USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 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 79 SER OG : rot 177:sc= 1.26 USER MOD Set 1.2: A 105 SER OG : rot -175:sc= 2.32 USER MOD Set 2.1: A 47 CYS SG : rot 31:sc= 0.0874 USER MOD Set 2.2: A 93 TYR OH : rot -15:sc= -0.213 USER MOD Set 3.1: A 7 TYR OH : rot 169:sc= 1.19 USER MOD Set 3.2: A 157 LYS NZ :NH3+ -141:sc= 1.35 (180deg=-0.898) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00129 K(o=-0.0013,f=-0.67) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.14) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -132:sc= 1.23 USER MOD Single : A 32 GLN : amide:sc=-0.000269 X(o=-0.00027,f=-0.00027) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.134 F(o=-0.66,f=-0.13) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.05) USER MOD Single : A 45 THR OG1 : rot -58:sc= 0.227 USER MOD Single : A 51 CYS SG : rot -44:sc= 0.154 USER MOD Single : A 53 THR OG1 : rot 159:sc= 0.928 USER MOD Single : A 54 THR OG1 : rot 89:sc= 0.934 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0.581 (180deg=0.485) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.11) USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.03) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 74 GLN : amide:sc= -0.0969 X(o=-0.097,f=-0.097) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= 1.68 (180deg=1.12) USER MOD Single : A 98 HIS : no HE2:sc= -0.0385 K(o=-0.039,f=-6.3!) USER MOD Single : A 100 SER OG : rot -40:sc= 0.867 USER MOD Single : A 107 SER OG : rot 76:sc= 1.55 USER MOD Single : A 116 GLN : amide:sc= 0.695 K(o=0.7,f=-3.7!) USER MOD Single : A 117 THR OG1 : rot 89:sc= 0.0386 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -163:sc= 0.625 (180deg=0.0653) USER MOD Single : A 137 HIS : no HD1:sc=-0.00619 X(o=-0.0062,f=-0.13) USER MOD Single : A 138 THR OG1 : rot 81:sc= 0.761 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot -150:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -147:sc= 2.17 (180deg=-0.534) USER MOD Single : A 153 TYR OH : rot 130:sc= 0 USER MOD Single : A 154 SER OG : rot 135:sc= 1.27 USER MOD Single : A 161 THR OG1 : rot 120:sc= 0.115 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.986 4.683 5.927 1.00 2.06 N ATOM 90 CA TYR A 7 15.714 3.245 5.693 1.00 2.11 C ATOM 91 C TYR A 7 15.264 2.924 4.254 1.00 1.82 C ATOM 92 O TYR A 7 15.744 1.959 3.663 1.00 1.78 O ATOM 93 CB TYR A 7 14.631 2.736 6.679 1.00 2.47 C ATOM 94 CG TYR A 7 14.698 1.280 7.120 1.00 2.36 C ATOM 95 CD1 TYR A 7 15.790 0.820 7.887 1.00 2.89 C ATOM 96 CD2 TYR A 7 13.598 0.424 6.909 1.00 3.13 C ATOM 97 CE1 TYR A 7 15.761 -0.467 8.464 1.00 3.28 C ATOM 98 CE2 TYR A 7 13.565 -0.862 7.481 1.00 3.45 C ATOM 99 CZ TYR A 7 14.632 -1.304 8.290 1.00 3.18 C ATOM 100 OH TYR A 7 14.567 -2.505 8.938 1.00 3.86 O ATOM 0 HA TYR A 7 16.663 2.735 5.857 1.00 2.11 H new ATOM 0 HB2 TYR A 7 14.673 3.359 7.573 1.00 2.47 H new ATOM 0 HB3 TYR A 7 13.656 2.902 6.220 1.00 2.47 H new ATOM 0 HD1 TYR A 7 16.651 1.456 8.033 1.00 2.89 H new ATOM 0 HD2 TYR A 7 12.770 0.759 6.301 1.00 3.13 H new ATOM 0 HE1 TYR A 7 16.604 -0.816 9.042 1.00 3.28 H new ATOM 0 HE2 TYR A 7 12.721 -1.511 7.300 1.00 3.45 H new ATOM 0 HH TYR A 7 13.663 -2.873 8.855 1.00 3.86 H new ATOM 110 N GLY A 8 14.328 3.710 3.708 1.00 1.66 N ATOM 111 CA GLY A 8 13.695 3.477 2.401 1.00 1.55 C ATOM 112 C GLY A 8 14.497 4.017 1.217 1.00 1.76 C ATOM 113 O GLY A 8 15.402 4.840 1.386 1.00 2.16 O ATOM 0 H GLY A 8 13.980 4.548 4.174 1.00 1.66 H new ATOM 0 HA2 GLY A 8 13.545 2.406 2.267 1.00 1.55 H new ATOM 0 HA3 GLY A 8 12.708 3.939 2.399 1.00 1.55 H new ATOM 117 N THR A 9 14.134 3.584 0.004 1.00 1.59 N ATOM 118 CA THR A 9 14.811 3.932 -1.258 1.00 1.70 C ATOM 119 C THR A 9 14.269 5.253 -1.807 1.00 1.82 C ATOM 120 O THR A 9 13.146 5.307 -2.310 1.00 1.79 O ATOM 121 CB THR A 9 14.627 2.825 -2.303 1.00 1.74 C ATOM 122 OG1 THR A 9 14.874 1.558 -1.738 1.00 1.88 O ATOM 123 CG2 THR A 9 15.588 3.003 -3.479 1.00 1.90 C ATOM 0 H THR A 9 13.337 2.963 -0.134 1.00 1.59 H new ATOM 0 HA THR A 9 15.875 4.040 -1.048 1.00 1.70 H new ATOM 0 HB THR A 9 13.597 2.893 -2.653 1.00 1.74 H new ATOM 0 HG1 THR A 9 14.750 0.866 -2.420 1.00 1.88 H new ATOM 0 HG21 THR A 9 15.431 2.202 -4.201 1.00 1.90 H new ATOM 0 HG22 THR A 9 15.403 3.965 -3.958 1.00 1.90 H new ATOM 0 HG23 THR A 9 16.616 2.970 -3.117 1.00 1.90 H new ATOM 131 N ARG A 10 15.071 6.317 -1.748 1.00 1.53 N ATOM 132 CA ARG A 10 14.710 7.654 -2.238 1.00 1.41 C ATOM 133 C ARG A 10 14.835 7.770 -3.757 1.00 1.53 C ATOM 134 O ARG A 10 15.907 7.577 -4.327 1.00 1.75 O ATOM 135 CB ARG A 10 15.547 8.701 -1.503 1.00 1.45 C ATOM 136 CG ARG A 10 15.091 10.152 -1.743 1.00 1.70 C ATOM 137 CD ARG A 10 15.927 10.917 -2.784 1.00 2.36 C ATOM 138 NE ARG A 10 15.862 12.379 -2.557 1.00 2.62 N ATOM 139 CZ ARG A 10 15.161 13.288 -3.229 1.00 3.16 C ATOM 140 NH1 ARG A 10 14.364 12.999 -4.232 1.00 3.87 N ATOM 141 NH2 ARG A 10 15.252 14.562 -2.902 1.00 3.69 N ATOM 0 H ARG A 10 16.010 6.276 -1.351 1.00 1.53 H new ATOM 0 HA ARG A 10 13.657 7.834 -2.022 1.00 1.41 H new ATOM 0 HB2 ARG A 10 15.512 8.493 -0.434 1.00 1.45 H new ATOM 0 HB3 ARG A 10 16.587 8.602 -1.813 1.00 1.45 H new ATOM 0 HG2 ARG A 10 14.050 10.144 -2.066 1.00 1.70 H new ATOM 0 HG3 ARG A 10 15.127 10.693 -0.797 1.00 1.70 H new ATOM 0 HD2 ARG A 10 16.964 10.585 -2.736 1.00 2.36 H new ATOM 0 HD3 ARG A 10 15.565 10.686 -3.786 1.00 2.36 H new ATOM 0 HE ARG A 10 16.428 12.735 -1.786 1.00 2.62 H new ATOM 0 HH11 ARG A 10 14.256 12.031 -4.535 1.00 3.87 H new ATOM 0 HH12 ARG A 10 13.853 13.742 -4.708 1.00 3.87 H new ATOM 0 HH21 ARG A 10 15.859 14.849 -2.135 1.00 3.69 H new ATOM 0 HH22 ARG A 10 14.715 15.260 -3.416 1.00 3.69 H new ATOM 155 N LEU A 11 13.738 8.156 -4.412 1.00 1.19 N ATOM 156 CA LEU A 11 13.681 8.311 -5.873 1.00 1.18 C ATOM 157 C LEU A 11 14.228 9.670 -6.317 1.00 1.58 C ATOM 158 O LEU A 11 13.977 10.683 -5.668 1.00 2.12 O ATOM 159 CB LEU A 11 12.239 8.111 -6.381 1.00 1.06 C ATOM 160 CG LEU A 11 11.674 6.688 -6.173 1.00 1.09 C ATOM 161 CD1 LEU A 11 10.218 6.643 -6.652 1.00 1.14 C ATOM 162 CD2 LEU A 11 12.497 5.641 -6.937 1.00 1.14 C ATOM 0 H LEU A 11 12.858 8.372 -3.944 1.00 1.19 H new ATOM 0 HA LEU A 11 14.316 7.542 -6.314 1.00 1.18 H new ATOM 0 HB2 LEU A 11 11.588 8.824 -5.875 1.00 1.06 H new ATOM 0 HB3 LEU A 11 12.206 8.349 -7.444 1.00 1.06 H new ATOM 0 HG LEU A 11 11.728 6.452 -5.110 1.00 1.09 H new ATOM 0 HD11 LEU A 11 9.818 5.640 -6.506 1.00 1.14 H new ATOM 0 HD12 LEU A 11 9.625 7.357 -6.081 1.00 1.14 H new ATOM 0 HD13 LEU A 11 10.175 6.900 -7.710 1.00 1.14 H new ATOM 0 HD21 LEU A 11 12.073 4.651 -6.769 1.00 1.14 H new ATOM 0 HD22 LEU A 11 12.476 5.869 -8.003 1.00 1.14 H new ATOM 0 HD23 LEU A 11 13.528 5.659 -6.582 1.00 1.14 H new ATOM 174 N LEU A 12 14.964 9.698 -7.433 1.00 1.18 N ATOM 175 CA LEU A 12 15.477 10.928 -8.054 1.00 1.31 C ATOM 176 C LEU A 12 14.463 11.509 -9.051 1.00 1.59 C ATOM 177 O LEU A 12 14.235 12.715 -9.054 1.00 1.99 O ATOM 178 CB LEU A 12 16.827 10.641 -8.748 1.00 1.53 C ATOM 179 CG LEU A 12 18.077 10.505 -7.849 1.00 1.94 C ATOM 180 CD1 LEU A 12 18.358 11.791 -7.055 1.00 2.93 C ATOM 181 CD2 LEU A 12 18.014 9.309 -6.886 1.00 3.33 C ATOM 0 H LEU A 12 15.226 8.853 -7.940 1.00 1.18 H new ATOM 0 HA LEU A 12 15.633 11.672 -7.273 1.00 1.31 H new ATOM 0 HB2 LEU A 12 16.722 9.719 -9.320 1.00 1.53 H new ATOM 0 HB3 LEU A 12 17.014 11.441 -9.465 1.00 1.53 H new ATOM 0 HG LEU A 12 18.899 10.325 -8.541 1.00 1.94 H new ATOM 0 HD11 LEU A 12 19.245 11.651 -6.437 1.00 2.93 H new ATOM 0 HD12 LEU A 12 18.525 12.617 -7.747 1.00 2.93 H new ATOM 0 HD13 LEU A 12 17.504 12.019 -6.417 1.00 2.93 H new ATOM 0 HD21 LEU A 12 18.924 9.276 -6.287 1.00 3.33 H new ATOM 0 HD22 LEU A 12 17.151 9.416 -6.229 1.00 3.33 H new ATOM 0 HD23 LEU A 12 17.923 8.386 -7.458 1.00 3.33 H new ATOM 193 N ASN A 13 13.814 10.645 -9.836 1.00 1.35 N ATOM 194 CA ASN A 13 12.832 11.012 -10.858 1.00 1.48 C ATOM 195 C ASN A 13 11.417 10.581 -10.409 1.00 1.39 C ATOM 196 O ASN A 13 10.966 9.499 -10.793 1.00 1.50 O ATOM 197 CB ASN A 13 13.222 10.342 -12.193 1.00 1.88 C ATOM 198 CG ASN A 13 14.535 10.855 -12.779 1.00 2.85 C ATOM 199 OD1 ASN A 13 15.589 10.776 -12.168 1.00 4.32 O ATOM 200 ND2 ASN A 13 14.508 11.381 -13.991 1.00 3.13 N ATOM 0 H ASN A 13 13.963 9.638 -9.775 1.00 1.35 H new ATOM 0 HA ASN A 13 12.823 12.093 -10.997 1.00 1.48 H new ATOM 0 HB2 ASN A 13 13.299 9.266 -12.040 1.00 1.88 H new ATOM 0 HB3 ASN A 13 12.424 10.504 -12.917 1.00 1.88 H new ATOM 0 HD21 ASN A 13 15.369 11.722 -14.418 1.00 3.13 H new ATOM 0 HD22 ASN A 13 13.626 11.446 -14.499 1.00 3.13 H new ATOM 207 N PRO A 14 10.704 11.379 -9.589 1.00 1.16 N ATOM 208 CA PRO A 14 9.396 10.991 -9.082 1.00 1.07 C ATOM 209 C PRO A 14 8.309 11.157 -10.154 1.00 1.19 C ATOM 210 O PRO A 14 7.819 12.249 -10.448 1.00 1.43 O ATOM 211 CB PRO A 14 9.185 11.842 -7.840 1.00 1.23 C ATOM 212 CG PRO A 14 9.950 13.127 -8.150 1.00 1.39 C ATOM 213 CD PRO A 14 11.153 12.598 -8.928 1.00 1.35 C ATOM 0 HA PRO A 14 9.337 9.934 -8.822 1.00 1.07 H new ATOM 0 HB2 PRO A 14 8.127 12.038 -7.663 1.00 1.23 H new ATOM 0 HB3 PRO A 14 9.572 11.351 -6.947 1.00 1.23 H new ATOM 0 HG2 PRO A 14 9.356 13.824 -8.741 1.00 1.39 H new ATOM 0 HG3 PRO A 14 10.249 13.653 -7.243 1.00 1.39 H new ATOM 0 HD2 PRO A 14 11.499 13.331 -9.656 1.00 1.35 H new ATOM 0 HD3 PRO A 14 11.990 12.393 -8.260 1.00 1.35 H new ATOM 221 N LYS A 15 7.945 10.016 -10.737 1.00 0.83 N ATOM 222 CA LYS A 15 6.982 9.878 -11.832 1.00 0.88 C ATOM 223 C LYS A 15 5.536 10.059 -11.330 1.00 1.08 C ATOM 224 O LYS A 15 5.206 9.489 -10.288 1.00 1.19 O ATOM 225 CB LYS A 15 7.167 8.479 -12.444 1.00 1.01 C ATOM 226 CG LYS A 15 6.348 8.190 -13.716 1.00 1.52 C ATOM 227 CD LYS A 15 6.173 6.688 -13.992 1.00 1.82 C ATOM 228 CE LYS A 15 5.073 6.096 -13.093 1.00 2.09 C ATOM 229 NZ LYS A 15 4.842 4.656 -13.370 1.00 2.65 N ATOM 0 H LYS A 15 8.332 9.118 -10.446 1.00 0.83 H new ATOM 0 HA LYS A 15 7.160 10.651 -12.580 1.00 0.88 H new ATOM 0 HB2 LYS A 15 8.223 8.341 -12.676 1.00 1.01 H new ATOM 0 HB3 LYS A 15 6.906 7.736 -11.690 1.00 1.01 H new ATOM 0 HG2 LYS A 15 5.366 8.653 -13.621 1.00 1.52 H new ATOM 0 HG3 LYS A 15 6.839 8.656 -14.571 1.00 1.52 H new ATOM 0 HD2 LYS A 15 5.916 6.533 -15.040 1.00 1.82 H new ATOM 0 HD3 LYS A 15 7.114 6.168 -13.814 1.00 1.82 H new ATOM 0 HE2 LYS A 15 5.352 6.224 -12.047 1.00 2.09 H new ATOM 0 HE3 LYS A 15 4.145 6.648 -13.245 1.00 2.09 H new ATOM 0 HZ1 LYS A 15 4.017 4.327 -12.830 1.00 2.65 H new ATOM 0 HZ2 LYS A 15 4.667 4.522 -14.386 1.00 2.65 H new ATOM 0 HZ3 LYS A 15 5.681 4.109 -13.088 1.00 2.65 H new ATOM 243 N PRO A 16 4.664 10.784 -12.053 1.00 0.80 N ATOM 244 CA PRO A 16 3.255 10.907 -11.703 1.00 0.86 C ATOM 245 C PRO A 16 2.563 9.543 -11.840 1.00 1.04 C ATOM 246 O PRO A 16 2.969 8.725 -12.665 1.00 0.93 O ATOM 247 CB PRO A 16 2.683 11.977 -12.635 1.00 1.04 C ATOM 248 CG PRO A 16 3.596 11.928 -13.859 1.00 1.03 C ATOM 249 CD PRO A 16 4.945 11.451 -13.315 1.00 0.91 C ATOM 0 HA PRO A 16 3.098 11.209 -10.667 1.00 0.86 H new ATOM 0 HB2 PRO A 16 1.648 11.763 -12.901 1.00 1.04 H new ATOM 0 HB3 PRO A 16 2.695 12.961 -12.167 1.00 1.04 H new ATOM 0 HG2 PRO A 16 3.209 11.245 -14.615 1.00 1.03 H new ATOM 0 HG3 PRO A 16 3.682 12.908 -14.329 1.00 1.03 H new ATOM 0 HD2 PRO A 16 5.428 10.770 -14.016 1.00 0.91 H new ATOM 0 HD3 PRO A 16 5.624 12.291 -13.168 1.00 0.91 H new ATOM 257 N VAL A 17 1.542 9.302 -11.013 1.00 0.65 N ATOM 258 CA VAL A 17 0.771 8.049 -10.905 1.00 0.64 C ATOM 259 C VAL A 17 -0.661 8.331 -10.426 1.00 1.07 C ATOM 260 O VAL A 17 -0.882 9.194 -9.579 1.00 1.19 O ATOM 261 CB VAL A 17 1.412 7.007 -9.947 1.00 0.65 C ATOM 262 CG1 VAL A 17 2.701 6.399 -10.530 1.00 0.75 C ATOM 263 CG2 VAL A 17 1.709 7.543 -8.532 1.00 0.81 C ATOM 0 H VAL A 17 1.208 10.013 -10.362 1.00 0.65 H new ATOM 0 HA VAL A 17 0.768 7.624 -11.909 1.00 0.64 H new ATOM 0 HB VAL A 17 0.648 6.235 -9.851 1.00 0.65 H new ATOM 0 HG11 VAL A 17 3.113 5.677 -9.826 1.00 0.75 H new ATOM 0 HG12 VAL A 17 2.474 5.899 -11.472 1.00 0.75 H new ATOM 0 HG13 VAL A 17 3.429 7.191 -10.706 1.00 0.75 H new ATOM 0 HG21 VAL A 17 2.155 6.752 -7.929 1.00 0.81 H new ATOM 0 HG22 VAL A 17 2.401 8.382 -8.599 1.00 0.81 H new ATOM 0 HG23 VAL A 17 0.781 7.875 -8.066 1.00 0.81 H new ATOM 273 N ASP A 18 -1.619 7.556 -10.940 1.00 0.65 N ATOM 274 CA ASP A 18 -3.032 7.559 -10.549 1.00 0.63 C ATOM 275 C ASP A 18 -3.715 6.273 -11.040 1.00 0.88 C ATOM 276 O ASP A 18 -3.290 5.672 -12.028 1.00 1.39 O ATOM 277 CB ASP A 18 -3.753 8.825 -11.066 1.00 0.85 C ATOM 278 CG ASP A 18 -5.200 8.940 -10.575 1.00 1.11 C ATOM 279 OD1 ASP A 18 -5.514 8.482 -9.458 1.00 2.18 O ATOM 280 OD2 ASP A 18 -6.056 9.479 -11.311 1.00 1.80 O ATOM 0 H ASP A 18 -1.422 6.877 -11.675 1.00 0.65 H new ATOM 0 HA ASP A 18 -3.095 7.583 -9.461 1.00 0.63 H new ATOM 0 HB2 ASP A 18 -3.197 9.707 -10.748 1.00 0.85 H new ATOM 0 HB3 ASP A 18 -3.746 8.820 -12.156 1.00 0.85 H new ATOM 285 N PHE A 19 -4.768 5.850 -10.343 1.00 0.64 N ATOM 286 CA PHE A 19 -5.581 4.683 -10.677 1.00 0.72 C ATOM 287 C PHE A 19 -7.003 4.853 -10.147 1.00 1.50 C ATOM 288 O PHE A 19 -7.218 5.533 -9.142 1.00 1.63 O ATOM 289 CB PHE A 19 -4.943 3.400 -10.116 1.00 0.88 C ATOM 290 CG PHE A 19 -4.814 3.313 -8.599 1.00 0.99 C ATOM 291 CD1 PHE A 19 -5.934 3.024 -7.793 1.00 1.67 C ATOM 292 CD2 PHE A 19 -3.555 3.462 -7.987 1.00 2.24 C ATOM 293 CE1 PHE A 19 -5.807 2.919 -6.398 1.00 1.62 C ATOM 294 CE2 PHE A 19 -3.421 3.329 -6.592 1.00 2.24 C ATOM 295 CZ PHE A 19 -4.548 3.072 -5.793 1.00 1.41 C ATOM 0 H PHE A 19 -5.089 6.327 -9.501 1.00 0.64 H new ATOM 0 HA PHE A 19 -5.627 4.595 -11.762 1.00 0.72 H new ATOM 0 HB2 PHE A 19 -5.531 2.548 -10.458 1.00 0.88 H new ATOM 0 HB3 PHE A 19 -3.949 3.295 -10.550 1.00 0.88 H new ATOM 0 HD1 PHE A 19 -6.901 2.882 -8.253 1.00 1.67 H new ATOM 0 HD2 PHE A 19 -2.687 3.680 -8.591 1.00 2.24 H new ATOM 0 HE1 PHE A 19 -6.677 2.721 -5.790 1.00 1.62 H new ATOM 0 HE2 PHE A 19 -2.448 3.425 -6.134 1.00 2.24 H new ATOM 0 HZ PHE A 19 -4.447 2.993 -4.721 1.00 1.41 H new ATOM 305 N ALA A 20 -7.957 4.176 -10.777 1.00 0.86 N ATOM 306 CA ALA A 20 -9.275 3.874 -10.237 1.00 0.75 C ATOM 307 C ALA A 20 -9.265 2.448 -9.684 1.00 0.87 C ATOM 308 O ALA A 20 -8.848 1.513 -10.362 1.00 0.91 O ATOM 309 CB ALA A 20 -10.329 3.976 -11.350 1.00 0.84 C ATOM 0 H ALA A 20 -7.826 3.807 -11.719 1.00 0.86 H new ATOM 0 HA ALA A 20 -9.518 4.584 -9.446 1.00 0.75 H new ATOM 0 HB1 ALA A 20 -11.313 3.749 -10.941 1.00 0.84 H new ATOM 0 HB2 ALA A 20 -10.330 4.986 -11.759 1.00 0.84 H new ATOM 0 HB3 ALA A 20 -10.092 3.265 -12.141 1.00 0.84 H new ATOM 315 N LEU A 21 -9.791 2.283 -8.473 1.00 0.67 N ATOM 316 CA LEU A 21 -10.118 1.004 -7.863 1.00 0.62 C ATOM 317 C LEU A 21 -11.560 1.019 -7.358 1.00 0.94 C ATOM 318 O LEU A 21 -12.191 2.067 -7.188 1.00 1.10 O ATOM 319 CB LEU A 21 -9.156 0.723 -6.696 1.00 0.60 C ATOM 320 CG LEU A 21 -8.329 -0.570 -6.794 1.00 0.72 C ATOM 321 CD1 LEU A 21 -9.190 -1.841 -6.867 1.00 1.12 C ATOM 322 CD2 LEU A 21 -7.354 -0.536 -7.970 1.00 1.16 C ATOM 0 H LEU A 21 -10.009 3.074 -7.867 1.00 0.67 H new ATOM 0 HA LEU A 21 -10.014 0.216 -8.609 1.00 0.62 H new ATOM 0 HB2 LEU A 21 -8.468 1.564 -6.609 1.00 0.60 H new ATOM 0 HB3 LEU A 21 -9.736 0.689 -5.774 1.00 0.60 H new ATOM 0 HG LEU A 21 -7.762 -0.614 -5.864 1.00 0.72 H new ATOM 0 HD11 LEU A 21 -8.543 -2.715 -6.935 1.00 1.12 H new ATOM 0 HD12 LEU A 21 -9.807 -1.914 -5.971 1.00 1.12 H new ATOM 0 HD13 LEU A 21 -9.832 -1.796 -7.747 1.00 1.12 H new ATOM 0 HD21 LEU A 21 -6.790 -1.468 -8.002 1.00 1.16 H new ATOM 0 HD22 LEU A 21 -7.910 -0.416 -8.900 1.00 1.16 H new ATOM 0 HD23 LEU A 21 -6.666 0.300 -7.848 1.00 1.16 H new ATOM 334 N GLU A 22 -12.038 -0.176 -7.057 1.00 0.68 N ATOM 335 CA GLU A 22 -13.335 -0.479 -6.487 1.00 0.72 C ATOM 336 C GLU A 22 -13.187 -0.718 -4.979 1.00 0.98 C ATOM 337 O GLU A 22 -12.147 -1.203 -4.519 1.00 1.17 O ATOM 338 CB GLU A 22 -13.832 -1.718 -7.228 1.00 0.87 C ATOM 339 CG GLU A 22 -15.275 -2.115 -6.913 1.00 1.28 C ATOM 340 CD GLU A 22 -15.888 -2.973 -8.023 1.00 2.19 C ATOM 341 OE1 GLU A 22 -15.136 -3.521 -8.872 1.00 3.00 O ATOM 342 OE2 GLU A 22 -17.132 -3.044 -8.039 1.00 3.02 O ATOM 0 H GLU A 22 -11.488 -1.020 -7.217 1.00 0.68 H new ATOM 0 HA GLU A 22 -14.051 0.335 -6.599 1.00 0.72 H new ATOM 0 HB2 GLU A 22 -13.743 -1.543 -8.300 1.00 0.87 H new ATOM 0 HB3 GLU A 22 -13.178 -2.556 -6.986 1.00 0.87 H new ATOM 0 HG2 GLU A 22 -15.303 -2.665 -5.972 1.00 1.28 H new ATOM 0 HG3 GLU A 22 -15.877 -1.217 -6.775 1.00 1.28 H new ATOM 349 N GLY A 23 -14.204 -0.332 -4.202 1.00 0.79 N ATOM 350 CA GLY A 23 -14.216 -0.427 -2.737 1.00 0.76 C ATOM 351 C GLY A 23 -15.580 -0.843 -2.170 1.00 0.83 C ATOM 352 O GLY A 23 -16.592 -0.690 -2.859 1.00 0.93 O ATOM 0 H GLY A 23 -15.063 0.065 -4.583 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.463 -1.148 -2.420 1.00 0.76 H new ATOM 0 HA3 GLY A 23 -13.933 0.537 -2.314 1.00 0.76 H new ATOM 356 N PRO A 24 -15.639 -1.316 -0.908 1.00 0.79 N ATOM 357 CA PRO A 24 -16.855 -1.844 -0.278 1.00 0.97 C ATOM 358 C PRO A 24 -17.962 -0.804 -0.068 1.00 1.19 C ATOM 359 O PRO A 24 -19.126 -1.173 0.048 1.00 1.62 O ATOM 360 CB PRO A 24 -16.398 -2.422 1.060 1.00 1.02 C ATOM 361 CG PRO A 24 -15.130 -1.640 1.390 1.00 1.04 C ATOM 362 CD PRO A 24 -14.513 -1.405 0.015 1.00 0.91 C ATOM 0 HA PRO A 24 -17.311 -2.585 -0.934 1.00 0.97 H new ATOM 0 HB2 PRO A 24 -17.158 -2.292 1.831 1.00 1.02 H new ATOM 0 HB3 PRO A 24 -16.199 -3.491 0.985 1.00 1.02 H new ATOM 0 HG2 PRO A 24 -15.354 -0.702 1.899 1.00 1.04 H new ATOM 0 HG3 PRO A 24 -14.464 -2.205 2.041 1.00 1.04 H new ATOM 0 HD2 PRO A 24 -13.921 -0.490 0.002 1.00 0.91 H new ATOM 0 HD3 PRO A 24 -13.844 -2.221 -0.260 1.00 0.91 H new ATOM 370 N GLN A 25 -17.621 0.487 -0.013 1.00 0.96 N ATOM 371 CA GLN A 25 -18.587 1.578 0.186 1.00 1.17 C ATOM 372 C GLN A 25 -18.711 2.483 -1.056 1.00 1.28 C ATOM 373 O GLN A 25 -19.322 3.546 -0.981 1.00 1.61 O ATOM 374 CB GLN A 25 -18.206 2.360 1.456 1.00 1.43 C ATOM 375 CG GLN A 25 -18.111 1.429 2.684 1.00 3.09 C ATOM 376 CD GLN A 25 -18.016 2.186 4.003 1.00 3.47 C ATOM 377 OE1 GLN A 25 -17.090 2.931 4.268 1.00 3.59 O ATOM 378 NE2 GLN A 25 -18.977 2.034 4.888 1.00 4.28 N ATOM 0 H GLN A 25 -16.658 0.810 -0.106 1.00 0.96 H new ATOM 0 HA GLN A 25 -19.581 1.152 0.326 1.00 1.17 H new ATOM 0 HB2 GLN A 25 -17.250 2.862 1.303 1.00 1.43 H new ATOM 0 HB3 GLN A 25 -18.948 3.137 1.643 1.00 1.43 H new ATOM 0 HG2 GLN A 25 -18.985 0.779 2.708 1.00 3.09 H new ATOM 0 HG3 GLN A 25 -17.238 0.785 2.578 1.00 3.09 H new ATOM 0 HE21 GLN A 25 -19.762 1.415 4.687 1.00 4.28 H new ATOM 0 HE22 GLN A 25 -18.937 2.535 5.775 1.00 4.28 H new ATOM 387 N GLY A 26 -18.135 2.058 -2.190 1.00 1.00 N ATOM 388 CA GLY A 26 -18.024 2.816 -3.436 1.00 1.07 C ATOM 389 C GLY A 26 -16.592 2.806 -4.005 1.00 1.10 C ATOM 390 O GLY A 26 -15.642 2.518 -3.271 1.00 1.24 O ATOM 0 H GLY A 26 -17.715 1.131 -2.262 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -18.708 2.398 -4.174 1.00 1.07 H new ATOM 0 HA3 GLY A 26 -18.335 3.846 -3.260 1.00 1.07 H new ATOM 394 N PRO A 27 -16.415 3.113 -5.308 1.00 0.97 N ATOM 395 CA PRO A 27 -15.112 3.160 -5.968 1.00 1.11 C ATOM 396 C PRO A 27 -14.338 4.436 -5.615 1.00 1.18 C ATOM 397 O PRO A 27 -14.922 5.443 -5.219 1.00 1.12 O ATOM 398 CB PRO A 27 -15.420 3.077 -7.466 1.00 1.15 C ATOM 399 CG PRO A 27 -16.767 3.791 -7.573 1.00 1.03 C ATOM 400 CD PRO A 27 -17.471 3.399 -6.271 1.00 0.96 C ATOM 0 HA PRO A 27 -14.468 2.343 -5.643 1.00 1.11 H new ATOM 0 HB2 PRO A 27 -14.653 3.568 -8.065 1.00 1.15 H new ATOM 0 HB3 PRO A 27 -15.481 2.045 -7.810 1.00 1.15 H new ATOM 0 HG2 PRO A 27 -16.645 4.871 -7.656 1.00 1.03 H new ATOM 0 HG3 PRO A 27 -17.328 3.465 -8.449 1.00 1.03 H new ATOM 0 HD2 PRO A 27 -18.112 4.206 -5.917 1.00 0.96 H new ATOM 0 HD3 PRO A 27 -18.108 2.527 -6.420 1.00 0.96 H new ATOM 408 N VAL A 28 -13.010 4.388 -5.775 1.00 0.72 N ATOM 409 CA VAL A 28 -12.066 5.427 -5.323 1.00 0.75 C ATOM 410 C VAL A 28 -10.947 5.610 -6.360 1.00 0.97 C ATOM 411 O VAL A 28 -10.455 4.623 -6.904 1.00 0.88 O ATOM 412 CB VAL A 28 -11.476 5.039 -3.939 1.00 0.90 C ATOM 413 CG1 VAL A 28 -10.385 6.013 -3.467 1.00 1.41 C ATOM 414 CG2 VAL A 28 -12.564 4.989 -2.851 1.00 1.65 C ATOM 0 H VAL A 28 -12.546 3.605 -6.235 1.00 0.72 H new ATOM 0 HA VAL A 28 -12.596 6.374 -5.220 1.00 0.75 H new ATOM 0 HB VAL A 28 -11.039 4.051 -4.082 1.00 0.90 H new ATOM 0 HG11 VAL A 28 -10.008 5.694 -2.495 1.00 1.41 H new ATOM 0 HG12 VAL A 28 -9.568 6.021 -4.188 1.00 1.41 H new ATOM 0 HG13 VAL A 28 -10.804 7.016 -3.382 1.00 1.41 H new ATOM 0 HG21 VAL A 28 -12.113 4.714 -1.898 1.00 1.65 H new ATOM 0 HG22 VAL A 28 -13.034 5.968 -2.761 1.00 1.65 H new ATOM 0 HG23 VAL A 28 -13.317 4.249 -3.123 1.00 1.65 H new ATOM 424 N ARG A 29 -10.524 6.860 -6.605 1.00 0.76 N ATOM 425 CA ARG A 29 -9.334 7.190 -7.412 1.00 0.75 C ATOM 426 C ARG A 29 -8.171 7.599 -6.495 1.00 1.11 C ATOM 427 O ARG A 29 -8.404 8.284 -5.499 1.00 1.37 O ATOM 428 CB ARG A 29 -9.651 8.309 -8.430 1.00 0.85 C ATOM 429 CG ARG A 29 -9.943 7.797 -9.859 1.00 1.02 C ATOM 430 CD ARG A 29 -8.742 7.934 -10.816 1.00 2.16 C ATOM 431 NE ARG A 29 -8.923 7.129 -12.045 1.00 2.98 N ATOM 432 CZ ARG A 29 -7.963 6.703 -12.866 1.00 4.42 C ATOM 433 NH1 ARG A 29 -6.745 7.182 -12.820 1.00 5.15 N ATOM 434 NH2 ARG A 29 -8.209 5.759 -13.750 1.00 5.68 N ATOM 0 H ARG A 29 -11.005 7.684 -6.244 1.00 0.76 H new ATOM 0 HA ARG A 29 -9.039 6.303 -7.973 1.00 0.75 H new ATOM 0 HB2 ARG A 29 -10.512 8.875 -8.075 1.00 0.85 H new ATOM 0 HB3 ARG A 29 -8.809 9.000 -8.468 1.00 0.85 H new ATOM 0 HG2 ARG A 29 -10.240 6.749 -9.808 1.00 1.02 H new ATOM 0 HG3 ARG A 29 -10.789 8.348 -10.269 1.00 1.02 H new ATOM 0 HD2 ARG A 29 -8.609 8.982 -11.084 1.00 2.16 H new ATOM 0 HD3 ARG A 29 -7.832 7.618 -10.305 1.00 2.16 H new ATOM 0 HE ARG A 29 -9.880 6.874 -12.289 1.00 2.98 H new ATOM 0 HH11 ARG A 29 -6.506 7.904 -12.140 1.00 5.15 H new ATOM 0 HH12 ARG A 29 -6.035 6.833 -13.464 1.00 5.15 H new ATOM 0 HH21 ARG A 29 -9.140 5.347 -13.811 1.00 5.68 H new ATOM 0 HH22 ARG A 29 -7.468 5.439 -14.374 1.00 5.68 H new ATOM 448 N LEU A 30 -6.921 7.258 -6.831 1.00 0.59 N ATOM 449 CA LEU A 30 -5.746 7.766 -6.101 1.00 0.62 C ATOM 450 C LEU A 30 -5.678 9.303 -6.168 1.00 0.96 C ATOM 451 O LEU A 30 -5.260 9.954 -5.216 1.00 1.08 O ATOM 452 CB LEU A 30 -4.471 7.068 -6.621 1.00 0.74 C ATOM 453 CG LEU A 30 -3.157 7.549 -5.965 1.00 0.85 C ATOM 454 CD1 LEU A 30 -3.132 7.233 -4.464 1.00 2.11 C ATOM 455 CD2 LEU A 30 -1.945 6.882 -6.629 1.00 1.81 C ATOM 0 H LEU A 30 -6.694 6.632 -7.604 1.00 0.59 H new ATOM 0 HA LEU A 30 -5.834 7.523 -5.042 1.00 0.62 H new ATOM 0 HB2 LEU A 30 -4.570 5.995 -6.460 1.00 0.74 H new ATOM 0 HB3 LEU A 30 -4.402 7.224 -7.698 1.00 0.74 H new ATOM 0 HG LEU A 30 -3.107 8.629 -6.103 1.00 0.85 H new ATOM 0 HD11 LEU A 30 -2.194 7.585 -4.034 1.00 2.11 H new ATOM 0 HD12 LEU A 30 -3.967 7.733 -3.973 1.00 2.11 H new ATOM 0 HD13 LEU A 30 -3.217 6.156 -4.317 1.00 2.11 H new ATOM 0 HD21 LEU A 30 -1.030 7.234 -6.153 1.00 1.81 H new ATOM 0 HD22 LEU A 30 -2.019 5.800 -6.518 1.00 1.81 H new ATOM 0 HD23 LEU A 30 -1.924 7.137 -7.688 1.00 1.81 H new ATOM 467 N SER A 31 -6.194 9.905 -7.234 1.00 0.69 N ATOM 468 CA SER A 31 -6.379 11.353 -7.369 1.00 0.84 C ATOM 469 C SER A 31 -7.441 11.983 -6.448 1.00 1.12 C ATOM 470 O SER A 31 -7.637 13.190 -6.506 1.00 1.52 O ATOM 471 CB SER A 31 -6.544 11.746 -8.849 1.00 1.06 C ATOM 472 OG SER A 31 -7.446 10.899 -9.555 1.00 1.32 O ATOM 0 H SER A 31 -6.506 9.387 -8.055 1.00 0.69 H new ATOM 0 HA SER A 31 -5.457 11.798 -6.996 1.00 0.84 H new ATOM 0 HB2 SER A 31 -6.899 12.775 -8.908 1.00 1.06 H new ATOM 0 HB3 SER A 31 -5.570 11.717 -9.337 1.00 1.06 H new ATOM 0 HG SER A 31 -7.035 10.613 -10.397 1.00 1.32 H new ATOM 478 N GLN A 32 -8.058 11.228 -5.527 1.00 0.79 N ATOM 479 CA GLN A 32 -8.789 11.793 -4.381 1.00 0.91 C ATOM 480 C GLN A 32 -7.831 12.263 -3.269 1.00 1.33 C ATOM 481 O GLN A 32 -8.280 12.880 -2.305 1.00 1.45 O ATOM 482 CB GLN A 32 -9.750 10.731 -3.800 1.00 1.01 C ATOM 483 CG GLN A 32 -10.956 10.378 -4.681 1.00 1.35 C ATOM 484 CD GLN A 32 -11.965 11.515 -4.834 1.00 2.13 C ATOM 485 OE1 GLN A 32 -12.239 11.969 -5.930 1.00 2.95 O ATOM 486 NE2 GLN A 32 -12.547 12.027 -3.767 1.00 2.58 N ATOM 0 H GLN A 32 -8.065 10.208 -5.555 1.00 0.79 H new ATOM 0 HA GLN A 32 -9.349 12.656 -4.741 1.00 0.91 H new ATOM 0 HB2 GLN A 32 -9.183 9.820 -3.608 1.00 1.01 H new ATOM 0 HB3 GLN A 32 -10.117 11.087 -2.837 1.00 1.01 H new ATOM 0 HG2 GLN A 32 -10.599 10.087 -5.669 1.00 1.35 H new ATOM 0 HG3 GLN A 32 -11.462 9.511 -4.257 1.00 1.35 H new ATOM 0 HE21 GLN A 32 -12.329 11.659 -2.841 1.00 2.58 H new ATOM 0 HE22 GLN A 32 -13.215 12.791 -3.868 1.00 2.58 H new ATOM 495 N PHE A 33 -6.532 11.941 -3.357 1.00 0.88 N ATOM 496 CA PHE A 33 -5.579 12.056 -2.249 1.00 0.96 C ATOM 497 C PHE A 33 -4.206 12.612 -2.682 1.00 2.03 C ATOM 498 O PHE A 33 -3.193 12.305 -2.055 1.00 2.47 O ATOM 499 CB PHE A 33 -5.416 10.664 -1.614 1.00 1.13 C ATOM 500 CG PHE A 33 -6.673 9.872 -1.308 1.00 1.03 C ATOM 501 CD1 PHE A 33 -7.625 10.350 -0.385 1.00 