USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 15 HIS : no HD1:sc= 0.144 X(o=0.27,f=-0.021) USER MOD Set 1.2: A 108 ASN : amide:sc= 0.124 X(o=0.27,f=-0.021) USER MOD Set 2.1: A 25 THR OG1 : rot -64:sc= 0.42! USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 1 SER N :NH3+ -177:sc= 0 (180deg=-0.00833) USER MOD Single : A 1 SER OG : rot -69:sc= 0.685 USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.31) USER MOD Single : A 4 ASN : amide:sc= -0.0513 K(o=-0.051,f=-0.67) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 62:sc= -0.202 USER MOD Single : A 20 HIS : no HE2:sc= 0.0953 K(o=0.095,f=-1.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.17 (180deg=-1.44) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 32 SER OG : rot 51:sc= -0.347 USER MOD Single : A 98 CYS SG : rot -68:sc= 0.974 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.73) USER MOD Single : A 115 SER OG : rot -56:sc= 1.12 USER MOD Single : A 117 SER OG : rot -58:sc= 0.17 USER MOD Single : A 118 MET CE :methyl 158:sc= -0.276 (180deg=-1.03) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.268 X(o=0.27,f=-0.012) USER MOD Single : A 125 SER OG : rot -27:sc= 1.22 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= -0.0224 K(o=-0.022,f=-0.97) USER MOD Single : A 149 THR OG1 : rot -34:sc= 0.85 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.267 13.921 -3.913 1.00 0.00 N ATOM 2 CA SER A 1 -3.128 12.444 -3.828 1.00 0.00 C ATOM 3 C SER A 1 -1.733 11.995 -4.251 1.00 0.00 C ATOM 4 O SER A 1 -1.532 11.532 -5.373 1.00 0.00 O ATOM 5 CB SER A 1 -4.185 11.802 -4.730 1.00 0.00 C ATOM 6 OG SER A 1 -3.872 10.447 -4.997 1.00 0.00 O ATOM 0 H1 SER A 1 -4.208 14.201 -3.571 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.537 14.373 -3.326 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.153 14.224 -4.901 1.00 0.00 H new ATOM 0 HA SER A 1 -3.274 12.130 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.163 11.865 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.252 12.355 -5.667 1.00 0.00 H new ATOM 0 HG SER A 1 -3.081 10.402 -5.574 1.00 0.00 H new ATOM 14 N ILE A 2 -0.772 12.133 -3.342 1.00 0.00 N ATOM 15 CA ILE A 2 0.605 11.741 -3.623 1.00 0.00 C ATOM 16 C ILE A 2 0.808 10.249 -3.392 1.00 0.00 C ATOM 17 O ILE A 2 1.580 9.601 -4.098 1.00 0.00 O ATOM 18 CB ILE A 2 1.603 12.524 -2.749 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.291 14.021 -2.793 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.030 12.261 -3.211 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.116 14.837 -1.823 1.00 0.00 C ATOM 0 H ILE A 2 -0.921 12.512 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 2 0.792 11.974 -4.671 1.00 0.00 H new ATOM 0 HB ILE A 2 1.505 12.183 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.462 14.390 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.234 14.171 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.724 12.821 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.248 11.196 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.141 12.578 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.843 15.889 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.927 14.494 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.174 14.717 -2.055 1.00 0.00 H new ATOM 33 N LYS A 3 0.111 9.708 -2.399 1.00 0.00 N ATOM 34 CA LYS A 3 0.216 8.289 -2.076 1.00 0.00 C ATOM 35 C LYS A 3 -1.101 7.755 -1.520 1.00 0.00 C ATOM 36 O LYS A 3 -1.553 8.173 -0.454 1.00 0.00 O ATOM 37 CB LYS A 3 1.340 8.057 -1.065 1.00 0.00 C ATOM 38 CG LYS A 3 1.612 6.588 -0.784 1.00 0.00 C ATOM 39 CD LYS A 3 2.796 6.075 -1.588 1.00 0.00 C ATOM 40 CE LYS A 3 3.135 4.638 -1.228 1.00 0.00 C ATOM 41 NZ LYS A 3 3.690 3.890 -2.388 1.00 0.00 N ATOM 0 H LYS A 3 -0.532 10.230 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 3 0.445 7.750 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.253 8.522 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.085 8.556 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.806 6.450 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.726 6.001 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.570 6.141 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.663 6.711 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.857 4.629 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.239 4.134 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.255 3.087 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.910 3.538 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.294 4.522 -2.952 1.00 0.00 H new ATOM 55 N ASN A 4 -1.714 6.829 -2.253 1.00 0.00 N ATOM 56 CA ASN A 4 -2.979 6.237 -1.833 1.00 0.00 C ATOM 57 C ASN A 4 -2.974 4.728 -2.062 1.00 0.00 C ATOM 58 O ASN A 4 -2.512 4.251 -3.097 1.00 0.00 O ATOM 59 CB ASN A 4 -4.143 6.876 -2.592 1.00 0.00 C ATOM 60 CG ASN A 4 -4.052 6.651 -4.090 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.128 7.130 -4.746 1.00 0.00 O ATOM 62 ND2 ASN A 4 -5.015 5.917 -4.638 1.00 0.00 N ATOM 0 H ASN A 4 -1.355 6.474 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.104 6.425 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.083 6.466 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.161 7.947 -2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.007 5.731 -5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.762 5.539 -4.056 1.00 0.00 H new ATOM 69 N GLY A 5 -3.492 3.988 -1.088 1.00 0.00 N ATOM 70 CA GLY A 5 -3.537 2.541 -1.204 1.00 0.00 C ATOM 71 C GLY A 5 -4.372 1.897 -0.116 1.00 0.00 C ATOM 72 O GLY A 5 -5.101 2.579 0.605 1.00 0.00 O ATOM 0 H GLY A 5 -3.881 4.362 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.944 2.270 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.523 2.145 -1.161 1.00 0.00 H new ATOM 76 N ILE A 6 -4.267 0.577 0.004 1.00 0.00 N ATOM 77 CA ILE A 6 -5.018 -0.160 1.012 1.00 0.00 C ATOM 78 C ILE A 6 -4.189 -0.359 2.276 1.00 0.00 C ATOM 79 O ILE A 6 -3.387 -1.289 2.364 1.00 0.00 O ATOM 80 CB ILE A 6 -5.467 -1.537 0.486 1.00 0.00 C ATOM 81 CG1 ILE A 6 -6.098 -1.399 -0.901 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.444 -2.183 1.457 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.356 -0.557 -0.911 1.00 0.00 C ATOM 0 H ILE A 6 -3.669 -0.003 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.900 0.436 1.247 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.590 -2.179 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.369 -0.957 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.332 -2.392 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.752 -3.155 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.962 -2.313 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.320 -1.544 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.749 -0.502 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.102 -1.009 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.124 0.448 -0.557 1.00 0.00 H new ATOM 95 N LEU A 7 -4.387 0.520 3.253 1.00 0.00 N ATOM 96 CA LEU A 7 -3.656 0.440 4.513 1.00 0.00 C ATOM 97 C LEU A 7 -4.526 -0.173 5.608 1.00 0.00 C ATOM 98 O LEU A 7 -5.753 -0.101 5.551 1.00 0.00 O ATOM 99 CB LEU A 7 -3.174 1.830 4.937 1.00 0.00 C ATOM 100 CG LEU A 7 -1.671 2.071 4.781 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.888 1.218 5.767 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.229 1.780 3.354 1.00 0.00 C ATOM 0 H LEU A 7 -5.047 1.296 3.197 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.789 -0.204 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.709 2.577 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.445 1.989 5.981 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.467 3.120 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.179 1.403 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.183 1.474 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.098 0.164 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.157 1.957 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.448 0.740 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.765 2.434 2.666 1.00 0.00 H new ATOM 114 N TYR A 8 -3.881 -0.779 6.600 1.00 0.00 N ATOM 115 CA TYR A 8 -4.596 -1.407 7.707 1.00 0.00 C ATOM 116 C TYR A 8 -4.401 -0.619 8.998 1.00 0.00 C ATOM 117 O TYR A 8 -3.277 -0.270 9.360 1.00 0.00 O ATOM 118 CB TYR A 8 -4.117 -2.847 7.897 1.00 0.00 C ATOM 119 CG TYR A 8 -4.154 -3.671 6.630 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.318 -3.374 5.561 1.00 0.00 C ATOM 121 CD2 TYR A 8 -5.026 -4.744 6.502 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.348 -4.123 4.402 1.00 0.00 C ATOM 123 CE2 TYR A 8 -5.062 -5.500 5.344 1.00 0.00 C ATOM 124 CZ TYR A 8 -4.222 -5.185 4.298 1.00 0.00 C ATOM 125 OH TYR A 8 -4.256 -5.935 3.145 1.00 0.00 O ATOM 0 H TYR A 8 -2.865 -0.849 6.660 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.659 -1.413 7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.097 -2.834 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.737 -3.330 8.653 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.633 -2.543 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.687 -4.992 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.690 -3.879 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.745 -6.333 5.260 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.925 -6.645 3.236 1.00 0.00 H new ATOM 135 N LEU A 9 -5.502 -0.341 9.689 1.00 0.00 N ATOM 136 CA LEU A 9 -5.450 0.409 10.941 1.00 0.00 C ATOM 137 C LEU A 9 -6.123 -0.354 12.084 1.00 0.00 C ATOM 138 O LEU A 9 -6.141 0.114 13.223 1.00 0.00 O ATOM 139 CB LEU A 9 -6.118 1.773 10.766 1.00 0.00 C ATOM 140 CG LEU A 9 -5.208 2.875 10.220 1.00 0.00 C ATOM 141 CD1 LEU A 9 -5.248 2.894 8.700 1.00 0.00 C ATOM 142 CD2 LEU A 9 -5.615 4.228 10.783 1.00 0.00 C ATOM 0 H LEU A 9 -6.440 -0.623 9.405 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.400 0.547 11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.969 1.660 10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.513 2.093 11.730 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.185 2.666 10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.595 3.684 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.909 1.932 8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.269 3.080 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.957 5.001 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.645 4.446 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.535 4.209 11.870 1.00 0.00 H new ATOM 154 N GLU A 10 -6.678 -1.527 11.778 1.00 0.00 N ATOM 155 CA GLU A 10 -7.353 -2.351 12.780 1.00 0.00 C ATOM 156 C GLU A 10 -8.304 -1.519 13.639 1.00 0.00 C ATOM 157 O GLU A 10 -8.575 -0.357 13.339 1.00 0.00 O ATOM 158 CB GLU A 10 -6.326 -3.069 13.668 1.00 0.00 C ATOM 159 CG GLU A 10 -5.600 -2.158 14.648 1.00 0.00 C ATOM 160 CD GLU A 10 -5.227 -2.870 15.935 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.599 -3.946 15.858 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.562 -2.349 17.020 1.00 0.00 O ATOM 0 H GLU A 10 -6.673 -1.929 10.840 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.945 -3.097 12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.833 -3.855 14.228 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.589 -3.557 13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.697 -1.769 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.233 -1.302 14.880 1.00 0.00 H new ATOM 169 N ASP A 11 -8.806 -2.127 14.710 1.00 0.00 N ATOM 170 CA ASP A 11 -9.724 -1.450 15.616 1.00 0.00 C ATOM 171 C ASP A 11 -9.583 -2.003 17.034 1.00 0.00 C ATOM 172 O ASP A 11 -9.312 -3.187 17.219 1.00 0.00 O ATOM 173 CB ASP A 11 -11.168 -1.611 15.132 1.00 0.00 C ATOM 174 CG ASP A 11 -11.937 -0.305 15.163 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.343 0.743 14.834 1.00 0.00 O ATOM 176 OD2 ASP A 11 -13.134 -0.330 15.519 1.00 0.00 O ATOM 0 H ASP A 11 -8.591 -3.089 14.971 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.473 -0.389 15.628 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.166 -2.004 14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.678 -2.345 15.756 1.00 0.00 H new ATOM 181 N PRO A 12 -9.763 -1.149 18.055 1.00 0.00 N ATOM 182 CA PRO A 12 -9.649 -1.564 19.457 1.00 0.00 C ATOM 183 C PRO A 12 -10.855 -2.371 19.929 1.00 0.00 C ATOM 184 O PRO A 12 -10.791 -3.056 20.950 1.00 0.00 O ATOM 185 CB PRO A 12 -9.569 -0.235 20.207 1.00 0.00 C ATOM 186 CG PRO A 12 -10.315 0.727 19.348 1.00 0.00 C ATOM 187 CD PRO A 12 -10.086 0.286 17.927 1.00 0.00 C ATOM 0 HA PRO A 12 -8.793 -2.219 19.621 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.017 -0.311 21.198 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.535 0.079 20.348 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.378 0.722 19.