.723 1.00 0.00 C ATOM 83 O CYS A 9 0.600 5.546 2.962 1.00 0.00 O ATOM 84 CB CYS A 9 -1.592 7.505 3.631 1.00 0.00 C ATOM 85 SG CYS A 9 -2.981 8.390 4.377 1.00 0.00 S ATOM 0 H CYS A 9 0.937 7.332 4.890 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.706 6.053 5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.836 8.228 3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.938 7.004 2.727 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.640 9.625 4.598 1.00 0.00 H new ATOM 91 N ARG A 10 -0.901 4.141 3.877 1.00 0.00 N ATOM 92 CA ARG A 10 -0.420 2.976 3.145 1.00 0.00 C ATOM 93 C ARG A 10 -1.585 2.179 2.566 1.00 0.00 C ATOM 94 O ARG A 10 -2.664 2.117 3.157 1.00 0.00 O ATOM 95 CB ARG A 10 0.418 2.082 4.061 1.00 0.00 C ATOM 96 CG ARG A 10 1.852 2.557 4.230 1.00 0.00 C ATOM 97 CD ARG A 10 2.576 1.769 5.310 1.00 0.00 C ATOM 98 NE ARG A 10 3.600 2.569 5.977 1.00 0.00 N ATOM 99 CZ ARG A 10 4.217 2.191 7.091 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.917 1.032 7.660 1.00 0.00 N ATOM 101 NH2 ARG A 10 5.138 2.974 7.639 1.00 0.00 N ATOM 0 H ARG A 10 -1.685 3.952 4.502 1.00 0.00 H new ATOM 0 HA ARG A 10 0.203 3.327 2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.057 2.033 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.425 1.069 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.384 2.454 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.858 3.617 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.854 1.416 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.037 0.886 4.867 1.00 0.00 H new ATOM 0 HE ARG A 10 3.855 3.467 5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.210 0.427 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.393 0.745 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.372 3.867 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.611 2.683 8.494 1.00 0.00 H new ATOM 115 N LEU A 11 -1.361 1.571 1.407 1.00 0.00 N ATOM 116 CA LEU A 11 -2.392 0.777 0.746 1.00 0.00 C ATOM 117 C LEU A 11 -2.120 -0.715 0.911 1.00 0.00 C ATOM 118 O LEU A 11 -0.972 -1.157 0.852 1.00 0.00 O ATOM 119 CB LEU A 11 -2.464 1.134 -0.739 1.00 0.00 C ATOM 120 CG LEU A 11 -2.902 2.562 -1.067 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.898 2.790 -2.570 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.280 2.843 -0.486 1.00 0.00 C ATOM 0 H LEU A 11 -0.474 1.612 0.905 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.349 1.006 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.481 0.967 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.153 0.443 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.191 3.253 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.212 3.812 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.893 2.631 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.586 2.091 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.576 3.864 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.002 2.145 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.250 2.722 0.597 1.00 0.00 H new ATOM 134 N PHE A 12 -3.183 -1.486 1.114 1.00 0.00 N ATOM 135 CA PHE A 12 -3.059 -2.929 1.285 1.00 0.00 C ATOM 136 C PHE A 12 -3.027 -3.636 -0.066 1.00 0.00 C ATOM 137 O PHE A 12 -4.062 -3.818 -0.708 1.00 0.00 O ATOM 138 CB PHE A 12 -4.218 -3.465 2.127 1.00 0.00 C ATOM 139 CG PHE A 12 -4.185 -4.955 2.313 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.796 -5.795 1.397 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.541 -5.516 3.405 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.768 -7.166 1.566 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.509 -6.887 3.579 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.122 -7.713 2.658 1.00 0.00 C ATOM 0 H PHE A 12 -4.140 -1.136 1.164 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.120 -3.129 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.199 -2.984 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.160 -3.187 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.300 -5.373 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.059 -4.875 4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.251 -7.809 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.005 -7.312 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.097 -8.784 2.791 1.00 0.00 H new ATOM 154 N ILE A 13 -1.832 -4.032 -0.492 1.00 0.00 N ATOM 155 CA ILE A 13 -1.665 -4.719 -1.766 1.00 0.00 C ATOM 156 C ILE A 13 -1.538 -6.226 -1.566 1.00 0.00 C ATOM 157 O ILE A 13 -0.534 -6.711 -1.046 1.00 0.00 O ATOM 158 CB ILE A 13 -0.426 -4.207 -2.524 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.355 -2.680 -2.457 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.458 -4.678 -3.971 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.561 -1.992 -3.057 1.00 0.00 C ATOM 0 H ILE A 13 -0.966 -3.889 0.027 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.556 -4.507 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 13 0.466 -4.615 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.253 -2.374 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.542 -2.343 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.424 -4.308 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.466 -5.768 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.355 -4.296 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.442 -0.912 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.652 -2.268 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.459 -2.300 -2.522 1.00 0.00 H new ATOM 173 N GLY A 14 -2.563 -6.962 -1.985 1.00 0.00 N ATOM 174 CA GLY A 14 -2.546 -8.406 -1.844 1.00 0.00 C ATOM 175 C GLY A 14 -2.712 -9.120 -3.171 1.00 0.00 C ATOM 176 O GLY A 14 -3.284 -8.571 -4.111 1.00 0.00 O ATOM 0 H GLY A 14 -3.405 -6.584 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.606 -8.712 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.345 -8.711 -1.168 1.00 0.00 H new ATOM 180 N GLY A 15 -2.209 -10.348 -3.247 1.00 0.00 N ATOM 181 CA GLY A 15 -2.313 -11.117 -4.474 1.00 0.00 C ATOM 182 C GLY A 15 -1.079 -10.991 -5.344 1.00 0.00 C ATOM 183 O GLY A 15 -1.152 -11.148 -6.563 1.00 0.00 O ATOM 0 H GLY A 15 -1.732 -10.824 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.475 -12.167 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.185 -10.783 -5.036 1.00 0.00 H new ATOM 187 N ILE A 16 0.058 -10.705 -4.718 1.00 0.00 N ATOM 188 CA ILE A 16 1.313 -10.557 -5.444 1.00 0.00 C ATOM 189 C ILE A 16 2.144 -11.833 -5.370 1.00 0.00 C ATOM 190 O ILE A 16 2.045 -12.614 -4.424 1.00 0.00 O ATOM 191 CB ILE A 16 2.145 -9.383 -4.896 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.381 -9.554 -3.394 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.448 -8.061 -5.181 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.400 -8.589 -2.829 1.00 0.00 C ATOM 0 H ILE A 16 0.136 -10.571 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 16 1.055 -10.354 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 16 3.112 -9.377 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.436 -9.420 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.712 -10.574 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.048 -7.241 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.327 -7.938 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.469 -8.056 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.517 -8.768 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.358 -8.737 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.061 -7.566 -2.991 1.00 0.00 H new ATOM 206 N PRO A 17 2.986 -12.050 -6.391 1.00 0.00 N ATOM 207 CA PRO A 17 3.854 -13.230 -6.465 1.00 0.00 C ATOM 208 C PRO A 17 4.969 -13.195 -5.425 1.00 0.00 C ATOM 209 O PRO A 17 5.450 -12.125 -5.051 1.00 0.00 O ATOM 210 CB PRO A 17 4.438 -13.153 -7.878 1.00 0.00 C ATOM 211 CG PRO A 17 4.381 -11.708 -8.233 1.00 0.00 C ATOM 212 CD PRO A 17 3.156 -11.162 -7.553 1.00 0.00 C ATOM 0 HA PRO A 17 3.307 -14.151 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.461 -13.527 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.860 -13.756 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.278 -11.188 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.320 -11.574 -9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.294 -10.124 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.286 -11.189 -8.210 1.00 0.00 H new ATOM 220 N LYS A 18 5.377 -14.371 -4.962 1.00 0.00 N ATOM 221 CA LYS A 18 6.437 -14.476 -3.966 1.00 0.00 C ATOM 222 C LYS A 18 7.792 -14.133 -4.576 1.00 0.00 C ATOM 223 O LYS A 18 8.484 -13.230 -4.106 1.00 0.00 O ATOM 224 CB LYS A 18 6.473 -15.888 -3.377 1.00 0.00 C ATOM 225 CG LYS A 18 5.124 -16.374 -2.878 1.00 0.00 C ATOM 226 CD LYS A 18 5.049 -17.892 -2.860 1.00 0.00 C ATOM 227 CE LYS A 18 3.648 -18.377 -2.522 1.00 0.00 C ATOM 228 NZ LYS A 18 3.546 -19.862 -2.582 1.00 0.00 N ATOM 0 H LYS A 18 4.989 -15.266 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 18 6.226 -13.762 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.841 -16.579 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.185 -15.910 -2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.946 -15.988 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.335 -15.977 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.346 -18.283 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.757 -18.284 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.376 -18.034 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.933 -17.935 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.576 -20.153 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.781 -20.188 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.210 -20.283 -1.901 1.00 0.00 H new ATOM 242 N MET A 19 8.164 -14.858 -5.626 1.00 0.00 N ATOM 243 CA MET A 19 9.436 -14.628 -6.301 1.00 0.00 C ATOM 244 C MET A 19 9.758 -13.138 -6.360 1.00 0.00 C ATOM 245 O MET A 19 10.922 -12.741 -6.299 1.00 0.00 O ATOM 246 CB MET A 19 9.399 -15.209 -7.716 1.00 0.00 C ATOM 247 CG MET A 19 8.351 -14.567 -8.610 1.00 0.00 C ATOM 248 SD MET A 19 7.725 -15.697 -9.868 1.00 0.00 S ATOM 249 CE MET A 19 6.669 -16.753 -8.880 1.00 0.00 C ATOM 0 H MET A 19 7.603 -15.609 -6.028 1.00 0.00 H new ATOM 0 HA MET A 19 10.218 -15.129 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.380 -15.088 -8.175 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.206 -16.280 -7.655 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.521 -14.217 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.781 -13.691 -9.096 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.841 -17.795 -9.151 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.897 -16.610 -7.824 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.625 -16.498 -9.063 1.00 0.00 H new ATOM 259 N LYS A 20 8.720 -12.317 -6.478 1.00 0.00 N ATOM 260 CA LYS A 20 8.892 -10.870 -6.544 1.00 0.00 C ATOM 261 C LYS A 20 9.332 -10.313 -5.194 1.00 0.00 C ATOM 262 O LYS A 20 9.039 -10.890 -4.146 1.00 0.00 O ATOM 263 CB LYS A 20 7.588 -10.201 -6.983 1.00 0.00 C ATOM 264 CG LYS A 20 7.439 -10.092 -8.491 1.00 0.00 C ATOM 265 CD LYS A 20 7.685 -11.427 -9.174 1.00 0.00 C ATOM 266 CE LYS A 20 7.053 -11.471 -10.556 1.00 0.00 C ATOM 267 NZ LYS A 20 7.684 -12.505 -11.422 1.00 0.00 N ATOM 0 H LYS A 20 7.750 -12.629 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 20 9.669 -10.654 -7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.746 -10.767 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.537 -9.203 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.437 -9.737 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.141 -9.351 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.758 -11.602 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.278 -12.231 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.987 -11.678 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.147 -10.494 -11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.171 -12.562 -12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.675 -12.248 -11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.647 -13.428 -10.944 1.00 0.00 H new ATOM 281 N LYS A 21 10.036 -9.186 -5.225 1.00 0.00 N ATOM 