2.12 C ATOM 502 CD2 PHE A 33 -6.863 8.622 -1.924 1.00 2.04 C ATOM 503 CE1 PHE A 33 -8.767 9.583 -0.095 1.00 2.26 C ATOM 504 CE2 PHE A 33 -8.000 7.852 -1.625 1.00 1.94 C ATOM 505 CZ PHE A 33 -8.956 8.334 -0.716 1.00 1.41 C ATOM 0 H PHE A 33 -6.110 11.588 -4.216 1.00 0.88 H new ATOM 0 HA PHE A 33 -5.977 12.773 -1.531 1.00 0.96 H new ATOM 0 HB2 PHE A 33 -4.796 10.063 -2.280 1.00 1.13 H new ATOM 0 HB3 PHE A 33 -4.861 10.784 -0.683 1.00 1.13 H new ATOM 0 HD1 PHE A 33 -7.477 11.304 0.099 1.00 2.12 H new ATOM 0 HD2 PHE A 33 -6.133 8.253 -2.629 1.00 2.04 H new ATOM 0 HE1 PHE A 33 -9.501 9.953 0.606 1.00 2.26 H new ATOM 0 HE2 PHE A 33 -8.139 6.889 -2.094 1.00 1.94 H new ATOM 0 HZ PHE A 33 -9.835 7.747 -0.494 1.00 1.41 H new ATOM 515 N GLN A 34 -4.127 13.369 -3.783 1.00 0.78 N ATOM 516 CA GLN A 34 -2.838 13.887 -4.285 1.00 0.91 C ATOM 517 C GLN A 34 -2.142 14.831 -3.287 1.00 1.19 C ATOM 518 O GLN A 34 -0.943 14.683 -3.060 1.00 1.98 O ATOM 519 CB GLN A 34 -2.995 14.527 -5.681 1.00 1.14 C ATOM 520 CG GLN A 34 -3.626 13.560 -6.688 1.00 1.77 C ATOM 521 CD GLN A 34 -3.125 13.728 -8.121 1.00 2.22 C ATOM 522 OE1 GLN A 34 -2.703 12.659 -8.764 1.00 2.14 O flip ATOM 523 NE2 GLN A 34 -3.100 14.795 -8.699 1.00 3.82 N flip ATOM 0 H GLN A 34 -4.934 13.639 -4.345 1.00 0.78 H new ATOM 0 HA GLN A 34 -2.175 13.028 -4.391 1.00 0.91 H new ATOM 0 HB2 GLN A 34 -3.612 15.422 -5.602 1.00 1.14 H new ATOM 0 HB3 GLN A 34 -2.018 14.844 -6.046 1.00 1.14 H new ATOM 0 HG2 GLN A 34 -3.429 12.538 -6.364 1.00 1.77 H new ATOM 0 HG3 GLN A 34 -4.707 13.696 -6.676 1.00 1.77 H new ATOM 0 HE21 GLN A 34 -3.421 15.639 -8.225 1.00 3.82 H new ATOM 0 HE22 GLN A 34 -2.758 14.847 -9.659 1.00 3.82 H new ATOM 532 N ASP A 35 -2.894 15.724 -2.642 1.00 0.89 N ATOM 533 CA ASP A 35 -2.470 16.639 -1.569 1.00 1.05 C ATOM 534 C ASP A 35 -2.245 15.932 -0.209 1.00 1.25 C ATOM 535 O ASP A 35 -1.895 16.557 0.796 1.00 1.72 O ATOM 536 CB ASP A 35 -3.560 17.715 -1.415 1.00 1.35 C ATOM 537 CG ASP A 35 -3.879 18.468 -2.717 1.00 2.83 C ATOM 538 OD1 ASP A 35 -4.416 17.809 -3.641 1.00 4.08 O ATOM 539 OD2 ASP A 35 -3.629 19.693 -2.746 1.00 3.87 O ATOM 0 H ASP A 35 -3.882 15.839 -2.867 1.00 0.89 H new ATOM 0 HA ASP A 35 -1.508 17.067 -1.851 1.00 1.05 H new ATOM 0 HB2 ASP A 35 -4.471 17.245 -1.046 1.00 1.35 H new ATOM 0 HB3 ASP A 35 -3.243 18.434 -0.659 1.00 1.35 H new ATOM 544 N LYS A 36 -2.496 14.623 -0.141 1.00 0.96 N ATOM 545 CA LYS A 36 -2.159 13.774 1.003 1.00 1.02 C ATOM 546 C LYS A 36 -0.813 13.063 0.770 1.00 1.13 C ATOM 547 O LYS A 36 -0.166 13.176 -0.267 1.00 1.32 O ATOM 548 CB LYS A 36 -3.296 12.762 1.272 1.00 1.18 C ATOM 549 CG LYS A 36 -4.717 13.338 1.391 1.00 1.63 C ATOM 550 CD LYS A 36 -4.973 14.259 2.594 1.00 1.62 C ATOM 551 CE LYS A 36 -4.438 15.687 2.409 1.00 1.99 C ATOM 552 NZ LYS A 36 -4.938 16.611 3.456 1.00 2.07 N ATOM 0 H LYS A 36 -2.950 14.112 -0.898 1.00 0.96 H new ATOM 0 HA LYS A 36 -2.052 14.400 1.889 1.00 1.02 H new ATOM 0 HB2 LYS A 36 -3.293 12.025 0.469 1.00 1.18 H new ATOM 0 HB3 LYS A 36 -3.066 12.229 2.194 1.00 1.18 H new ATOM 0 HG2 LYS A 36 -4.940 13.893 0.480 1.00 1.63 H new ATOM 0 HG3 LYS A 36 -5.421 12.507 1.438 1.00 1.63 H new ATOM 0 HD2 LYS A 36 -6.046 14.305 2.782 1.00 1.62 H new ATOM 0 HD3 LYS A 36 -4.512 13.821 3.479 1.00 1.62 H new ATOM 0 HE2 LYS A 36 -3.348 15.671 2.431 1.00 1.99 H new ATOM 0 HE3 LYS A 36 -4.732 16.059 1.428 1.00 1.99 H new ATOM 0 HZ1 LYS A 36 -4.474 17.536 3.353 1.00 2.07 H new ATOM 0 HZ2 LYS A 36 -5.967 16.727 3.355 1.00 2.07 H new ATOM 0 HZ3 LYS A 36 -4.725 16.219 4.395 1.00 2.07 H new ATOM 566 N VAL A 37 -0.403 12.284 1.762 1.00 0.85 N ATOM 567 CA VAL A 37 0.694 11.324 1.716 1.00 0.81 C ATOM 568 C VAL A 37 0.027 9.957 1.790 1.00 1.18 C ATOM 569 O VAL A 37 -0.443 9.561 2.856 1.00 1.44 O ATOM 570 CB VAL A 37 1.696 11.537 2.879 1.00 0.84 C ATOM 571 CG1 VAL A 37 2.974 10.722 2.627 1.00 1.00 C ATOM 572 CG2 VAL A 37 2.028 13.028 3.048 1.00 1.17 C ATOM 0 H VAL A 37 -0.854 12.306 2.676 1.00 0.85 H new ATOM 0 HA VAL A 37 1.288 11.435 0.809 1.00 0.81 H new ATOM 0 HB VAL A 37 1.235 11.190 3.804 1.00 0.84 H new ATOM 0 HG11 VAL A 37 3.673 10.877 3.449 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.723 9.663 2.559 1.00 1.00 H new ATOM 0 HG13 VAL A 37 3.434 11.046 1.694 1.00 1.00 H new ATOM 0 HG21 VAL A 37 2.733 13.153 3.870 1.00 1.17 H new ATOM 0 HG22 VAL A 37 2.472 13.408 2.128 1.00 1.17 H new ATOM 0 HG23 VAL A 37 1.115 13.582 3.266 1.00 1.17 H new ATOM 582 N VAL A 38 -0.081 9.287 0.642 1.00 0.75 N ATOM 583 CA VAL A 38 -0.756 8.000 0.512 1.00 0.72 C ATOM 584 C VAL A 38 0.299 6.912 0.572 1.00 0.93 C ATOM 585 O VAL A 38 1.301 6.966 -0.150 1.00 0.85 O ATOM 586 CB VAL A 38 -1.554 7.865 -0.799 1.00 0.73 C ATOM 587 CG1 VAL A 38 -2.428 6.600 -0.764 1.00 0.97 C ATOM 588 CG2 VAL A 38 -2.447 9.084 -1.028 1.00 1.18 C ATOM 0 H VAL A 38 0.305 9.631 -0.237 1.00 0.75 H new ATOM 0 HA VAL A 38 -1.477 7.913 1.325 1.00 0.72 H new ATOM 0 HB VAL A 38 -0.837 7.794 -1.617 1.00 0.73 H new ATOM 0 HG11 VAL A 38 -2.986 6.517 -1.697 1.00 0.97 H new ATOM 0 HG12 VAL A 38 -1.793 5.722 -0.642 1.00 0.97 H new ATOM 0 HG13 VAL A 38 -3.125 6.662 0.072 1.00 0.97 H new ATOM 0 HG21 VAL A 38 -2.998 8.961 -1.960 1.00 1.18 H new ATOM 0 HG22 VAL A 38 -3.150 9.180 -0.201 1.00 1.18 H new ATOM 0 HG23 VAL A 38 -1.830 9.981 -1.087 1.00 1.18 H new ATOM 598 N LEU A 39 0.052 5.939 1.444 1.00 0.73 N ATOM 599 CA LEU A 39 0.850 4.723 1.544 1.00 0.75 C ATOM 600 C LEU A 39 0.071 3.573 0.890 1.00 1.09 C ATOM 601 O LEU A 39 -1.016 3.196 1.338 1.00 1.16 O ATOM 602 CB LEU A 39 1.242 4.451 3.009 1.00 0.86 C ATOM 603 CG LEU A 39 2.342 5.389 3.566 1.00 1.23 C ATOM 604 CD1 LEU A 39 1.890 6.842 3.795 1.00 2.56 C ATOM 605 CD2 LEU A 39 2.867 4.834 4.897 1.00 2.24 C ATOM 0 H LEU A 39 -0.719 5.974 2.110 1.00 0.73 H new ATOM 0 HA LEU A 39 1.792 4.831 1.007 1.00 0.75 H new ATOM 0 HB2 LEU A 39 0.353 4.544 3.633 1.00 0.86 H new ATOM 0 HB3 LEU A 39 1.585 3.420 3.094 1.00 0.86 H new ATOM 0 HG LEU A 39 3.115 5.416 2.798 1.00 1.23 H new ATOM 0 HD11 LEU A 39 2.724 7.425 4.185 1.00 2.56 H new ATOM 0 HD12 LEU A 39 1.557 7.272 2.851 1.00 2.56 H new ATOM 0 HD13 LEU A 39 1.069 6.859 4.511 1.00 2.56 H new ATOM 0 HD21 LEU A 39 3.641 5.495 5.287 1.00 2.24 H new ATOM 0 HD22 LEU A 39 2.048 4.771 5.614 1.00 2.24 H new ATOM 0 HD23 LEU A 39 3.286 3.840 4.737 1.00 2.24 H new ATOM 617 N LEU A 40 0.642 3.058 -0.204 1.00 0.64 N ATOM 618 CA LEU A 40 0.118 1.978 -1.038 1.00 0.58 C ATOM 619 C LEU A 40 0.814 0.659 -0.693 1.00 0.99 C ATOM 620 O LEU A 40 2.045 0.610 -0.605 1.00 1.23 O ATOM 621 CB LEU A 40 0.355 2.333 -2.530 1.00 0.70 C ATOM 622 CG LEU A 40 -0.897 2.589 -3.385 1.00 0.92 C ATOM 623 CD1 LEU A 40 -1.805 1.357 -3.447 1.00 1.59 C ATOM 624 CD2 LEU A 40 -1.672 3.823 -2.909 1.00 2.26 C ATOM 0 H LEU A 40 1.536 3.407 -0.549 1.00 0.64 H new ATOM 0 HA LEU A 40 -0.950 1.861 -0.855 1.00 0.58 H new ATOM 0 HB2 LEU A 40 0.984 3.222 -2.573 1.00 0.70 H new ATOM 0 HB3 LEU A 40 0.920 1.521 -2.988 1.00 0.70 H new ATOM 0 HG LEU A 40 -0.549 2.792 -4.398 1.00 0.92 H new ATOM 0 HD11 LEU A 40 -2.678 1.579 -4.060 1.00 1.59 H new ATOM 0 HD12 LEU A 40 -1.257 0.523 -3.885 1.00 1.59 H new ATOM 0 HD13 LEU A 40 -2.127 1.091 -2.440 1.00 1.59 H new ATOM 0 HD21 LEU A 40 -2.549 3.968 -3.540 1.00 2.26 H new ATOM 0 HD22 LEU A 40 -1.988 3.678 -1.876 1.00 2.26 H new ATOM 0 HD23 LEU A 40 -1.031 4.702 -2.972 1.00 2.26 H new ATOM 636 N PHE A 41 0.032 -0.412 -0.573 1.00 0.55 N ATOM 637 CA PHE A 41 0.517 -1.779 -0.415 1.00 0.54 C ATOM 638 C PHE A 41 -0.350 -2.730 -1.252 1.00 1.48 C ATOM 639 O PHE A 41 -1.580 -2.647 -1.211 1.00 1.84 O ATOM 640 CB PHE A 41 0.516 -2.131 1.086 1.00 0.53 C ATOM 641 CG PHE A 41 1.011 -3.516 1.477 1.00 0.70 C ATOM 642 CD1 PHE A 41 2.126 -4.094 0.836 1.00 1.99 C ATOM 643 CD2 PHE A 41 0.383 -4.212 2.529 1.00 2.02 C ATOM 644 CE1 PHE A 41 2.589 -5.361 1.228 1.00 1.89 C ATOM 645 CE2 PHE A 41 0.849 -5.478 2.924 1.00 2.10 C ATOM 646 CZ PHE A 41 1.952 -6.055 2.271 1.00 0.91 C ATOM 0 H PHE A 41 -0.986 -0.349 -0.583 1.00 0.55 H new ATOM 0 HA PHE A 41 1.539 -1.880 -0.779 1.00 0.54 H new ATOM 0 HB2 PHE A 41 1.129 -1.394 1.606 1.00 0.53 H new ATOM 0 HB3 PHE A 41 -0.502 -2.019 1.458 1.00 0.53 H new ATOM 0 HD1 PHE A 41 2.626 -3.561 0.041 1.00 1.99 H new ATOM 0 HD2 PHE A 41 -0.462 -3.770 3.035 1.00 2.02 H new ATOM 0 HE1 PHE A 41 3.437 -5.803 0.726 1.00 1.89 H new ATOM 0 HE2 PHE A 41 0.360 -6.007 3.729 1.00 2.10 H new ATOM 0 HZ PHE A 41 2.309 -7.029 2.570 1.00 0.91 H new ATOM 656 N PHE A 42 0.304 -3.614 -2.011 1.00 0.63 N ATOM 657 CA PHE A 42 -0.342 -4.630 -2.842 1.00 0.66 C ATOM 658 C PHE A 42 -0.225 -5.998 -2.159 1.00 1.72 C ATOM 659 O PHE A 42 0.889 -6.435 -1.859 1.00 2.12 O ATOM 660 CB PHE A 42 0.285 -4.630 -4.243 1.00 0.71 C ATOM 661 CG PHE A 42 -0.055 -3.406 -5.074 1.00 0.82 C ATOM 662 CD1 PHE A 42 0.660 -2.205 -4.901 1.00 2.11 C ATOM 663 CD2 PHE A 42 -1.080 -3.470 -6.037 1.00 1.72 C ATOM 664 CE1 PHE A 42 0.374 -1.087 -5.707 1.00 2.21 C ATOM 665 CE2 PHE A 42 -1.370 -2.354 -6.841 1.00 1.58 C ATOM 666 CZ PHE A 42 -0.638 -1.163 -6.681 1.00 1.07 C ATOM 0 H PHE A 42 1.322 -3.642 -2.065 1.00 0.63 H new ATOM 0 HA PHE A 42 -1.402 -4.404 -2.957 1.00 0.66 H new ATOM 0 HB2 PHE A 42 1.368 -4.700 -4.145 1.00 0.71 H new ATOM 0 HB3 PHE A 42 -0.044 -5.521 -4.777 1.00 0.71 H new ATOM 0 HD1 PHE A 42 1.431 -2.142 -4.147 1.00 2.11 H new ATOM 0 HD2 PHE A 42 -1.647 -4.381 -6.159 1.00 1.72 H new ATOM 0 HE1 PHE A 42 0.931 -0.171 -5.578 1.00 2.21 H new ATOM 0 HE2 PHE A 42 -2.154 -2.411 -7.581 1.00 1.58 H new ATOM 0 HZ PHE A 42 -0.853 -0.308 -7.305 1.00 1.07 H new ATOM 676 N GLY A 43 -1.361 -6.634 -1.839 1.00 0.70 N ATOM 677 CA GLY A 43 -1.431 -7.969 -1.228 1.00 0.80 C ATOM 678 C GLY A 43 -2.657 -8.816 -1.594 1.00 0.90 C ATOM 679 O GLY A 43 -3.567 -8.397 -2.300 1.00 0.98 O ATOM 0 H GLY A 43 -2.280 -6.223 -2.002 1.00 0.70 H new ATOM 0 HA2 GLY A 43 -0.535 -8.523 -1.510 1.00 0.80 H new ATOM 0 HA3 GLY A 43 -1.406 -7.852 -0.145 1.00 0.80 H new ATOM 683 N PHE A 44 -2.717 -10.007 -1.004 1.00 0.95 N ATOM 684 CA PHE A 44 -3.875 -10.911 -0.966 1.00 0.95 C ATOM 685 C PHE A 44 -4.150 -11.273 0.503 1.00 1.64 C ATOM 686 O PHE A 44 -3.205 -11.515 1.257 1.00 2.36 O ATOM 687 CB PHE A 44 -3.506 -12.149 -1.811 1.00 1.13 C ATOM 688 CG PHE A 44 -4.497 -13.301 -1.935 1.00 1.48 C ATOM 689 CD1 PHE A 44 -5.882 -13.125 -1.774 1.00 3.09 C ATOM 690 CD2 PHE A 44 -4.008 -14.572 -2.300 1.00 2.23 C ATOM 691 CE1 PHE A 44 -6.767 -14.206 -1.943 1.00 4.06 C ATOM 692 CE2 PHE A 44 -4.891 -15.652 -2.484 1.00 3.12 C ATOM 693 CZ PHE A 44 -6.273 -15.469 -2.305 1.00 3.83 C ATOM 0 H PHE A 44 -1.914 -10.394 -0.509 1.00 0.95 H new ATOM 0 HA PHE A 44 -4.780 -10.460 -1.374 1.00 0.95 H new ATOM 0 HB2 PHE A 44 -3.284 -11.800 -2.820 1.00 1.13 H new ATOM 0 HB3 PHE A 44 -2.581 -12.557 -1.404 1.00 1.13 H new ATOM 0 HD1 PHE A 44 -6.271 -12.151 -1.518 1.00 3.09 H new ATOM 0 HD2 PHE A 44 -2.947 -14.718 -2.440 1.00 2.23 H new ATOM 0 HE1 PHE A 44 -7.827 -14.064 -1.794 1.00 4.06 H new ATOM 0 HE2 PHE A 44 -4.507 -16.622 -2.763 1.00 3.12 H new ATOM 0 HZ PHE A 44 -6.952 -16.297 -2.445 1.00 3.83 H new ATOM 703 N THR A 45 -5.417 -11.341 0.938 1.00 0.99 N ATOM 704 CA THR A 45 -5.789 -11.703 2.329 1.00 1.16 C ATOM 705 C THR A 45 -5.361 -13.100 2.768 1.00 1.68 C ATOM 706 O THR A 45 -5.387 -13.379 3.963 1.00 2.10 O ATOM 707 CB THR A 45 -7.281 -11.500 2.604 1.00 1.23 C ATOM 708 OG1 THR A 45 -8.030 -12.085 1.569 1.00 1.88 O ATOM 709 CG2 THR A 45 -7.604 -10.011 2.723 1.00 1.06 C ATOM 0 H THR A 45 -6.220 -11.147 0.340 1.00 0.99 H new ATOM 0 HA THR A 45 -5.214 -11.004 2.937 1.00 1.16 H new ATOM 0 HB THR A 45 -7.540 -11.979 3.548 1.00 1.23 H new ATOM 0 HG1 THR A 45 -7.766 -11.691 0.711 1.00 1.88 H new ATOM 0 HG21 THR A 45 -8.669 -9.884 2.918 1.00 1.06 H new ATOM 0 HG22 THR A 45 -7.030 -9.579 3.543 1.00 1.06 H new ATOM 0 HG23 THR A 45 -7.343 -9.507 1.793 1.00 1.06 H new ATOM 717 N ARG A 46 -4.851 -13.947 1.862 1.00 1.95 N ATOM 718 CA ARG A 46 -4.040 -15.121 2.223 1.00 2.19 C ATOM 719 C ARG A 46 -2.633 -14.703 2.716 1.00 1.91 C ATOM 720 O ARG A 46 -1.617 -15.127 2.161 1.00 2.96 O ATOM 721 CB ARG A 46 -4.009 -16.113 1.044 1.00 2.85 C ATOM 722 CG ARG A 46 -3.487 -17.507 1.456 1.00 3.75 C ATOM 723 CD ARG A 46 -2.200 -17.905 0.718 1.00 5.20 C ATOM 724 NE ARG A 46 -1.709 -19.217 1.177 1.00 5.91 N ATOM 725 CZ ARG A 46 -0.697 -19.902 0.659 1.00 7.16 C ATOM 726 NH1 ARG A 46 0.018 -19.435 -0.349 1.00 7.89 N ATOM 727 NH2 ARG A 46 -0.404 -21.086 1.157 1.00 7.88 N ATOM 0 H ARG A 46 -4.989 -13.838 0.857 1.00 