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.957 1.745 19.502 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.971 0.444 17.311 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.271 0.840 17.462 1.00 0.00 H new ATOM 195 N VAL A 13 -11.954 -2.287 19.185 1.00 0.00 N ATOM 196 CA VAL A 13 -13.169 -3.012 19.536 1.00 0.00 C ATOM 197 C VAL A 13 -13.025 -4.500 19.244 1.00 0.00 C ATOM 198 O VAL A 13 -13.447 -5.344 20.035 1.00 0.00 O ATOM 199 CB VAL A 13 -14.389 -2.466 18.771 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.672 -3.092 19.295 1.00 0.00 C ATOM 201 CG2 VAL A 13 -14.448 -0.949 18.872 1.00 0.00 C ATOM 0 H VAL A 13 -12.027 -1.725 18.337 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.325 -2.868 20.605 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.284 -2.733 17.720 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.523 -2.694 18.742 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.629 -4.173 19.165 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.785 -2.858 20.354 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.316 -0.581 18.325 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.528 -0.657 19.919 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.542 -0.520 18.444 1.00 0.00 H new ATOM 211 N ASN A 14 -12.423 -4.813 18.103 1.00 0.00 N ATOM 212 CA ASN A 14 -12.217 -6.200 17.700 1.00 0.00 C ATOM 213 C ASN A 14 -10.751 -6.600 17.853 1.00 0.00 C ATOM 214 O ASN A 14 -10.431 -7.782 17.979 1.00 0.00 O ATOM 215 CB ASN A 14 -12.665 -6.404 16.251 1.00 0.00 C ATOM 216 CG ASN A 14 -14.082 -5.922 16.011 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.298 -4.834 15.478 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.057 -6.732 16.406 1.00 0.00 N ATOM 0 H ASN A 14 -12.068 -4.125 17.439 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.818 -6.834 18.352 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.985 -5.872 15.585 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.596 -7.462 15.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.031 -6.461 16.272 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.832 -7.625 16.844 1.00 0.00 H new ATOM 225 N HIS A 15 -9.865 -5.607 17.838 1.00 0.00 N ATOM 226 CA HIS A 15 -8.433 -5.856 17.975 1.00 0.00 C ATOM 227 C HIS A 15 -7.903 -6.654 16.788 1.00 0.00 C ATOM 228 O HIS A 15 -6.984 -7.461 16.931 1.00 0.00 O ATOM 229 CB HIS A 15 -8.144 -6.603 19.279 1.00 0.00 C ATOM 230 CG HIS A 15 -6.796 -6.296 19.856 1.00 0.00 C ATOM 231 ND1 HIS A 15 -5.833 -7.260 20.075 1.00 0.00 N ATOM 232 CD2 HIS A 15 -6.251 -5.125 20.260 1.00 0.00 C ATOM 233 CE1 HIS A 15 -4.757 -6.693 20.592 1.00 0.00 C ATOM 234 NE2 HIS A 15 -4.984 -5.400 20.712 1.00 0.00 N ATOM 0 H HIS A 15 -10.114 -4.623 17.732 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.924 -4.893 17.998 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.910 -6.350 20.011 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.218 -7.675 19.098 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.725 -4.155 20.232 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.846 -7.203 20.869 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.325 -4.715 21.081 1.00 0.00 H new ATOM 243 N GLU A 16 -8.486 -6.422 15.617 1.00 0.00 N ATOM 244 CA GLU A 16 -8.071 -7.119 14.403 1.00 0.00 C ATOM 245 C GLU A 16 -7.729 -6.127 13.298 1.00 0.00 C ATOM 246 O GLU A 16 -8.366 -5.081 13.170 1.00 0.00 O ATOM 247 CB GLU A 16 -9.176 -8.065 13.933 1.00 0.00 C ATOM 248 CG GLU A 16 -8.808 -8.859 12.690 1.00 0.00 C ATOM 249 CD GLU A 16 -9.955 -9.710 12.182 1.00 0.00 C ATOM 250 OE1 GLU A 16 -11.087 -9.190 12.092 1.00 0.00 O ATOM 251 OE2 GLU A 16 -9.721 -10.898 11.874 1.00 0.00 O ATOM 0 H GLU A 16 -9.247 -5.757 15.482 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.178 -7.700 14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.417 -8.758 14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.077 -7.486 13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.494 -8.172 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.955 -9.500 12.912 1.00 0.00 H new ATOM 258 N TRP A 17 -6.719 -6.460 12.501 1.00 0.00 N ATOM 259 CA TRP A 17 -6.293 -5.594 11.407 1.00 0.00 C ATOM 260 C TRP A 17 -7.041 -5.929 10.120 1.00 0.00 C ATOM 261 O TRP A 17 -7.029 -7.071 9.662 1.00 0.00 O ATOM 262 CB TRP A 17 -4.786 -5.724 11.179 1.00 0.00 C ATOM 263 CG TRP A 17 -3.976 -5.526 12.425 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.765 -6.439 13.418 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.267 -4.342 12.810 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.971 -5.895 14.396 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.653 -4.610 14.048 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.094 -3.083 12.230 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.877 -3.665 14.715 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.323 -2.145 12.893 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.722 -2.441 14.124 1.00 0.00 C ATOM 0 H TRP A 17 -6.181 -7.322 12.592 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.525 -4.566 11.685 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.572 -6.711 10.768 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.475 -4.994 10.432 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.164 -7.442 13.432 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.667 -6.371 15.245 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.554 -2.846 11.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.414 -3.890 15.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.182 -1.168 12.455 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.125 -1.688 14.616 1.00 0.00 H new ATOM 282 N TYR A 18 -7.684 -4.921 9.540 1.00 0.00 N ATOM 283 CA TYR A 18 -8.434 -5.102 8.302 1.00 0.00 C ATOM 284 C TYR A 18 -8.005 -4.074 7.258 1.00 0.00 C ATOM 285 O TYR A 18 -7.636 -2.950 7.599 1.00 0.00 O ATOM 286 CB TYR A 18 -9.937 -4.985 8.564 1.00 0.00 C ATOM 287 CG TYR A 18 -10.303 -3.868 9.516 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.039 -3.976 10.875 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.913 -2.708 9.056 1.00 0.00 C ATOM 290 CE1 TYR A 18 -10.372 -2.959 11.749 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.248 -1.686 9.924 1.00 0.00 C ATOM 292 CZ TYR A 18 -10.977 -1.817 11.269 1.00 0.00 C ATOM 293 OH TYR A 18 -11.309 -0.802 12.137 1.00 0.00 O ATOM 0 H TYR A 18 -7.701 -3.970 9.908 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.220 -6.100 7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.451 -4.825 7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.301 -5.929 8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.566 -4.869 11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.129 -2.603 8.003 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.159 -3.058 12.803 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.720 -0.789 9.550 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.497 -0.456 12.562 1.00 0.00 H new ATOM 303 N PRO A 19 -8.042 -4.447 5.968 1.00 0.00 N ATOM 304 CA PRO A 19 -7.651 -3.549 4.877 1.00 0.00 C ATOM 305 C PRO A 19 -8.620 -2.384 4.706 1.00 0.00 C ATOM 306 O PRO A 19 -9.822 -2.584 4.531 1.00 0.00 O ATOM 307 CB PRO A 19 -7.675 -4.452 3.643 1.00 0.00 C ATOM 308 CG PRO A 19 -8.618 -5.550 3.992 1.00 0.00 C ATOM 309 CD PRO A 19 -8.466 -5.769 5.472 1.00 0.00 C ATOM 0 HA PRO A 19 -6.682 -3.085 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.012 -3.907 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.682 -4.840 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.643 -5.279 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.383 -6.458 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.402 -6.089 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.725 -6.538 5.691 1.00 0.00 H new ATOM 317 N HIS A 20 -8.086 -1.168 4.754 1.00 0.00 N ATOM 318 CA HIS A 20 -8.899 0.032 4.602 1.00 0.00 C ATOM 319 C HIS A 20 -8.350 0.917 3.485 1.00 0.00 C ATOM 320 O HIS A 20 -7.220 0.730 3.034 1.00 0.00 O ATOM 321 CB HIS A 20 -8.942 0.812 5.919 1.00 0.00 C ATOM 322 CG HIS A 20 -10.330 1.074 6.417 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.009 0.204 7.243 1.00 0.00 N ATOM 324 CD2 HIS A 20 -11.166 2.118 6.202 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.204 0.700 7.515 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.323 1.860 6.897 1.00 0.00 N ATOM 0 H HIS A 20 -7.092 -0.988 4.897 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.912 -0.270 4.337 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.392 0.257 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.428 1.764 5.785 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -10.646 -0.684 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.962 2.990 5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.955 0.235 8.137 1.00 0.00 H new ATOM 335 N TYR A 21 -9.155 1.877 3.042 1.00 0.00 N ATOM 336 CA TYR A 21 -8.744 2.784 1.976 1.00 0.00 C ATOM 337 C TYR A 21 -8.258 4.112 2.549 1.00 0.00 C ATOM 338 O TYR A 21 -9.046 4.900 3.071 1.00 0.00 O ATOM 339 CB TYR A 21 -9.901 3.025 1.007 1.00 0.00 C ATOM 340 CG TYR A 21 -9.469 3.160 -0.435 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.468 4.052 -0.800 1.00 0.00 C ATOM 342 CD2 TYR A 21 -10.061 2.396 -1.434 1.00 0.00 C ATOM 343 CE1 TYR A 21 -8.070 4.180 -2.117 1.00 0.00 C ATOM 344 CE2 TYR A 21 -9.669 2.517 -2.753 1.00 0.00 C ATOM 345 CZ TYR A 21 -8.673 3.410 -3.089 1.00 0.00 C ATOM 346 OH TYR A 21 -8.280 3.533 -4.402 1.00 0.00 O ATOM 0 H TYR A 21 -10.094 2.047 3.403 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.920 2.319 1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.609 2.201 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.430 3.930 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.993 4.656 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.841 1.696 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.291 4.879 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.140 1.916 -3.517 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.803 2.919 -4.959 1.00 0.00 H new ATOM 356 