282 CA LYS A 21 10.515 -8.548 -4.004 1.00 0.00 C ATOM 283 C LYS A 21 10.051 -7.097 -3.931 1.00 0.00 C ATOM 284 O LYS A 21 9.721 -6.489 -4.949 1.00 0.00 O ATOM 285 CB LYS A 21 12.042 -8.611 -3.937 1.00 0.00 C ATOM 286 CG LYS A 21 12.573 -9.906 -3.346 1.00 0.00 C ATOM 287 CD LYS A 21 13.931 -10.267 -3.924 1.00 0.00 C ATOM 288 CE LYS A 21 13.809 -10.798 -5.344 1.00 0.00 C ATOM 289 NZ LYS A 21 15.097 -10.700 -6.086 1.00 0.00 N ATOM 0 H LYS A 21 10.288 -8.695 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 21 10.098 -9.087 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.447 -8.487 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.406 -7.774 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.652 -9.807 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.867 -10.713 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.576 -9.388 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.408 -11.017 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.484 -11.838 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.040 -10.238 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.972 -11.072 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.394 -9.705 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.825 -11.255 -5.592 1.00 0.00 H new ATOM 303 N ARG A 22 10.028 -6.548 -2.721 1.00 0.00 N ATOM 304 CA ARG A 22 9.605 -5.168 -2.516 1.00 0.00 C ATOM 305 C ARG A 22 10.216 -4.250 -3.570 1.00 0.00 C ATOM 306 O ARG A 22 9.523 -3.424 -4.163 1.00 0.00 O ATOM 307 CB ARG A 22 10.003 -4.693 -1.117 1.00 0.00 C ATOM 308 CG ARG A 22 11.497 -4.770 -0.850 1.00 0.00 C ATOM 309 CD ARG A 22 11.789 -4.978 0.628 1.00 0.00 C ATOM 310 NE ARG A 22 13.197 -5.281 0.871 1.00 0.00 N ATOM 311 CZ ARG A 22 14.155 -4.361 0.878 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.859 -3.088 0.657 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.414 -4.714 1.107 1.00 0.00 N ATOM 0 H ARG A 22 10.297 -7.038 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 22 8.520 -5.129 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.671 -3.663 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.478 -5.295 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.929 -5.588 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.976 -3.852 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.510 -4.082 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.172 -5.792 1.008 1.00 0.00 H new ATOM 0 HE ARG A 22 13.459 -6.251 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.893 -2.812 0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.597 -2.384 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.646 -5.692 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.149 -4.007 1.112 1.00 0.00 H new ATOM 327 N GLU A 23 11.517 -4.400 -3.796 1.00 0.00 N ATOM 328 CA GLU A 23 12.221 -3.583 -4.777 1.00 0.00 C ATOM 329 C GLU A 23 11.431 -3.497 -6.080 1.00 0.00 C ATOM 330 O GLU A 23 11.166 -2.407 -6.586 1.00 0.00 O ATOM 331 CB GLU A 23 13.613 -4.157 -5.048 1.00 0.00 C ATOM 332 CG GLU A 23 14.349 -4.588 -3.791 1.00 0.00 C ATOM 333 CD GLU A 23 15.856 -4.513 -3.943 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.348 -3.503 -4.488 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.543 -5.464 -3.515 1.00 0.00 O ATOM 0 H GLU A 23 12.105 -5.080 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 23 12.325 -2.578 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.520 -5.013 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.210 -3.409 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.040 -3.956 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.063 -5.609 -3.539 1.00 0.00 H new ATOM 342 N GLU A 24 11.060 -4.654 -6.617 1.00 0.00 N ATOM 343 CA GLU A 24 10.302 -4.710 -7.862 1.00 0.00 C ATOM 344 C GLU A 24 8.897 -4.146 -7.669 1.00 0.00 C ATOM 345 O GLU A 24 8.408 -3.374 -8.494 1.00 0.00 O ATOM 346 CB GLU A 24 10.220 -6.150 -8.371 1.00 0.00 C ATOM 347 CG GLU A 24 11.576 -6.771 -8.663 1.00 0.00 C ATOM 348 CD GLU A 24 12.165 -6.294 -9.976 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.996 -5.102 -10.305 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.796 -7.115 -10.675 1.00 0.00 O ATOM 0 H GLU A 24 11.271 -5.565 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 24 10.821 -4.100 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.703 -6.759 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.617 -6.172 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.264 -6.531 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.477 -7.856 -8.686 1.00 0.00 H new ATOM 357 N ILE A 25 8.253 -4.539 -6.575 1.00 0.00 N ATOM 358 CA ILE A 25 6.906 -4.073 -6.273 1.00 0.00 C ATOM 359 C ILE A 25 6.806 -2.557 -6.401 1.00 0.00 C ATOM 360 O ILE A 25 5.941 -2.037 -7.106 1.00 0.00 O ATOM 361 CB ILE A 25 6.471 -4.487 -4.855 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.478 -6.011 -4.720 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.092 -3.928 -4.539 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.603 -6.491 -3.291 1.00 0.00 C ATOM 0 H ILE A 25 8.643 -5.179 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 25 6.241 -4.541 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 25 7.181 -4.074 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.559 -6.410 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.305 -6.416 -5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.799 -4.229 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.118 -2.840 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.370 -4.314 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.601 -7.581 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.535 -6.122 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.763 -6.116 -2.707 1.00 0.00 H new ATOM 376 N LEU A 26 7.699 -1.851 -5.715 1.00 0.00 N ATOM 377 CA LEU A 26 7.715 -0.393 -5.753 1.00 0.00 C ATOM 378 C LEU A 26 7.634 0.115 -7.189 1.00 0.00 C ATOM 379 O LEU A 26 6.674 0.787 -7.566 1.00 0.00 O ATOM 380 CB LEU A 26 8.981 0.141 -5.082 1.00 0.00 C ATOM 381 CG LEU A 26 9.290 1.621 -5.311 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.643 2.475 -4.232 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.793 1.853 -5.348 1.00 0.00 C ATOM 0 H LEU A 26 8.421 -2.265 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 26 6.843 -0.031 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.899 -0.030 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.830 -0.445 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 26 8.874 1.914 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.874 3.525 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.563 2.332 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.028 2.181 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.994 2.912 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.232 1.543 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.231 1.271 -6.159 1.00 0.00 H new ATOM 395 N GLU A 27 8.646 -0.212 -7.985 1.00 0.00 N ATOM 396 CA GLU A 27 8.688 0.210 -9.380 1.00 0.00 C ATOM 397 C GLU A 27 7.364 -0.086 -10.078 1.00 0.00 C ATOM 398 O GLU A 27 6.844 0.744 -10.823 1.00 0.00 O ATOM 399 CB GLU A 27 9.833 -0.490 -10.115 1.00 0.00 C ATOM 400 CG GLU A 27 10.408 0.323 -11.262 1.00 0.00 C ATOM 401 CD GLU A 27 11.169 1.546 -10.787 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.854 1.452 -9.747 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.078 2.597 -11.455 1.00 0.00 O ATOM 0 H GLU A 27 9.448 -0.768 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 27 8.858 1.286 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.628 -0.711 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.476 -1.445 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.073 -0.308 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.599 0.637 -11.921 1.00 0.00 H new ATOM 410 N GLU A 28 6.825 -1.276 -9.832 1.00 0.00 N ATOM 411 CA GLU A 28 5.563 -1.683 -10.438 1.00 0.00 C ATOM 412 C GLU A 28 4.408 -0.838 -9.908 1.00 0.00 C ATOM 413 O GLU A 28 3.352 -0.749 -10.536 1.00 0.00 O ATOM 414 CB GLU A 28 5.294 -3.164 -10.163 1.00 0.00 C ATOM 415 CG GLU A 28 5.890 -4.095 -11.205 1.00 0.00 C ATOM 416 CD GLU A 28 5.438 -3.760 -12.613 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.231 -3.502 -12.804 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.291 -3.757 -13.525 1.00 0.00 O ATOM 0 H GLU A 28 7.243 -1.975 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 28 5.640 -1.529 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.698 -3.422 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.217 -3.326 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.978 -4.042 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.609 -5.122 -10.972 1.00 0.00 H new ATOM 425 N ILE A 29 4.616 -0.222 -8.750 1.00 0.00 N ATOM 426 CA ILE A 29 3.593 0.616 -8.136 1.00 0.00 C ATOM 427 C ILE A 29 3.709 2.061 -8.611 1.00 0.00 C ATOM 428 O ILE A 29 2.705 2.714 -8.892 1.00 0.00 O ATOM 429 CB ILE A 29 3.686 0.583 -6.599 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.219 -0.773 -6.067 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.860 1.708 -5.995 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.935 -1.262 -6.701 1.00 0.00 C ATOM 0 H ILE A 29 5.484 -0.287 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 29 2.628 0.212 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 29 4.727 0.726 -6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.003 -1.511 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.078 -0.702 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.935 1.672 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.234 2.667 -6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.817 1.593 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.664 -2.228 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.138 -0.544 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.077 -1.366 -7.777 1.00 0.00 H new ATOM 444 N ALA A 30 4.940 2.552 -8.698 1.00 0.00 N ATOM 445 CA ALA A 30 5.187 3.919 -9.142 1.00 0.00 C ATOM 446 C ALA A 30 4.580 4.167 -10.519 1.00 0.00 C ATOM 447 O ALA A 30 4.503 5.306 -10.979 1.00 0.00 O ATOM 448 CB ALA A 30 6.682 4.204 -9.163 1.00 0.00 C ATOM 0 H ALA A 30 5.782 2.024 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 30 4.708 4.597 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.853 5.228 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.091 4.076 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.175 3.513 -9.847 1.00 0.00 H new ATOM 454 N LYS A 31 4.150 3.093 -11.173 1.00 0.00 N ATOM 455 CA LYS A 31 3.548 3.194 -12.497 1.00 0.00 C ATOM 456 C LYS A 31 2.032 3.044 -12.419 1.00 0.00 C ATOM 457 O LYS A 31 1.289 3.847 -12.983 1.00 0.00 O ATOM 458 CB LYS A 31 4.130 2.126 -13.426 1.00 0.00 C ATOM 459 CG LYS A 31 4.294 0.768 -12.765 1.00 0.00 C ATOM 460 CD LYS A 31 4.915 -0.243 -13.714 1.00 0.00 C ATOM 461 CE LYS A 31 6.419 -0.050 -13.828 1.00 0.00 C ATOM 462 NZ LYS A 31 6.933 -0.469 -15.162 1.00 0.00 N ATOM 0 H LYS A 31 4.207 2.143 -10.807 1.00 0.00 H new ATOM 0 HA LYS A 31 3.777 4.181 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.482 2.021 -14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.101 2.463 -13.790 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.919 0.867 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.322 0.405 -12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.702 -1.252 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.459 -0.146 -14.699 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.665 0.998 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.919 -0.626 -13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.962 -0.322 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.721 -1.476 -15.