1.95 H new ATOM 0 HA ARG A 46 -4.500 -15.637 3.066 1.00 2.19 H new ATOM 0 HB2 ARG A 46 -5.013 -16.212 0.631 1.00 2.85 H new ATOM 0 HB3 ARG A 46 -3.377 -15.711 0.252 1.00 2.85 H new ATOM 0 HG2 ARG A 46 -3.302 -17.517 2.530 1.00 3.75 H new ATOM 0 HG3 ARG A 46 -4.258 -18.251 1.258 1.00 3.75 H new ATOM 0 HD2 ARG A 46 -2.388 -17.939 -0.355 1.00 5.20 H new ATOM 0 HD3 ARG A 46 -1.433 -17.148 0.884 1.00 5.20 H new ATOM 0 HE ARG A 46 -2.194 -19.639 1.969 1.00 5.91 H new ATOM 0 HH11 ARG A 46 -0.202 -18.524 -0.751 1.00 7.89 H new ATOM 0 HH12 ARG A 46 0.790 -19.986 -0.725 1.00 7.89 H new ATOM 0 HH21 ARG A 46 -0.952 -21.464 1.930 1.00 7.88 H new ATOM 0 HH22 ARG A 46 0.371 -21.625 0.770 1.00 7.88 H new ATOM 741 N CYS A 47 -2.567 -13.840 3.727 1.00 1.24 N ATOM 742 CA CYS A 47 -1.344 -13.285 4.312 1.00 1.69 C ATOM 743 C CYS A 47 -0.371 -14.370 4.823 1.00 1.54 C ATOM 744 O CYS A 47 -0.827 -15.361 5.403 1.00 2.04 O ATOM 745 CB CYS A 47 -1.772 -12.362 5.463 1.00 2.79 C ATOM 746 SG CYS A 47 -2.824 -13.209 6.679 1.00 5.26 S ATOM 0 H CYS A 47 -3.408 -13.489 4.186 1.00 1.24 H new ATOM 0 HA CYS A 47 -0.797 -12.741 3.542 1.00 1.69 H new ATOM 0 HB2 CYS A 47 -0.884 -11.974 5.963 1.00 2.79 H new ATOM 0 HB3 CYS A 47 -2.309 -11.505 5.057 1.00 2.79 H new ATOM 0 HG CYS A 47 -2.492 -14.464 6.740 1.00 5.26 H new ATOM 752 N PRO A 48 0.956 -14.167 4.687 1.00 1.71 N ATOM 753 CA PRO A 48 1.956 -14.788 5.529 1.00 2.15 C ATOM 754 C PRO A 48 2.125 -13.878 6.763 1.00 2.15 C ATOM 755 O PRO A 48 1.141 -13.386 7.309 1.00 2.72 O ATOM 756 CB PRO A 48 3.185 -14.873 4.612 1.00 2.96 C ATOM 757 CG PRO A 48 3.136 -13.523 3.897 1.00 3.03 C ATOM 758 CD PRO A 48 1.633 -13.276 3.748 1.00 2.47 C ATOM 0 HA PRO A 48 1.731 -15.780 5.919 1.00 2.15 H new ATOM 0 HB2 PRO A 48 4.108 -15.003 5.177 1.00 2.96 H new ATOM 0 HB3 PRO A 48 3.118 -15.708 3.914 1.00 2.96 H new ATOM 0 HG2 PRO A 48 3.620 -12.739 4.479 1.00 3.03 H new ATOM 0 HG3 PRO A 48 3.638 -13.558 2.930 1.00 3.03 H new ATOM 0 HD2 PRO A 48 1.391 -12.235 3.962 1.00 2.47 H new ATOM 0 HD3 PRO A 48 1.309 -13.475 2.726 1.00 2.47 H new ATOM 766 N ASP A 49 3.368 -13.592 7.144 1.00 1.76 N ATOM 767 CA ASP A 49 3.712 -12.730 8.292 1.00 1.70 C ATOM 768 C ASP A 49 3.849 -11.273 7.840 1.00 1.54 C ATOM 769 O ASP A 49 3.340 -10.343 8.452 1.00 1.72 O ATOM 770 CB ASP A 49 5.035 -13.218 8.900 1.00 2.02 C ATOM 771 CG ASP A 49 5.519 -12.281 10.014 1.00 3.18 C ATOM 772 OD1 ASP A 49 6.142 -11.251 9.662 1.00 4.17 O ATOM 773 OD2 ASP A 49 5.229 -12.582 11.189 1.00 3.85 O ATOM 0 H ASP A 49 4.188 -13.957 6.658 1.00 1.76 H new ATOM 0 HA ASP A 49 2.920 -12.785 9.039 1.00 1.70 H new ATOM 0 HB2 ASP A 49 4.904 -14.224 9.300 1.00 2.02 H new ATOM 0 HB3 ASP A 49 5.794 -13.281 8.120 1.00 2.02 H new ATOM 778 N VAL A 50 4.492 -11.089 6.693 1.00 1.49 N ATOM 779 CA VAL A 50 4.813 -9.800 6.089 1.00 1.47 C ATOM 780 C VAL A 50 3.611 -8.856 5.965 1.00 1.52 C ATOM 781 O VAL A 50 3.771 -7.647 6.076 1.00 1.72 O ATOM 782 CB VAL A 50 5.497 -10.058 4.722 1.00 1.61 C ATOM 783 CG1 VAL A 50 4.574 -9.904 3.490 1.00 1.79 C ATOM 784 CG2 VAL A 50 6.778 -9.228 4.643 1.00 2.38 C ATOM 0 H VAL A 50 4.820 -11.874 6.130 1.00 1.49 H new ATOM 0 HA VAL A 50 5.496 -9.273 6.755 1.00 1.47 H new ATOM 0 HB VAL A 50 5.758 -11.115 4.678 1.00 1.61 H new ATOM 0 HG11 VAL A 50 5.143 -10.104 2.582 1.00 1.79 H new ATOM 0 HG12 VAL A 50 3.748 -10.611 3.564 1.00 1.79 H new ATOM 0 HG13 VAL A 50 4.180 -8.888 3.455 1.00 1.79 H new ATOM 0 HG21 VAL A 50 7.266 -9.403 3.684 1.00 2.38 H new ATOM 0 HG22 VAL A 50 6.533 -8.170 4.737 1.00 2.38 H new ATOM 0 HG23 VAL A 50 7.450 -9.518 5.451 1.00 2.38 H new ATOM 794 N CYS A 51 2.410 -9.399 5.736 1.00 1.37 N ATOM 795 CA CYS A 51 1.170 -8.634 5.632 1.00 1.28 C ATOM 796 C CYS A 51 0.687 -8.094 6.994 1.00 1.35 C ATOM 797 O CYS A 51 0.588 -6.867 7.099 1.00 1.51 O ATOM 798 CB CYS A 51 0.139 -9.479 4.872 1.00 1.52 C ATOM 799 SG CYS A 51 0.559 -9.519 3.107 1.00 2.26 S ATOM 0 H CYS A 51 2.274 -10.403 5.616 1.00 1.37 H new ATOM 0 HA CYS A 51 1.341 -7.725 5.056 1.00 1.28 H new ATOM 0 HB2 CYS A 51 0.118 -10.492 5.273 1.00 1.52 H new ATOM 0 HB3 CYS A 51 -0.859 -9.062 5.009 1.00 1.52 H new ATOM 0 HG CYS A 51 0.879 -8.323 2.710 1.00 2.26 H new ATOM 805 N PRO A 52 0.411 -8.930 8.024 1.00 1.07 N ATOM 806 CA PRO A 52 0.019 -8.432 9.337 1.00 1.10 C ATOM 807 C PRO A 52 1.132 -7.592 9.971 1.00 1.33 C ATOM 808 O PRO A 52 0.818 -6.545 10.527 1.00 1.24 O ATOM 809 CB PRO A 52 -0.350 -9.667 10.166 1.00 1.28 C ATOM 810 CG PRO A 52 0.392 -10.818 9.499 1.00 1.39 C ATOM 811 CD PRO A 52 0.385 -10.390 8.033 1.00 1.31 C ATOM 0 HA PRO A 52 -0.833 -7.755 9.276 1.00 1.10 H new ATOM 0 HB2 PRO A 52 -0.046 -9.550 11.206 1.00 1.28 H new ATOM 0 HB3 PRO A 52 -1.427 -9.837 10.165 1.00 1.28 H new ATOM 0 HG2 PRO A 52 1.404 -10.930 9.887 1.00 1.39 H new ATOM 0 HG3 PRO A 52 -0.114 -11.772 9.648 1.00 1.39 H new ATOM 0 HD2 PRO A 52 1.249 -10.796 7.507 1.00 1.31 H new ATOM 0 HD3 PRO A 52 -0.503 -10.765 7.524 1.00 1.31 H new ATOM 819 N THR A 53 2.409 -7.979 9.825 1.00 1.00 N ATOM 820 CA THR A 53 3.558 -7.213 10.320 1.00 1.09 C ATOM 821 C THR A 53 3.617 -5.819 9.700 1.00 1.32 C ATOM 822 O THR A 53 3.631 -4.845 10.445 1.00 1.32 O ATOM 823 CB THR A 53 4.846 -8.020 10.125 1.00 1.27 C ATOM 824 OG1 THR A 53 4.708 -9.191 10.891 1.00 1.84 O ATOM 825 CG2 THR A 53 6.085 -7.288 10.633 1.00 2.19 C ATOM 0 H THR A 53 2.673 -8.844 9.354 1.00 1.00 H new ATOM 0 HA THR A 53 3.440 -7.046 11.391 1.00 1.09 H new ATOM 0 HB THR A 53 4.980 -8.204 9.059 1.00 1.27 H new ATOM 0 HG1 THR A 53 5.317 -9.879 10.550 1.00 1.84 H new ATOM 0 HG21 THR A 53 6.967 -7.908 10.469 1.00 2.19 H new ATOM 0 HG22 THR A 53 6.198 -6.347 10.095 1.00 2.19 H new ATOM 0 HG23 THR A 53 5.977 -7.086 11.699 1.00 2.19 H new ATOM 833 N THR A 54 3.542 -5.707 8.361 1.00 1.06 N ATOM 834 CA THR A 54 3.466 -4.419 7.645 1.00 1.12 C ATOM 835 C THR A 54 2.291 -3.587 8.130 1.00 1.19 C ATOM 836 O THR A 54 2.499 -2.454 8.534 1.00 1.25 O ATOM 837 CB THR A 54 3.407 -4.604 6.122 1.00 1.24 C ATOM 838 OG1 THR A 54 4.658 -5.067 5.701 1.00 1.51 O ATOM 839 CG2 THR A 54 3.180 -3.308 5.344 1.00 1.50 C ATOM 0 H THR A 54 3.532 -6.516 7.739 1.00 1.06 H new ATOM 0 HA THR A 54 4.386 -3.880 7.872 1.00 1.12 H new ATOM 0 HB THR A 54 2.575 -5.281 5.929 1.00 1.24 H new ATOM 0 HG1 THR A 54 4.674 -6.046 5.740 1.00 1.51 H new ATOM 0 HG21 THR A 54 3.151 -3.525 4.276 1.00 1.50 H new ATOM 0 HG22 THR A 54 2.234 -2.861 5.649 1.00 1.50 H new ATOM 0 HG23 THR A 54 3.993 -2.612 5.551 1.00 1.50 H new ATOM 847 N LEU A 55 1.064 -4.113 8.129 1.00 0.92 N ATOM 848 CA LEU A 55 -0.107 -3.316 8.525 1.00 0.91 C ATOM 849 C LEU A 55 -0.054 -2.881 10.000 1.00 1.31 C ATOM 850 O LEU A 55 -0.531 -1.789 10.319 1.00 1.55 O ATOM 851 CB LEU A 55 -1.391 -4.112 8.233 1.00 0.82 C ATOM 852 CG LEU A 55 -1.706 -4.305 6.734 1.00 0.85 C ATOM 853 CD1 LEU A 55 -2.857 -5.308 6.591 1.00 1.46 C ATOM 854 CD2 LEU A 55 -2.093 -2.984 6.050 1.00 1.31 C ATOM 0 H LEU A 55 0.853 -5.075 7.863 1.00 0.92 H new ATOM 0 HA LEU A 55 -0.102 -2.399 7.935 1.00 0.91 H new ATOM 0 HB2 LEU A 55 -1.308 -5.093 8.702 1.00 0.82 H new ATOM 0 HB3 LEU A 55 -2.232 -3.603 8.704 1.00 0.82 H new ATOM 0 HG LEU A 55 -0.805 -4.678 6.246 1.00 0.85 H new ATOM 0 HD11 LEU A 55 -3.086 -5.450 5.535 1.00 1.46 H new ATOM 0 HD12 LEU A 55 -2.565 -6.262 7.031 1.00 1.46 H new ATOM 0 HD13 LEU A 55 -3.739 -4.926 7.105 1.00 1.46 H new ATOM 0 HD21 LEU A 55 -2.306 -3.168 4.997 1.00 1.31 H new ATOM 0 HD22 LEU A 55 -2.979 -2.570 6.532 1.00 1.31 H new ATOM 0 HD23 LEU A 55 -1.269 -2.275 6.135 1.00 1.31 H new ATOM 866 N LEU A 56 0.549 -3.689 10.881 1.00 0.95 N ATOM 867 CA LEU A 56 0.806 -3.336 12.278 1.00 1.00 C ATOM 868 C LEU A 56 1.887 -2.258 12.387 1.00 1.35 C ATOM 869 O LEU A 56 1.719 -1.318 13.158 1.00 1.48 O ATOM 870 CB LEU A 56 1.165 -4.627 13.046 1.00 1.00 C ATOM 871 CG LEU A 56 1.310 -4.444 14.571 1.00 1.08 C ATOM 872 CD1 LEU A 56 0.860 -5.715 15.305 1.00 1.43 C ATOM 873 CD2 LEU A 56 2.756 -4.127 14.989 1.00 1.38 C ATOM 0 H LEU A 56 0.877 -4.623 10.636 1.00 0.95 H new ATOM 0 HA LEU A 56 -0.086 -2.900 12.729 1.00 1.00 H new ATOM 0 HB2 LEU A 56 0.396 -5.375 12.854 1.00 1.00 H new ATOM 0 HB3 LEU A 56 2.100 -5.023 12.650 1.00 1.00 H new ATOM 0 HG LEU A 56 0.679 -3.598 14.844 1.00 1.08 H new ATOM 0 HD11 LEU A 56 0.968 -5.572 16.380 1.00 1.43 H new ATOM 0 HD12 LEU A 56 -0.184 -5.921 15.069 1.00 1.43 H new ATOM 0 HD13 LEU A 56 1.476 -6.556 14.988 1.00 1.43 H new ATOM 0 HD21 LEU A 56 2.804 -4.008 16.071 1.00 1.38 H new ATOM 0 HD22 LEU A 56 3.410 -4.944 14.685 1.00 1.38 H new ATOM 0 HD23 LEU A 56 3.080 -3.204 14.507 1.00 1.38 H new ATOM 885 N ALA A 57 2.977 -2.362 11.629 1.00 1.11 N ATOM 886 CA ALA A 57 4.072 -1.393 11.610 1.00 1.18 C ATOM 887 C ALA A 57 3.650 -0.036 11.024 1.00 1.34 C ATOM 888 O ALA A 57 3.944 1.004 11.620 1.00 1.53 O ATOM 889 CB ALA A 57 5.222 -2.017 10.826 1.00 1.20 C ATOM 0 H ALA A 57 3.127 -3.145 10.993 1.00 1.11 H new ATOM 0 HA ALA A 57 4.384 -1.174 12.631 1.00 1.18 H new ATOM 0 HB1 ALA A 57 6.059 -1.320 10.791 1.00 1.20 H new ATOM 0 HB2 ALA A 57 5.538 -2.939 11.315 1.00 1.20 H new ATOM 0 HB3 ALA A 57 4.892 -2.239 9.811 1.00 1.20 H new ATOM 895 N LEU A 58 2.899 -0.046 9.914 1.00 1.15 N ATOM 896 CA LEU A 58 2.231 1.122 9.334 1.00 1.21 C ATOM 897 C LEU A 58 1.351 1.823 10.371 1.00 1.56 C ATOM 898 O LEU A 58 1.527 3.015 10.626 1.00 1.73 O ATOM 899 CB LEU A 58 1.380 0.673 8.123 1.00 1.23 C ATOM 900 CG LEU A 58 2.171 0.273 6.861 1.00 1.23 C ATOM 901 CD1 LEU A 58 1.206 -0.328 5.831 1.00 1.41 C ATOM 902 CD2 LEU A 58 2.849 1.484 6.227 1.00 1.72 C ATOM 0 H LEU A 58 2.736 -0.899 9.378 1.00 1.15 H new ATOM 0 HA LEU A 58 2.988 1.834 9.005 1.00 1.21 H new ATOM 0 HB2 LEU A 58 0.766 -0.174 8.428 1.00 1.23 H new ATOM 0 HB3 LEU A 58 0.699 1.483 7.861 1.00 1.23 H new ATOM 0 HG LEU A 58 2.933 -0.449 7.154 1.00 1.23 H new ATOM 0 HD11 LEU A 58 1.760 -0.613 4.936 1.00 1.41 H new ATOM 0 HD12 LEU A 58 0.724 -1.209 6.255 1.00 1.41 H new ATOM 0 HD13 LEU A 58 0.448 0.410 5.569 1.00 1.41 H new ATOM 0 HD21 LEU A 58 3.399 1.170 5.340 1.00 1.72 H new ATOM 0 HD22 LEU A 58 2.094 2.218 5.945 1.00 1.72 H new ATOM 0 HD23 LEU A 58 3.540 1.930 6.943 1.00 1.72 H new ATOM 914 N LYS A 59 0.421 1.103 11.012 1.00 1.15 N ATOM 915 CA LYS A 59 -0.450 1.732 12.009 1.00 1.19 C ATOM 916 C LYS A 59 0.325 2.196 13.255 1.00 1.33 C ATOM 917 O LYS A 59 0.027 3.260 13.789 1.00 1.37 O ATOM 918 CB LYS A 59 -1.685 0.855 12.269 1.00 1.25 C ATOM 919 CG LYS A 59 -1.608 -0.307 13.268 1.00 1.25 C ATOM 920 CD LYS A 59 -1.614 0.162 14.726 1.00 1.31 C ATOM 921 CE LYS A 59 -2.199 -0.867 15.692 1.00 1.19 C ATOM 922 NZ LYS A 59 -2.255 -0.276 17.051 1.00 1.49 N ATOM 0 H LYS A 59 0.255 0.108 10.862 1.00 1.15 H new ATOM 0 HA LYS A 59 -0.844 2.667 11.609 1.00 1.19 H new ATOM 0 HB2 LYS A 59 -2.486 1.515 12.602 1.00 1.25 H new ATOM 0 HB3 LYS A 59 -1.993 0.438 11.310 1.00 1.25 H new ATOM 0 HG2 LYS A 59 -2.451 -0.978 13.104 1.00 1.25 H new ATOM 0 HG3 LYS A 59 -0.701 -0.882 13.080 1.00 1.25 H new ATOM 0 HD2 LYS A 59 -0.593 0.395 15.029 1.00 1.31 H new ATOM 0 HD3 LYS A 59 -2.187 1.086 14.800 1.00 1.31 H new ATOM 0 HE2 LYS A 59 -3.197 -1.162 15.368 1.00 1.19 H new ATOM 0 HE3 LYS A 59 -1.586 -1.768 15.698 1.00 1.19 H new ATOM 0 HZ1 LYS A 59 -2.473 -1.020 17.744 1.00 1.49 H new ATOM 0 HZ2 LYS A 59 -1.336 0.153 17.281 1.00 1.49 H new ATOM 0 HZ3 LYS A 59 -2.995 0.454 17.082 1.00 1.49 H new ATOM 936 N ARG A 60 1.371 1.470 13.660 1.00 1.24 N ATOM 937 CA ARG A 60 2.283 1.866 14.743 1.00 1.27 C ATOM 938 C ARG A 60 3.007 3.183 14.450 1.00 1.61 C ATOM 939 O ARG A 60 3.139 4.013 15.346 1.00 1.70 O ATOM 940 CB ARG A 60 3.333 0.770 14.958 1.00 1.21 C ATOM 941 CG ARG A 60 2.911 -0.304 15.968 1.00 1.32 C ATOM 942 CD ARG A 60 3.502 -0.032 17.353 1.00 1.54 C ATOM 943 NE ARG A 60 4.976 -0.159 17.326 1.00 2.14 N ATOM 944 CZ ARG A 60 5.776 -0.382 18.358 1.00 3.08 C ATOM 945 NH1 ARG A 60 5.310 -0.525 19.579 1.00 3.23 N ATOM 946 NH2 ARG A 60 7.074 -0.462 18.163 1.00 4.59 N ATOM 0 H ARG A 60 1.614 0.574 13.238 1.00 1.24 H new ATOM 0 HA ARG A 60 1.674 2.007 15.636 1.00 1.27 H new ATOM 0 HB2 ARG A 60 3.546 0.292 14.002 1.00 1.21 H new ATOM 0 HB3 ARG A 60 4.261 1.231 15.298 1.00 1.21 H new ATOM 0 HG2 ARG A 60 1.823 -0.335 16.035 1.00 1.32 H new ATOM 0 HG3 ARG A 60 3.237 -1.283 15.618 1.00 1.32 H new ATOM 0 HD2 ARG A 60 3.224 0.969 17.682 1.00 1.54 H new ATOM 0 HD3 ARG A 60 3.085 -0.733 18.076 1.00 1.54 H new ATOM 0 HE ARG A 60 5.424 -0.065 16.415 1.00 2.14 H new ATOM 0 HH11 ARG A 60 4.307 -0.465 19.752 1.00 3.23 H new ATOM 0 HH12 