N PHE A 22 -6.955 4.352 2.448 1.00 0.00 N ATOM 357 CA PHE A 22 -6.363 5.585 2.955 1.00 0.00 C ATOM 358 C PHE A 22 -5.619 6.325 1.848 1.00 0.00 C ATOM 359 O PHE A 22 -4.828 5.732 1.115 1.00 0.00 O ATOM 360 CB PHE A 22 -5.405 5.276 4.108 1.00 0.00 C ATOM 361 CG PHE A 22 -6.088 5.143 5.441 1.00 0.00 C ATOM 362 CD1 PHE A 22 -7.094 4.208 5.629 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.722 5.950 6.504 1.00 0.00 C ATOM 364 CE1 PHE A 22 -7.722 4.083 6.853 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.346 5.830 7.731 1.00 0.00 C ATOM 366 CZ PHE A 22 -7.347 4.895 7.907 1.00 0.00 C ATOM 0 H PHE A 22 -6.289 3.709 2.020 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.168 6.224 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.873 4.351 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.658 6.067 4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.390 3.570 4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.939 6.682 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.505 3.352 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.051 6.467 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.835 4.798 8.865 1.00 0.00 H new ATOM 376 N VAL A 23 -5.875 7.625 1.734 1.00 0.00 N ATOM 377 CA VAL A 23 -5.225 8.443 0.718 1.00 0.00 C ATOM 378 C VAL A 23 -4.444 9.586 1.357 1.00 0.00 C ATOM 379 O VAL A 23 -4.941 10.265 2.256 1.00 0.00 O ATOM 380 CB VAL A 23 -6.249 9.024 -0.276 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.544 9.747 -1.415 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.155 7.923 -0.810 1.00 0.00 C ATOM 0 H VAL A 23 -6.527 8.133 2.332 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.537 7.793 0.177 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.868 9.750 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.286 10.149 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.943 10.562 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.897 9.048 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.872 8.350 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.553 7.172 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.690 7.458 0.018 1.00 0.00 H new ATOM 392 N LEU A 24 -3.218 9.792 0.890 1.00 0.00 N ATOM 393 CA LEU A 24 -2.366 10.849 1.419 1.00 0.00 C ATOM 394 C LEU A 24 -2.173 11.964 0.396 1.00 0.00 C ATOM 395 O LEU A 24 -1.458 11.795 -0.592 1.00 0.00 O ATOM 396 CB LEU A 24 -1.007 10.279 1.830 1.00 0.00 C ATOM 397 CG LEU A 24 -0.035 11.293 2.433 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.449 11.652 3.850 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.385 10.746 2.411 1.00 0.00 C ATOM 0 H LEU A 24 -2.792 9.240 0.145 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.859 11.270 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.169 9.480 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.540 9.827 0.955 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.063 12.200 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.255 12.375 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.449 12.085 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.450 10.754 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.064 11.480 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.429 9.824 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.680 10.541 1.382 1.00 0.00 H new ATOM 411 N THR A 25 -2.810 13.104 0.642 1.00 0.00 N ATOM 412 CA THR A 25 -2.703 14.248 -0.255 1.00 0.00 C ATOM 413 C THR A 25 -1.720 15.276 0.294 1.00 0.00 C ATOM 414 O THR A 25 -1.628 15.482 1.506 1.00 0.00 O ATOM 415 CB THR A 25 -4.071 14.896 -0.470 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.463 15.638 0.672 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.168 13.896 -0.768 1.00 0.00 C ATOM 0 H THR A 25 -3.406 13.260 1.455 1.00 0.00 H new ATOM 0 HA THR A 25 -2.331 13.888 -1.214 1.00 0.00 H new ATOM 0 HB THR A 25 -3.948 15.545 -1.337 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.583 15.030 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.112 14.423 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.921 13.344 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.262 13.200 0.066 1.00 0.00 H new ATOM 425 N SER A 26 -0.985 15.917 -0.606 1.00 0.00 N ATOM 426 CA SER A 26 0.004 16.922 -0.223 1.00 0.00 C ATOM 427 C SER A 26 -0.594 17.986 0.698 1.00 0.00 C ATOM 428 O SER A 26 0.134 18.674 1.414 1.00 0.00 O ATOM 429 CB SER A 26 0.590 17.585 -1.469 1.00 0.00 C ATOM 430 OG SER A 26 -0.254 18.620 -1.944 1.00 0.00 O ATOM 0 H SER A 26 -1.054 15.759 -1.611 1.00 0.00 H new ATOM 0 HA SER A 26 0.795 16.411 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.575 17.992 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.729 16.838 -2.250 1.00 0.00 H new ATOM 0 HG SER A 26 0.145 19.028 -2.740 1.00 0.00 H new ATOM 436 N SER A 27 -1.915 18.133 0.669 1.00 0.00 N ATOM 437 CA SER A 27 -2.582 19.130 1.498 1.00 0.00 C ATOM 438 C SER A 27 -3.212 18.506 2.742 1.00 0.00 C ATOM 439 O SER A 27 -3.364 19.173 3.764 1.00 0.00 O ATOM 440 CB SER A 27 -3.653 19.862 0.688 1.00 0.00 C ATOM 441 OG SER A 27 -4.468 18.948 -0.024 1.00 0.00 O ATOM 0 H SER A 27 -2.541 17.579 0.085 1.00 0.00 H new ATOM 0 HA SER A 27 -1.823 19.840 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.272 20.462 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.178 20.551 -0.011 1.00 0.00 H new ATOM 0 HG SER A 27 -5.146 19.441 -0.532 1.00 0.00 H new ATOM 447 N LYS A 28 -3.583 17.230 2.653 1.00 0.00 N ATOM 448 CA LYS A 28 -4.206 16.539 3.782 1.00 0.00 C ATOM 449 C LYS A 28 -4.141 15.022 3.610 1.00 0.00 C ATOM 450 O LYS A 28 -3.544 14.519 2.660 1.00 0.00 O ATOM 451 CB LYS A 28 -5.664 16.982 3.929 1.00 0.00 C ATOM 452 CG LYS A 28 -5.825 18.381 4.499 1.00 0.00 C ATOM 453 CD LYS A 28 -7.123 18.522 5.278 1.00 0.00 C ATOM 454 CE LYS A 28 -8.195 19.214 4.450 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.296 18.642 3.078 1.00 0.00 N ATOM 0 H LYS A 28 -3.465 16.657 1.818 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.653 16.803 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.147 16.940 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.186 16.275 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.982 18.608 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.806 19.109 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.476 17.536 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.942 19.091 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.158 19.122 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.971 20.279 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.246 18.824 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.584 19.086 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.129 17.616 3.116 1.00 0.00 H new ATOM 469 N ILE A 29 -4.763 14.302 4.537 1.00 0.00 N ATOM 470 CA ILE A 29 -4.786 12.844 4.492 1.00 0.00 C ATOM 471 C ILE A 29 -6.212 12.324 4.626 1.00 0.00 C ATOM 472 O ILE A 29 -6.868 12.542 5.644 1.00 0.00 O ATOM 473 CB ILE A 29 -3.923 12.226 5.612 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.685 13.087 5.875 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.522 10.804 5.243 1.00 0.00 C ATOM 476 CD1 ILE A 29 -1.775 12.530 6.948 1.00 0.00 C ATOM 0 H ILE A 29 -5.260 14.706 5.331 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.374 12.550 3.527 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.513 12.192 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.120 13.189 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.004 14.088 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.913 10.379 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.417 10.197 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.948 10.817 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.920 13.193 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.323 12.454 7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.426 11.541 6.651 1.00 0.00 H new ATOM 488 N TYR A 30 -6.693 11.643 3.590 1.00 0.00 N ATOM 489 CA TYR A 30 -8.047 11.102 3.596 1.00 0.00 C ATOM 490 C TYR A 30 -8.075 9.695 4.184 1.00 0.00 C ATOM 491 O TYR A 30 -7.197 8.878 3.908 1.00 0.00 O ATOM 492 CB TYR A 30 -8.620 11.090 2.179 1.00 0.00 C ATOM 493 CG TYR A 30 -9.308 12.378 1.793 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.614 13.582 1.775 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.654 12.393 1.447 1.00 0.00 C ATOM 496 CE1 TYR A 30 -9.241 14.762 1.422 1.00 0.00 C ATOM 497 CE2 TYR A 30 -11.287 13.569 1.094 1.00 0.00 C ATOM 498 CZ TYR A 30 -10.577 14.750 1.084 1.00 0.00 C ATOM 499 OH TYR A 30 -11.204 15.923 0.732 1.00 0.00 O ATOM 0 H TYR A 30 -6.166 11.453 2.738 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.663 11.746 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.814 10.893 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.330 10.268 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.567 13.596 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.214 11.470 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.687 15.689 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.333 13.563 0.827 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.144 15.741 0.521 1.00 0.00 H new ATOM 509 N TYR A 31 -9.092 9.422 4.994 1.00 0.00 N ATOM 510 CA TYR A 31 -9.244 8.116 5.623 1.00 0.00 C ATOM 511 C TYR A 31 -10.670 7.918 6.123 1.00 0.00 C ATOM 512 O TYR A 31 -11.057 8.457 7.163 1.00 0.00 O ATOM 513 CB TYR A 31 -8.256 7.964 6.782 1.00 0.00 C ATOM 514 CG TYR A 31 -8.300 9.108 7.769 1.00 0.00 C ATOM 515 CD1 TYR A 31 -7.810 10.362 7.430 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.829 8.932 9.041 1.00 0.00 C ATOM 517 CE1 TYR A 31 -7.847 11.410 8.330 1.00 0.00 C ATOM 518 CE2 TYR A 31 -8.868 9.976 9.948 1.00 0.00 C ATOM 519 CZ TYR A 31 -8.376 11.211 9.586 1.00 0.00 C ATOM 520 OH TYR A 31 -8.414 12.250 10.487 1.00 0.00 O ATOM 0 H TYR A 31 -9.825 10.090 5.231 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.031 7.353 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.467 7.033 7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.246 7.881 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.393 10.521 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.216 7.965 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.463 12.380 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.282 9.824 10.934 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.819 11.942 11.325 1.00 0.00 H new ATOM 530 N SER A 32 -11.449 7.142 5.374 1.00 0.00 N ATOM 531 CA SER A 32 -12.837 6.866 5.733 1.00 0.00 C ATOM 532 C SER A 32 -13.502 5.987 4.681 1.00 0.00 C ATOM 533 O SER A 32 -14.156 6.486 3.765 1.00 0.00 O ATOM 534 CB SER A 32 -13.619 8.174 5.889 1.00 0.00 C ATOM 535 OG SER A 32 -13.481 8.990 4.739 1.00 0.00 O ATOM 0 H SER A 32 -11.141 6.692 4.512 1.00 0.00 H new ATOM 0 HA SER A 32 -12.841 6.335 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.673 7.953 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.261 8.713 6.766 1.00 0.00 H new ATOM 0 HG SER A 32 -13.688 8.464 3.938 1.00 0.00 H new ATOM 1396 N GLY A 91 -11.980 10.923 7.916 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.121 11.086 6.481 1.00 0.00 C ATOM 1398 C GLY A 91 -11.113 12.057 5.894 1.00 0.00 C ATOM 1399 O GLY A 91 -10.810 11.997 4.702 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.007 10.116 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.128 11.437 6.258 