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.475 0.098 -15.904 1.00 0.00 H new ATOM 476 N VAL A 32 1.580 2.011 -11.715 1.00 0.00 N ATOM 477 CA VAL A 32 0.152 1.757 -11.561 1.00 0.00 C ATOM 478 C VAL A 32 -0.496 2.797 -10.654 1.00 0.00 C ATOM 479 O VAL A 32 -1.701 3.039 -10.729 1.00 0.00 O ATOM 480 CB VAL A 32 -0.109 0.354 -10.983 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.636 -0.702 -11.786 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.289 0.299 -9.516 1.00 0.00 C ATOM 0 H VAL A 32 2.182 1.337 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.290 1.820 -12.555 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.176 0.144 -11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.439 -1.687 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.297 -0.678 -12.822 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.706 -0.499 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.098 -0.700 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.350 0.530 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.295 1.027 -8.953 1.00 0.00 H new ATOM 492 N THR A 33 0.312 3.411 -9.795 1.00 0.00 N ATOM 493 CA THR A 33 -0.182 4.425 -8.872 1.00 0.00 C ATOM 494 C THR A 33 0.864 5.509 -8.635 1.00 0.00 C ATOM 495 O THR A 33 1.883 5.270 -7.988 1.00 0.00 O ATOM 496 CB THR A 33 -0.579 3.807 -7.518 1.00 0.00 C ATOM 497 OG1 THR A 33 0.584 3.309 -6.847 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.581 2.679 -7.712 1.00 0.00 C ATOM 0 H THR A 33 1.312 3.223 -9.720 1.00 0.00 H new ATOM 0 HA THR A 33 -1.064 4.869 -9.333 1.00 0.00 H new ATOM 0 HB THR A 33 -1.043 4.584 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.386 3.717 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.847 2.258 -6.742 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.477 3.067 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.138 1.903 -8.336 1.00 0.00 H new ATOM 506 N GLU A 34 0.604 6.701 -9.163 1.00 0.00 N ATOM 507 CA GLU A 34 1.524 7.822 -9.008 1.00 0.00 C ATOM 508 C GLU A 34 1.303 8.526 -7.673 1.00 0.00 C ATOM 509 O GLU A 34 0.177 8.878 -7.323 1.00 0.00 O ATOM 510 CB GLU A 34 1.349 8.817 -10.158 1.00 0.00 C ATOM 511 CG GLU A 34 2.026 8.382 -11.447 1.00 0.00 C ATOM 512 CD GLU A 34 1.167 7.441 -12.268 1.00 0.00 C ATOM 513 OE1 GLU A 34 0.642 6.464 -11.693 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.019 7.680 -13.485 1.00 0.00 O ATOM 0 H GLU A 34 -0.235 6.915 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 34 2.541 7.430 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.285 8.958 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.750 9.784 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.265 9.263 -12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.970 7.892 -11.210 1.00 0.00 H new ATOM 521 N GLY A 35 2.387 8.729 -6.930 1.00 0.00 N ATOM 522 CA GLY A 35 2.292 9.389 -5.642 1.00 0.00 C ATOM 523 C GLY A 35 2.848 8.543 -4.514 1.00 0.00 C ATOM 524 O GLY A 35 2.761 8.919 -3.345 1.00 0.00 O ATOM 0 H GLY A 35 3.330 8.448 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.831 10.336 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.248 9.625 -5.434 1.00 0.00 H new ATOM 528 N VAL A 36 3.420 7.396 -4.864 1.00 0.00 N ATOM 529 CA VAL A 36 3.993 6.493 -3.872 1.00 0.00 C ATOM 530 C VAL A 36 5.311 7.036 -3.331 1.00 0.00 C ATOM 531 O VAL A 36 5.997 7.810 -3.999 1.00 0.00 O ATOM 532 CB VAL A 36 4.231 5.090 -4.461 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.078 4.689 -5.368 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.553 5.046 -5.213 1.00 0.00 C ATOM 0 H VAL A 36 3.499 7.069 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 36 3.272 6.419 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 36 4.282 4.374 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.264 3.695 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.151 4.679 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.992 5.405 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.705 4.048 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.534 5.773 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.368 5.286 -4.530 1.00 0.00 H new ATOM 544 N LEU A 37 5.659 6.625 -2.116 1.00 0.00 N ATOM 545 CA LEU A 37 6.896 7.070 -1.484 1.00 0.00 C ATOM 546 C LEU A 37 7.860 5.902 -1.292 1.00 0.00 C ATOM 547 O LEU A 37 9.032 5.986 -1.658 1.00 0.00 O ATOM 548 CB LEU A 37 6.596 7.725 -0.135 1.00 0.00 C ATOM 549 CG LEU A 37 7.564 8.822 0.309 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.531 9.989 -0.667 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.228 9.292 1.717 1.00 0.00 C ATOM 0 H LEU A 37 5.102 5.985 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 37 7.367 7.802 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.592 8.148 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.584 6.948 0.629 1.00 0.00 H new ATOM 0 HG LEU A 37 8.573 8.409 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.226 10.760 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.820 9.642 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.523 10.402 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.927 10.073 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.212 9.688 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.303 8.453 2.408 1.00 0.00 H new ATOM 563 N ASP A 38 7.356 4.815 -0.719 1.00 0.00 N ATOM 564 CA ASP A 38 8.171 3.629 -0.482 1.00 0.00 C ATOM 565 C ASP A 38 7.293 2.414 -0.199 1.00 0.00 C ATOM 566 O ASP A 38 6.140 2.550 0.210 1.00 0.00 O ATOM 567 CB ASP A 38 9.127 3.866 0.688 1.00 0.00 C ATOM 568 CG ASP A 38 10.416 3.080 0.551 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.946 3.001 -0.577 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.896 2.545 1.572 1.00 0.00 O ATOM 0 H ASP A 38 6.388 4.730 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 38 8.753 3.433 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.358 4.929 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.633 3.588 1.619 1.00 0.00 H new ATOM 575 N VAL A 39 7.846 1.226 -0.421 1.00 0.00 N ATOM 576 CA VAL A 39 7.114 -0.014 -0.190 1.00 0.00 C ATOM 577 C VAL A 39 7.729 -0.811 0.955 1.00 0.00 C ATOM 578 O VAL A 39 8.951 -0.915 1.065 1.00 0.00 O ATOM 579 CB VAL A 39 7.084 -0.892 -1.455 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.545 -2.277 -1.130 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.253 -0.229 -2.543 1.00 0.00 C ATOM 0 H VAL A 39 8.799 1.096 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 39 6.094 0.265 0.073 1.00 0.00 H new ATOM 0 HB VAL A 39 8.103 -1.003 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.531 -2.884 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.185 -2.751 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.533 -2.190 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.242 -0.863 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.233 -0.087 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.687 0.739 -2.794 1.00 0.00 H new ATOM 591 N ILE A 40 6.875 -1.371 1.805 1.00 0.00 N ATOM 592 CA ILE A 40 7.336 -2.160 2.940 1.00 0.00 C ATOM 593 C ILE A 40 6.821 -3.594 2.858 1.00 0.00 C ATOM 594 O ILE A 40 5.668 -3.831 2.497 1.00 0.00 O ATOM 595 CB ILE A 40 6.885 -1.541 4.276 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.286 -0.066 4.341 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.482 -2.310 5.445 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.237 0.871 3.784 1.00 0.00 C ATOM 0 H ILE A 40 5.861 -1.293 1.729 1.00 0.00 H new ATOM 0 HA ILE A 40 8.425 -2.164 2.900 1.00 0.00 H new ATOM 0 HB ILE A 40 5.799 -1.606 4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.487 0.202 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.216 0.074 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.154 -1.860 6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.151 -3.348 5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.570 -2.274 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.589 1.900 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.053 0.630 2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.312 0.760 4.350 1.00 0.00 H new ATOM 610 N VAL A 41 7.684 -4.547 3.197 1.00 0.00 N ATOM 611 CA VAL A 41 7.316 -5.957 3.165 1.00 0.00 C ATOM 612 C VAL A 41 7.364 -6.570 4.560 1.00 0.00 C ATOM 613 O VAL A 41 8.311 -6.348 5.314 1.00 0.00 O ATOM 614 CB VAL A 41 8.245 -6.758 2.233 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.647 -6.841 2.818 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.679 -8.148 1.983 1.00 0.00 C ATOM 0 H VAL A 41 8.642 -4.368 3.497 1.00 0.00 H new ATOM 0 HA VAL A 41 6.296 -6.009 2.783 1.00 0.00 H new ATOM 0 HB VAL A 41 8.307 -6.239 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.289 -7.410 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.050 -5.836 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.608 -7.336 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.348 -8.700 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.585 -8.679 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.698 -8.063 1.516 1.00 0.00 H new ATOM 626 N TYR A 42 6.336 -7.341 4.897 1.00 0.00 N ATOM 627 CA TYR A 42 6.259 -7.984 6.203 1.00 0.00 C ATOM 628 C TYR A 42 6.624 -9.462 6.104 1.00 0.00 C ATOM 629 O TYR A 42 5.944 -10.237 5.431 1.00 0.00 O ATOM 630 CB TYR A 42 4.854 -7.832 6.788 1.00 0.00 C ATOM 631 CG TYR A 42 4.665 -6.563 7.587 1.00 0.00 C ATOM 632 CD1 TYR A 42 4.734 -5.317 6.977 1.00 0.00 C ATOM 633 CD2 TYR A 42 4.417 -6.610 8.954 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.563 -4.154 7.704 1.00 0.00 C ATOM 635 CE2 TYR A 42 4.243 -5.453 9.688 1.00 0.00 C ATOM 636 CZ TYR A 42 4.318 -4.228 9.059 1.00 0.00 C ATOM 637 OH TYR A 42 4.146 -3.072 9.787 1.00 0.00 O ATOM 0 H TYR A 42 5.545 -7.536 4.284 1.00 0.00 H new ATOM 0 HA TYR A 42 6.975 -7.495 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.127 -7.852 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.641 -8.689 7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.925 -5.256 5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.359 -7.567 9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.621 -3.193 7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.049 -5.507 10.749 1.00 0.00 H new ATOM 0 HH TYR A 42 3.981 -3.298 10.726 1.00 0.00 H new ATOM 647 N ALA A 43 7.701 -9.846 6.781 1.00 0.00 N ATOM 648 CA ALA A 43 8.156 -11.231 6.772 1.00 0.00 C ATOM 649 C ALA A 43 9.327 -11.430 7.728 1.00 0.00 C ATOM 650 O ALA A 43 9.925 -10.464 8.202 1.00 0.00 O ATOM 651 CB ALA A 43 8.546 -11.650 5.363 1.00 0.00 C ATOM 0 H ALA A 43 8.275 -9.217 7.343 1.00 0.00 H new ATOM 0 HA ALA A 43 7.333 -11.860 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.884 -12.686 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.684 -11.555 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.351 -11.009 5.003 1.00 0.00 H new ATOM 657 N SER A 44 9.649 -12.689 8.009 1.00 0.00 N ATOM 658 CA SER A 44 10.746 -13.014 8.912 1.00 0.00 C ATOM 659 C SER A 44 12.092 -12.858 8.211 1.00 0.00 C ATOM 660 O SER A 44 12.618 -13.810 7.635 1.00 0.00 O ATOM 661 CB SER A 44 10.594 -14.443 9.438 1.00 0.00 C ATOM 662 OG SER A 44 11.583 -14.736 10.410 1.00 0.00 O ATOM 0 H SER A 44 9.165 -13.500 7.624 1.00 0.00 H new ATOM 0 HA SER A 44 10.711 -12.319 9.751 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.603 -14.570 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.672 -15.149 8.611 1.00 0.00 H new ATOM 0 HG SER A 44 11.464 -15.654 10.732 1.00 0.00 H new ATOM 668 N ALA A 45 12.643 -11.650 8.266 1.00 0.00 N ATOM 669 CA ALA A 45 13.929 -11.369 7.638 1.00 0.00 C ATOM 670 C ALA A 45 14.060 -12.097 6.305 1.00 0.00 C ATOM 671 O ALA A 45 15.139 -12.568 5.948 1.00 0.00 O ATOM 672 CB ALA A 45 15.067 -11.758 8.569 1.00 0.00 C ATOM 0 H ALA A 45 12.220 -10.851 8.738 1.00 0.00 H new ATOM 0 HA ALA A 45 13.984 -10.298 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.021 -11.543 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.991 -11.187 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.006 -12.823 8.793 1.00 0.00 H new ATOM 678 N ALA A 46 12.954 -12.187 5.573 1.00 0.00 N ATOM 679 CA ALA A 46 12.947 -12.857 4.279 1.00 0.00 C ATOM 680 C ALA A 46 11.634 -12.615 3.543 1.00 0.00 C ATOM 681 O ALA A 46 10.559 -12.948 4.043 1.00 0.00 O ATOM 682 CB ALA A 46 13.187 -14.349 4.456 1.00 0.00 C ATOM 0 H ALA A 46 12.052 -11.804 5.855 1.00 0.00 H new ATOM 0 HA ALA A 46 13.754 -12.439 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.179 -14.837 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.154 -14.508 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.400 -14.773 5.080 1.00 0.00 H new ATOM 688 N ASP A 47 11.727 -12.032 2.353 1.00 0.00 N ATOM 689 CA ASP A 47 10.546 -11.745 1.547 1.00 0.00 C ATOM 690 C ASP A 47 10.516 -12.618 0.297 1.00 0.00 C ATOM 691 O ASP A 47 10.129 -12.165 -0.781 1.00 0.00 O ATOM 692 CB ASP A 47 10.518 -10.267 1.153 1.00 0.00 C ATOM 693 CG ASP A 47 11.905 -9.709 0.899 1.00 0.00 C ATOM 694 OD1 ASP A 47 12.832 -10.511 0.662 1.00 0.00 O ATOM 695 OD2 ASP A 47 12.063 -8.471 0.938 1.00 0.00 O ATOM 0 H ASP A 47 12.608 -11.749 1.925 1.00 0.00 H new ATOM 0 HA ASP A 47 9.664 -11.970 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.910 -10.144 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.038 -9.692 1.945 1.00 0.00 H new ATOM 700 N LYS A 48 10.928 -13.872 0.447 1.00 0.00 N ATOM 701 CA LYS A 48 10.948 -14.810 -0.669 1.00 0.00 C ATOM 702 C LYS A 48 10.288 -16.130 -0.282 1.00 0.00 C ATOM 703 O LYS A 48 9.527 -16.705 -1.060 1.00 0.00 O ATOM 704 CB LYS A 48 12.387 -15.062 -1.124 1.00 0.00 C ATOM 705 CG LYS A 48 13.344 -15.355 0.018 1.00 0.00 C ATOM 706 CD LYS A 48 14.735 -15.691 -0.492 1.00 0.00 C ATOM 707 CE LYS A 48 15.586 -14.441 -0.658 1.00 0.00 C ATOM 708 NZ LYS A 48 15.447 -13.851 -2.018 1.00 0.00 N ATOM 0 H LYS A 48 11.253 -14.263 1.331 1.00 0.00 H new ATOM 0 HA LYS A 48 10.385 -14.369 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.397 -15.901 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.744 -14.190 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.397 -14.491 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.962 -16.187 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.223 -16.375 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.658 -16.209 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.296 -13.703 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.632 -14.687 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.387 -13.756 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.854 -14.471 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.003 -12.913 -1.946 1.00 0.00 H new ATOM 722 N MET A 49 10.584 -16.603 0.924 1.00 0.00 N ATOM 723 CA MET A 49 10.017 -17.854 1.414 1.00 0.00 C ATOM 724 C MET A 49 8.919 -17.589 2.440 1.00 0.00 C ATOM 725 O MET A 49 7.799 -18.082 2.308 1.00 0.00 O ATOM 726 CB MET A 49 11.110 -18.727 2.034 1.00 0.00 C ATOM 727 CG MET A 49 10.685 -20.170 2.252 1.00 0.00 C ATOM 728 SD MET A 49 10.109 -20.961 0.738 1.00 0.00 S ATOM 729 CE MET A 49 9.127 -22.301 1.408 1.00 0.00 C ATOM 0 H MET A 49 11.213 -16.139 1.580 1.00 0.00 H new ATOM 0 HA MET A 49 9.579 -18.381 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.988 -18.709 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 49 11.409 -18.297 2.990 1.00 0.00 H new ATOM 0 HG2 MET A 49 11.525 -20.735 2.655 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.891 -20.202 2.999 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.702 -22.884 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.758 -22.943 2.022 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.322 -21.892 2.019 1.00 0.00 H new ATOM 739 N LYS A 50 9.248 -16.806 3.462 1.00 0.00 N ATOM 740 CA LYS A 50 8.291 -16.474 4.511 1.00 0.00 C ATOM 741 C LYS A 50 7.173 -15.590 3.967 1.00 0.00 C ATOM 742 O LYS A 50 6.021 -15.707 4.380 1.00 0.00 O ATOM 743 CB LYS A 50 8.998 -15.765 5.669 1.00 0.00 C ATOM 744 CG LYS A 50 10.087 -16.600 6.318 1.00 0.00 C ATOM 745 CD LYS A 50 9.527 -17.500 7.407 1.00 0.00 C ATOM 746 CE LYS A 50 10.435 -18.691 7.669 1.00 0.00 C ATOM 747 NZ LYS A 50 11.465 -18.388 8.701 1.00 0.00 N ATOM 0 H LYS A 50 10.171 -16.389 3.586 1.00 0.00 H new ATOM 0 HA LYS A 50 7.852 -17.403 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.434 -14.835 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.260 -15.495 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.580 -17.209 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.846 -15.943 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.403 -16.927 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.538 -17.853 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.835 -19.541 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.926 -18.984 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.063 -19.225 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.055 -17.594 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.997 -18.133 9.594 1.00 0.00 H new ATOM 761 N ASN A 51 7.522 -14.708 3.035 1.00 0.00 N ATOM 762 CA ASN A 51 6.547 -13.806 2.434 1.00 0.00 C ATOM 763 C ASN A 51 5.269 -14.553 2.067 1.00 0.00 C ATOM 764 O ASN A 51 5.303 -15.536 1.326 1.00 0.00 O ATOM 765 CB ASN A 51 7.138 -13.140 1.189 1.00 0.00 C ATOM 766 CG ASN A 51 6.865 -13.932 -0.075 1.00 0.00 C ATOM 767 OD1 ASN A 51 7.699 -14.720 -0.519 1.00 0.00 O ATOM 768 ND2 ASN A 51 5.691 -13.725 -0.660 1.00 0.00 N ATOM 0 H ASN A 51 8.472 -14.599 2.680 1.00 0.00 H new ATOM 0 HA ASN A 51 6.299 -13.038 3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.722 -12.138 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.214 -13.026 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.450 -14.229 -1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.030 -13.062 -0.256 1.00 0.00 H new ATOM 775 N ARG A 52 4.142 -14.079 2.589 1.00 0.00 N ATOM 776 CA ARG A 52 2.852 -14.702 2.317 1.00 0.00 C ATOM 777 C ARG A 52 2.396 -14.407 0.891 1.00 0.00 C ATOM 778 O ARG A 52 1.838 -15.270 0.215 1.00 0.00 O ATOM 779 CB ARG A 52 1.802 -14.206 3.313 1.00 0.00 C ATOM 780 CG ARG A 52 2.174 -14.457 4.765 1.00 0.00 C ATOM 781 CD ARG A 52 1.533 -13.434 5.689 1.00 0.00 C ATOM 782 NE ARG A 52 1.959 -13.605 7.075 1.00 0.00 N ATOM 783 CZ ARG A 52 1.562 -14.610 7.847 1.00 0.00 C ATOM 784 NH1 ARG A 52 0.733 -15.529 7.371 1.00 0.00 N ATOM 785 NH2 ARG A 52 1.993 -14.697 9.099 1.00 0.00 N ATOM 0 H ARG A 52 4.096 -13.266 3.203 1.00 0.00 H new ATOM 0 HA ARG A 52 2.967 -15.780 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.650 -13.137 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.852 -14.696 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.858 -15.459 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.258 -14.420 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.790 -12.430 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.448 -13.522 5.630 1.00 0.00 H new ATOM 0 HE ARG A 52 2.596 -12.915 7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.399 -15.465 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.430 -16.300 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.630 -13.992 9.469 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.687 -15.469 9.691 1.00 0.00 H new ATOM 799 N GLY A 53 2.637 -13.179 0.440 1.00 0.00 N ATOM 800 CA GLY A 53 2.244 -12.791 -0.902 1.00 0.00 C ATOM 801 C GLY A 53 1.588 -11.426 -0.942 1.00 0.00 C ATOM 802 O GLY A 53 0.726 -11.168 -1.783 1.00 0.00 O ATOM 0 H GLY A 53 3.097 -12.446 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.122 -12.788 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.555 -13.534 -1.305 1.00 0.00 H new ATOM 806 N PHE A 54 1.993 -10.549 -0.030 1.00 0.00 N ATOM 807 CA PHE A 54 1.436 -9.203 0.038 1.00 0.00 C ATOM 808 C PHE A 54 2.537 -8.168 0.249 1.00 0.00 C ATOM 809 O PHE A 54 3.683 -8.515 0.536 1.00 0.00 O ATOM 810 CB PHE A 54 0.409 -9.109 1.168 1.00 0.00 C ATOM 811 CG PHE A 54 0.273 -7.728 1.742 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.268 -7.197 2.548 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.848 -6.959 1.474 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.145 -5.926 3.077 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.977 -5.688 2.001 1.00 0.00 C ATOM 816 CZ PHE A 54 0.022 -5.170 2.802 1.00 0.00 C ATOM 0 H PHE A 54 2.705 -10.746 0.673 1.00 0.00 H new ATOM 0 HA PHE A 54 0.942 -8.994 -0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.561 -9.435 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.692 -9.798 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.149 -7.783 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.631 -7.358 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.926 -5.524 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.858 -5.101 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.075 -4.176 3.213 1.00 0.00 H new ATOM 826 N ALA A 55 2.181 -6.896 0.104 1.00 0.00 N ATOM 827 CA ALA A 55 3.138 -5.811 0.280 1.00 0.00 C ATOM 828 C ALA A 55 2.442 -4.534 0.739 1.00 0.00 C ATOM 829 O ALA A 55 1.221 -4.409 0.635 1.00 0.00 O ATOM 830 CB ALA A 55 3.900 -5.563 -1.014 1.00 0.00 C ATOM 0 H ALA A 55 1.237 -6.592 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 55 3.846 -6.107 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.611 -4.750 -0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.437 -6.468 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.198 -5.293 -1.803 1.00 0.00 H new ATOM 836 N PHE A 56 3.225 -3.587 1.246 1.00 0.00 N ATOM 837 CA PHE A 56 2.682 -2.320 1.722 1.00 0.00 C ATOM 838 C PHE A 56 3.218 -1.155 0.895 1.00 0.00 C ATOM 839 O PHE A 56 4.421 -1.050 0.655 1.00 0.00 O ATOM 840 CB PHE A 56 3.029 -2.115 3.198 1.00 0.00 C ATOM 841 CG PHE A 56 1.983 -2.641 4.138 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.689 -2.146 4.103 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.293 -3.630 5.058 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.277 -2.628 4.966 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.332 -4.116 5.924 1.00 0.00 C ATOM 846 CZ PHE A 56 0.046 -3.614 5.879 1.00 0.00 C ATOM 0 H PHE A 56 4.237 -3.673 1.338 1.00 0.00 H new ATOM 0 HA PHE A 56 1.598 -2.353 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.978 -2.607 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.172 -1.051 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.432 -1.374 3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.297 -4.025 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.282 -2.235 4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.586 -4.888 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.706 -3.991 6.556 1.00 0.00 H new ATOM 856 N VAL A 57 2.315 -0.281 0.461 1.00 0.00 N ATOM 857 CA VAL A 57 2.695 0.878 -0.338 1.00 0.00 C ATOM 858 C VAL A 57 2.365 2.178 0.387 1.00 0.00 C ATOM 859 O VAL A 57 1.198 2.536 0.539 1.00 0.00 O ATOM 860 CB VAL A 57 1.988 0.872 -1.706 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.696 1.804 -2.677 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.920 -0.541 -2.264 1.00 0.00 C ATOM 0 H VAL A 57 1.315 -0.354 0.649 1.00 0.00 H new ATOM 0 HA VAL A 57 3.772 0.816 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 57 0.969 1.234 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.182 1.787 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.687 2.819 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.727 1.476 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.417 -0.526 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.930 -0.933 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.364 -1.178 -1.576 1.00 0.00 H new ATOM 872 N GLU A 58 3.402 2.880 0.833 1.00 0.00 N ATOM 873 CA GLU A 58 3.222 4.141 1.542 1.00 0.00 C ATOM 874 C GLU A 58 3.147 5.310 0.564 1.00 0.00 C ATOM 875 O GLU A 58 3.985 5.441 -0.328 1.00 0.00 O ATOM 876 CB GLU A 58 4.366 4.363 2.533 1.00 0.00 C ATOM 877 CG GLU A 58 4.053 5.393 3.605 1.00 0.00 C ATOM 878 CD GLU A 58 5.298 6.059 4.156 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.923 5.485 5.073 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.648 7.155 3.670 1.00 0.00 O ATOM 0 H GLU A 58 4.375 2.597 0.716 1.00 0.00 H new ATOM 0 HA GLU A 58 2.281 4.088 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.609 3.415 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.253 4.680 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.392 6.154 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.513 4.911 4.420 1.00 0.00 H new ATOM 887 N TYR A 59 2.138 6.156 0.739 1.00 0.00 N ATOM 888 CA TYR A 59 1.951 7.313 -0.129 1.00 0.00 C ATOM 889 C TYR A 59 2.145 8.613 0.646 1.00 0.00 C ATOM 890 O TYR A 59 1.606 8.782 1.739 1.00 0.00 O ATOM 