ARG A 60 5.952 -0.696 20.353 1.00 3.23 H new ATOM 0 HH21 ARG A 60 7.456 -0.353 17.224 1.00 4.59 H new ATOM 0 HH22 ARG A 60 7.698 -0.633 18.951 1.00 4.59 H new ATOM 960 N ALA A 61 3.491 3.376 13.219 1.00 1.24 N ATOM 961 CA ALA A 61 4.114 4.629 12.803 1.00 1.27 C ATOM 962 C ALA A 61 3.098 5.778 12.802 1.00 1.36 C ATOM 963 O ALA A 61 3.436 6.877 13.230 1.00 1.39 O ATOM 964 CB ALA A 61 4.779 4.425 11.437 1.00 1.26 C ATOM 0 H ALA A 61 3.460 2.667 12.486 1.00 1.24 H new ATOM 0 HA ALA A 61 4.886 4.914 13.518 1.00 1.27 H new ATOM 0 HB1 ALA A 61 5.247 5.356 11.118 1.00 1.26 H new ATOM 0 HB2 ALA A 61 5.537 3.645 11.514 1.00 1.26 H new ATOM 0 HB3 ALA A 61 4.026 4.128 10.707 1.00 1.26 H new ATOM 970 N TYR A 62 1.847 5.526 12.394 1.00 1.24 N ATOM 971 CA TYR A 62 0.754 6.503 12.486 1.00 1.33 C ATOM 972 C TYR A 62 0.391 6.879 13.938 1.00 1.57 C ATOM 973 O TYR A 62 0.163 8.056 14.210 1.00 1.76 O ATOM 974 CB TYR A 62 -0.472 5.973 11.727 1.00 1.38 C ATOM 975 CG TYR A 62 -1.727 6.793 11.961 1.00 2.07 C ATOM 976 CD1 TYR A 62 -1.956 7.964 11.217 1.00 2.50 C ATOM 977 CD2 TYR A 62 -2.638 6.414 12.969 1.00 3.04 C ATOM 978 CE1 TYR A 62 -3.087 8.759 11.478 1.00 3.07 C ATOM 979 CE2 TYR A 62 -3.769 7.207 13.237 1.00 3.68 C ATOM 980 CZ TYR A 62 -3.997 8.384 12.490 1.00 3.41 C ATOM 981 OH TYR A 62 -5.089 9.157 12.741 1.00 4.14 O ATOM 0 H TYR A 62 1.563 4.634 11.989 1.00 1.24 H new ATOM 0 HA TYR A 62 1.102 7.426 12.023 1.00 1.33 H new ATOM 0 HB2 TYR A 62 -0.251 5.958 10.660 1.00 1.38 H new ATOM 0 HB3 TYR A 62 -0.659 4.942 12.028 1.00 1.38 H new ATOM 0 HD1 TYR A 62 -1.261 8.254 10.443 1.00 2.50 H new ATOM 0 HD2 TYR A 62 -2.467 5.512 13.537 1.00 3.04 H new ATOM 0 HE1 TYR A 62 -3.259 9.657 10.904 1.00 3.07 H new ATOM 0 HE2 TYR A 62 -4.462 6.916 14.013 1.00 3.68 H new ATOM 0 HH TYR A 62 -5.613 8.757 13.466 1.00 4.14 H new ATOM 991 N GLU A 63 0.364 5.917 14.866 1.00 1.35 N ATOM 992 CA GLU A 63 0.001 6.159 16.271 1.00 1.54 C ATOM 993 C GLU A 63 1.059 7.018 16.979 1.00 1.70 C ATOM 994 O GLU A 63 0.743 7.803 17.870 1.00 1.96 O ATOM 995 CB GLU A 63 -0.166 4.821 17.009 1.00 1.62 C ATOM 996 CG GLU A 63 -1.458 4.082 16.624 1.00 1.80 C ATOM 997 CD GLU A 63 -1.514 2.676 17.222 1.00 2.22 C ATOM 998 OE1 GLU A 63 -0.569 1.870 17.043 1.00 2.29 O ATOM 999 OE2 GLU A 63 -2.573 2.294 17.770 1.00 3.28 O ATOM 0 H GLU A 63 0.594 4.944 14.665 1.00 1.35 H new ATOM 0 HA GLU A 63 -0.944 6.702 16.287 1.00 1.54 H new ATOM 0 HB2 GLU A 63 0.690 4.183 16.791 1.00 1.62 H new ATOM 0 HB3 GLU A 63 -0.164 5.002 18.084 1.00 1.62 H new ATOM 0 HG2 GLU A 63 -2.319 4.656 16.966 1.00 1.80 H new ATOM 0 HG3 GLU A 63 -1.529 4.017 15.538 1.00 1.80 H new ATOM 1006 N LYS A 64 2.322 6.921 16.556 1.00 1.54 N ATOM 1007 CA LYS A 64 3.418 7.716 17.106 1.00 1.64 C ATOM 1008 C LYS A 64 3.454 9.177 16.600 1.00 1.78 C ATOM 1009 O LYS A 64 4.409 9.903 16.890 1.00 1.70 O ATOM 1010 CB LYS A 64 4.733 6.964 16.831 1.00 1.68 C ATOM 1011 CG LYS A 64 5.715 7.174 17.993 1.00 2.14 C ATOM 1012 CD LYS A 64 7.129 6.694 17.663 1.00 2.12 C ATOM 1013 CE LYS A 64 7.995 6.869 18.917 1.00 2.96 C ATOM 1014 NZ LYS A 64 9.418 6.563 18.646 1.00 3.86 N ATOM 0 H LYS A 64 2.613 6.282 15.816 1.00 1.54 H new ATOM 0 HA LYS A 64 3.263 7.823 18.180 1.00 1.64 H new ATOM 0 HB2 LYS A 64 4.532 5.900 16.702 1.00 1.68 H new ATOM 0 HB3 LYS A 64 5.177 7.320 15.901 1.00 1.68 H new ATOM 0 HG2 LYS A 64 5.746 8.233 18.251 1.00 2.14 H new ATOM 0 HG3 LYS A 64 5.351 6.642 18.872 1.00 2.14 H new ATOM 0 HD2 LYS A 64 7.114 5.649 17.353 1.00 2.12 H new ATOM 0 HD3 LYS A 64 7.541 7.267 16.832 1.00 2.12 H new ATOM 0 HE2 LYS A 64 7.906 7.892 19.281 1.00 2.96 H new ATOM 0 HE3 LYS A 64 7.626 6.216 19.708 1.00 2.96 H new ATOM 0 HZ1 LYS A 64 9.861 6.180 19.506 1.00 3.86 H new ATOM 0 HZ2 LYS A 64 9.483 5.861 17.881 1.00 3.86 H new ATOM 0 HZ3 LYS A 64 9.912 7.433 18.360 1.00 3.86 H new ATOM 1028 N LEU A 65 2.478 9.628 15.798 1.00 1.90 N ATOM 1029 CA LEU A 65 2.456 10.970 15.203 1.00 1.90 C ATOM 1030 C LEU A 65 1.876 12.049 16.144 1.00 2.20 C ATOM 1031 O LEU A 65 1.027 11.747 16.982 1.00 2.54 O ATOM 1032 CB LEU A 65 1.634 10.940 13.902 1.00 2.16 C ATOM 1033 CG LEU A 65 2.233 10.121 12.741 1.00 1.85 C ATOM 1034 CD1 LEU A 65 1.303 10.228 11.522 1.00 2.02 C ATOM 1035 CD2 LEU A 65 3.653 10.566 12.353 1.00 2.05 C ATOM 0 H LEU A 65 1.670 9.061 15.541 1.00 1.90 H new ATOM 0 HA LEU A 65 3.493 11.242 15.007 1.00 1.90 H new ATOM 0 HB2 LEU A 65 0.646 10.541 14.130 1.00 2.16 H new ATOM 0 HB3 LEU A 65 1.493 11.966 13.561 1.00 2.16 H new ATOM 0 HG LEU A 65 2.314 9.088 13.080 1.00 1.85 H new ATOM 0 HD11 LEU A 65 1.719 9.652 10.696 1.00 2.02 H new ATOM 0 HD12 LEU A 65 0.319 9.836 11.779 1.00 2.02 H new ATOM 0 HD13 LEU A 65 1.211 11.273 11.225 1.00 2.02 H new ATOM 0 HD21 LEU A 65 4.016 9.949 11.531 1.00 2.05 H new ATOM 0 HD22 LEU A 65 3.635 11.611 12.043 1.00 2.05 H new ATOM 0 HD23 LEU A 65 4.317 10.454 13.210 1.00 2.05 H new ATOM 1047 N PRO A 66 2.250 13.334 15.953 1.00 1.75 N ATOM 1048 CA PRO A 66 1.483 14.472 16.452 1.00 1.82 C ATOM 1049 C PRO A 66 0.205 14.671 15.617 1.00 1.81 C ATOM 1050 O PRO A 66 0.192 14.314 14.431 1.00 1.53 O ATOM 1051 CB PRO A 66 2.407 15.684 16.312 1.00 1.82 C ATOM 1052 CG PRO A 66 3.267 15.332 15.099 1.00 1.70 C ATOM 1053 CD PRO A 66 3.387 13.809 15.171 1.00 1.70 C ATOM 0 HA PRO A 66 1.167 14.322 17.484 1.00 1.82 H new ATOM 0 HB2 PRO A 66 1.843 16.603 16.152 1.00 1.82 H new ATOM 0 HB3 PRO A 66 3.013 15.833 17.205 1.00 1.82 H new ATOM 0 HG2 PRO A 66 2.798 15.653 14.169 1.00 1.70 H new ATOM 0 HG3 PRO A 66 4.244 15.814 15.147 1.00 1.70 H new ATOM 0 HD2 PRO A 66 3.379 13.373 14.172 1.00 1.70 H new ATOM 0 HD3 PRO A 66 4.327 13.517 15.639 1.00 1.70 H new ATOM 1061 N PRO A 67 -0.833 15.325 16.176 1.00 1.67 N ATOM 1062 CA PRO A 67 -2.106 15.547 15.492 1.00 1.67 C ATOM 1063 C PRO A 67 -1.990 16.419 14.231 1.00 1.65 C ATOM 1064 O PRO A 67 -2.890 16.389 13.398 1.00 1.64 O ATOM 1065 CB PRO A 67 -3.038 16.170 16.536 1.00 1.96 C ATOM 1066 CG PRO A 67 -2.081 16.826 17.531 1.00 2.06 C ATOM 1067 CD PRO A 67 -0.890 15.871 17.524 1.00 1.90 C ATOM 0 HA PRO A 67 -2.494 14.602 15.113 1.00 1.67 H new ATOM 0 HB2 PRO A 67 -3.711 16.900 16.087 1.00 1.96 H new ATOM 0 HB3 PRO A 67 -3.661 15.416 17.017 1.00 1.96 H new ATOM 0 HG2 PRO A 67 -1.797 17.831 17.218 1.00 2.06 H new ATOM 0 HG3 PRO A 67 -2.525 16.914 18.523 1.00 2.06 H new ATOM 0 HD2 PRO A 67 0.033 16.394 17.774 1.00 1.90 H new ATOM 0 HD3 PRO A 67 -1.018 15.079 18.262 1.00 1.90 H new ATOM 1075 N LYS A 68 -0.879 17.139 14.010 1.00 1.48 N ATOM 1076 CA LYS A 68 -0.692 17.832 12.723 1.00 1.40 C ATOM 1077 C LYS A 68 -0.166 16.919 11.606 1.00 1.51 C ATOM 1078 O LYS A 68 -0.471 17.136 10.435 1.00 1.50 O ATOM 1079 CB LYS A 68 0.136 19.122 12.911 1.00 1.54 C ATOM 1080 CG LYS A 68 -0.677 20.325 13.445 1.00 1.96 C ATOM 1081 CD LYS A 68 -1.940 20.560 12.601 1.00 2.24 C ATOM 1082 CE LYS A 68 -2.633 21.916 12.724 1.00 2.88 C ATOM 1083 NZ LYS A 68 -3.839 21.904 11.857 1.00 3.16 N ATOM 0 H LYS A 68 -0.119 17.256 14.680 1.00 1.48 H new ATOM 0 HA LYS A 68 -1.679 18.133 12.372 1.00 1.40 H new ATOM 0 HB2 LYS A 68 0.956 18.917 13.600 1.00 1.54 H new ATOM 0 HB3 LYS A 68 0.584 19.396 11.956 1.00 1.54 H new ATOM 0 HG2 LYS A 68 -0.958 20.146 14.483 1.00 1.96 H new ATOM 0 HG3 LYS A 68 -0.056 21.221 13.433 1.00 1.96 H new ATOM 0 HD2 LYS A 68 -1.676 20.412 11.554 1.00 2.24 H new ATOM 0 HD3 LYS A 68 -2.665 19.788 12.860 1.00 2.24 H new ATOM 0 HE2 LYS A 68 -2.912 22.107 13.760 1.00 2.88 H new ATOM 0 HE3 LYS A 68 -1.957 22.716 12.423 1.00 2.88 H new ATOM 0 HZ1 LYS A 68 -4.363 22.794 11.978 1.00 3.16 H new ATOM 0 HZ2 LYS A 68 -3.551 21.805 10.863 1.00 3.16 H new ATOM 0 HZ3 LYS A 68 -4.449 21.105 12.122 1.00 3.16 H new ATOM 1097 N ALA A 69 0.555 15.848 11.944 1.00 1.28 N ATOM 1098 CA ALA A 69 0.974 14.846 10.970 1.00 1.24 C ATOM 1099 C ALA A 69 -0.140 13.890 10.505 1.00 1.24 C ATOM 1100 O ALA A 69 0.037 13.303 9.439 1.00 1.33 O ATOM 1101 CB ALA A 69 2.224 14.138 11.492 1.00 1.38 C ATOM 0 H ALA A 69 0.862 15.654 12.897 1.00 1.28 H new ATOM 0 HA ALA A 69 1.226 15.365 10.045 1.00 1.24 H new ATOM 0 HB1 ALA A 69 2.545 13.387 10.770 1.00 1.38 H new ATOM 0 HB2 ALA A 69 3.022 14.867 11.636 1.00 1.38 H new ATOM 0 HB3 ALA A 69 1.998 13.655 12.443 1.00 1.38 H new ATOM 1107 N GLN A 70 -1.274 13.732 11.205 1.00 1.28 N ATOM 1108 CA GLN A 70 -2.402 12.957 10.651 1.00 1.39 C ATOM 1109 C GLN A 70 -3.113 13.671 9.485 1.00 1.39 C ATOM 1110 O GLN A 70 -3.533 13.005 8.545 1.00 1.70 O ATOM 1111 CB GLN A 70 -3.401 12.492 11.723 1.00 1.74 C ATOM 1112 CG GLN A 70 -4.013 13.610 12.567 1.00 2.65 C ATOM 1113 CD GLN A 70 -5.144 13.133 13.479 1.00 3.24 C ATOM 1114 OE1 GLN A 70 -4.969 12.963 14.673 1.00 3.25 O ATOM 1115 NE2 GLN A 70 -6.334 12.906 12.965 1.00 4.51 N ATOM 0 H GLN A 70 -1.436 14.119 12.135 1.00 1.28 H new ATOM 0 HA GLN A 70 -1.947 12.058 10.237 1.00 1.39 H new ATOM 0 HB2 GLN A 70 -4.207 11.945 11.234 1.00 1.74 H new ATOM 0 HB3 GLN A 70 -2.897 11.791 12.388 1.00 1.74 H new ATOM 0 HG2 GLN A 70 -3.232 14.064 13.177 1.00 2.65 H new ATOM 0 HG3 GLN A 70 -4.394 14.388 11.905 1.00 2.65 H new ATOM 0 HE21 GLN A 70 -6.493 13.045 11.967 1.00 4.51 H new ATOM 0 HE22 GLN A 70 -7.097 12.592 13.565 1.00 4.51 H new ATOM 1124 N GLU A 71 -3.199 15.008 9.481 1.00 1.32 N ATOM 1125 CA GLU A 71 -4.039 15.820 8.557 1.00 1.49 C ATOM 1126 C GLU A 71 -3.771 15.586 7.063 1.00 1.59 C ATOM 1127 O GLU A 71 -4.580 15.907 6.185 1.00 1.98 O ATOM 1128 CB GLU A 71 -3.831 17.319 8.833 1.00 1.59 C ATOM 1129 CG GLU A 71 -4.002 17.626 10.320 1.00 1.96 C ATOM 1130 CD GLU A 71 -4.220 19.112 10.612 1.00 2.66 C ATOM 1131 OE1 GLU A 71 -3.623 19.978 9.930 1.00 2.92 O ATOM 1132 OE2 GLU A 71 -4.892 19.433 11.611 1.00 3.77 O ATOM 0 H GLU A 71 -2.673 15.584 10.138 1.00 1.32 H new ATOM 0 HA GLU A 71 -5.060 15.496 8.759 1.00 1.49 H new ATOM 0 HB2 GLU A 71 -2.835 17.618 8.508 1.00 1.59 H new ATOM 0 HB3 GLU A 71 -4.545 17.903 8.252 1.00 1.59 H new ATOM 0 HG2 GLU A 71 -4.850 17.059 10.705 1.00 1.96 H new ATOM 0 HG3 GLU A 71 -3.118 17.283 10.858 1.00 1.96 H new ATOM 1139 N ARG A 72 -2.594 15.038 6.781 1.00 1.18 N ATOM 1140 CA ARG A 72 -2.147 14.654 5.448 1.00 1.19 C ATOM 1141 C ARG A 72 -1.952 13.139 5.243 1.00 1.42 C ATOM 1142 O ARG A 72 -1.484 12.789 4.170 1.00 1.59 O ATOM 1143 CB ARG A 72 -0.953 15.536 5.000 1.00 1.44 C ATOM 1144 CG ARG A 72 -0.041 16.112 6.100 1.00 1.26 C ATOM 1145 CD ARG A 72 0.638 15.043 6.952 1.00 1.90 C ATOM 1146 NE ARG A 72 1.793 14.462 6.271 1.00 3.35 N ATOM 1147 CZ ARG A 72 2.536 13.444 6.674 1.00 5.35 C ATOM 1148 NH1 ARG A 72 2.228 12.684 7.702 1.00 6.46 N ATOM 1149 NH2 ARG A 72 3.645 13.205 6.027 1.00 6.64 N ATOM 0 H ARG A 72 -1.900 14.842 7.502 1.00 1.18 H new ATOM 0 HA ARG A 72 -2.968 14.864 4.762 1.00 1.19 H new ATOM 0 HB2 ARG A 72 -0.334 14.946 4.325 1.00 1.44 H new ATOM 0 HB3 ARG A 72 -1.350 16.370 4.421 1.00 1.44 H new ATOM 0 HG2 ARG A 72 0.724 16.736 5.637 1.00 1.26 H new ATOM 0 HG3 ARG A 72 -0.632 16.760 6.748 1.00 1.26 H new ATOM 0 HD2 ARG A 72 0.956 15.480 7.899 1.00 1.90 H new ATOM 0 HD3 ARG A 72 -0.079 14.256 7.188 1.00 1.90 H new ATOM 0 HE ARG A 72 2.057 14.890 5.384 1.00 3.35 H new ATOM 0 HH11 ARG A 72 1.377 12.866 8.234 1.00 6.46 H new ATOM 0 HH12 ARG A 72 2.840 11.912 7.967 1.00 6.46 H new ATOM 0 HH21 ARG A 72 3.913 13.795 5.239 1.00 6.64 H new ATOM 0 HH22 ARG A 72 4.243 12.429 6.310 1.00 6.64 H new ATOM 1163 N VAL A 73 -2.315 12.224 6.151 1.00 1.27 N ATOM 1164 CA VAL A 73 -2.179 10.775 5.855 1.00 1.43 C ATOM 1165 C VAL A 73 -3.353 10.240 5.030 1.00 1.98 C ATOM 1166 O VAL A 73 -4.490 10.669 5.209 1.00 2.88 O ATOM 1167 CB VAL A 73 -1.942 9.848 7.076 1.00 2.01 C ATOM 1168 CG1 VAL A 73 -0.764 10.358 7.916 1.00 2.51 C ATOM 1169 CG2 VAL A 73 -3.172 9.599 7.962 1.00 4.26 C ATOM 0 H VAL A 73 -2.695 12.442 7.072 1.00 1.27 H new ATOM 0 HA VAL A 73 -1.259 10.738 5.271 1.00 1.43 H new ATOM 0 HB VAL A 73 -1.707 8.874 6.648 1.00 2.01 H new ATOM 0 HG11 VAL A 73 -0.612 9.696 8.769 1.00 2.51 H new ATOM 0 HG12 VAL A 73 0.138 10.376 7.305 1.00 2.51 H new ATOM 0 HG13 VAL A 73 -0.980 11.365 8.273 1.00 2.51 H new ATOM 0 HG21 VAL A 73 -2.899 8.939 8.786 1.00 4.26 H new ATOM 0 HG22 VAL A 73 -3.532 10.548 8.360 1.00 4.26 H new ATOM 0 HG23 VAL A 73 -3.959 9.133 7.369 1.00 4.26 H new ATOM 1179 N GLN A 74 -3.080 9.241 4.198 1.00 1.31 N ATOM 1180 CA GLN A 74 -4.051 8.242 3.772 1.00 1.45 C ATOM 1181 C GLN A 74 -3.304 6.898 3.683 1.00 1.25 C ATOM 1182 O GLN A 74 -2.101 6.893 3.441 1.00 1.24 O ATOM 1183 CB GLN A 74 -4.684 8.648 2.426 1.00 1.67 C ATOM 1184 CG