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.592 12.956 6.726 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.618 13.941 6.267 1.00 0.00 C ATOM 1405 C VAL A 92 -8.881 14.582 7.442 1.00 0.00 C ATOM 1406 O VAL A 92 -9.475 14.851 8.487 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.291 15.044 5.427 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -11.284 15.832 6.269 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -9.247 15.966 4.812 1.00 0.00 C ATOM 0 H VAL A 92 -10.827 13.022 7.716 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.899 13.409 5.644 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.840 14.567 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.747 16.605 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.054 15.160 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.763 16.296 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.744 16.737 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.663 16.434 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.585 15.388 4.167 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.585 14.825 7.265 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.769 15.436 8.310 1.00 0.00 C ATOM 1421 C LEU A 93 -5.604 16.218 7.709 1.00 0.00 C ATOM 1422 O LEU A 93 -5.141 15.917 6.611 1.00 0.00 O ATOM 1423 CB LEU A 93 -6.239 14.362 9.263 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.693 14.888 10.595 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.497 14.331 11.761 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.220 14.537 10.746 1.00 0.00 C ATOM 0 H LEU A 93 -7.077 14.608 6.407 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.398 16.131 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.042 13.654 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.448 13.808 8.757 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.789 15.974 10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.094 14.716 12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.539 14.635 11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.434 13.243 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.851 14.919 11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.099 13.454 10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.653 14.986 9.930 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.133 17.225 8.439 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.022 18.050 7.980 1.00 0.00 C ATOM 1440 C ASP A 94 -2.708 17.277 8.038 1.00 0.00 C ATOM 1441 O ASP A 94 -2.408 16.618 9.033 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.918 19.319 8.828 1.00 0.00 C ATOM 1443 CG ASP A 94 -5.184 20.152 8.781 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.266 19.574 8.544 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -5.095 21.381 8.980 1.00 0.00 O ATOM 0 H ASP A 94 -5.504 17.489 9.352 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.213 18.328 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.705 19.046 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.078 19.919 8.477 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.929 17.365 6.966 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.647 16.675 6.892 1.00 0.00 C ATOM 1452 C VAL A 95 0.419 17.369 7.742 1.00 0.00 C ATOM 1453 O VAL A 95 1.129 16.715 8.505 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.143 16.569 5.441 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.044 15.620 5.357 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -1.263 16.116 4.516 1.00 0.00 C ATOM 0 H VAL A 95 -2.163 17.908 6.135 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.816 15.672 7.285 1.00 0.00 H new ATOM 0 HB VAL A 95 0.186 17.557 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.387 15.557 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.853 15.992 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.743 14.630 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.887 16.047 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.626 15.139 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.080 16.837 4.554 1.00 0.00 H new ATOM 1466 N PRO A 96 0.554 18.707 7.626 1.00 0.00 N ATOM 1467 CA PRO A 96 1.548 19.460 8.395 1.00 0.00 C ATOM 1468 C PRO A 96 1.141 19.643 9.854 1.00 0.00 C ATOM 1469 O PRO A 96 1.019 20.767 10.341 1.00 0.00 O ATOM 1470 CB PRO A 96 1.597 20.808 7.676 1.00 0.00 C ATOM 1471 CG PRO A 96 0.240 20.969 7.087 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.241 19.584 6.743 1.00 0.00 C ATOM 0 HA PRO A 96 2.509 18.947 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.827 21.618 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.368 20.818 6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.436 21.450 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.274 21.600 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.310 19.474 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.073 19.352 5.691 1.00 0.00 H new ATOM 1480 N ALA A 97 0.936 18.528 10.547 1.00 0.00 N ATOM 1481 CA ALA A 97 0.545 18.560 11.951 1.00 0.00 C ATOM 1482 C ALA A 97 0.467 17.151 12.528 1.00 0.00 C ATOM 1483 O ALA A 97 -0.404 16.851 13.345 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.789 19.273 12.114 1.00 0.00 C ATOM 0 H ALA A 97 1.034 17.590 10.158 1.00 0.00 H new ATOM 0 HA ALA A 97 1.307 19.111 12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.067 19.288 13.168 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.702 20.296 11.747 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.555 18.747 11.544 1.00 0.00 H new ATOM 1490 N CYS A 98 1.382 16.289 12.096 1.00 0.00 N ATOM 1491 CA CYS A 98 1.414 14.911 12.571 1.00 0.00 C ATOM 1492 C CYS A 98 2.849 14.453 12.819 1.00 0.00 C ATOM 1493 O CYS A 98 3.799 15.065 12.332 1.00 0.00 O ATOM 1494 CB CYS A 98 0.740 13.986 11.557 1.00 0.00 C ATOM 1495 SG CYS A 98 1.516 13.990 9.923 1.00 0.00 S ATOM 0 H CYS A 98 2.109 16.520 11.419 1.00 0.00 H new ATOM 0 HA CYS A 98 0.869 14.865 13.514 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.748 12.969 11.948 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -0.305 14.279 11.452 1.00 0.00 H new ATOM 0 HG CYS A 98 1.332 15.146 9.358 1.00 0.00 H new ATOM 1501 N GLN A 99 2.994 13.374 13.580 1.00 0.00 N ATOM 1502 CA GLN A 99 4.310 12.830 13.895 1.00 0.00 C ATOM 1503 C GLN A 99 4.296 11.306 13.836 1.00 0.00 C ATOM 1504 O GLN A 99 3.713 10.648 14.697 1.00 0.00 O ATOM 1505 CB GLN A 99 4.762 13.300 15.279 1.00 0.00 C ATOM 1506 CG GLN A 99 6.123 13.976 15.278 1.00 0.00 C ATOM 1507 CD GLN A 99 7.218 13.085 15.827 1.00 0.00 C ATOM 1508 OE1 GLN A 99 7.748 12.226 15.122 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.564 13.283 17.094 1.00 0.00 N ATOM 0 H GLN A 99 2.216 12.858 13.991 1.00 0.00 H new ATOM 0 HA GLN A 99 5.016 13.196 13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.022 13.994 15.678 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.792 12.444 15.953 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.377 14.271 14.260 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.071 14.889 15.871 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.099 14.006 17.643 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.295 12.712 17.518 1.00 0.00 H new ATOM 1518 N ILE A 100 4.940 10.752 12.814 1.00 0.00 N ATOM 1519 CA ILE A 100 5.001 9.305 12.643 1.00 0.00 C ATOM 1520 C ILE A 100 6.061 8.688 13.548 1.00 0.00 C ATOM 1521 O ILE A 100 6.966 9.376 14.020 1.00 0.00 O ATOM 1522 CB ILE A 100 5.306 8.924 11.180 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.463 9.764 10.220 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.054 7.440 10.956 1.00 0.00 C ATOM 1525 CD1 ILE A 100 2.976 9.512 10.344 1.00 0.00 C ATOM 0 H ILE A 100 5.427 11.283 12.092 1.00 0.00 H new ATOM 0 HA ILE A 100 4.021 8.913 12.916 1.00 0.00 H new ATOM 0 HB ILE A 100 6.358 9.129 10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.661 10.820 10.404 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.775 9.555 9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.274 7.186 9.919 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.697 6.858 11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.010 7.211 11.172 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.440 10.141 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.766 8.464 10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.650 9.749 11.357 1.00 0.00 H new ATOM 1537 N ALA A 101 5.944 7.385 13.783 1.00 0.00 N ATOM 1538 CA ALA A 101 6.893 6.674 14.632 1.00 0.00 C ATOM 1539 C ALA A 101 6.831 5.171 14.381 1.00 0.00 C ATOM 1540 O ALA A 101 6.037 4.462 14.997 1.00 0.00 O ATOM 1541 CB ALA A 101 6.623 6.980 16.098 1.00 0.00 C ATOM 0 H ALA A 101 5.202 6.801 13.398 1.00 0.00 H new ATOM 0 HA ALA A 101 7.897 7.017 14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.339 6.442 16.720 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.725 8.051 16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.611 6.666 16.355 1.00 0.00 H new ATOM 1547 N ILE A 102 7.675 4.691 13.473 1.00 0.00 N ATOM 1548 CA ILE A 102 7.716 3.271 13.142 1.00 0.00 C ATOM 1549 C ILE A 102 8.044 2.431 14.371 1.00 0.00 C ATOM 1550 O ILE A 102 8.869 2.817 15.200 1.00 0.00 O ATOM 1551 CB ILE A 102 8.751 2.978 12.037 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.477 3.849 10.808 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.729 1.500 11.663 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.439 3.602 9.666 1.00 0.00 C ATOM 0 H ILE A 102 8.340 5.264 12.953 1.00 0.00 H new ATOM 0 HA ILE A 102 6.725 3.003 12.776 1.00 0.00 H new ATOM 0 HB ILE A 102 9.743 3.220 12.417 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.460 3.665 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.531 4.899 11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.466 1.311 10.882 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.968 0.899 12.540 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.737 1.232 11.299 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.185 4.253 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.456 3.814 9.995 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.369 2.561 9.350 1.00 0.00 H new ATOM 1566 N ARG A 103 7.392 1.280 14.480 1.00 0.00 N ATOM 1567 CA ARG A 103 7.609 0.378 15.604 1.00 0.00 C ATOM 1568 C ARG A 103 7.752 -1.062 15.121 1.00 0.00 C ATOM 1569 O ARG A 103 6.767 -1.688 14.727 1.00 0.00 O ATOM 1570 CB ARG A 103 6.447 0.477 16.594 1.00 0.00 C ATOM 1571 CG ARG A 103 6.266 1.867 17.184 1.00 0.00 C ATOM 1572 CD ARG A 103 4.826 2.340 17.072 1.00 0.00 C ATOM 1573 NE ARG A 103 4.050 2.025 18.269 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.258 2.588 19.457 1.00 0.00 C ATOM 1575 NH1 ARG A 103 5.217 3.495 19.610 1.00 0.00 N ATOM 1576 NH2 ARG A 103 3.507 2.245 20.494 1.00 0.00 N ATOM 0 H ARG A 103 6.707 0.949 13.801 1.00 0.00 H new ATOM 0 HA ARG A 103 8.532 0.673 16.103 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.526 0.182 16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.609 -0.234 17.404 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.567 1.860 18.232 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.921 2.569 16.669 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.811 3.417 16.903 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.358 1.875 16.204 1.00 0.00 H new ATOM 0 HE ARG A 103 3.305 1.333 18.190 