891 CB TYR A 59 0.558 7.284 -0.759 1.00 0.00 C ATOM 892 CG TYR A 59 0.350 6.135 -1.719 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.116 4.847 -1.252 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.388 6.336 -3.093 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.073 3.794 -2.125 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.199 5.289 -3.974 1.00 0.00 C ATOM 897 CZ TYR A 59 -0.031 4.020 -3.485 1.00 0.00 C ATOM 898 OH TYR A 59 -0.221 2.973 -4.359 1.00 0.00 O ATOM 0 H TYR A 59 1.437 6.062 1.474 1.00 0.00 H new ATOM 0 HA TYR A 59 2.701 7.268 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.188 7.224 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.388 8.222 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.081 4.667 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.568 7.328 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.253 2.799 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.231 5.463 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 59 0.268 3.148 -5.190 1.00 0.00 H new ATOM 908 N GLU A 60 2.918 9.528 0.070 1.00 0.00 N ATOM 909 CA GLU A 60 3.184 10.813 0.706 1.00 0.00 C ATOM 910 C GLU A 60 1.892 11.602 0.898 1.00 0.00 C ATOM 911 O GLU A 60 1.626 12.125 1.980 1.00 0.00 O ATOM 912 CB GLU A 60 4.172 11.627 -0.132 1.00 0.00 C ATOM 913 CG GLU A 60 3.737 11.815 -1.575 1.00 0.00 C ATOM 914 CD GLU A 60 4.764 12.564 -2.402 1.00 0.00 C ATOM 915 OE1 GLU A 60 4.989 13.761 -2.125 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.343 11.954 -3.325 1.00 0.00 O ATOM 0 H GLU A 60 3.371 9.404 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 60 3.622 10.621 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.306 12.606 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.143 11.132 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.555 10.839 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.792 12.358 -1.598 1.00 0.00 H new ATOM 923 N SER A 61 1.093 11.685 -0.161 1.00 0.00 N ATOM 924 CA SER A 61 -0.169 12.413 -0.112 1.00 0.00 C ATOM 925 C SER A 61 -1.302 11.506 0.357 1.00 0.00 C ATOM 926 O SER A 61 -1.635 10.518 -0.299 1.00 0.00 O ATOM 927 CB SER A 61 -0.501 12.994 -1.488 1.00 0.00 C ATOM 928 OG SER A 61 -1.351 14.122 -1.374 1.00 0.00 O ATOM 0 H SER A 61 1.298 11.257 -1.064 1.00 0.00 H new ATOM 0 HA SER A 61 -0.061 13.229 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.419 13.278 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.983 12.232 -2.101 1.00 0.00 H new ATOM 0 HG SER A 61 -1.547 14.476 -2.267 1.00 0.00 H new ATOM 934 N HIS A 62 -1.893 11.849 1.498 1.00 0.00 N ATOM 935 CA HIS A 62 -2.990 11.066 2.056 1.00 0.00 C ATOM 936 C HIS A 62 -3.914 10.562 0.952 1.00 0.00 C ATOM 937 O HIS A 62 -4.427 9.445 1.021 1.00 0.00 O ATOM 938 CB HIS A 62 -3.783 11.904 3.059 1.00 0.00 C ATOM 939 CG HIS A 62 -4.906 11.156 3.709 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.847 10.443 2.996 1.00 0.00 N ATOM 941 CD2 HIS A 62 -5.235 11.010 5.014 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.708 9.893 3.835 1.00 0.00 C ATOM 943 NE2 HIS A 62 -6.358 10.222 5.065 1.00 0.00 N ATOM 0 H HIS A 62 -1.631 12.663 2.053 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.565 10.204 2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.106 12.269 3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.187 12.779 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.711 11.434 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.553 9.279 3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.844 9.937 5.915 1.00 0.00 H new ATOM 951 N ARG A 63 -4.123 11.394 -0.064 1.00 0.00 N ATOM 952 CA ARG A 63 -4.987 11.033 -1.181 1.00 0.00 C ATOM 953 C ARG A 63 -4.266 10.098 -2.147 1.00 0.00 C ATOM 954 O ARG A 63 -4.830 9.103 -2.601 1.00 0.00 O ATOM 955 CB ARG A 63 -5.451 12.289 -1.921 1.00 0.00 C ATOM 956 CG ARG A 63 -6.395 12.001 -3.077 1.00 0.00 C ATOM 957 CD ARG A 63 -7.845 11.975 -2.619 1.00 0.00 C ATOM 958 NE ARG A 63 -8.657 11.069 -3.427 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.972 11.194 -3.574 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.619 12.182 -2.971 1.00 0.00 N ATOM 961 NH2 ARG A 63 -10.642 10.330 -4.326 1.00 0.00 N ATOM 0 H ARG A 63 -3.706 12.322 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.857 10.513 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.948 12.954 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.578 12.821 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.270 12.761 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.138 11.043 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.890 11.668 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.261 12.981 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.189 10.298 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.107 12.848 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.628 12.276 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.148 9.569 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.651 10.427 -4.438 1.00 0.00 H new ATOM 975 N ALA A 64 -3.015 10.426 -2.456 1.00 0.00 N ATOM 976 CA ALA A 64 -2.216 9.615 -3.367 1.00 0.00 C ATOM 977 C ALA A 64 -2.510 8.130 -3.181 1.00 0.00 C ATOM 978 O ALA A 64 -2.453 7.353 -4.134 1.00 0.00 O ATOM 979 CB ALA A 64 -0.735 9.892 -3.158 1.00 0.00 C ATOM 0 H ALA A 64 -2.534 11.247 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.485 9.887 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.150 9.280 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.532 10.946 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.461 9.649 -2.131 1.00 0.00 H new ATOM 985 N ALA A 65 -2.823 7.743 -1.949 1.00 0.00 N ATOM 986 CA ALA A 65 -3.126 6.351 -1.640 1.00 0.00 C ATOM 987 C ALA A 65 -4.586 6.028 -1.941 1.00 0.00 C ATOM 988 O ALA A 65 -4.896 4.968 -2.484 1.00 0.00 O ATOM 989 CB ALA A 65 -2.808 6.054 -0.182 1.00 0.00 C ATOM 0 H ALA A 65 -2.873 8.374 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.503 5.719 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.039 5.011 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.750 6.238 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.407 6.700 0.460 1.00 0.00 H new ATOM 995 N ALA A 66 -5.477 6.947 -1.585 1.00 0.00 N ATOM 996 CA ALA A 66 -6.903 6.759 -1.819 1.00 0.00 C ATOM 997 C ALA A 66 -7.217 6.743 -3.311 1.00 0.00 C ATOM 998 O ALA A 66 -7.881 5.833 -3.805 1.00 0.00 O ATOM 999 CB ALA A 66 -7.701 7.851 -1.121 1.00 0.00 C ATOM 0 H ALA A 66 -5.236 7.829 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.190 5.793 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.765 7.698 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.509 7.813 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.402 8.825 -1.509 1.00 0.00 H new ATOM 1005 N MET A 67 -6.736 7.757 -4.023 1.00 0.00 N ATOM 1006 CA MET A 67 -6.966 7.859 -5.459 1.00 0.00 C ATOM 1007 C MET A 67 -6.172 6.797 -6.213 1.00 0.00 C ATOM 1008 O MET A 67 -6.399 6.565 -7.401 1.00 0.00 O ATOM 1009 CB MET A 67 -6.582 9.252 -5.962 1.00 0.00 C ATOM 1010 CG MET A 67 -5.113 9.587 -5.759 1.00 0.00 C ATOM 1011 SD MET A 67 -4.478 10.715 -7.015 1.00 0.00 S ATOM 1012 CE MET A 67 -4.329 12.227 -6.067 1.00 0.00 C ATOM 0 H MET A 67 -6.185 8.519 -3.629 1.00 0.00 H new ATOM 0 HA MET A 67 -8.027 7.694 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.820 9.325 -7.023 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.190 9.996 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.979 10.034 -4.774 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.529 8.667 -5.774 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.653 12.912 -6.579 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.310 12.692 -5.967 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.933 11.998 -5.077 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.241 6.154 -5.516 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.416 5.115 -6.119 1.00 0.00 C ATOM 1024 C ALA A 68 -5.104 3.757 -6.049 1.00 0.00 C ATOM 1025 O ALA A 68 -4.995 2.946 -6.969 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.057 5.057 -5.436 1.00 0.00 C ATOM 0 H ALA A 68 -5.039 6.335 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.272 5.365 -7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.451 4.277 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.554 6.018 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.191 4.835 -4.377 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.812 3.513 -4.951 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.516 2.251 -4.760 1.00 0.00 C ATOM 1034 C ARG A 69 -7.759 2.183 -5.642 1.00 0.00 C ATOM 1035 O ARG A 69 -8.098 1.126 -6.174 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.910 2.080 -3.292 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.614 3.292 -2.704 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.133 3.011 -1.303 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.486 2.461 -1.321 1.00 0.00 N ATOM 1040 CZ ARG A 69 -9.750 1.161 -1.393 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -8.759 0.282 -1.454 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.008 0.738 -1.405 1.00 0.00 N ATOM 0 H ARG A 69 -5.913 4.173 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.844 1.442 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.562 1.211 -3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.015 1.871 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.925 4.136 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.444 3.580 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.464 2.311 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.124 3.933 -0.721 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.271 3.111 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.791 0.603 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.965 -0.716 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.773 1.411 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.210 -0.260 -1.460 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.434 3.318 -5.793 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.640 3.387 -6.609 1.00 0.00 C ATOM 1058 C ARG A 70 -9.336 3.024 -8.060 1.00 0.00 C ATOM 1059 O ARG A 70 -10.245 2.863 -8.875 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.249 4.788 -6.540 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.012 5.184 -7.794 1.00 0.00 C ATOM 1062 CD ARG A 70 -11.574 6.592 -7.683 1.00 0.00 C ATOM 1063 NE ARG A 70 -12.708 6.659 -6.766 1.00 0.00 N ATOM 1064 CZ ARG A 70 -13.586 7.655 -6.753 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -13.461 8.664 -7.605 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -14.592 7.644 -5.888 1.00 0.00 N ATOM 0 H ARG A 70 -8.166 4.202 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.357 2.667 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.922 4.841 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.454 5.512 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.351 5.122 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.826 4.479 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.791 7.269 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.885 6.937 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.833 5.898 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.689 8.676 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.137 9.428 -7.593 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.692 6.870 -5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.266 8.410 -5.879 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.052 2.897 -8.376 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.626 2.553 -9.727 1.00 0.00 C ATOM 1082 C LYS A 71 -7.374 1.054 -9.853 1.00 0.00 C ATOM 1083 O LYS A 71 -7.574 0.467 -10.917 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.359 3.327 -10.098 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.863 3.044 -11.505 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.453 3.570 -11.716 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.775 2.889 -12.896 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.709 3.742 -13.490 1.00 0.00 