GLN A 74 -6.131 8.164 2.248 1.00 2.35 C ATOM 1185 CD GLN A 74 -7.109 8.915 3.157 1.00 2.19 C ATOM 1186 OE1 GLN A 74 -7.315 10.110 3.053 1.00 2.80 O ATOM 1187 NE2 GLN A 74 -7.724 8.261 4.123 1.00 2.80 N ATOM 0 H GLN A 74 -2.155 9.101 3.792 1.00 1.31 H new ATOM 0 HA GLN A 74 -4.874 8.157 4.481 1.00 1.45 H new ATOM 0 HB2 GLN A 74 -4.661 9.734 2.338 1.00 1.67 H new ATOM 0 HB3 GLN A 74 -4.075 8.249 1.614 1.00 1.67 H new ATOM 0 HG2 GLN A 74 -6.431 8.295 1.208 1.00 2.35 H new ATOM 0 HG3 GLN A 74 -6.184 7.097 2.463 1.00 2.35 H new ATOM 0 HE21 GLN A 74 -7.573 7.259 4.237 1.00 2.80 H new ATOM 0 HE22 GLN A 74 -8.351 8.757 4.756 1.00 2.80 H new ATOM 1196 N VAL A 75 -3.976 5.757 3.861 1.00 1.27 N ATOM 1197 CA VAL A 75 -3.366 4.426 3.684 1.00 1.06 C ATOM 1198 C VAL A 75 -4.350 3.551 2.919 1.00 1.08 C ATOM 1199 O VAL A 75 -5.533 3.517 3.262 1.00 1.39 O ATOM 1200 CB VAL A 75 -3.002 3.760 5.029 1.00 1.24 C ATOM 1201 CG1 VAL A 75 -2.318 2.395 4.819 1.00 1.21 C ATOM 1202 CG2 VAL A 75 -2.079 4.656 5.871 1.00 1.58 C ATOM 0 H VAL A 75 -4.959 5.725 4.132 1.00 1.27 H new ATOM 0 HA VAL A 75 -2.434 4.543 3.131 1.00 1.06 H new ATOM 0 HB VAL A 75 -3.941 3.611 5.563 1.00 1.24 H new ATOM 0 HG11 VAL A 75 -2.076 1.956 5.787 1.00 1.21 H new ATOM 0 HG12 VAL A 75 -2.991 1.730 4.277 1.00 1.21 H new ATOM 0 HG13 VAL A 75 -1.402 2.532 4.244 1.00 1.21 H new ATOM 0 HG21 VAL A 75 -1.844 4.155 6.810 1.00 1.58 H new ATOM 0 HG22 VAL A 75 -1.158 4.848 5.321 1.00 1.58 H new ATOM 0 HG23 VAL A 75 -2.580 5.601 6.079 1.00 1.58 H new ATOM 1212 N ILE A 76 -3.866 2.877 1.872 1.00 0.71 N ATOM 1213 CA ILE A 76 -4.673 2.085 0.936 1.00 0.64 C ATOM 1214 C ILE A 76 -4.012 0.722 0.688 1.00 0.75 C ATOM 1215 O ILE A 76 -2.874 0.638 0.225 1.00 0.99 O ATOM 1216 CB ILE A 76 -4.843 2.852 -0.396 1.00 0.68 C ATOM 1217 CG1 ILE A 76 -5.499 4.248 -0.245 1.00 0.96 C ATOM 1218 CG2 ILE A 76 -5.628 2.009 -1.412 1.00 0.69 C ATOM 1219 CD1 ILE A 76 -6.966 4.255 0.189 1.00 1.72 C ATOM 0 H ILE A 76 -2.872 2.866 1.644 1.00 0.71 H new ATOM 0 HA ILE A 76 -5.658 1.918 1.372 1.00 0.64 H new ATOM 0 HB ILE A 76 -3.831 3.029 -0.761 1.00 0.68 H new ATOM 0 HG12 ILE A 76 -4.923 4.822 0.481 1.00 0.96 H new ATOM 0 HG13 ILE A 76 -5.420 4.770 -1.199 1.00 0.96 H new ATOM 0 HG21 ILE A 76 -5.736 2.567 -2.342 1.00 0.69 H new ATOM 0 HG22 ILE A 76 -5.091 1.081 -1.607 1.00 0.69 H new ATOM 0 HG23 ILE A 76 -6.615 1.780 -1.010 1.00 0.69 H new ATOM 0 HD11 ILE A 76 -7.319 5.284 0.262 1.00 1.72 H new ATOM 0 HD12 ILE A 76 -7.565 3.717 -0.545 1.00 1.72 H new ATOM 0 HD13 ILE A 76 -7.060 3.770 1.160 1.00 1.72 H new ATOM 1231 N PHE A 77 -4.762 -0.350 0.941 1.00 0.58 N ATOM 1232 CA PHE A 77 -4.382 -1.717 0.600 1.00 0.59 C ATOM 1233 C PHE A 77 -5.093 -2.120 -0.699 1.00 1.49 C ATOM 1234 O PHE A 77 -6.321 -2.197 -0.719 1.00 1.82 O ATOM 1235 CB PHE A 77 -4.755 -2.626 1.784 1.00 0.62 C ATOM 1236 CG PHE A 77 -4.440 -4.097 1.592 1.00 0.77 C ATOM 1237 CD1 PHE A 77 -3.103 -4.524 1.496 1.00 2.18 C ATOM 1238 CD2 PHE A 77 -5.479 -5.048 1.542 1.00 2.01 C ATOM 1239 CE1 PHE A 77 -2.802 -5.891 1.369 1.00 2.28 C ATOM 1240 CE2 PHE A 77 -5.182 -6.412 1.393 1.00 1.83 C ATOM 1241 CZ PHE A 77 -3.842 -6.837 1.313 1.00 0.97 C ATOM 0 H PHE A 77 -5.671 -0.289 1.399 1.00 0.58 H new ATOM 0 HA PHE A 77 -3.310 -1.810 0.426 1.00 0.59 H new ATOM 0 HB2 PHE A 77 -4.232 -2.272 2.672 1.00 0.62 H new ATOM 0 HB3 PHE A 77 -5.822 -2.522 1.979 1.00 0.62 H new ATOM 0 HD1 PHE A 77 -2.304 -3.798 1.520 1.00 2.18 H new ATOM 0 HD2 PHE A 77 -6.507 -4.726 1.619 1.00 2.01 H new ATOM 0 HE1 PHE A 77 -1.773 -6.215 1.314 1.00 2.28 H new ATOM 0 HE2 PHE A 77 -5.982 -7.136 1.340 1.00 1.83 H new ATOM 0 HZ PHE A 77 -3.613 -7.887 1.209 1.00 0.97 H new ATOM 1251 N VAL A 78 -4.344 -2.384 -1.767 1.00 0.70 N ATOM 1252 CA VAL A 78 -4.892 -2.875 -3.045 1.00 0.72 C ATOM 1253 C VAL A 78 -4.702 -4.392 -3.104 1.00 0.92 C ATOM 1254 O VAL A 78 -3.670 -4.918 -2.685 1.00 1.04 O ATOM 1255 CB VAL A 78 -4.269 -2.175 -4.280 1.00 0.79 C ATOM 1256 CG1 VAL A 78 -4.845 -2.689 -5.613 1.00 1.10 C ATOM 1257 CG2 VAL A 78 -4.550 -0.664 -4.227 1.00 1.25 C ATOM 0 H VAL A 78 -3.331 -2.265 -1.778 1.00 0.70 H new ATOM 0 HA VAL A 78 -5.954 -2.630 -3.082 1.00 0.72 H new ATOM 0 HB VAL A 78 -3.202 -2.395 -4.242 1.00 0.79 H new ATOM 0 HG11 VAL A 78 -4.371 -2.162 -6.441 1.00 1.10 H new ATOM 0 HG12 VAL A 78 -4.652 -3.758 -5.705 1.00 1.10 H new ATOM 0 HG13 VAL A 78 -5.920 -2.511 -5.638 1.00 1.10 H new ATOM 0 HG21 VAL A 78 -4.108 -0.181 -5.099 1.00 1.25 H new ATOM 0 HG22 VAL A 78 -5.627 -0.494 -4.224 1.00 1.25 H new ATOM 0 HG23 VAL A 78 -4.114 -0.244 -3.320 1.00 1.25 H new ATOM 1267 N SER A 79 -5.722 -5.100 -3.577 1.00 0.97 N ATOM 1268 CA SER A 79 -5.672 -6.556 -3.721 1.00 1.01 C ATOM 1269 C SER A 79 -4.753 -7.029 -4.872 1.00 1.25 C ATOM 1270 O SER A 79 -4.122 -6.224 -5.558 1.00 2.02 O ATOM 1271 CB SER A 79 -7.088 -7.124 -3.849 1.00 1.43 C ATOM 1272 OG SER A 79 -7.645 -6.881 -5.126 1.00 3.08 O ATOM 0 H SER A 79 -6.606 -4.685 -3.872 1.00 0.97 H new ATOM 0 HA SER A 79 -5.217 -6.952 -2.813 1.00 1.01 H new ATOM 0 HB2 SER A 79 -7.066 -8.198 -3.662 1.00 1.43 H new ATOM 0 HB3 SER A 79 -7.727 -6.680 -3.085 1.00 1.43 H new ATOM 0 HG SER A 79 -8.528 -7.301 -5.183 1.00 3.08 H new ATOM 1278 N VAL A 80 -4.662 -8.347 -5.085 1.00 0.90 N ATOM 1279 CA VAL A 80 -3.912 -8.971 -6.191 1.00 0.90 C ATOM 1280 C VAL A 80 -4.729 -10.084 -6.855 1.00 1.33 C ATOM 1281 O VAL A 80 -4.779 -10.141 -8.081 1.00 1.55 O ATOM 1282 CB VAL A 80 -2.569 -9.543 -5.695 1.00 0.80 C ATOM 1283 CG1 VAL A 80 -1.873 -10.348 -6.797 1.00 2.36 C ATOM 1284 CG2 VAL A 80 -1.604 -8.436 -5.230 1.00 1.78 C ATOM 0 H VAL A 80 -5.118 -9.030 -4.480 1.00 0.90 H new ATOM 0 HA VAL A 80 -3.715 -8.192 -6.928 1.00 0.90 H new ATOM 0 HB VAL A 80 -2.809 -10.188 -4.850 1.00 0.80 H new ATOM 0 HG11 VAL A 80 -0.928 -10.740 -6.420 1.00 2.36 H new ATOM 0 HG12 VAL A 80 -2.513 -11.176 -7.102 1.00 2.36 H new ATOM 0 HG13 VAL A 80 -1.682 -9.702 -7.654 1.00 2.36 H new ATOM 0 HG21 VAL A 80 -0.671 -8.886 -4.889 1.00 1.78 H new ATOM 0 HG22 VAL A 80 -1.399 -7.760 -6.060 1.00 1.78 H new ATOM 0 HG23 VAL A 80 -2.058 -7.878 -4.411 1.00 1.78 H new ATOM 1294 N ASP A 81 -5.396 -10.940 -6.065 1.00 1.06 N ATOM 1295 CA ASP A 81 -6.265 -12.012 -6.575 1.00 1.10 C ATOM 1296 C ASP A 81 -7.770 -11.682 -6.367 1.00 1.15 C ATOM 1297 O ASP A 81 -8.420 -12.277 -5.497 1.00 1.43 O ATOM 1298 CB ASP A 81 -5.841 -13.346 -5.924 1.00 1.31 C ATOM 1299 CG ASP A 81 -4.414 -13.782 -6.300 1.00 2.92 C ATOM 1300 OD1 ASP A 81 -4.243 -14.299 -7.432 1.00 3.88 O ATOM 1301 OD2 ASP A 81 -3.517 -13.613 -5.435 1.00 4.15 O ATOM 0 H ASP A 81 -5.347 -10.907 -5.047 1.00 1.06 H new ATOM 0 HA ASP A 81 -6.142 -12.104 -7.654 1.00 1.10 H new ATOM 0 HB2 ASP A 81 -5.911 -13.251 -4.840 1.00 1.31 H new ATOM 0 HB3 ASP A 81 -6.542 -14.126 -6.222 1.00 1.31 H new ATOM 1306 N PRO A 82 -8.373 -10.755 -7.153 1.00 1.00 N ATOM 1307 CA PRO A 82 -9.784 -10.368 -7.020 1.00 1.08 C ATOM 1308 C PRO A 82 -10.755 -11.486 -7.426 1.00 1.31 C ATOM 1309 O PRO A 82 -11.908 -11.463 -7.008 1.00 1.54 O ATOM 1310 CB PRO A 82 -9.959 -9.134 -7.910 1.00 1.37 C ATOM 1311 CG PRO A 82 -8.927 -9.357 -9.009 1.00 1.48 C ATOM 1312 CD PRO A 82 -7.772 -9.996 -8.244 1.00 1.22 C ATOM 0 HA PRO A 82 -10.022 -10.161 -5.977 1.00 1.08 H new ATOM 0 HB2 PRO A 82 -10.970 -9.066 -8.313 1.00 1.37 H new ATOM 0 HB3 PRO A 82 -9.772 -8.211 -7.362 1.00 1.37 H new ATOM 0 HG2 PRO A 82 -9.305 -10.010 -9.795 1.00 1.48 H new ATOM 0 HG3 PRO A 82 -8.632 -8.422 -9.486 1.00 1.48 H new ATOM 0 HD2 PRO A 82 -7.188 -10.647 -8.895 1.00 1.22 H new ATOM 0 HD3 PRO A 82 -7.092 -9.235 -7.860 1.00 1.22 H new ATOM 1320 N GLU A 83 -10.288 -12.506 -8.156 1.00 1.44 N ATOM 1321 CA GLU A 83 -11.009 -13.762 -8.398 1.00 1.76 C ATOM 1322 C GLU A 83 -11.338 -14.549 -7.111 1.00 1.81 C ATOM 1323 O GLU A 83 -12.009 -15.578 -7.191 1.00 2.34 O ATOM 1324 CB GLU A 83 -10.174 -14.641 -9.337 1.00 2.00 C ATOM 1325 CG GLU A 83 -10.042 -14.066 -10.752 1.00 2.70 C ATOM 1326 CD GLU A 83 -8.939 -14.829 -11.466 1.00 3.04 C ATOM 1327 OE1 GLU A 83 -9.148 -16.006 -11.839 1.00 3.03 O ATOM 1328 OE2 GLU A 83 -7.792 -14.334 -11.469 1.00 3.79 O ATOM 0 H GLU A 83 -9.373 -12.480 -8.607 1.00 1.44 H new ATOM 0 HA GLU A 83 -11.966 -13.497 -8.847 1.00 1.76 H new ATOM 0 HB2 GLU A 83 -9.179 -14.771 -8.911 1.00 2.00 H new ATOM 0 HB3 GLU A 83 -10.628 -15.630 -9.396 1.00 2.00 H new ATOM 0 HG2 GLU A 83 -10.984 -14.162 -11.292 1.00 2.70 H new ATOM 0 HG3 GLU A 83 -9.805 -13.003 -10.711 1.00 2.70 H new ATOM 1335 N ARG A 84 -10.887 -14.093 -5.933 1.00 1.43 N ATOM 1336 CA ARG A 84 -11.289 -14.670 -4.643 1.00 1.53 C ATOM 1337 C ARG A 84 -11.244 -13.695 -3.459 1.00 1.58 C ATOM 1338 O ARG A 84 -11.856 -13.994 -2.440 1.00 1.82 O ATOM 1339 CB ARG A 84 -10.479 -15.954 -4.375 1.00 1.69 C ATOM 1340 CG ARG A 84 -11.198 -16.923 -3.412 1.00 2.01 C ATOM 1341 CD ARG A 84 -10.703 -16.855 -1.964 1.00 2.44 C ATOM 1342 NE ARG A 84 -9.447 -17.601 -1.797 1.00 2.87 N ATOM 1343 CZ ARG A 84 -8.865 -17.902 -0.646 1.00 4.34 C ATOM 1344 NH1 ARG A 84 -9.302 -17.435 0.508 1.00 5.40 N ATOM 1345 NH2 ARG A 84 -7.825 -18.709 -0.666 1.00 5.52 N ATOM 0 H ARG A 84 -10.234 -13.314 -5.849 1.00 1.43 H new ATOM 0 HA ARG A 84 -12.347 -14.919 -4.729 1.00 1.53 H new ATOM 0 HB2 ARG A 84 -10.289 -16.462 -5.320 1.00 1.69 H new ATOM 0 HB3 ARG A 84 -9.509 -15.686 -3.957 1.00 1.69 H new ATOM 0 HG2 ARG A 84 -12.266 -16.708 -3.429 1.00 2.01 H new ATOM 0 HG3 ARG A 84 -11.072 -17.942 -3.779 1.00 2.01 H new ATOM 0 HD2 ARG A 84 -10.552 -15.814 -1.677 1.00 2.44 H new ATOM 0 HD3 ARG A 84 -11.463 -17.263 -1.297 1.00 2.44 H new ATOM 0 HE ARG A 84 -8.980 -17.916 -2.647 1.00 2.87 H new ATOM 0 HH11 ARG A 84 -10.115 -16.819 0.534 1.00 5.40 H new ATOM 0 HH12 ARG A 84 -8.827 -17.690 1.374 1.00 5.40 H new ATOM 0 HH21 ARG A 84 -7.488 -19.085 -1.552 1.00 5.52 H new ATOM 0 HH22 ARG A 84 -7.356 -18.959 0.205 1.00 5.52 H new ATOM 1359 N ASP A 85 -10.568 -12.549 -3.556 1.00 1.16 N ATOM 1360 CA ASP A 85 -10.566 -11.511 -2.516 1.00 1.12 C ATOM 1361 C ASP A 85 -11.555 -10.380 -2.874 1.00 1.38 C ATOM 1362 O ASP A 85 -11.215 -9.540 -3.709 1.00 1.70 O ATOM 1363 CB ASP A 85 -9.131 -10.966 -2.343 1.00 1.07 C ATOM 1364 CG ASP A 85 -8.889 -10.391 -0.944 1.00 1.34 C ATOM 1365 OD1 ASP A 85 -9.854 -9.971 -0.271 1.00 2.67 O ATOM 1366 OD2 ASP A 85 -7.714 -10.445 -0.513 1.00 1.74 O ATOM 0 H ASP A 85 -9.999 -12.310 -4.368 1.00 1.16 H new ATOM 0 HA ASP A 85 -10.894 -11.943 -1.571 1.00 1.12 H new ATOM 0 HB2 ASP A 85 -8.416 -11.767 -2.532 1.00 1.07 H new ATOM 0 HB3 ASP A 85 -8.947 -10.192 -3.088 1.00 1.07 H new ATOM 1371 N PRO A 86 -12.783 -10.327 -2.320 1.00 0.91 N ATOM 1372 CA PRO A 86 -13.737 -9.258 -2.620 1.00 1.02 C ATOM 1373 C PRO A 86 -13.397 -7.965 -1.849 1.00 1.17 C ATOM 1374 O PRO A 86 -12.758 -8.047 -0.795 1.00 1.02 O ATOM 1375 CB PRO A 86 -15.106 -9.821 -2.223 1.00 0.94 C ATOM 1376 CG PRO A 86 -14.759 -10.753 -1.066 1.00 0.85 C ATOM 1377 CD PRO A 86 -13.410 -11.338 -1.484 1.00 0.80 C ATOM 0 HA PRO A 86 -13.714 -8.974 -3.672 1.00 1.02 H new ATOM 0 HB2 PRO A 86 -15.795 -9.034 -1.917 1.00 0.94 H new ATOM 0 HB3 PRO A 86 -15.579 -10.356 -3.047 1.00 0.94 H new ATOM 0 HG2 PRO A 86 -14.689 -10.214 -0.121 1.00 0.85 H new ATOM 0 HG3 PRO A 86 -15.512 -11.530 -0.935 1.00 0.85 H new ATOM 0 HD2 PRO A 86 -12.794 -11.562 -0.613 1.00 0.80 H new ATOM 0 HD3 PRO A 86 -13.541 -12.272 -2.031 1.00 0.80 H new ATOM 1385 N PRO A 87 -13.857 -6.782 -2.325 1.00 0.91 N ATOM 1386 CA PRO A 87 -13.509 -5.470 -1.772 1.00 0.98 C ATOM 1387 C PRO A 87 -13.630 -5.379 -0.255 1.00 1.12 C ATOM 1388 O PRO A 87 -12.746 -4.817 0.389 1.00 1.12 O ATOM 1389 CB PRO A 87 -14.434 -4.444 -2.443 1.00 1.00 C ATOM 1390 CG PRO A 87 -15.323 -5.239 -3.402 1.00 1.07 C ATOM 1391 CD PRO A 87 -14.640 -6.597 -3.540 1.00 0.97 C ATOM 0 HA PRO A 87 -12.456 -5.278 -1.979 1.00 0.98 H new ATOM 0 HB2 PRO A 87 -15.034 -3.917 -1.702 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -13.857 -3.691 -2.980 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -16.334 -5.344 -3.008 1.00 1.07 H new ATOM 0 HG3 PRO A 87 -15.408 -4.740 -4.367 1.00 1.07 H new ATOM 0 HD2 PRO A 87 -15.376 -7.393 -3.654 1.00 0.97 H new ATOM 0 HD3 PRO A 87 -14.001 -6.624 -4.423 1.00 0.97 H new ATOM 1399 N GLU A 88 -14.700 -5.937 0.316 1.00 0.79 N ATOM 1400 CA GLU A 88 -14.926 -5.870 1.754 1.00 0.85 C ATOM 1401 C GLU A 88 -13.961 -6.729 2.580 1.00 1.19 C ATOM 1402 O GLU A 88 -13.653 -6.351 3.699 1.00 1.39 O ATOM 1403 CB GLU A 88 -16.372 -6.267 2.074 1.00 0.85 C ATOM 1404 CG GLU A 88 -16.870 -5.507 3.309 1.00 