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.797 3.763 18.815 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.373 3.924 20.522 1.00 0.00 H new ATOM 0 HH21 ARG A 103 2.769 1.549 20.382 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.667 2.677 21.404 1.00 0.00 H new ATOM 1590 N PRO A 104 8.978 -1.616 15.142 1.00 0.00 N ATOM 1591 CA PRO A 104 9.231 -2.994 14.700 1.00 0.00 C ATOM 1592 C PRO A 104 8.639 -4.031 15.656 1.00 0.00 C ATOM 1593 O PRO A 104 9.329 -4.955 16.088 1.00 0.00 O ATOM 1594 CB PRO A 104 10.765 -3.102 14.681 1.00 0.00 C ATOM 1595 CG PRO A 104 11.272 -1.705 14.831 1.00 0.00 C ATOM 1596 CD PRO A 104 10.213 -0.958 15.587 1.00 0.00 C ATOM 0 HA PRO A 104 8.768 -3.195 13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.123 -3.737 15.491 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.114 -3.547 13.749 1.00 0.00 H new ATOM 0 HG2 PRO A 104 12.220 -1.690 15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.451 -1.249 13.858 1.00 0.00 H new ATOM 0 HD2 PRO A 104 10.350 -1.040 16.665 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.216 0.105 15.345 1.00 0.00 H new ATOM 1604 N GLU A 105 7.358 -3.869 15.983 1.00 0.00 N ATOM 1605 CA GLU A 105 6.664 -4.783 16.888 1.00 0.00 C ATOM 1606 C GLU A 105 5.265 -4.255 17.203 1.00 0.00 C ATOM 1607 O GLU A 105 4.889 -4.112 18.365 1.00 0.00 O ATOM 1608 CB GLU A 105 7.461 -4.967 18.187 1.00 0.00 C ATOM 1609 CG GLU A 105 7.605 -6.421 18.607 1.00 0.00 C ATOM 1610 CD GLU A 105 8.427 -7.232 17.626 1.00 0.00 C ATOM 1611 OE1 GLU A 105 7.882 -7.619 16.572 1.00 0.00 O ATOM 1612 OE2 GLU A 105 9.617 -7.482 17.911 1.00 0.00 O ATOM 0 H GLU A 105 6.777 -3.108 15.632 1.00 0.00 H new ATOM 0 HA GLU A 105 6.575 -5.751 16.395 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.453 -4.533 18.060 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.971 -4.412 18.987 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.071 -6.467 19.591 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.615 -6.868 18.702 1.00 0.00 H new ATOM 1619 N GLY A 106 4.502 -3.961 16.152 1.00 0.00 N ATOM 1620 CA GLY A 106 3.154 -3.444 16.322 1.00 0.00 C ATOM 1621 C GLY A 106 2.360 -4.187 17.379 1.00 0.00 C ATOM 1622 O GLY A 106 2.343 -3.788 18.544 1.00 0.00 O ATOM 0 H GLY A 106 4.795 -4.072 15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.207 -2.389 16.591 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.626 -3.504 15.370 1.00 0.00 H new ATOM 1626 N LYS A 107 1.698 -5.264 16.974 1.00 0.00 N ATOM 1627 CA LYS A 107 0.894 -6.057 17.900 1.00 0.00 C ATOM 1628 C LYS A 107 0.218 -7.222 17.182 1.00 0.00 C ATOM 1629 O LYS A 107 0.206 -7.288 15.954 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.165 -5.178 18.571 1.00 0.00 C ATOM 1631 CG LYS A 107 0.096 -4.931 20.048 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.707 -3.746 20.564 1.00 0.00 C ATOM 1633 CE LYS A 107 0.166 -2.775 21.343 1.00 0.00 C ATOM 1634 NZ LYS A 107 -0.449 -2.398 22.644 1.00 0.00 N ATOM 0 H LYS A 107 1.701 -5.609 16.014 1.00 0.00 H new ATOM 0 HA LYS A 107 1.561 -6.461 18.661 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.211 -4.220 18.054 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.141 -5.649 18.457 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.162 -5.823 20.619 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.159 -4.748 20.205 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.171 -3.227 19.725 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.514 -4.103 21.203 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.142 -3.226 21.520 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.333 -1.878 20.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.177 -1.735 23.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.369 -1.944 22.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.585 -3.251 23.224 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.351 -8.135 17.965 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.039 -9.297 17.414 1.00 0.00 C ATOM 1650 C ASN A 108 -0.088 -10.163 16.590 1.00 0.00 C ATOM 1651 O ASN A 108 0.444 -11.156 17.085 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.227 -8.851 16.558 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.493 -8.674 17.375 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.006 -9.629 17.956 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.003 -7.447 17.422 1.00 0.00 N ATOM 0 H ASN A 108 -0.349 -8.092 18.984 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.406 -9.898 18.246 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.983 -7.911 16.063 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.403 -9.587 15.774 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.854 -7.268 17.956 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.544 -6.684 16.924 1.00 0.00 H new ATOM 1662 N ASN A 109 0.118 -9.782 15.336 1.00 0.00 N ATOM 1663 CA ASN A 109 1.002 -10.526 14.448 1.00 0.00 C ATOM 1664 C ASN A 109 1.637 -9.602 13.412 1.00 0.00 C ATOM 1665 O ASN A 109 1.914 -10.013 12.285 1.00 0.00 O ATOM 1666 CB ASN A 109 0.231 -11.644 13.745 1.00 0.00 C ATOM 1667 CG ASN A 109 1.148 -12.682 13.130 1.00 0.00 C ATOM 1668 OD1 ASN A 109 2.117 -13.117 13.752 1.00 0.00 O ATOM 1669 ND2 ASN A 109 0.846 -13.085 11.902 1.00 0.00 N ATOM 0 H ASN A 109 -0.315 -8.962 14.911 1.00 0.00 H new ATOM 0 HA ASN A 109 1.796 -10.965 15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.433 -12.129 14.461 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.399 -11.213 12.967 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.427 -13.782 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.033 -12.697 11.424 1.00 0.00 H new ATOM 1676 N ARG A 110 1.866 -8.352 13.803 1.00 0.00 N ATOM 1677 CA ARG A 110 2.470 -7.370 12.910 1.00 0.00 C ATOM 1678 C ARG A 110 3.802 -6.879 13.464 1.00 0.00 C ATOM 1679 O ARG A 110 3.843 -6.170 14.470 1.00 0.00 O ATOM 1680 CB ARG A 110 1.522 -6.188 12.703 1.00 0.00 C ATOM 1681 CG ARG A 110 0.123 -6.594 12.269 1.00 0.00 C ATOM 1682 CD ARG A 110 0.156 -7.458 11.017 1.00 0.00 C ATOM 1683 NE ARG A 110 -0.847 -7.042 10.040 1.00 0.00 N ATOM 1684 CZ ARG A 110 -0.698 -6.007 9.217 1.00 0.00 C ATOM 1685 NH1 ARG A 110 0.412 -5.278 9.252 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -1.659 -5.700 8.358 1.00 0.00 N ATOM 0 H ARG A 110 1.642 -7.996 14.732 1.00 0.00 H new ATOM 0 HA ARG A 110 2.653 -7.852 11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.454 -5.621 13.632 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.946 -5.521 11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.365 -7.140 13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.474 -5.702 12.081 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.147 -7.404 10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.014 -8.499 11.290 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.714 -7.577 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.154 -5.511 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.522 -4.486 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.513 -6.257 8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.545 -4.907 7.727 1.00 0.00 H new ATOM 1700 N LEU A 111 4.890 -7.259 12.803 1.00 0.00 N ATOM 1701 CA LEU A 111 6.223 -6.857 13.231 1.00 0.00 C ATOM 1702 C LEU A 111 6.590 -5.491 12.661 1.00 0.00 C ATOM 1703 O LEU A 111 7.313 -4.721 13.290 1.00 0.00 O ATOM 1704 CB LEU A 111 7.258 -7.898 12.796 1.00 0.00 C ATOM 1705 CG LEU A 111 7.138 -8.363 11.343 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.514 -8.568 10.730 1.00 0.00 C ATOM 1707 CD2 LEU A 111 6.321 -9.643 11.262 1.00 0.00 C ATOM 0 H LEU A 111 4.874 -7.845 11.968 1.00 0.00 H new ATOM 0 HA LEU A 111 6.221 -6.788 14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.254 -7.483 12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.173 -8.767 13.448 1.00 0.00 H new ATOM 0 HG LEU A 111 6.624 -7.588 10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.407 -8.899 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.067 -7.629 10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.056 -9.324 11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.245 -9.961 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.809 -10.424 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.323 -9.463 11.661 1.00 0.00 H new ATOM 1719 N PHE A 112 6.083 -5.197 11.469 1.00 0.00 N ATOM 1720 CA PHE A 112 6.359 -3.921 10.816 1.00 0.00 C ATOM 1721 C PHE A 112 5.139 -3.006 10.873 1.00 0.00 C ATOM 1722 O PHE A 112 4.319 -2.991 9.955 1.00 0.00 O ATOM 1723 CB PHE A 112 6.775 -4.147 9.361 1.00 0.00 C ATOM 1724 CG PHE A 112 8.258 -4.297 9.178 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.954 -5.295 9.839 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.956 -3.438 8.345 1.00 0.00 C ATOM 1727 CE1 PHE A 112 10.319 -5.435 9.674 1.00 0.00 C ATOM 1728 CE2 PHE A 112 10.321 -3.573 8.174 1.00 0.00 C ATOM 1729 CZ PHE A 112 11.003 -4.572 8.840 1.00 0.00 C ATOM 0 H PHE A 112 5.480 -5.823 10.935 1.00 0.00 H new ATOM 0 HA PHE A 112 7.178 -3.438 11.349 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.278 -5.041 8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.425 -3.310 8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.424 -5.972 10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.428 -2.654 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.850 -6.217 10.196 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.853 -2.898 7.520 1.00 0.00 H new ATOM 0 HZ PHE A 112 12.070 -4.678 8.709 1.00 0.00 H new ATOM 1739 N VAL A 113 5.027 -2.244 11.955 1.00 0.00 N ATOM 1740 CA VAL A 113 3.909 -1.325 12.132 1.00 0.00 C ATOM 1741 C VAL A 113 4.395 0.054 12.563 1.00 0.00 C ATOM 1742 O VAL A 113 5.355 0.175 13.324 1.00 0.00 O ATOM 1743 CB VAL A 113 2.907 -1.854 13.176 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.661 -0.982 13.213 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.543 -3.301 12.880 1.00 0.00 C ATOM 0 H VAL A 113 5.698 -2.245 12.724 1.00 0.00 H new ATOM 0 HA VAL A 113 3.408 -1.246 11.167 1.00 0.00 H new ATOM 0 HB VAL A 113 3.379 -1.814 14.158 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.966 -1.372 13.956 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.939 0.039 13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.184 -0.987 12.233 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.834 -3.658 13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.091 -3.367 11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.443 -3.916 12.910 1.00 0.00 H new ATOM 1755 N PHE A 114 3.727 1.093 12.072 1.00 0.00 N ATOM 1756 CA PHE A 114 4.092 2.464 12.407 1.00 0.00 C ATOM 1757 C PHE A 114 2.894 3.226 12.965 1.00 0.00 C ATOM 1758 O PHE A 114 1.796 3.169 12.411 1.00 0.00 O ATOM 1759 CB PHE A 114 4.643 3.185 11.175 1.00 0.00 C ATOM 1760 CG PHE A 114 3.639 3.339 10.068 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.269 2.251 9.294 1.00 0.00 C ATOM 1762 CD2 PHE A 114 3.065 4.572 9.804 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.346 2.389 8.276 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.141 4.717 8.786 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.781 3.625 8.021 1.00 0.00 C ATOM 0 H PHE A 114 2.930 1.011 11.441 1.00 0.00 H new ATOM 0 HA PHE A 114 4.866 2.429 13.174 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.999 4.172 11.471 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.505 2.635 10.798 