N ATOM 0 H LYS A 71 -7.287 3.027 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.426 2.828 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.554 4.395 -9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.571 3.079 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.883 1.970 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.536 3.504 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.487 4.646 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.864 3.408 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.344 1.942 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.519 2.655 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.365 3.306 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.095 4.685 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.921 3.833 -12.817 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.934 0.439 -8.760 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.656 -0.993 -8.747 1.00 0.00 C ATOM 1104 C LEU A 72 -7.716 -1.747 -7.952 1.00 0.00 C ATOM 1105 O LEU A 72 -7.696 -2.975 -7.880 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.271 -1.258 -8.153 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.210 -0.190 -8.420 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.106 -0.262 -7.377 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.634 -0.350 -9.820 1.00 0.00 C ATOM 0 H LEU A 72 -6.762 0.910 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.678 -1.352 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.377 -1.375 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.907 -2.209 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.683 0.790 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.360 0.505 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.530 -0.099 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.635 -1.244 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.880 0.418 -9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.177 -1.335 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.432 -0.248 -10.556 1.00 0.00 H new ATOM 1121 N MET A 73 -8.643 -1.002 -7.358 1.00 0.00 N ATOM 1122 CA MET A 73 -9.715 -1.601 -6.570 1.00 0.00 C ATOM 1123 C MET A 73 -10.461 -2.656 -7.381 1.00 0.00 C ATOM 1124 O MET A 73 -10.639 -3.795 -6.949 1.00 0.00 O ATOM 1125 CB MET A 73 -10.690 -0.523 -6.093 1.00 0.00 C ATOM 1126 CG MET A 73 -11.235 -0.773 -4.696 1.00 0.00 C ATOM 1127 SD MET A 73 -12.205 -2.289 -4.590 1.00 0.00 S ATOM 1128 CE MET A 73 -11.179 -3.272 -3.500 1.00 0.00 C ATOM 0 H MET A 73 -8.674 0.016 -7.407 1.00 0.00 H new ATOM 0 HA MET A 73 -9.268 -2.085 -5.702 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.187 0.444 -6.110 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.523 -0.462 -6.794 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.406 -0.827 -3.991 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.855 0.072 -4.395 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.647 -4.243 -3.337 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.198 -3.413 -3.953 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.067 -2.759 -2.545 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.910 -2.270 -8.585 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.644 -3.168 -9.481 1.00 0.00 C ATOM 1140 C PRO A 74 -10.757 -4.267 -10.055 1.00 0.00 C ATOM 1141 O PRO A 74 -11.236 -5.173 -10.735 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.131 -2.237 -10.595 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.161 -1.106 -10.595 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.734 -0.927 -9.164 1.00 0.00 C ATOM 0 HA PRO A 74 -12.447 -3.693 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.145 -2.746 -11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.146 -1.888 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.305 -1.326 -11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.622 -0.197 -10.982 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.700 -0.591 -9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.346 -0.185 -8.652 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.460 -4.180 -9.777 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.526 -5.174 -10.274 1.00 0.00 C ATOM 1154 C GLY A 75 -8.295 -5.057 -11.767 1.00 0.00 C ATOM 1155 O GLY A 75 -8.005 -6.049 -12.436 1.00 0.00 O ATOM 0 H GLY A 75 -9.039 -3.439 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.575 -5.067 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.904 -6.170 -10.045 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.425 -3.843 -12.291 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.232 -3.601 -13.716 1.00 0.00 C ATOM 1161 C ARG A 76 -6.760 -3.741 -14.096 1.00 0.00 C ATOM 1162 O ARG A 76 -6.433 -4.079 -15.234 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.736 -2.206 -14.091 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.242 -2.047 -13.961 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.983 -2.939 -14.945 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.432 -2.794 -14.830 1.00 0.00 N ATOM 1167 CZ ARG A 76 -13.301 -3.567 -15.471 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.870 -4.535 -16.268 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -14.604 -3.373 -15.316 1.00 0.00 N ATOM 0 H ARG A 76 -8.663 -3.011 -11.750 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.805 -4.347 -14.267 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.245 -1.469 -13.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.443 -1.987 -15.118 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.548 -2.292 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.515 -1.006 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.673 -2.694 -15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.708 -3.979 -14.770 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.796 -2.059 -14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.869 -4.687 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.540 -5.127 -16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.940 -2.629 -14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.270 -3.967 -15.809 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.879 -3.479 -13.137 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.444 -3.577 -13.371 1.00 0.00 C ATOM 1185 C ILE A 77 -3.844 -4.761 -12.620 1.00 0.00 C ATOM 1186 O ILE A 77 -4.208 -5.032 -11.476 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.715 -2.289 -12.944 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.188 -1.105 -13.788 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.209 -2.467 -13.068 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.359 -0.361 -13.184 1.00 0.00 C ATOM 0 H ILE A 77 -6.134 -3.197 -12.190 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.308 -3.723 -14.443 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.952 -2.084 -11.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.358 -0.411 -13.923 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.468 -1.464 -14.778 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.708 -1.548 -12.763 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.886 -3.287 -12.427 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.953 -2.693 -14.103 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.640 0.466 -13.836 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.204 -1.041 -13.074 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.077 0.029 -12.206 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.920 -5.461 -13.271 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.269 -6.615 -12.664 1.00 0.00 C ATOM 1204 C GLN A 78 -0.759 -6.412 -12.591 1.00 0.00 C ATOM 1205 O GLN A 78 -0.190 -5.628 -13.353 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.587 -7.883 -13.458 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.074 -8.177 -13.565 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.360 -9.511 -14.225 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.919 -9.770 -15.345 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.101 -10.368 -13.532 1.00 0.00 N ATOM 0 H GLN A 78 -2.606 -5.249 -14.218 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.652 -6.725 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.171 -7.787 -14.461 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.091 -8.731 -12.986 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.515 -8.167 -12.568 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.557 -7.383 -14.135 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.446 -10.112 -12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.325 -11.282 -13.925 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.115 -7.121 -11.671 1.00 0.00 N ATOM 1220 CA LEU A 79 1.330 -7.019 -11.498 1.00 0.00 C ATOM 1221 C LEU A 79 2.024 -8.304 -11.938 1.00 0.00 C ATOM 1222 O LEU A 79 1.800 -9.369 -11.364 1.00 0.00 O ATOM 1223 CB LEU A 79 1.668 -6.718 -10.037 1.00 0.00 C ATOM 1224 CG LEU A 79 1.192 -5.367 -9.502 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.513 -5.236 -8.021 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.824 -4.228 -10.289 1.00 0.00 C ATOM 0 H LEU A 79 -0.571 -7.773 -11.033 1.00 0.00 H new ATOM 0 HA LEU A 79 1.689 -6.202 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.238 -7.504 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.750 -6.773 -9.917 1.00 0.00 H new ATOM 0 HG LEU A 79 0.110 -5.310 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.167 -4.268 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.012 -6.031 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.590 -5.315 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.474 -3.274 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.909 -4.281 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.543 -4.311 -11.339 1.00 0.00 H new ATOM 1238 N TRP A 80 2.867 -8.195 -12.959 1.00 0.00 N ATOM 1239 CA TRP A 80 3.595 -9.348 -13.474 1.00 0.00 C ATOM 1240 C TRP A 80 2.634 -10.445 -13.919 1.00 0.00 C ATOM 1241 O TRP A 80 2.922 -11.632 -13.776 1.00 0.00 O ATOM 1242 CB TRP A 80 4.551 -9.891 -12.411 1.00 0.00 C ATOM 1243 CG TRP A 80 5.364 -8.824 -11.742 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.440 -8.165 -12.265 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.167 -8.295 -10.427 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.923 -7.258 -11.353 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.159 -7.317 -10.218 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.247 -8.549 -9.406 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.257 -6.598 -9.030 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.346 -7.834 -8.227 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.344 -6.867 -8.047 1.00 0.00 C ATOM 0 H TRP A 80 3.063 -7.320 -13.446 1.00 0.00 H new ATOM 0 HA TRP A 80 4.172 -9.024 -14.340 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.976 -10.427 -11.656 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.223 -10.614 -12.873 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.850 -8.332 -13.250 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.722 -6.640 -11.498 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.473 -9.291 -9.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.027 -5.854 -8.