1.73 C ATOM 1405 CD GLU A 88 -17.877 -6.332 4.095 1.00 2.32 C ATOM 1406 OE1 GLU A 88 -18.862 -6.774 3.477 1.00 2.46 O ATOM 1407 OE2 GLU A 88 -17.655 -6.504 5.318 1.00 3.80 O ATOM 0 H GLU A 88 -15.422 -6.440 -0.200 1.00 0.79 H new ATOM 0 HA GLU A 88 -14.736 -4.836 2.040 1.00 0.85 H new ATOM 0 HB2 GLU A 88 -17.014 -6.049 1.221 1.00 0.85 H new ATOM 0 HB3 GLU A 88 -16.431 -7.341 2.251 1.00 0.85 H new ATOM 0 HG2 GLU A 88 -16.025 -5.255 3.949 1.00 1.73 H new ATOM 0 HG3 GLU A 88 -17.328 -4.567 3.000 1.00 1.73 H new ATOM 1414 N VAL A 89 -13.493 -7.873 2.069 1.00 0.92 N ATOM 1415 CA VAL A 89 -12.627 -8.806 2.821 1.00 0.94 C ATOM 1416 C VAL A 89 -11.216 -8.229 2.964 1.00 1.08 C ATOM 1417 O VAL A 89 -10.685 -8.194 4.075 1.00 0.92 O ATOM 1418 CB VAL A 89 -12.647 -10.218 2.195 1.00 0.98 C ATOM 1419 CG1 VAL A 89 -11.558 -11.159 2.730 1.00 1.20 C ATOM 1420 CG2 VAL A 89 -14.011 -10.877 2.473 1.00 1.12 C ATOM 0 H VAL A 89 -13.701 -8.184 1.120 1.00 0.92 H new ATOM 0 HA VAL A 89 -13.024 -8.921 3.830 1.00 0.94 H new ATOM 0 HB VAL A 89 -12.461 -10.074 1.131 1.00 0.98 H new ATOM 0 HG11 VAL A 89 -11.642 -12.129 2.239 1.00 1.20 H new ATOM 0 HG12 VAL A 89 -10.576 -10.733 2.525 1.00 1.20 H new ATOM 0 HG13 VAL A 89 -11.682 -11.285 3.806 1.00 1.20 H new ATOM 0 HG21 VAL A 89 -14.030 -11.874 2.033 1.00 1.12 H new ATOM 0 HG22 VAL A 89 -14.166 -10.952 3.549 1.00 1.12 H new ATOM 0 HG23 VAL A 89 -14.804 -10.272 2.034 1.00 1.12 H new ATOM 1430 N ALA A 90 -10.657 -7.680 1.875 1.00 0.94 N ATOM 1431 CA ALA A 90 -9.467 -6.830 1.923 1.00 0.86 C ATOM 1432 C ALA A 90 -9.613 -5.644 2.900 1.00 0.91 C ATOM 1433 O ALA A 90 -8.660 -5.325 3.612 1.00 1.00 O ATOM 1434 CB ALA A 90 -9.171 -6.371 0.486 1.00 0.89 C ATOM 0 H ALA A 90 -11.023 -7.817 0.933 1.00 0.94 H new ATOM 0 HA ALA A 90 -8.626 -7.401 2.316 1.00 0.86 H new ATOM 0 HB1 ALA A 90 -8.287 -5.733 0.483 1.00 0.89 H new ATOM 0 HB2 ALA A 90 -8.992 -7.242 -0.145 1.00 0.89 H new ATOM 0 HB3 ALA A 90 -10.023 -5.812 0.100 1.00 0.89 H new ATOM 1440 N ASP A 91 -10.787 -5.006 2.970 1.00 0.77 N ATOM 1441 CA ASP A 91 -11.056 -3.888 3.883 1.00 0.76 C ATOM 1442 C ASP A 91 -11.177 -4.311 5.352 1.00 1.12 C ATOM 1443 O ASP A 91 -10.518 -3.709 6.195 1.00 1.14 O ATOM 1444 CB ASP A 91 -12.297 -3.122 3.419 1.00 0.81 C ATOM 1445 CG ASP A 91 -12.526 -1.879 4.276 1.00 0.84 C ATOM 1446 OD1 ASP A 91 -11.713 -0.931 4.181 1.00 1.60 O ATOM 1447 OD2 ASP A 91 -13.480 -1.851 5.083 1.00 1.80 O ATOM 0 H ASP A 91 -11.587 -5.254 2.388 1.00 0.77 H new ATOM 0 HA ASP A 91 -10.189 -3.229 3.843 1.00 0.76 H new ATOM 0 HB2 ASP A 91 -12.180 -2.832 2.375 1.00 0.81 H new ATOM 0 HB3 ASP A 91 -13.171 -3.771 3.473 1.00 0.81 H new ATOM 1452 N ARG A 92 -11.954 -5.360 5.662 1.00 0.85 N ATOM 1453 CA ARG A 92 -12.075 -5.954 7.004 1.00 0.98 C ATOM 1454 C ARG A 92 -10.695 -6.276 7.571 1.00 1.32 C ATOM 1455 O ARG A 92 -10.407 -5.996 8.735 1.00 1.57 O ATOM 1456 CB ARG A 92 -12.870 -7.274 6.947 1.00 1.21 C ATOM 1457 CG ARG A 92 -14.312 -7.165 6.429 1.00 1.35 C ATOM 1458 CD ARG A 92 -15.369 -7.627 7.430 1.00 1.43 C ATOM 1459 NE ARG A 92 -15.498 -6.678 8.552 1.00 2.14 N ATOM 1460 CZ ARG A 92 -16.478 -5.794 8.716 1.00 3.08 C ATOM 1461 NH1 ARG A 92 -17.473 -5.651 7.870 1.00 3.40 N ATOM 1462 NH2 ARG A 92 -16.454 -5.016 9.777 1.00 4.57 N ATOM 0 H ARG A 92 -12.532 -5.832 4.967 1.00 0.85 H new ATOM 0 HA ARG A 92 -12.589 -5.229 7.634 1.00 0.98 H new ATOM 0 HB2 ARG A 92 -12.328 -7.975 6.312 1.00 1.21 H new ATOM 0 HB3 ARG A 92 -12.895 -7.704 7.948 1.00 1.21 H new ATOM 0 HG2 ARG A 92 -14.512 -6.128 6.158 1.00 1.35 H new ATOM 0 HG3 ARG A 92 -14.406 -7.757 5.518 1.00 1.35 H new ATOM 0 HD2 ARG A 92 -16.330 -7.729 6.926 1.00 1.43 H new ATOM 0 HD3 ARG A 92 -15.103 -8.612 7.813 1.00 1.43 H new ATOM 0 HE ARG A 92 -14.770 -6.702 9.266 1.00 2.14 H new ATOM 0 HH11 ARG A 92 -17.521 -6.236 7.036 1.00 3.40 H new ATOM 0 HH12 ARG A 92 -18.198 -4.955 8.048 1.00 3.40 H new ATOM 0 HH21 ARG A 92 -15.694 -5.098 10.453 1.00 4.57 H new ATOM 0 HH22 ARG A 92 -17.195 -4.331 9.924 1.00 4.57 H new ATOM 1476 N TYR A 93 -9.847 -6.861 6.730 1.00 0.92 N ATOM 1477 CA TYR A 93 -8.469 -7.207 7.058 1.00 0.95 C ATOM 1478 C TYR A 93 -7.607 -5.986 7.418 1.00 1.09 C ATOM 1479 O TYR A 93 -6.974 -5.971 8.473 1.00 1.28 O ATOM 1480 CB TYR A 93 -7.864 -7.965 5.875 1.00 1.00 C ATOM 1481 CG TYR A 93 -6.449 -8.421 6.140 1.00 1.32 C ATOM 1482 CD1 TYR A 93 -6.198 -9.277 7.225 1.00 1.69 C ATOM 1483 CD2 TYR A 93 -5.389 -7.954 5.338 1.00 2.85 C ATOM 1484 CE1 TYR A 93 -4.884 -9.684 7.510 1.00 1.78 C ATOM 1485 CE2 TYR A 93 -4.069 -8.356 5.620 1.00 3.33 C ATOM 1486 CZ TYR A 93 -3.820 -9.217 6.712 1.00 2.24 C ATOM 1487 OH TYR A 93 -2.553 -9.591 7.006 1.00 2.85 O ATOM 0 H TYR A 93 -10.107 -7.114 5.777 1.00 0.92 H new ATOM 0 HA TYR A 93 -8.482 -7.833 7.950 1.00 0.95 H new ATOM 0 HB2 TYR A 93 -8.485 -8.832 5.648 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -7.876 -7.324 4.993 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -7.016 -9.622 7.840 1.00 1.69 H new ATOM 0 HD2 TYR A 93 -5.588 -7.290 4.510 1.00 2.85 H new ATOM 0 HE1 TYR A 93 -4.690 -10.352 8.337 1.00 1.78 H new ATOM 0 HE2 TYR A 93 -3.252 -8.008 5.005 1.00 3.33 H new ATOM 0 HH TYR A 93 -2.525 -9.969 7.910 1.00 2.85 H new ATOM 1497 N ALA A 94 -7.614 -4.944 6.585 1.00 0.74 N ATOM 1498 CA ALA A 94 -6.927 -3.682 6.882 1.00 0.70 C ATOM 1499 C ALA A 94 -7.456 -3.015 8.172 1.00 0.96 C ATOM 1500 O ALA A 94 -6.676 -2.544 9.007 1.00 1.00 O ATOM 1501 CB ALA A 94 -7.060 -2.785 5.646 1.00 0.67 C ATOM 0 H ALA A 94 -8.095 -4.949 5.686 1.00 0.74 H new ATOM 0 HA ALA A 94 -5.872 -3.866 7.087 1.00 0.70 H new ATOM 0 HB1 ALA A 94 -6.559 -1.835 5.831 1.00 0.67 H new ATOM 0 HB2 ALA A 94 -6.600 -3.277 4.789 1.00 0.67 H new ATOM 0 HB3 ALA A 94 -8.115 -2.605 5.439 1.00 0.67 H new ATOM 1507 N LYS A 95 -8.779 -3.059 8.374 1.00 0.95 N ATOM 1508 CA LYS A 95 -9.477 -2.578 9.571 1.00 1.21 C ATOM 1509 C LYS A 95 -9.076 -3.324 10.846 1.00 1.46 C ATOM 1510 O LYS A 95 -8.988 -2.696 11.901 1.00 1.64 O ATOM 1511 CB LYS A 95 -10.999 -2.711 9.367 1.00 1.56 C ATOM 1512 CG LYS A 95 -11.812 -1.494 9.826 1.00 2.01 C ATOM 1513 CD LYS A 95 -11.705 -0.304 8.857 1.00 1.62 C ATOM 1514 CE LYS A 95 -12.260 -0.680 7.479 1.00 2.02 C ATOM 1515 NZ LYS A 95 -12.192 0.432 6.516 1.00 1.52 N ATOM 0 H LYS A 95 -9.417 -3.447 7.679 1.00 0.95 H new ATOM 0 HA LYS A 95 -9.188 -1.535 9.705 1.00 1.21 H new ATOM 0 HB2 LYS A 95 -11.197 -2.886 8.310 1.00 1.56 H new ATOM 0 HB3 LYS A 95 -11.350 -3.591 9.907 1.00 1.56 H new ATOM 0 HG2 LYS A 95 -12.859 -1.780 9.928 1.00 2.01 H new ATOM 0 HG3 LYS A 95 -11.468 -1.185 10.813 1.00 2.01 H new ATOM 0 HD2 LYS A 95 -12.255 0.548 9.257 1.00 1.62 H new ATOM 0 HD3 LYS A 95 -10.664 0.004 8.764 1.00 1.62 H new ATOM 0 HE2 LYS A 95 -11.701 -1.530 7.086 1.00 2.02 H new ATOM 0 HE3 LYS A 95 -13.296 -1.001 7.584 1.00 2.02 H new ATOM 0 HZ1 LYS A 95 -12.335 0.066 5.553 1.00 1.52 H new ATOM 0 HZ2 LYS A 95 -12.933 1.128 6.736 1.00 1.52 H new ATOM 0 HZ3 LYS A 95 -11.260 0.888 6.578 1.00 1.52 H new ATOM 1529 N ALA A 96 -8.832 -4.640 10.760 1.00 1.28 N ATOM 1530 CA ALA A 96 -8.430 -5.466 11.901 1.00 1.41 C ATOM 1531 C ALA A 96 -7.090 -5.032 12.509 1.00 1.41 C ATOM 1532 O ALA A 96 -6.849 -5.298 13.684 1.00 1.70 O ATOM 1533 CB ALA A 96 -8.390 -6.934 11.454 1.00 1.47 C ATOM 0 H ALA A 96 -8.910 -5.163 9.887 1.00 1.28 H new ATOM 0 HA ALA A 96 -9.166 -5.337 12.694 1.00 1.41 H new ATOM 0 HB1 ALA A 96 -8.092 -7.562 12.294 1.00 1.47 H new ATOM 0 HB2 ALA A 96 -9.378 -7.236 11.108 1.00 1.47 H new ATOM 0 HB3 ALA A 96 -7.671 -7.048 10.643 1.00 1.47 H new ATOM 1539 N PHE A 97 -6.246 -4.337 11.733 1.00 1.17 N ATOM 1540 CA PHE A 97 -5.059 -3.646 12.239 1.00 1.13 C ATOM 1541 C PHE A 97 -5.354 -2.204 12.643 1.00 1.91 C ATOM 1542 O PHE A 97 -4.864 -1.743 13.677 1.00 2.21 O ATOM 1543 CB PHE A 97 -3.947 -3.726 11.182 1.00 1.14 C ATOM 1544 CG PHE A 97 -3.348 -5.107 11.212 1.00 1.27 C ATOM 1545 CD1 PHE A 97 -2.421 -5.412 12.221 1.00 2.14 C ATOM 1546 CD2 PHE A 97 -3.863 -6.126 10.393 1.00 2.59 C ATOM 1547 CE1 PHE A 97 -2.042 -6.744 12.448 1.00 2.11 C ATOM 1548 CE2 PHE A 97 -3.493 -7.462 10.623 1.00 2.66 C ATOM 1549 CZ PHE A 97 -2.603 -7.771 11.668 1.00 1.54 C ATOM 0 H PHE A 97 -6.373 -4.240 10.726 1.00 1.17 H new ATOM 0 HA PHE A 97 -4.727 -4.144 13.150 1.00 1.13 H new ATOM 0 HB2 PHE A 97 -4.351 -3.511 10.193 1.00 1.14 H new ATOM 0 HB3 PHE A 97 -3.180 -2.978 11.383 1.00 1.14 H new ATOM 0 HD1 PHE A 97 -1.999 -4.621 12.823 1.00 2.14 H new ATOM 0 HD2 PHE A 97 -4.542 -5.883 9.589 1.00 2.59 H new ATOM 0 HE1 PHE A 97 -1.323 -6.979 13.218 1.00 2.11 H new ATOM 0 HE2 PHE A 97 -3.891 -8.249 10.000 1.00 2.66 H new ATOM 0 HZ PHE A 97 -2.350 -8.801 11.872 1.00 1.54 H new ATOM 1559 N HIS A 98 -6.141 -1.479 11.846 1.00 1.23 N ATOM 1560 CA HIS A 98 -6.377 -0.058 12.074 1.00 1.25 C ATOM 1561 C HIS A 98 -7.656 0.458 11.377 1.00 1.67 C ATOM 1562 O HIS A 98 -7.792 0.271 10.167 1.00 1.77 O ATOM 1563 CB HIS A 98 -5.128 0.661 11.561 1.00 1.44 C ATOM 1564 CG HIS A 98 -5.106 2.136 11.845 1.00 1.60 C ATOM 1565 ND1 HIS A 98 -4.933 3.125 10.907 1.00 2.03 N ATOM 1566 CD2 HIS A 98 -5.172 2.746 13.068 1.00 2.19 C ATOM 1567 CE1 HIS A 98 -4.889 4.303 11.546 1.00 2.64 C ATOM 1568 NE2 HIS A 98 -5.082 4.121 12.859 1.00 2.79 N ATOM 0 H HIS A 98 -6.627 -1.858 11.033 1.00 1.23 H new ATOM 0 HA HIS A 98 -6.546 0.134 13.134 1.00 1.25 H new ATOM 0 HB2 HIS A 98 -4.248 0.203 12.012 1.00 1.44 H new ATOM 0 HB3 HIS A 98 -5.051 0.508 10.484 1.00 1.44 H new ATOM 0 HD1 HIS A 98 -4.852 2.987 9.900 1.00 2.03 H new ATOM 0 HD2 HIS A 98 -5.275 2.251 14.023 1.00 2.19 H new ATOM 0 HE1 HIS A 98 -4.722 5.259 11.071 1.00 2.64 H new ATOM 1577 N PRO A 99 -8.584 1.138 12.083 1.00 1.50 N ATOM 1578 CA PRO A 99 -9.881 1.518 11.522 1.00 1.80 C ATOM 1579 C PRO A 99 -9.807 2.610 10.446 1.00 1.94 C ATOM 1580 O PRO A 99 -10.684 2.675 9.591 1.00 2.06 O ATOM 1581 CB PRO A 99 -10.738 1.949 12.717 1.00 2.06 C ATOM 1582 CG PRO A 99 -9.709 2.428 13.741 1.00 1.97 C ATOM 1583 CD PRO A 99 -8.537 1.479 13.499 1.00 1.60 C ATOM 0 HA PRO A 99 -10.314 0.672 10.989 1.00 1.80 H new ATOM 0 HB2 PRO A 99 -11.434 2.743 12.446 1.00 2.06 H new ATOM 0 HB3 PRO A 99 -11.333 1.121 13.103 1.00 2.06 H new ATOM 0 HG2 PRO A 99 -9.429 3.469 13.579 1.00 1.97 H new ATOM 0 HG3 PRO A 99 -10.087 2.355 14.761 1.00 1.97 H new ATOM 0 HD2 PRO A 99 -7.590 1.955 13.755 1.00 1.60 H new ATOM 0 HD3 PRO A 99 -8.623 0.586 14.119 1.00 1.60 H new ATOM 1591 N SER A 100 -8.760 3.441 10.437 1.00 1.73 N ATOM 1592 CA SER A 100 -8.570 4.458 9.390 1.00 1.95 C ATOM 1593 C SER A 100 -7.906 3.913 8.105 1.00 1.77 C ATOM 1594 O SER A 100 -7.477 4.708 7.264 1.00 1.90 O ATOM 1595 CB SER A 100 -7.811 5.661 9.973 1.00 2.30 C ATOM 1596 OG SER A 100 -7.754 6.723 9.041 1.00 2.72 O ATOM 0 H SER A 100 -8.026 3.431 11.145 1.00 1.73 H new ATOM 0 HA SER A 100 -9.559 4.783 9.067 1.00 1.95 H new ATOM 0 HB2 SER A 100 -8.303 5.999 10.885 1.00 2.30 H new ATOM 0 HB3 SER A 100 -6.800 5.359 10.249 1.00 2.30 H new ATOM 0 HG SER A 100 -7.591 6.363 8.144 1.00 2.72 H new ATOM 1602 N PHE A 101 -7.802 2.589 7.918 1.00 1.28 N ATOM 1603 CA PHE A 101 -7.288 2.007 6.673 1.00 1.00 C ATOM 1604 C PHE A 101 -8.450 1.589 5.765 1.00 1.97 C ATOM 1605 O PHE A 101 -9.520 1.222 6.252 1.00 2.47 O ATOM 1606 CB PHE A 101 -6.392 0.794 6.971 1.00 0.86 C ATOM 1607 CG PHE A 101 -5.039 1.028 7.627 1.00 1.14 C ATOM 1608 CD1 PHE A 101 -4.526 2.320 7.876 1.00 2.37 C ATOM 1609 CD2 PHE A 101 -4.254 -0.097 7.946 1.00 1.96 C ATOM 1610 CE1 PHE A 101 -3.241 2.475 8.424 1.00 2.70 C ATOM 1611 CE2 PHE A 101 -2.966 0.063 8.487 1.00 1.95 C ATOM 1612 CZ PHE A 101 -2.457 1.350 8.718 1.00 2.00 C ATOM 0 H PHE A 101 -8.070 1.898 8.619 1.00 1.28 H new ATOM 0 HA PHE A 101 -6.691 2.762 6.162 1.00 1.00 H new ATOM 0 HB2 PHE A 101 -6.956 0.115 7.611 1.00 0.86 H new ATOM 0 HB3 PHE A 101 -6.217 0.273 6.030 1.00 0.86 H new ATOM 0 HD1 PHE A 101 -5.122 3.190 7.645 1.00 2.37 H new ATOM 0 HD2 PHE A 101 -4.644 -1.089 7.774 1.00 1.96 H new ATOM 0 HE1 PHE A 101 -2.856 3.465 8.620 1.00 2.70 H new ATOM 0 HE2 PHE A 101 -2.369 -0.805 8.725 1.00 1.95 H new ATOM 0 HZ PHE A 101 -1.463 1.474 9.122 1.00 2.00 H new ATOM 1622 N LEU A 102 -8.225 1.623 4.447 1.00 0.80 N ATOM 1623 CA LEU A 102 -9.189 1.184 3.428 1.00 0.74 C ATOM 1624 C LEU A 102 -8.591 0.064 2.564 1.00 0.90 C ATOM 1625 O LEU A 102 -7.452 0.185 2.108 1.00 1.13 O ATOM 1626 CB LEU A 102 -9.606 2.428 2.620 1.00 0.86 C ATOM 1627 CG LEU A 102 -10.469 2.206 1.361 1.00 1.23 C ATOM 1628 CD1 LEU A 102 -11.787 1.466 1.639 1.00 1.38 C ATOM 1629 CD2 