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.708 1.284 9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.342 5.429 10.400 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.066 1.533 7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.701 5.683 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.060 3.736 7.225 1.00 0.00 H new ATOM 1775 N SER A 115 3.112 3.939 14.064 1.00 0.00 N ATOM 1776 CA SER A 115 2.049 4.712 14.697 1.00 0.00 C ATOM 1777 C SER A 115 2.225 6.202 14.423 1.00 0.00 C ATOM 1778 O SER A 115 3.344 6.716 14.417 1.00 0.00 O ATOM 1779 CB SER A 115 2.034 4.457 16.205 1.00 0.00 C ATOM 1780 OG SER A 115 0.706 4.396 16.698 1.00 0.00 O ATOM 0 H SER A 115 4.015 3.998 14.535 1.00 0.00 H new ATOM 0 HA SER A 115 1.097 4.392 14.272 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.550 3.522 16.424 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.579 5.250 16.717 1.00 0.00 H new ATOM 0 HG SER A 115 0.230 5.219 16.459 1.00 0.00 H new ATOM 1786 N ILE A 116 1.112 6.891 14.198 1.00 0.00 N ATOM 1787 CA ILE A 116 1.141 8.324 13.924 1.00 0.00 C ATOM 1788 C ILE A 116 0.667 9.121 15.135 1.00 0.00 C ATOM 1789 O ILE A 116 -0.040 8.600 15.996 1.00 0.00 O ATOM 1790 CB ILE A 116 0.260 8.685 12.713 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.474 7.681 11.576 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.562 10.100 12.241 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.384 7.954 10.361 1.00 0.00 C ATOM 0 H ILE A 116 0.178 6.481 14.200 1.00 0.00 H new ATOM 0 HA ILE A 116 2.176 8.582 13.700 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.785 8.639 13.019 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.523 7.696 11.281 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.261 6.677 11.943 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.068 10.340 11.385 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.361 10.804 13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.610 10.171 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.180 7.205 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.436 7.910 10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.154 8.945 9.969 1.00 0.00 H new ATOM 1805 N SER A 117 1.062 10.389 15.193 1.00 0.00 N ATOM 1806 CA SER A 117 0.677 11.262 16.296 1.00 0.00 C ATOM 1807 C SER A 117 0.587 12.712 15.834 1.00 0.00 C ATOM 1808 O SER A 117 0.589 12.990 14.635 1.00 0.00 O ATOM 1809 CB SER A 117 1.681 11.138 17.445 1.00 0.00 C ATOM 1810 OG SER A 117 2.902 11.780 17.126 1.00 0.00 O ATOM 0 H SER A 117 1.649 10.835 14.488 1.00 0.00 H new ATOM 0 HA SER A 117 -0.307 10.952 16.649 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.260 11.578 18.349 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.865 10.085 17.659 1.00 0.00 H new ATOM 0 HG SER A 117 3.270 11.393 16.304 1.00 0.00 H new ATOM 1816 N MET A 118 0.512 13.634 16.788 1.00 0.00 N ATOM 1817 CA MET A 118 0.425 15.055 16.470 1.00 0.00 C ATOM 1818 C MET A 118 1.353 15.873 17.367 1.00 0.00 C ATOM 1819 O MET A 118 1.699 15.445 18.468 1.00 0.00 O ATOM 1820 CB MET A 118 -1.017 15.548 16.624 1.00 0.00 C ATOM 1821 CG MET A 118 -2.052 14.592 16.057 1.00 0.00 C ATOM 1822 SD MET A 118 -3.708 15.305 16.018 1.00 0.00 S ATOM 1823 CE MET A 118 -3.459 16.682 14.898 1.00 0.00 C ATOM 0 H MET A 118 0.510 13.423 17.786 1.00 0.00 H new ATOM 0 HA MET A 118 0.739 15.189 15.435 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.225 15.710 17.682 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.117 16.514 16.128 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.761 14.304 15.047 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.067 13.681 16.656 1.00 0.00 H new ATOM 0 HE1 MET A 118 -4.415 16.978 14.467 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.032 17.523 15.445 1.00 0.00 H new ATOM 0 HE3 MET A 118 -2.778 16.384 14.101 1.00 0.00 H new ATOM 1833 N PRO A 119 1.772 17.065 16.904 1.00 0.00 N ATOM 1834 CA PRO A 119 2.666 17.942 17.668 1.00 0.00 C ATOM 1835 C PRO A 119 2.030 18.430 18.967 1.00 0.00 C ATOM 1836 O PRO A 119 1.649 19.595 19.085 1.00 0.00 O ATOM 1837 CB PRO A 119 2.923 19.124 16.719 1.00 0.00 C ATOM 1838 CG PRO A 119 2.515 18.643 15.369 1.00 0.00 C ATOM 1839 CD PRO A 119 1.413 17.651 15.601 1.00 0.00 C ATOM 0 HA PRO A 119 3.575 17.423 17.972 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.345 19.999 17.016 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.973 19.417 16.731 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.172 19.470 14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.354 18.180 14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 119 0.435 18.132 15.629 1.00 0.00 H new ATOM 0 HD3 PRO A 119 1.375 16.897 14.815 1.00 0.00 H new ATOM 1847 N SER A 120 1.920 17.532 19.940 1.00 0.00 N ATOM 1848 CA SER A 120 1.332 17.870 21.231 1.00 0.00 C ATOM 1849 C SER A 120 -0.105 18.360 21.065 1.00 0.00 C ATOM 1850 O SER A 120 -0.343 19.458 20.564 1.00 0.00 O ATOM 1851 CB SER A 120 2.170 18.940 21.931 1.00 0.00 C ATOM 1852 OG SER A 120 3.039 18.361 22.890 1.00 0.00 O ATOM 0 H SER A 120 2.231 16.564 19.859 1.00 0.00 H new ATOM 0 HA SER A 120 1.320 16.968 21.844 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.753 19.490 21.193 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.513 19.660 22.419 1.00 0.00 H new ATOM 0 HG SER A 120 3.565 19.066 23.322 1.00 0.00 H new ATOM 1858 N VAL A 121 -1.057 17.537 21.493 1.00 0.00 N ATOM 1859 CA VAL A 121 -2.468 17.886 21.394 1.00 0.00 C ATOM 1860 C VAL A 121 -3.254 17.332 22.578 1.00 0.00 C ATOM 1861 O VAL A 121 -3.763 18.087 23.407 1.00 0.00 O ATOM 1862 CB VAL A 121 -3.089 17.356 20.087 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -4.496 17.905 19.902 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -2.210 17.709 18.897 1.00 0.00 C ATOM 0 H VAL A 121 -0.876 16.624 21.911 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.526 18.974 21.399 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.154 16.270 20.152 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.918 17.520 18.974 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.120 17.596 20.740 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.459 18.994 19.859 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.664 17.327 17.983 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.110 18.792 18.827 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.225 17.261 19.027 1.00 0.00 H new ATOM 1874 N ALA A 122 -3.348 16.009 22.651 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.070 15.351 23.734 1.00 0.00 C ATOM 1876 C ALA A 122 -3.942 13.834 23.635 1.00 0.00 C ATOM 1877 O ALA A 122 -4.893 13.144 23.270 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.534 15.767 23.721 1.00 0.00 C ATOM 0 H ALA A 122 -2.933 15.370 21.972 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.626 15.664 24.679 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.061 15.269 24.534 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.607 16.847 23.850 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.984 15.484 22.770 1.00 0.00 H new ATOM 1884 N GLN A 123 -2.753 13.326 23.962 1.00 0.00 N ATOM 1885 CA GLN A 123 -2.474 11.890 23.916 1.00 0.00 C ATOM 1886 C GLN A 123 -3.097 11.230 22.685 1.00 0.00 C ATOM 1887 O GLN A 123 -3.570 10.095 22.751 1.00 0.00 O ATOM 1888 CB GLN A 123 -2.967 11.204 25.197 1.00 0.00 C ATOM 1889 CG GLN A 123 -4.479 11.036 25.278 1.00 0.00 C ATOM 1890 CD GLN A 123 -5.109 11.933 26.326 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -4.934 11.723 27.526 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -5.850 12.938 25.876 1.00 0.00 N ATOM 0 H GLN A 123 -1.961 13.894 24.264 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.393 11.769 23.844 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.500 10.222 25.272 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.631 11.783 26.057 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -4.918 11.256 24.305 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -4.714 9.996 25.506 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -5.968 13.075 24.872 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -6.301 13.573 26.534 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.090 11.947 21.566 1.00 0.00 N ATOM 1902 CA TRP A 124 -3.652 11.430 20.325 1.00 0.00 C ATOM 1903 C TRP A 124 -2.583 10.727 19.496 1.00 0.00 C ATOM 1904 O TRP A 124 -1.532 11.298 19.206 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.279 12.564 19.510 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.432 13.228 20.199 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -5.604 14.567 20.401 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.574 12.585 20.776 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -6.781 14.796 21.069 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -7.395 13.596 21.312 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -6.983 11.253 20.894 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -8.600 13.316 21.952 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.179 10.977 21.531 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -8.975 12.004 22.052 1.00 0.00 C ATOM 0 H TRP A 124 -2.701 12.887 21.494 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.425 10.706 20.581 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.515 13.311 19.295 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.617 12.169 18.552 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -4.914 15.334 20.082 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -7.140 15.711 21.340 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.376 10.454 20.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.216 14.106 22.