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.642 -8.024 -7.431 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.393 -6.324 -7.115 1.00 0.00 H new ATOM 1262 N GLY A 81 1.489 -10.039 -14.460 1.00 0.00 N ATOM 1263 CA GLY A 81 0.503 -11.000 -14.918 1.00 0.00 C ATOM 1264 C GLY A 81 -0.271 -11.626 -13.774 1.00 0.00 C ATOM 1265 O GLY A 81 -1.096 -12.515 -13.987 1.00 0.00 O ATOM 0 H GLY A 81 1.227 -9.062 -14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.193 -10.507 -15.597 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.002 -11.784 -15.488 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.002 -11.164 -12.557 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.679 -11.685 -11.375 1.00 0.00 C ATOM 1271 C HIS A 82 -1.749 -10.713 -10.888 1.00 0.00 C ATOM 1272 O HIS A 82 -1.510 -9.509 -10.797 1.00 0.00 O ATOM 1273 CB HIS A 82 0.332 -11.951 -10.259 1.00 0.00 C ATOM 1274 CG HIS A 82 1.156 -13.182 -10.478 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.566 -14.007 -9.452 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.646 -13.728 -11.616 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.273 -15.006 -9.948 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.337 -14.860 -11.259 1.00 0.00 N ATOM 0 H HIS A 82 0.680 -10.430 -12.364 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.163 -12.623 -11.648 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.996 -11.091 -10.169 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.200 -12.044 -9.312 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.517 -13.345 -12.618 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.722 -15.806 -9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.821 -15.486 -11.902 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.926 -11.243 -10.576 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.032 -10.421 -10.100 1.00 0.00 C ATOM 1288 C GLN A 83 -3.704 -9.797 -8.747 1.00 0.00 C ATOM 1289 O GLN A 83 -3.206 -10.473 -7.846 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.308 -11.258 -9.992 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.541 -10.444 -9.631 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.833 -11.158 -9.976 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.915 -12.384 -9.908 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.851 -10.392 -10.350 1.00 0.00 N ATOM 0 H GLN A 83 -3.139 -12.238 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.191 -9.619 -10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.482 -11.764 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.162 -12.033 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.526 -10.223 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.507 -9.489 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.738 -9.379 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.746 -10.816 -10.595 1.00 0.00 H new ATOM 1303 N ILE A 84 -3.985 -8.506 -8.613 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.719 -7.792 -7.370 1.00 0.00 C ATOM 1305 C ILE A 84 -4.949 -7.017 -6.908 1.00 0.00 C ATOM 1306 O ILE A 84 -5.801 -6.646 -7.715 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.539 -6.815 -7.523 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.767 -5.887 -8.718 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.234 -7.581 -7.683 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.508 -4.617 -8.364 1.00 0.00 C ATOM 0 H ILE A 84 -4.397 -7.933 -9.349 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.463 -8.543 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.473 -6.206 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.803 -5.626 -9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.328 -6.424 -9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.409 -6.876 -7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.067 -8.204 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.289 -8.212 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.634 -4.008 -9.259 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.487 -4.869 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.938 -4.058 -7.622 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.034 -6.776 -5.604 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.157 -6.042 -5.034 1.00 0.00 C ATOM 1324 C ALA A 85 -5.679 -5.010 -4.018 1.00 0.00 C ATOM 1325 O ALA A 85 -4.666 -5.207 -3.347 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.143 -7.004 -4.388 1.00 0.00 C ATOM 0 H ALA A 85 -4.338 -7.078 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.660 -5.512 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.976 -6.442 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.517 -7.700 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.643 -7.560 -3.595 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.416 -3.909 -3.909 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.068 -2.846 -2.974 1.00 0.00 C ATOM 1334 C VAL A 86 -7.154 -2.664 -1.919 1.00 0.00 C ATOM 1335 O VAL A 86 -8.326 -2.478 -2.246 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.847 -1.507 -3.703 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.561 -1.547 -4.515 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.038 -1.182 -4.592 1.00 0.00 C ATOM 0 H VAL A 86 -7.258 -3.730 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.139 -3.144 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.753 -0.718 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.422 -0.593 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.717 -1.731 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.622 -2.346 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.865 -0.233 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.165 -1.971 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.938 -1.108 -3.982 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.755 -2.718 -0.653 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.694 -2.558 0.451 1.00 0.00 C ATOM 1350 C ASP A 87 -7.221 -1.473 1.414 1.00 0.00 C ATOM 1351 O ASP A 87 -6.025 -1.198 1.514 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.866 -3.881 1.198 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.538 -3.702 2.546 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.721 -3.305 2.570 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -7.879 -3.958 3.576 1.00 0.00 O ATOM 0 H ASP A 87 -5.788 -2.871 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.656 -2.256 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.457 -4.565 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.890 -4.344 1.341 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.166 -0.862 2.119 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.845 0.194 3.073 1.00 0.00 C ATOM 1362 C TRP A 88 -7.122 -0.374 4.290 1.00 0.00 C ATOM 1363 O TRP A 88 -7.743 -0.967 5.171 1.00 0.00 O ATOM 1364 CB TRP A 88 -9.119 0.917 3.512 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.453 2.102 2.659 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.625 2.329 1.995 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.606 3.221 2.376 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.557 3.522 1.316 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.330 4.089 1.535 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.308 3.576 2.753 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.796 5.286 1.065 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.780 4.764 2.286 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.523 5.608 1.450 1.00 0.00 C ATOM 0 H TRP A 88 -9.160 -1.079 2.048 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.183 0.906 2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.953 0.215 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -9.005 1.243 4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.479 1.668 2.002 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.300 3.920 0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.728 2.933 3.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.366 5.937 0.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.777 5.047 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.082 6.531 1.103 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.807 -0.189 4.331 1.00 0.00 N ATOM 1385 CA ALA A 89 -5.000 -0.681 5.441 1.00 0.00 C ATOM 1386 C ALA A 89 -5.485 -0.106 6.768 1.00 0.00 C ATOM 1387 O ALA A 89 -5.757 -0.847 7.713 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.534 -0.340 5.221 1.00 0.00 C ATOM 0 H ALA A 89 -5.277 0.298 3.608 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.107 -1.765 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.944 -0.714 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.187 -0.803 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.419 0.742 5.150 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.590 1.217 6.832 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.041 1.889 8.045 1.00 0.00 C ATOM 1396 C GLU A 90 -6.672 3.239 7.717 1.00 0.00 C ATOM 1397 O GLU A 90 -6.073 4.089 7.056 1.00 0.00 O ATOM 1398 CB GLU A 90 -4.871 2.083 9.012 1.00 0.00 C ATOM 1399 CG GLU A 90 -3.698 2.835 8.406 1.00 0.00 C ATOM 1400 CD GLU A 90 -2.990 2.039 7.326 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -2.062 1.276 7.663 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -3.366 2.181 6.143 1.00 0.00 O ATOM 0 H GLU A 90 -5.369 1.845 6.059 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.795 1.260 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.223 2.623 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.528 1.107 9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.053 3.776 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.986 3.086 9.193 1.00 0.00 H new ATOM 1409 N PRO A 91 -7.911 3.443 8.187 1.00 0.00 N ATOM 1410 CA PRO A 91 -8.651 4.687 7.957 1.00 0.00 C ATOM 1411 C PRO A 91 -8.061 5.864 8.725 1.00 0.00 C ATOM 1412 O PRO A 91 -7.804 6.923 8.154 1.00 0.00 O ATOM 1413 CB PRO A 91 -10.057 4.364 8.471 1.00 0.00 C ATOM 1414 CG PRO A 91 -9.854 3.282 9.474 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.685 2.474 8.982 1.00 0.00 C ATOM 0 HA PRO A 91 -8.624 4.989 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.524 5.239 8.922 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.709 4.036 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.653 3.698 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.746 2.662 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.098 2.072 9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.008 1.626 8.378 1.00 0.00 H new ATOM 1423 N GLU A 92 -7.847 5.671 10.023 1.00 0.00 N ATOM 1424 CA GLU A 92 -7.287 6.718 10.869 1.00 0.00 C ATOM 1425 C GLU A 92 -6.708 6.129 12.152 1.00 0.00 C ATOM 1426 O GLU A 92 -7.446 5.673 13.026 1.00 0.00 O ATOM 1427 CB GLU A 92 -8.357 7.757 11.208 1.00 0.00 C ATOM 1428 CG GLU A 92 -9.669 7.150 11.674 1.00 0.00 C ATOM 1429 CD GLU A 92 -10.810 8.148 11.665 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -10.652 9.235 12.261 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -11.861 7.844 11.063 1.00 0.00 O ATOM 0 H GLU A 92 -8.053 4.799 10.511 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.482 7.204 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.976 8.418 11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.544 8.374 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.924 6.307 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.544 6.756 12.682 1.00 0.00 H new ATOM 1438 N ILE A 93 -5.384 6.142 12.258 1.00 0.00 N ATOM 1439 CA ILE A 93 -4.706 5.610 13.434 1.00 0.00 C ATOM 1440 C ILE A 93 -4.459 6.704 14.467 1.00 0.00 C ATOM 1441 O ILE A 93 -4.863 7.852 14.280 1.00 0.00 O ATOM 1442 CB ILE A 93 -3.362 4.957 13.062 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -3.410 4.420 11.630 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -3.026 3.842 14.041 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -3.006 5.439 10.588 1.00 0.00 C ATOM 0 H ILE A 93 -4.759 6.515 11.544 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.362 4.852 13.861 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.579 5.713 13.120 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.753 3.554 11.553 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.421 4.073 11.414 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.073 3.390 13.765 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.955 4.252 15.049 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.809 3.084 14.012 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.064 4.989 9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.678 6.296 10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.984 5.768 10.778 1.00 0.00 H new ATOM 1457 N ASP A 94 -3.790 6.341 15.556 1.00 0.00 N ATOM 1458 CA ASP A 94 -3.485 7.292 16.619 1.00 0.00 C ATOM 1459 C ASP A 94 -2.095 7.891 16.430 1.00 0.00 C ATOM 1460 O ASP A 94 -1.368 8.115 17.397 1.00 0.00 O ATOM 1461 CB ASP A 94 -3.579 6.610 