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.504 9.952 21.628 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -9.904 11.756 22.543 1.00 0.00 H new ATOM 1925 N SER A 125 -2.856 9.482 19.119 1.00 0.00 N ATOM 1926 CA SER A 125 -1.915 8.701 18.324 1.00 0.00 C ATOM 1927 C SER A 125 -2.593 7.468 17.734 1.00 0.00 C ATOM 1928 O SER A 125 -3.105 6.620 18.465 1.00 0.00 O ATOM 1929 CB SER A 125 -0.719 8.280 19.180 1.00 0.00 C ATOM 1930 OG SER A 125 0.430 8.062 18.378 1.00 0.00 O ATOM 0 H SER A 125 -3.720 8.993 19.351 1.00 0.00 H new ATOM 0 HA SER A 125 -1.563 9.327 17.504 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.508 9.051 19.921 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.962 7.370 19.728 1.00 0.00 H new ATOM 0 HG SER A 125 0.154 7.806 17.473 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.592 7.376 16.409 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.206 6.246 15.721 1.00 0.00 C ATOM 1938 C LEU A 126 -2.147 5.253 15.255 1.00 0.00 C ATOM 1939 O LEU A 126 -0.954 5.558 15.252 1.00 0.00 O ATOM 1940 CB LEU A 126 -4.027 6.734 14.526 1.00 0.00 C ATOM 1941 CG LEU A 126 -3.285 7.672 13.572 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -3.778 7.482 12.145 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.456 9.119 14.008 1.00 0.00 C ATOM 0 H LEU A 126 -2.173 8.070 15.790 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.868 5.740 16.424 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.373 5.867 13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.914 7.246 14.899 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.224 7.426 13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.239 8.157 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.604 6.452 11.834 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.845 7.700 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.922 9.772 13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.515 9.377 14.006 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.054 9.246 15.013 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.590 4.062 14.864 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.679 3.022 14.398 1.00 0.00 C ATOM 1957 C ASP A 127 -1.923 2.703 12.927 1.00 0.00 C ATOM 1958 O ASP A 127 -3.063 2.690 12.464 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.842 1.757 15.240 1.00 0.00 C ATOM 1960 CG ASP A 127 -3.270 1.248 15.248 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -3.636 0.495 14.321 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -4.022 1.602 16.179 1.00 0.00 O ATOM 0 H ASP A 127 -3.574 3.793 14.861 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.660 3.393 14.506 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.184 0.979 14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.526 1.962 16.263 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.842 2.447 12.197 1.00 0.00 N ATOM 1968 CA VAL A 128 -0.936 2.125 10.778 1.00 0.00 C ATOM 1969 C VAL A 128 0.179 1.174 10.358 1.00 0.00 C ATOM 1970 O VAL A 128 1.244 1.142 10.975 1.00 0.00 O ATOM 1971 CB VAL A 128 -0.868 3.393 9.906 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.205 3.065 8.461 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -1.799 4.466 10.450 1.00 0.00 C ATOM 0 H VAL A 128 0.109 2.456 12.565 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.901 1.642 10.627 1.00 0.00 H new ATOM 0 HB VAL A 128 0.150 3.780 9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.152 3.973 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.493 2.334 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.212 2.653 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.737 5.354 9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.823 4.093 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.505 4.721 11.468 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.070 0.402 9.306 1.00 0.00 N ATOM 1984 CA ALA A 129 0.918 -0.548 8.809 1.00 0.00 C ATOM 1985 C ALA A 129 0.629 -0.941 7.363 1.00 0.00 C ATOM 1986 O ALA A 129 -0.513 -1.226 7.004 1.00 0.00 O ATOM 1987 CB ALA A 129 0.953 -1.784 9.697 1.00 0.00 C ATOM 0 H ALA A 129 -0.945 0.415 8.782 1.00 0.00 H new ATOM 0 HA ALA A 129 1.895 -0.065 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.695 -2.486 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.218 -1.494 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.028 -2.259 9.699 1.00 0.00 H new ATOM 1993 N ALA A 130 1.673 -0.959 6.542 1.00 0.00 N ATOM 1994 CA ALA A 130 1.534 -1.320 5.137 1.00 0.00 C ATOM 1995 C ALA A 130 2.064 -2.728 4.880 1.00 0.00 C ATOM 1996 O ALA A 130 3.160 -3.078 5.319 1.00 0.00 O ATOM 1997 CB ALA A 130 2.259 -0.311 4.257 1.00 0.00 C ATOM 0 H ALA A 130 2.625 -0.728 6.826 1.00 0.00 H new ATOM 0 HA ALA A 130 0.473 -1.306 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.146 -0.594 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.833 0.680 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.317 -0.296 4.517 1.00 0.00 H new ATOM 2003 N ASP A 131 1.278 -3.532 4.169 1.00 0.00 N ATOM 2004 CA ASP A 131 1.668 -4.903 3.856 1.00 0.00 C ATOM 2005 C ASP A 131 3.033 -4.943 3.172 1.00 0.00 C ATOM 2006 O ASP A 131 3.831 -5.849 3.408 1.00 0.00 O ATOM 2007 CB ASP A 131 0.615 -5.563 2.961 1.00 0.00 C ATOM 2008 CG ASP A 131 0.277 -6.971 3.409 1.00 0.00 C ATOM 2009 OD1 ASP A 131 1.084 -7.569 4.152 1.00 0.00 O ATOM 2010 OD2 ASP A 131 -0.797 -7.476 3.017 1.00 0.00 O ATOM 0 H ASP A 131 0.368 -3.258 3.799 1.00 0.00 H new ATOM 0 HA ASP A 131 1.738 -5.456 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.291 -4.957 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.979 -5.589 1.934 1.00 0.00 H new ATOM 2015 N SER A 132 3.291 -3.950 2.329 1.00 0.00 N ATOM 2016 CA SER A 132 4.556 -3.864 1.611 1.00 0.00 C ATOM 2017 C SER A 132 5.566 -3.033 2.392 1.00 0.00 C ATOM 2018 O SER A 132 5.406 -1.822 2.539 1.00 0.00 O ATOM 2019 CB SER A 132 4.339 -3.256 0.224 1.00 0.00 C ATOM 2020 OG SER A 132 4.234 -4.266 -0.765 1.00 0.00 O ATOM 0 H SER A 132 2.639 -3.192 2.126 1.00 0.00 H new ATOM 0 HA SER A 132 4.952 -4.873 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.433 -2.650 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.167 -2.590 -0.018 1.00 0.00 H new ATOM 0 HG SER A 132 4.094 -3.852 -1.642 1.00 0.00 H new ATOM 2026 N GLN A 133 6.612 -3.691 2.885 1.00 0.00 N ATOM 2027 CA GLN A 133 7.655 -3.012 3.644 1.00 0.00 C ATOM 2028 C GLN A 133 8.118 -1.758 2.912 1.00 0.00 C ATOM 2029 O GLN A 133 8.550 -0.784 3.531 1.00 0.00 O ATOM 2030 CB GLN A 133 8.841 -3.949 3.876 1.00 0.00 C ATOM 2031 CG GLN A 133 9.958 -3.328 4.699 1.00 0.00 C ATOM 2032 CD GLN A 133 11.323 -3.881 4.340 1.00 0.00 C ATOM 2033 OE1 GLN A 133 12.212 -3.145 3.911 1.00 0.00 O ATOM 2034 NE2 GLN A 133 11.496 -5.186 4.514 1.00 0.00 N ATOM 0 H GLN A 133 6.759 -4.694 2.772 1.00 0.00 H new ATOM 0 HA GLN A 133 7.241 -2.721 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.488 -4.849 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.242 -4.259 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.957 -2.248 4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 133 9.766 -3.504 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.732 -5.759 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.393 -5.616 4.290 1.00 0.00 H new ATOM 2043 N GLU A 134 8.011 -1.786 1.586 1.00 0.00 N ATOM 2044 CA GLU A 134 8.408 -0.650 0.766 1.00 0.00 C ATOM 2045 C GLU A 134 7.360 0.451 0.847 1.00 0.00 C ATOM 2046 O GLU A 134 7.691 1.634 0.939 1.00 0.00 O ATOM 2047 CB GLU A 134 8.607 -1.083 -0.688 1.00 0.00 C ATOM 2048 CG GLU A 134 9.774 -0.390 -1.375 1.00 0.00 C ATOM 2049 CD GLU A 134 9.324 0.626 -2.406 1.00 0.00 C ATOM 2050 OE1 GLU A 134 8.851 1.709 -2.005 1.00 0.00 O ATOM 2051 OE2 GLU A 134 9.447 0.338 -3.616 1.00 0.00 O ATOM 0 H GLU A 134 7.653 -2.583 1.059 1.00 0.00 H new ATOM 0 HA GLU A 134 9.354 -0.263 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.766 -2.161 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.694 -0.879 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.389 0.107 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.403 -1.138 -1.858 1.00 0.00 H new ATOM 2058 N GLU A 135 6.095 0.053 0.826 1.00 0.00 N ATOM 2059 CA GLU A 135 4.996 1.004 0.913 1.00 0.00 C ATOM 2060 C GLU A 135 4.957 1.632 2.301 1.00 0.00 C ATOM 2061 O GLU A 135 4.598 2.798 2.460 1.00 0.00 O ATOM 2062 CB GLU A 135 3.665 0.313 0.606 1.00 0.00 C ATOM 2063 CG GLU A 135 2.988 0.830 -0.653 1.00 0.00 C ATOM 2064 CD GLU A 135 2.025 -0.174 -1.252 1.00 0.00 C ATOM 2065 OE1 GLU A 135 2.349 -1.381 -1.254 1.00 0.00 O ATOM 2066 OE2 GLU A 135 0.944 0.244 -1.718 1.00 0.00 O ATOM 0 H GLU A 135 5.805 -0.922 0.749 1.00 0.00 H new ATOM 0 HA GLU A 135 5.155 1.790 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.837 -0.758 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.991 0.448 1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.450 1.749 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.748 1.084 -1.392 1.00 0.00 H new ATOM 2073 N LEU A 136 5.337 0.846 3.304 1.00 0.00 N ATOM 2074 CA LEU A 136 5.357 1.319 4.682 1.00 0.00 C ATOM 2075 C LEU A 136 6.418 2.398 4.858 1.00 0.00 C ATOM 2076 O LEU A 136 6.151 3.462 5.417 1.00 0.00 O ATOM 2077 CB LEU A 136 5.625 0.158 5.642 1.00 0.00 C ATOM 2078 CG LEU A 136 5.237 0.419 7.098 1.00 0.00 C ATOM 2079 CD1 LEU A 136 5.285 -0.872 7.901 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.152 1.467 7.713 1.00 0.00 C ATOM 0 H LEU A 136 5.635 -0.122 3.187 1.00 0.00 H new ATOM 0 HA LEU A 136 4.381 1.746 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.082 -0.718 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.686 -0.088 5.603 1.00 0.00 H new ATOM 0 HG LEU A 136 4.216 0.799 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.006 -0.668 8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.589 -1.593 7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 136 6.295 -1.281 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 136 5.862 1.640 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.183 1.115 7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 136 6.068 2.398 7.152 1.00 0.00 H new ATOM 2092 N GLN A 137 7.618 2.117 4.368 1.00 0.00 N ATOM 2093 CA GLN A 137 8.717 3.068 4.462 1.00 0.00 C ATOM 2094 C GLN A 137 8.456 4.268 3.560 1.00 0.00 C ATOM 2095 O GLN A 137 8.753 5.407 3.919 1.00 0.00 O ATOM 2096 CB GLN A 137 10.041 2.399 4.085 1.00 0.00 C ATOM 2097 CG GLN A 137 11.024 2.304 5.240 1.00 0.00 C ATOM 2098 CD GLN A 137 11.348 0.871 5.617 1.00 0.00 C ATOM 2099 OE1 GLN A 137 12.289 0.277 5.092 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.568 0.310 6.533 1.00 0.00 N ATOM 0 H GLN A 137 7.855 1.241 3.903 1.00 0.00 H new ATOM 0 HA GLN A 137 8.787 3.414 5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.838 1.397 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.502 2.958 3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.945 2.822 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.610 2.819 6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.799 0.840 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.738 -0.651 6.828 1.00 0.00 H new ATOM 2109 N ASP A 138 7.885 4.002 2.392 1.00 0.00 N ATOM 2110 CA ASP A 138 7.568 5.057 1.440 1.00 0.00 C ATOM 2111 C ASP A 138 6.424 5.916 1.965 1.00 0.00 C ATOM 2112 O ASP A 138 6.331 7.103 1.651 1.00 0.00 O ATOM 2113 CB ASP A 138 7.193 4.458 0.084 1.00 0.00 C ATOM 2114 CG ASP A 138 7.364 5.447 -1.053 1.00 0.00 C ATOM 2115 OD1 ASP A 138 8.280 6.292 -0.973 1.00 0.00 O ATOM 2116 OD2 ASP A 138 6.580 5.378 -2.024 1.00 0.00 O ATOM 0 H ASP A 138 7.632 3.064 2.082 1.00 0.00 H new ATOM 0 HA ASP A 138 8.451 5.684 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.811 3.580 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.158 4.118 0.114 1.00 0.00 H new ATOM 2121 N TRP A 139 5.558 5.309 2.772 1.00 0.00 N ATOM 2122 CA TRP A 139 4.423 6.020 3.347 1.00 0.00 C ATOM 2123 C TRP A 139 4.894 7.034 4.381 1.00 0.00 C ATOM 2124 O TRP A 139 4.466 8.187 4.376 1.00 0.00 O ATOM 2125 CB TRP A 139 3.440 5.036 3.988 1.00 0.00 C ATOM 2126 CG TRP A 139 2.238 4.768 3.137 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.231 4.276 1.867 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.866 4.982 3.494 1.00 0.00 C ATOM 2129 NE1 TRP A 139 0.939 4.167 1.409 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.084 4.593 2.390 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.222 5.461 4.639 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.305 4.671 2.397 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.158 5.537 4.644 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.909 5.144 3.529 1.00 0.00 C ATOM 0 H TRP A 139 5.622 4.327 3.042 1.00 0.00 H new ATOM 0 HA TRP A 139 3.913 6.551 2.543 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.954 4.096 4.186 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.115 5.431 4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.112 4.010 1.302 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.663 3.825 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.793 5.766 5.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.886 4.369 1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.666 5.906 5.523 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.986 5.216 3.564 1.00 0.00 H new ATOM 2145 N VAL A 140 5.783 6.594 5.264 1.00 0.00 N ATOM 2146 CA VAL A 140 6.318 7.464 6.304 1.00 0.00 C ATOM 2147 C VAL A 140 7.107 8.618 5.699 1.00 0.00 C ATOM 2148 O VAL A 140 7.022 9.756 6.163 1.00 0.00 O ATOM 2149 CB VAL A 140 7.226 6.687 7.278 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.638 7.573 8.444 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.530 5.431 7.777 1.00 0.00 C ATOM 0 H VAL A 140 6.148 5.642 5.281 1.00 0.00 H new ATOM 0 HA VAL A 140 5.465 7.860 6.856 1.00 0.00 H new ATOM 0 HB VAL A 140 8.126 6.385 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.279 7.008 9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.182 8.440 8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.749 7.907 8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.189 4.898 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.612 5.706 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.290 4.787 6.931 1.00 0.00 H new ATOM 2161 N LYS A 141 7.872 8.319 4.657 1.00 0.00 N ATOM 2162 CA LYS A 141 8.676 9.331 3.985 1.00 0.00 C ATOM 2163 C LYS A 141 7.787 10.369 3.312 1.00 0.00 C ATOM 2164 O LYS A 141 8.114 11.556 3.287 1.00 0.00 O ATOM 2165 CB LYS A 141 9.598 8.681 2.951 1.00 0.00 C ATOM 2166 CG LYS A 141 10.730 9.586 2.489 1.00 0.00 C ATOM 2167 CD LYS A 141 11.245 9.179 1.117 1.00 0.00 C ATOM 2168 CE LYS A 141 10.797 10.155 0.040 1.00 0.00 C ATOM 2169 NZ LYS A 141 11.691 11.343 -0.038 1.00 0.00 N ATOM 0 H LYS A 141 7.953 7.383 4.259 1.00 0.00 H new ATOM 0 HA LYS A 141 9.286 9.833 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 141 10.022 7.771 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.006 8.383 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.382 10.618 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.546 9.548 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 141 12.334 9.131 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.886 8.179 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 141 10.781 9.649 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 141 9.777 10.481 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 11.352 11.984 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 11.687 11.841 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.659 11.035 -0.260 1.00 0.00 H new ATOM 2183 N LYS A 142 6.662 9.918 2.770 1.00 0.00 N ATOM 2184 CA LYS A 142 5.731 10.817 2.102 1.00 0.00 C ATOM 2185 C LYS A 142 5.093 11.765 3.107 1.00 0.00 C ATOM 2186 O LYS A 142 5.097 12.981 2.911 1.00 0.00 O ATOM 2187 CB LYS A 142 4.655 10.021 1.360 1.00 0.00 C ATOM 2188 CG LYS A 142 4.392 10.523 -0.051 1.00 0.00 C ATOM 2189 CD LYS A 142 4.549 9.413 -1.079 1.00 0.00 C ATOM 2190 CE LYS A 142 6.005 9.214 -1.471 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.183 9.172 -2.948 1.00 0.00 N ATOM 0 H LYS A 142 6.374 8.940 2.780 1.00 0.00 H new ATOM 0 HA LYS A 142 6.286 11.408 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 142 4.956 8.974 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.727 10.061 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.384 10.934 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.081 11.335 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 142 4.150 8.483 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 142 3.962 9.652 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.606 10.023 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 142 6.375 8.286 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.189 9.035 -3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 5.630 8.384 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 5.854 10.067 -3.363 1.00 0.00 H new ATOM 2205 N ILE A 143 4.566 11.211 4.193 1.00 0.00 N ATOM 2206 CA ILE A 143 3.955 12.031 5.231 1.00 0.00 C ATOM 2207 C ILE A 143 4.949 13.084 5.697 1.00 0.00 C ATOM 2208 O ILE A 143 4.583 14.222 5.997 1.00 0.00 O ATOM 2209 CB ILE A 143 3.506 11.180 6.438 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.551 10.077 5.983 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.844 12.055 7.496 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.365 8.979 7.008 1.00 0.00 C ATOM 0 H ILE A 143 4.549 10.208 4.376 1.00 0.00 H new ATOM 0 HA ILE A 143 3.072 12.508 4.806 1.00 0.00 H new ATOM 0 HB ILE A 143 4.388 10.717 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.581 10.519 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.928 9.640 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.535 11.436 8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.552 12.809 7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.971 12.547 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.675 8.231 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.327 8.511 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.959 9.403 7.926 1.00 0.00 H new ATOM 2224 N ARG A 144 6.217 12.689 5.731 1.00 0.00 N ATOM 2225 CA ARG A 144 7.287 13.587 6.135 1.00 0.00 C ATOM 2226 C ARG A 144 7.624 14.554 5.005 1.00 0.00 C ATOM 2227 O ARG A 144 8.055 15.682 5.251 1.00 0.00 O ATOM 2228 CB ARG A 144 8.530 12.789 6.533 1.00 0.00 C ATOM 2229 CG ARG A 144 8.453 12.200 7.931 1.00 0.00 C ATOM 2230 CD ARG A 144 9.714 11.427 8.283 1.00 0.00 C ATOM 2231 NE ARG A 144 10.886 12.297 8.360 1.00 0.00 N ATOM 2232 CZ ARG A 144 11.652 12.611 7.316 1.00 0.00 C ATOM 2233 NH1 ARG A 144 11.379 12.128 6.109 1.00 0.00 N ATOM 2234 NH2 ARG A 144 12.696 13.411 7.480 1.00 0.00 N ATOM 0 H ARG A 144 6.527 11.750 5.482 1.00 0.00 H new ATOM 0 HA ARG A 144 6.949 14.161 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.678 11.982 5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.404 13.437 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.302 13.000 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.589 11.539 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 144 9.574 10.921 9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.886 10.653 7.535 1.00 0.00 H new ATOM 0 HE ARG A 144 11.133 12.688 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.577 11.511 5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.971 12.374 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 144 12.912 13.785 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 144 13.284 13.653 6.682 1.00 0.00 H new ATOM 2248 N GLU A 145 7.421 14.113 3.763 1.00 0.00 N ATOM 2249 CA GLU A 145 7.700 14.955 2.607 1.00 0.00 C ATOM 2250 C GLU A 145 6.611 16.005 2.433 1.00 0.00 C ATOM 2251 O GLU A 145 6.875 17.118 1.980 1.00 0.00 O ATOM 2252 CB GLU A 145 7.817 14.104 1.341 1.00 0.00 C ATOM 2253 CG GLU A 145 8.201 14.902 0.104 1.00 0.00 C ATOM 2254 CD GLU A 145 7.441 14.465 -1.132 1.00 0.00 C ATOM 2255 OE1 GLU A 145 7.332 13.242 -1.361 1.00 0.00 O ATOM 2256 OE2 GLU A 145 6.956 15.346 -1.873 1.00 0.00 O ATOM 0 H GLU A 145 7.067 13.184 3.536 1.00 0.00 H new ATOM 0 HA GLU A 145 8.649 15.463 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.560 13.324 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 145 6.865 13.604 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.013 15.960 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.271 14.795 -0.075 1.00 0.00 H new ATOM 2263 N VAL A 146 5.388 15.648 2.808 1.00 0.00 N ATOM 2264 CA VAL A 146 4.263 16.565 2.708 1.00 0.00 C ATOM 2265 C VAL A 146 4.288 17.554 3.866 1.00 0.00 C ATOM 2266 O VAL A 146 3.878 18.707 3.725 1.00 0.00 O ATOM 2267 CB VAL A 146 2.916 15.814 2.709 1.00 0.00 C ATOM 2268 CG1 VAL A 146 1.755 16.788 2.582 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.880 14.785 1.590 1.00 0.00 C ATOM 0 H VAL A 146 5.152 14.730 3.184 1.00 0.00 H new ATOM 0 HA VAL A 146 4.358 17.098 1.762 1.00 0.00 H new ATOM 0 HB VAL A 146 2.816 15.291 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 146 0.815 16.236 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 146 1.770 17.483 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 146 1.847 17.344 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.923 14.264 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.005 15.287 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 146 3.687 14.066 1.731 1.00 0.00 H new ATOM 2279 N ALA A 147 4.782 17.093 5.010 1.00 0.00 N ATOM 2280 CA ALA A 147 4.873 17.931 6.196 1.00 0.00 C ATOM 2281 C ALA A 147 5.986 18.961 6.048 1.00 0.00 C ATOM 2282 O ALA A 147 5.835 20.115 6.448 1.00 0.00 O ATOM 2283 CB ALA A 147 5.110 17.075 7.426 1.00 0.00 C ATOM 0 H ALA A 147 5.126 16.141 5.139 1.00 0.00 H new ATOM 0 HA ALA A 147 3.929 18.463 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.176 17.714 8.307 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.283 16.375 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.041 16.520 7.309 1.00 0.00 H new ATOM 2289 N GLN A 148 7.101 18.536 5.465 1.00 0.00 N ATOM 2290 CA GLN A 148 8.239 19.422 5.260 1.00 0.00 C ATOM 2291 C GLN A 148 7.949 20.433 4.154 1.00 0.00 C ATOM 2292 O GLN A 148 8.633 21.449 4.034 1.00 0.00 O ATOM 2293 CB GLN A 148 9.488 18.612 4.913 1.00 0.00 C ATOM 2294 CG GLN A 148 10.096 17.904 6.112 1.00 0.00 C ATOM 2295 CD GLN A 148 11.550 17.534 5.894 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.073 17.651 4.787 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.210 17.082 6.955 1.00 0.00 N ATOM 0 H GLN A 148 7.241 17.584 5.126 1.00 0.00 H new ATOM 0 HA GLN A 148 8.415 19.966 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.234 17.873 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.233 19.276 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.016 18.547 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.523 17.002 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.736 17.001 7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.191 16.816 6.870 1.00 0.00 H new ATOM 2306 N THR A 149 6.926 20.150 3.353 1.00 0.00 N ATOM 2307 CA THR A 149 6.543 21.040 2.263 1.00 0.00 C ATOM 2308 C THR A 149 5.193 21.692 2.542 1.00 0.00 C ATOM 2309 O THR A 149 4.552 22.226 1.636 1.00 0.00 O ATOM 2310 CB THR A 149 6.490 20.269 0.942 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.236 21.148 -0.140 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.428 19.192 0.919 1.00 0.00 C ATOM 0 H THR A 149 6.349 19.313 3.438 1.00 0.00 H new ATOM 0 HA THR A 149 7.295 21.825 2.186 1.00 0.00 H new ATOM 0 HB THR A 149 7.466 19.794 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 149 5.651 21.875 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.445 18.685 -0.046 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.624 18.470 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.448 19.644 1.074 1.00 0.00 H new ATOM 2320 N ALA A 150 4.763 21.648 3.801 1.00 0.00 N ATOM 2321 CA ALA A 150 3.488 22.235 4.194 1.00 0.00 C ATOM 2322 C ALA A 150 2.332 21.598 3.433 1.00 0.00 C ATOM 2323 O ALA A 150 2.566 20.585 2.742 1.00 0.00 O ATOM 2324 CB ALA A 150 3.509 23.740 3.966 1.00 0.00 C ATOM 2325 OXT ALA A 150 1.200 22.118 3.534 1.00 0.00 O ATOM 0 H ALA A 150 5.280 21.212 4.565 1.00 0.00 H new ATOM 0 HA ALA A 150 3.338 22.041 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.551 24.166 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.306 24.187 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.686 23.946 2.910 1.00 0.00 H new