17.985 1.00 0.00 C ATOM 1462 CG ASP A 94 -3.946 7.579 19.091 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -4.467 8.670 18.776 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -3.712 7.248 20.272 1.00 0.00 O ATOM 0 H ASP A 94 -3.449 5.395 15.726 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.217 8.098 16.573 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.323 5.815 17.941 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.624 6.140 18.220 1.00 0.00 H new ATOM 1469 N VAL A 95 -1.732 8.146 15.177 1.00 0.00 N ATOM 1470 CA VAL A 95 -0.429 8.719 14.860 1.00 0.00 C ATOM 1471 C VAL A 95 -0.302 10.134 15.411 1.00 0.00 C ATOM 1472 O VAL A 95 0.774 10.550 15.843 1.00 0.00 O ATOM 1473 CB VAL A 95 -0.182 8.747 13.340 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -0.272 7.345 12.758 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -1.171 9.681 12.658 1.00 0.00 C ATOM 0 H VAL A 95 -2.322 7.965 14.365 1.00 0.00 H new ATOM 0 HA VAL A 95 0.320 8.081 15.330 1.00 0.00 H new ATOM 0 HB VAL A 95 0.824 9.125 13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.095 7.385 11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.478 6.708 13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.264 6.936 12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.983 9.689 11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.187 9.335 12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.052 10.689 13.055 1.00 0.00 H new ATOM 1485 N ASP A 96 -1.408 10.871 15.395 1.00 0.00 N ATOM 1486 CA ASP A 96 -1.422 12.241 15.895 1.00 0.00 C ATOM 1487 C ASP A 96 -0.799 12.318 17.285 1.00 0.00 C ATOM 1488 O ASP A 96 0.104 13.119 17.527 1.00 0.00 O ATOM 1489 CB ASP A 96 -2.853 12.778 15.933 1.00 0.00 C ATOM 1490 CG ASP A 96 -2.971 14.054 16.742 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -2.084 14.923 16.612 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -3.951 14.184 17.507 1.00 0.00 O ATOM 0 H ASP A 96 -2.306 10.542 15.041 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.830 12.856 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.195 12.964 14.915 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.511 12.020 16.357 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.288 11.481 18.195 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.781 11.457 19.561 1.00 0.00 C ATOM 1499 C GLU A 97 0.589 10.786 19.621 1.00 0.00 C ATOM 1500 O GLU A 97 1.537 11.336 20.183 1.00 0.00 O ATOM 1501 CB GLU A 97 -1.760 10.724 20.480 1.00 0.00 C ATOM 1502 CG GLU A 97 -1.349 10.738 21.943 1.00 0.00 C ATOM 1503 CD GLU A 97 -1.778 12.005 22.658 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -2.947 12.073 23.092 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -0.945 12.927 22.783 1.00 0.00 O ATOM 0 H GLU A 97 -2.035 10.811 18.010 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.678 12.488 19.901 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.746 11.179 20.384 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.853 9.690 20.147 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.785 9.876 22.447 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.266 10.635 22.013 1.00 0.00 H new ATOM 1512 N ASP A 98 0.684 9.596 19.039 1.00 0.00 N ATOM 1513 CA ASP A 98 1.936 8.849 19.025 1.00 0.00 C ATOM 1514 C ASP A 98 2.053 8.008 17.758 1.00 0.00 C ATOM 1515 O ASP A 98 1.173 7.205 17.450 1.00 0.00 O ATOM 1516 CB ASP A 98 2.033 7.951 20.260 1.00 0.00 C ATOM 1517 CG ASP A 98 2.530 8.698 21.482 1.00 0.00 C ATOM 1518 OD1 ASP A 98 1.707 9.364 22.146 1.00 0.00 O ATOM 1519 OD2 ASP A 98 3.740 8.617 21.775 1.00 0.00 O ATOM 0 H ASP A 98 -0.092 9.128 18.570 1.00 0.00 H new ATOM 0 HA ASP A 98 2.758 9.565 19.041 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.053 7.524 20.473 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.704 7.119 20.049 1.00 0.00 H new ATOM 1524 N VAL A 99 3.146 8.199 17.026 1.00 0.00 N ATOM 1525 CA VAL A 99 3.379 7.458 15.792 1.00 0.00 C ATOM 1526 C VAL A 99 4.669 6.650 15.871 1.00 0.00 C ATOM 1527 O VAL A 99 4.732 5.515 15.402 1.00 0.00 O ATOM 1528 CB VAL A 99 3.450 8.401 14.576 1.00 0.00 C ATOM 1529 CG1 VAL A 99 4.567 9.418 14.753 1.00 0.00 C ATOM 1530 CG2 VAL A 99 3.642 7.604 13.295 1.00 0.00 C ATOM 0 H VAL A 99 3.884 8.861 17.266 1.00 0.00 H new ATOM 0 HA VAL A 99 2.536 6.779 15.667 1.00 0.00 H new ATOM 0 HB VAL A 99 2.507 8.942 14.502 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.602 10.075 13.884 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.381 10.010 15.649 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.520 8.898 14.853 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.690 8.286 12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.570 7.035 13.356 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.804 6.919 13.163 1.00 0.00 H new ATOM 1540 N MET A 100 5.697 7.244 16.469 1.00 0.00 N ATOM 1541 CA MET A 100 6.987 6.578 16.611 1.00 0.00 C ATOM 1542 C MET A 100 7.113 5.925 17.983 1.00 0.00 C ATOM 1543 O MET A 100 6.312 6.187 18.881 1.00 0.00 O ATOM 1544 CB MET A 100 8.126 7.578 16.402 1.00 0.00 C ATOM 1545 CG MET A 100 8.073 8.289 15.060 1.00 0.00 C ATOM 1546 SD MET A 100 9.684 8.905 14.536 1.00 0.00 S ATOM 1547 CE MET A 100 10.485 7.381 14.042 1.00 0.00 C ATOM 0 H MET A 100 5.662 8.184 16.863 1.00 0.00 H new ATOM 0 HA MET A 100 7.052 5.800 15.851 1.00 0.00 H new ATOM 0 HB2 MET A 100 8.097 8.321 17.199 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.078 7.055 16.489 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.687 7.604 14.305 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.373 9.122 15.122 1.00 0.00 H new ATOM 0 HE1 MET A 100 11.466 7.316 14.513 1.00 0.00 H new ATOM 0 HE2 MET A 100 9.876 6.532 14.353 1.00 0.00 H new ATOM 0 HE3 MET A 100 10.602 7.366 12.958 1.00 0.00 H new ATOM 1557 N GLU A 101 8.122 5.074 18.138 1.00 0.00 N ATOM 1558 CA GLU A 101 8.350 4.382 19.402 1.00 0.00 C ATOM 1559 C GLU A 101 9.575 4.946 20.116 1.00 0.00 C ATOM 1560 O GLU A 101 10.662 4.369 20.059 1.00 0.00 O ATOM 1561 CB GLU A 101 8.531 2.882 19.162 1.00 0.00 C ATOM 1562 CG GLU A 101 8.284 2.034 20.399 1.00 0.00 C ATOM 1563 CD GLU A 101 9.425 2.109 21.395 1.00 0.00 C ATOM 1564 OE1 GLU A 101 9.487 3.101 22.152 1.00 0.00 O ATOM 1565 OE2 GLU A 101 10.256 1.177 21.417 1.00 0.00 O ATOM 0 H GLU A 101 8.794 4.847 17.405 1.00 0.00 H new ATOM 0 HA GLU A 101 7.477 4.538 20.036 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.851 2.564 18.372 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.544 2.700 18.803 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.363 2.362 20.882 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.135 0.996 20.100 1.00 0.00 H new ATOM 1572 N THR A 102 9.392 6.077 20.790 1.00 0.00 N ATOM 1573 CA THR A 102 10.481 6.720 21.514 1.00 0.00 C ATOM 1574 C THR A 102 10.730 6.036 22.853 1.00 0.00 C ATOM 1575 O THR A 102 9.812 5.867 23.656 1.00 0.00 O ATOM 1576 CB THR A 102 10.188 8.213 21.760 1.00 0.00 C ATOM 1577 OG1 THR A 102 9.027 8.355 22.586 1.00 0.00 O ATOM 1578 CG2 THR A 102 9.974 8.945 20.444 1.00 0.00 C ATOM 0 H THR A 102 8.499 6.567 20.849 1.00 0.00 H new ATOM 0 HA THR A 102 11.371 6.630 20.891 1.00 0.00 H new ATOM 0 HB THR A 102 11.048 8.652 22.266 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.992 7.617 23.230 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.769 9.997 20.642 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.871 8.860 19.830 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.129 8.504 19.915 1.00 0.00 H new ATOM 1586 N VAL A 103 11.978 5.644 23.090 1.00 0.00 N ATOM 1587 CA VAL A 103 12.349 4.980 24.333 1.00 0.00 C ATOM 1588 C VAL A 103 13.192 5.894 25.215 1.00 0.00 C ATOM 1589 O VAL A 103 13.183 5.772 26.440 1.00 0.00 O ATOM 1590 CB VAL A 103 13.131 3.681 24.064 1.00 0.00 C ATOM 1591 CG1 VAL A 103 14.457 3.987 23.385 1.00 0.00 C ATOM 1592 CG2 VAL A 103 13.351 2.913 25.359 1.00 0.00 C ATOM 0 H VAL A 103 12.750 5.775 22.436 1.00 0.00 H new ATOM 0 HA VAL A 103 11.421 4.736 24.850 1.00 0.00 H new ATOM 0 HB VAL A 103 12.542 3.056 23.393 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.996 3.057 23.203 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.272 4.491 22.436 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.055 4.632 24.028 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.905 1.998 25.150 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.919 3.530 26.056 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.387 2.660 25.800 1.00 0.00 H new ATOM 1602 N SER A 104 13.918 6.810 24.584 1.00 0.00 N ATOM 1603 CA SER A 104 14.770 7.744 25.311 1.00 0.00 C ATOM 1604 C SER A 104 15.341 8.803 24.372 1.00 0.00 C ATOM 1605 O SER A 104 15.254 8.678 23.151 1.00 0.00 O ATOM 1606 CB SER A 104 15.909 6.995 26.006 1.00 0.00 C ATOM 1607 OG SER A 104 16.718 6.311 25.065 1.00 0.00 O ATOM 0 H SER A 104 13.934 6.926 23.571 1.00 0.00 H new ATOM 0 HA SER A 104 14.160 8.242 26.064 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.520 7.699 26.572 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.497 6.283 26.722 1.00 0.00 H new ATOM 0 HG SER A 104 17.439 5.842 25.534 1.00 0.00 H new ATOM 1613 N GLY A 105 15.927 9.846 24.952 1.00 0.00 N ATOM 1614 CA GLY A 105 16.505 10.911 24.154 1.00 0.00 C ATOM 1615 C GLY A 105 17.667 11.592 24.849 1.00 0.00 C ATOM 1616 O GLY A 105 17.595 12.763 25.222 1.00 0.00 O ATOM 0 H GLY A 105 16.012 9.972 25.961 1.00 0.00 H new ATOM 0 HA2 GLY A 105 16.844 10.504 23.201 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.736 11.650 23.929 1.00 0.00 H new ATOM 1620 N PRO A 106 18.768 10.849 25.034 1.00 0.00 N ATOM 1621 CA PRO A 106 19.972 11.368 25.691 1.00 0.00 C ATOM 1622 C PRO A 106 20.695 12.406 24.840 1.00 0.00 C ATOM 1623 O PRO A 106 20.406 12.561 23.654 1.00 0.00 O ATOM 1624 CB PRO A 106 20.843 10.122 25.870 1.00 0.00 C ATOM 1625 CG PRO A 106 20.394 9.189 24.799 1.00 0.00 C ATOM 1626 CD PRO A 106 18.924 9.447 24.614 1.00 0.00 C ATOM 0 HA PRO A 106 19.739 11.879 26.625 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.902 10.361 25.769 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.709 9.684 26.859 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.941 9.366 23.873 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.576 8.152 25.083 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.618 9.301 23.578 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.318 8.775 25.223 1.00 0.00 H new ATOM 1634 N SER A 107 21.638 13.114 25.454 1.00 0.00 N ATOM 1635 CA SER A 107 22.401 14.141 24.753 1.00 0.00 C ATOM 1636 C SER A 107 23.882 14.054 25.108 1.00 0.00 C ATOM 1637 O SER A 107 24.242 13.746 26.244 1.00 0.00 O ATOM 1638 CB SER A 107 21.863 15.531 25.097 1.00 0.00 C ATOM 1639 OG SER A 107 22.270 16.488 24.135 1.00 0.00 O ATOM 0 H SER A 107 21.892 12.995 26.435 1.00 0.00 H new ATOM 0 HA SER A 107 22.291 13.972 23.682 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.775 15.501 25.147 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.219 15.828 26.083 1.00 0.00 H new ATOM 0 HG SER A 107 21.912 17.368 24.377 1.00 0.00 H new ATOM 1645 N SER A 108 24.736 14.328 24.127 1.00 0.00 N ATOM 1646 CA SER A 108 26.179 14.277 24.334 1.00 0.00 C ATOM 1647 C SER A 108 26.634 15.397 25.265 1.00 0.00 C ATOM 1648 O SER A 108 27.725 15.344 25.830 1.00 0.00 O ATOM 1649 CB SER A 108 26.911 14.383 22.994 1.00 0.00 C ATOM 1650 OG SER A 108 26.985 15.730 22.559 1.00 0.00 O ATOM 0 H SER A 108 24.454 14.587 23.182 1.00 0.00 H new ATOM 0 HA SER A 108 26.422 13.321 24.798 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.916 13.973 23.092 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.394 13.783 22.245 1.00 0.00 H new ATOM 0 HG SER A 108 27.458 15.771 21.702 1.00 0.00 H new ATOM 1656 N GLY A 109 25.788 16.411 25.419 1.00 0.00 N ATOM 1657 CA GLY A 109 26.120 17.530 26.281 1.00 0.00 C ATOM 1658 C GLY A 109 26.918 18.599 25.563 1.00 0.00 C ATOM 1659 O GLY A 109 27.654 18.306 24.621 1.00 0.00 O ATOM 0 H GLY A 109 24.879 16.477 24.962 1.00 0.00 H new ATOM 0 HA2 GLY A 109 25.202 17.968 26.672 1.00 0.00 H new ATOM 0 HA3 GLY A 109 26.690 17.169 27.137 1.00 0.00 H new TER 1663 GLY A 109