LEU A 102 -10.797 3.573 0.744 1.00 2.03 C ATOM 0 H LEU A 102 -7.350 1.963 4.049 1.00 0.80 H new ATOM 0 HA LEU A 102 -10.081 0.750 3.881 1.00 0.74 H new ATOM 0 HB2 LEU A 102 -10.151 3.095 3.288 1.00 0.86 H new ATOM 0 HB3 LEU A 102 -8.699 2.952 2.318 1.00 0.86 H new ATOM 0 HG LEU A 102 -9.888 1.578 0.685 1.00 1.23 H new ATOM 0 HD11 LEU A 102 -12.340 1.346 0.708 1.00 1.38 H new ATOM 0 HD12 LEU A 102 -11.571 0.485 2.062 1.00 1.38 H new ATOM 0 HD13 LEU A 102 -12.385 2.042 2.345 1.00 1.38 H new ATOM 0 HD21 LEU A 102 -11.407 3.433 -0.148 1.00 2.03 H new ATOM 0 HD22 LEU A 102 -11.345 4.177 1.467 1.00 2.03 H new ATOM 0 HD23 LEU A 102 -9.872 4.082 0.474 1.00 2.03 H new ATOM 1641 N GLY A 103 -9.364 -1.002 2.342 1.00 0.60 N ATOM 1642 CA GLY A 103 -9.059 -2.081 1.396 1.00 0.60 C ATOM 1643 C GLY A 103 -9.841 -1.928 0.090 1.00 0.69 C ATOM 1644 O GLY A 103 -11.033 -1.614 0.106 1.00 0.78 O ATOM 0 H GLY A 103 -10.248 -1.143 2.831 1.00 0.60 H new ATOM 0 HA2 GLY A 103 -7.990 -2.085 1.182 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -9.297 -3.042 1.852 1.00 0.60 H new ATOM 1648 N LEU A 104 -9.157 -2.152 -1.035 1.00 0.55 N ATOM 1649 CA LEU A 104 -9.690 -2.023 -2.394 1.00 0.56 C ATOM 1650 C LEU A 104 -9.474 -3.322 -3.194 1.00 1.12 C ATOM 1651 O LEU A 104 -8.358 -3.818 -3.344 1.00 1.38 O ATOM 1652 CB LEU A 104 -9.037 -0.813 -3.093 1.00 0.58 C ATOM 1653 CG LEU A 104 -9.246 0.559 -2.409 1.00 0.69 C ATOM 1654 CD1 LEU A 104 -8.504 1.662 -3.179 1.00 0.79 C ATOM 1655 CD2 LEU A 104 -10.724 0.966 -2.314 1.00 1.21 C ATOM 0 H LEU A 104 -8.178 -2.439 -1.024 1.00 0.55 H new ATOM 0 HA LEU A 104 -10.765 -1.853 -2.342 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -7.966 -0.998 -3.171 1.00 0.58 H new ATOM 0 HB3 LEU A 104 -9.425 -0.753 -4.110 1.00 0.58 H new ATOM 0 HG LEU A 104 -8.852 0.449 -1.399 1.00 0.69 H new ATOM 0 HD11 LEU A 104 -8.662 2.620 -2.684 1.00 0.79 H new ATOM 0 HD12 LEU A 104 -7.438 1.436 -3.201 1.00 0.79 H new ATOM 0 HD13 LEU A 104 -8.885 1.713 -4.199 1.00 0.79 H new ATOM 0 HD21 LEU A 104 -10.803 1.937 -1.825 1.00 1.21 H new ATOM 0 HD22 LEU A 104 -11.149 1.029 -3.316 1.00 1.21 H new ATOM 0 HD23 LEU A 104 -11.270 0.222 -1.734 1.00 1.21 H new ATOM 1667 N SER A 105 -10.560 -3.900 -3.694 1.00 0.55 N ATOM 1668 CA SER A 105 -10.564 -5.017 -4.644 1.00 0.57 C ATOM 1669 C SER A 105 -11.794 -4.898 -5.556 1.00 0.84 C ATOM 1670 O SER A 105 -12.773 -4.267 -5.158 1.00 1.11 O ATOM 1671 CB SER A 105 -10.582 -6.353 -3.895 1.00 0.64 C ATOM 1672 OG SER A 105 -10.228 -7.420 -4.756 1.00 0.95 O ATOM 0 H SER A 105 -11.500 -3.595 -3.442 1.00 0.55 H new ATOM 0 HA SER A 105 -9.659 -4.980 -5.251 1.00 0.57 H new ATOM 0 HB2 SER A 105 -9.889 -6.313 -3.055 1.00 0.64 H new ATOM 0 HB3 SER A 105 -11.575 -6.529 -3.481 1.00 0.64 H new ATOM 0 HG SER A 105 -10.320 -8.270 -4.278 1.00 0.95 H new ATOM 1678 N GLY A 106 -11.812 -5.533 -6.730 1.00 0.76 N ATOM 1679 CA GLY A 106 -12.960 -5.463 -7.639 1.00 0.91 C ATOM 1680 C GLY A 106 -12.604 -5.836 -9.062 1.00 0.84 C ATOM 1681 O GLY A 106 -11.929 -6.840 -9.273 1.00 1.04 O ATOM 0 H GLY A 106 -11.041 -6.104 -7.075 1.00 0.76 H new ATOM 0 HA2 GLY A 106 -13.744 -6.129 -7.279 1.00 0.91 H new ATOM 0 HA3 GLY A 106 -13.368 -4.453 -7.624 1.00 0.91 H new ATOM 1685 N SER A 107 -13.043 -5.033 -10.032 1.00 0.70 N ATOM 1686 CA SER A 107 -12.686 -5.214 -11.444 1.00 1.00 C ATOM 1687 C SER A 107 -11.179 -5.517 -11.625 1.00 1.00 C ATOM 1688 O SER A 107 -10.328 -4.693 -11.246 1.00 1.02 O ATOM 1689 CB SER A 107 -13.126 -4.001 -12.277 1.00 1.37 C ATOM 1690 OG SER A 107 -12.333 -3.773 -13.434 1.00 2.18 O ATOM 0 H SER A 107 -13.657 -4.237 -9.863 1.00 0.70 H new ATOM 0 HA SER A 107 -13.226 -6.086 -11.812 1.00 1.00 H new ATOM 0 HB2 SER A 107 -14.163 -4.140 -12.582 1.00 1.37 H new ATOM 0 HB3 SER A 107 -13.096 -3.111 -11.648 1.00 1.37 H new ATOM 0 HG SER A 107 -12.564 -4.430 -14.124 1.00 2.18 H new ATOM 1696 N PRO A 108 -10.823 -6.683 -12.206 1.00 0.96 N ATOM 1697 CA PRO A 108 -9.435 -7.053 -12.459 1.00 1.12 C ATOM 1698 C PRO A 108 -8.779 -6.135 -13.497 1.00 1.31 C ATOM 1699 O PRO A 108 -7.559 -6.021 -13.499 1.00 1.17 O ATOM 1700 CB PRO A 108 -9.459 -8.520 -12.897 1.00 1.25 C ATOM 1701 CG PRO A 108 -10.858 -8.697 -13.475 1.00 1.16 C ATOM 1702 CD PRO A 108 -11.711 -7.754 -12.638 1.00 1.05 C ATOM 0 HA PRO A 108 -8.824 -6.933 -11.564 1.00 1.12 H new ATOM 0 HB2 PRO A 108 -8.689 -8.730 -13.639 1.00 1.25 H new ATOM 0 HB3 PRO A 108 -9.284 -9.192 -12.057 1.00 1.25 H new ATOM 0 HG2 PRO A 108 -10.891 -8.436 -14.533 1.00 1.16 H new ATOM 0 HG3 PRO A 108 -11.200 -9.729 -13.391 1.00 1.16 H new ATOM 0 HD2 PRO A 108 -12.543 -7.359 -13.221 1.00 1.05 H new ATOM 0 HD3 PRO A 108 -12.141 -8.274 -11.781 1.00 1.05 H new ATOM 1710 N GLU A 109 -9.564 -5.433 -14.321 1.00 0.95 N ATOM 1711 CA GLU A 109 -9.111 -4.357 -15.208 1.00 0.95 C ATOM 1712 C GLU A 109 -8.653 -3.144 -14.385 1.00 1.15 C ATOM 1713 O GLU A 109 -7.559 -2.627 -14.607 1.00 1.39 O ATOM 1714 CB GLU A 109 -10.225 -3.917 -16.183 1.00 1.08 C ATOM 1715 CG GLU A 109 -10.879 -5.030 -17.020 1.00 1.20 C ATOM 1716 CD GLU A 109 -11.678 -6.043 -16.195 1.00 1.98 C ATOM 1717 OE1 GLU A 109 -12.242 -5.653 -15.140 1.00 3.04 O ATOM 1718 OE2 GLU A 109 -11.634 -7.230 -16.563 1.00 2.78 O ATOM 0 H GLU A 109 -10.567 -5.605 -14.391 1.00 0.95 H new ATOM 0 HA GLU A 109 -8.275 -4.746 -15.790 1.00 0.95 H new ATOM 0 HB2 GLU A 109 -11.005 -3.418 -15.608 1.00 1.08 H new ATOM 0 HB3 GLU A 109 -9.809 -3.176 -16.865 1.00 1.08 H new ATOM 0 HG2 GLU A 109 -11.541 -4.575 -17.757 1.00 1.20 H new ATOM 0 HG3 GLU A 109 -10.102 -5.559 -17.572 1.00 1.20 H new ATOM 1725 N ALA A 110 -9.455 -2.727 -13.394 1.00 0.85 N ATOM 1726 CA ALA A 110 -9.145 -1.647 -12.451 1.00 0.80 C ATOM 1727 C ALA A 110 -7.967 -2.007 -11.530 1.00 0.93 C ATOM 1728 O ALA A 110 -7.024 -1.224 -11.401 1.00 0.94 O ATOM 1729 CB ALA A 110 -10.424 -1.344 -11.654 1.00 0.82 C ATOM 0 H ALA A 110 -10.368 -3.148 -13.223 1.00 0.85 H new ATOM 0 HA ALA A 110 -8.826 -0.759 -12.996 1.00 0.80 H new ATOM 0 HB1 ALA A 110 -10.227 -0.543 -10.941 1.00 0.82 H new ATOM 0 HB2 ALA A 110 -11.214 -1.035 -12.338 1.00 0.82 H new ATOM 0 HB3 ALA A 110 -10.738 -2.239 -11.116 1.00 0.82 H new ATOM 1735 N VAL A 111 -7.950 -3.220 -10.967 1.00 0.75 N ATOM 1736 CA VAL A 111 -6.771 -3.751 -10.253 1.00 0.73 C ATOM 1737 C VAL A 111 -5.537 -3.700 -11.169 1.00 1.18 C ATOM 1738 O VAL A 111 -4.462 -3.270 -10.746 1.00 1.08 O ATOM 1739 CB VAL A 111 -7.018 -5.186 -9.724 1.00 0.74 C ATOM 1740 CG1 VAL A 111 -5.753 -5.862 -9.172 1.00 1.14 C ATOM 1741 CG2 VAL A 111 -8.083 -5.181 -8.608 1.00 1.12 C ATOM 0 H VAL A 111 -8.743 -3.861 -10.990 1.00 0.75 H new ATOM 0 HA VAL A 111 -6.588 -3.121 -9.382 1.00 0.73 H new ATOM 0 HB VAL A 111 -7.359 -5.757 -10.588 1.00 0.74 H new ATOM 0 HG11 VAL A 111 -6.000 -6.863 -8.819 1.00 1.14 H new ATOM 0 HG12 VAL A 111 -5.003 -5.930 -9.960 1.00 1.14 H new ATOM 0 HG13 VAL A 111 -5.357 -5.273 -8.344 1.00 1.14 H new ATOM 0 HG21 VAL A 111 -8.241 -6.199 -8.251 1.00 1.12 H new ATOM 0 HG22 VAL A 111 -7.742 -4.556 -7.783 1.00 1.12 H new ATOM 0 HG23 VAL A 111 -9.020 -4.785 -9.001 1.00 1.12 H new ATOM 1751 N ARG A 112 -5.690 -4.074 -12.447 1.00 0.77 N ATOM 1752 CA ARG A 112 -4.606 -4.045 -13.432 1.00 0.79 C ATOM 1753 C ARG A 112 -4.184 -2.620 -13.828 1.00 1.09 C ATOM 1754 O ARG A 112 -2.998 -2.428 -14.105 1.00 1.26 O ATOM 1755 CB ARG A 112 -4.969 -4.926 -14.630 1.00 0.77 C ATOM 1756 CG ARG A 112 -3.820 -5.025 -15.635 1.00 1.46 C ATOM 1757 CD ARG A 112 -4.007 -6.234 -16.547 1.00 1.89 C ATOM 1758 NE ARG A 112 -2.930 -6.282 -17.549 1.00 2.78 N ATOM 1759 CZ ARG A 112 -2.555 -7.313 -18.284 1.00 3.77 C ATOM 1760 NH1 ARG A 112 -3.149 -8.486 -18.203 1.00 4.34 N ATOM 1761 NH2 ARG A 112 -1.549 -7.156 -19.115 1.00 4.81 N ATOM 0 H ARG A 112 -6.576 -4.407 -12.826 1.00 0.77 H new ATOM 0 HA ARG A 112 -3.715 -4.465 -12.966 1.00 0.79 H new ATOM 0 HB2 ARG A 112 -5.232 -5.924 -14.280 1.00 0.77 H new ATOM 0 HB3 ARG A 112 -5.851 -4.519 -15.126 1.00 0.77 H new ATOM 0 HG2 ARG A 112 -3.774 -4.115 -16.233 1.00 1.46 H new ATOM 0 HG3 ARG A 112 -2.871 -5.106 -15.104 1.00 1.46 H new ATOM 0 HD2 ARG A 112 -4.005 -7.149 -15.955 1.00 1.89 H new ATOM 0 HD3 ARG A 112 -4.975 -6.178 -17.045 1.00 1.89 H new ATOM 0 HE ARG A 112 -2.411 -5.416 -17.693 1.00 2.78 H new ATOM 0 HH11 ARG A 112 -3.926 -8.620 -17.556 1.00 4.34 H new ATOM 0 HH12 ARG A 112 -2.832 -9.260 -18.787 1.00 4.34 H new ATOM 0 HH21 ARG A 112 -1.078 -6.254 -19.181 1.00 4.81 H new ATOM 0 HH22 ARG A 112 -1.239 -7.936 -19.694 1.00 4.81 H new ATOM 1775 N GLU A 113 -5.071 -1.624 -13.803 1.00 0.78 N ATOM 1776 CA GLU A 113 -4.735 -0.203 -13.858 1.00 0.85 C ATOM 1777 C GLU A 113 -3.691 0.141 -12.781 1.00 1.07 C ATOM 1778 O GLU A 113 -2.560 0.500 -13.112 1.00 1.08 O ATOM 1779 CB GLU A 113 -6.033 0.618 -13.667 1.00 1.04 C ATOM 1780 CG GLU A 113 -6.341 1.607 -14.798 1.00 1.95 C ATOM 1781 CD GLU A 113 -6.621 3.037 -14.314 1.00 3.79 C ATOM 1782 OE1 GLU A 113 -7.111 3.200 -13.180 1.00 5.19 O ATOM 1783 OE2 GLU A 113 -6.435 4.007 -15.079 1.00 4.64 O ATOM 0 H GLU A 113 -6.075 -1.791 -13.742 1.00 0.78 H new ATOM 0 HA GLU A 113 -4.297 0.042 -14.825 1.00 0.85 H new ATOM 0 HB2 GLU A 113 -6.871 -0.072 -13.568 1.00 1.04 H new ATOM 0 HB3 GLU A 113 -5.962 1.170 -12.730 1.00 1.04 H new ATOM 0 HG2 GLU A 113 -5.499 1.626 -15.490 1.00 1.95 H new ATOM 0 HG3 GLU A 113 -7.205 1.247 -15.357 1.00 1.95 H new ATOM 1790 N ALA A 114 -4.031 -0.069 -11.505 1.00 0.65 N ATOM 1791 CA ALA A 114 -3.161 0.252 -10.368 1.00 0.62 C ATOM 1792 C ALA A 114 -1.830 -0.503 -10.425 1.00 0.87 C ATOM 1793 O ALA A 114 -0.768 0.081 -10.190 1.00 0.98 O ATOM 1794 CB ALA A 114 -3.926 -0.051 -9.075 1.00 0.66 C ATOM 0 H ALA A 114 -4.927 -0.471 -11.229 1.00 0.65 H new ATOM 0 HA ALA A 114 -2.902 1.310 -10.405 1.00 0.62 H new ATOM 0 HB1 ALA A 114 -3.296 0.181 -8.216 1.00 0.66 H new ATOM 0 HB2 ALA A 114 -4.830 0.557 -9.036 1.00 0.66 H new ATOM 0 HB3 ALA A 114 -4.197 -1.107 -9.051 1.00 0.66 H new ATOM 1800 N ALA A 115 -1.876 -1.782 -10.795 1.00 0.58 N ATOM 1801 CA ALA A 115 -0.695 -2.619 -10.918 1.00 0.63 C ATOM 1802 C ALA A 115 0.249 -2.119 -12.020 1.00 0.88 C ATOM 1803 O ALA A 115 1.432 -1.899 -11.762 1.00 0.98 O ATOM 1804 CB ALA A 115 -1.162 -4.052 -11.174 1.00 0.71 C ATOM 0 H ALA A 115 -2.745 -2.266 -11.019 1.00 0.58 H new ATOM 0 HA ALA A 115 -0.115 -2.578 -9.996 1.00 0.63 H new ATOM 0 HB1 ALA A 115 -0.295 -4.705 -11.271 1.00 0.71 H new ATOM 0 HB2 ALA A 115 -1.778 -4.388 -10.340 1.00 0.71 H new ATOM 0 HB3 ALA A 115 -1.746 -4.085 -12.094 1.00 0.71 H new ATOM 1810 N GLN A 116 -0.253 -1.909 -13.241 1.00 0.72 N ATOM 1811 CA GLN A 116 0.575 -1.485 -14.376 1.00 0.80 C ATOM 1812 C GLN A 116 1.144 -0.081 -14.170 1.00 1.19 C ATOM 1813 O GLN A 116 2.302 0.148 -14.530 1.00 1.32 O ATOM 1814 CB GLN A 116 -0.235 -1.556 -15.683 1.00 0.91 C ATOM 1815 CG GLN A 116 -0.507 -3.007 -16.123 1.00 1.15 C ATOM 1816 CD GLN A 116 -1.352 -3.136 -17.397 1.00 2.17 C ATOM 1817 OE1 GLN A 116 -1.245 -4.105 -18.139 1.00 2.54 O ATOM 1818 NE2 GLN A 116 -2.266 -2.236 -17.691 1.00 3.47 N ATOM 0 H GLN A 116 -1.240 -2.027 -13.470 1.00 0.72 H new ATOM 0 HA GLN A 116 1.419 -2.171 -14.445 1.00 0.80 H new ATOM 0 HB2 GLN A 116 -1.183 -1.035 -15.549 1.00 0.91 H new ATOM 0 HB3 GLN A 116 0.306 -1.035 -16.472 1.00 0.91 H new ATOM 0 HG2 GLN A 116 0.447 -3.510 -16.282 1.00 1.15 H new ATOM 0 HG3 GLN A 116 -1.013 -3.531 -15.312 1.00 1.15 H new ATOM 0 HE21 GLN A 116 -2.384 -1.416 -17.096 1.00 3.47 H new ATOM 0 HE22 GLN A 116 -2.856 -2.359 -18.514 1.00 3.47 H new ATOM 1827 N THR A 117 0.378 0.822 -13.545 1.00 0.77 N ATOM 1828 CA THR A 117 0.815 2.195 -13.242 1.00 0.78 C ATOM 1829 C THR A 117 1.982 2.195 -12.260 1.00 1.00 C ATOM 1830 O THR A 117 2.947 2.936 -12.458 1.00 0.95 O ATOM 1831 CB THR A 117 -0.378 3.015 -12.723 1.00 0.85 C ATOM 1832 OG1 THR A 117 -1.223 3.268 -13.818 1.00 1.26 O ATOM 1833 CG2 THR A 117 0.023 4.380 -12.163 1.00 1.04 C ATOM 0 H THR A 117 -0.572 0.620 -13.232 1.00 0.77 H new ATOM 0 HA THR A 117 1.177 2.666 -14.156 1.00 0.78 H new ATOM 0 HB THR A 117 -0.844 2.440 -11.923 1.00 0.85 H new ATOM 0 HG1 THR A 117 -1.865 2.533 -13.913 1.00 1.26 H new ATOM 0 HG21 THR A 117 -0.866 4.906 -11.814 1.00 1.04 H new ATOM 0 HG22 THR A 117 0.713 4.243 -11.331 1.00 1.04 H new ATOM 0 HG23 THR A 117 0.508 4.966 -12.944 1.00 1.04 H new ATOM 1841 N PHE A 118 1.890 1.412 -11.183 1.00 0.68 N ATOM 1842 CA PHE A 118 2.947 1.242 -10.181 1.00 0.71 C ATOM 1843 C PHE A 118 4.123 0.342 -10.631 1.00 1.76 C ATOM 1844 O PHE A 118 5.203 0.442 -10.053 1.00 2.07 O ATOM 1845 CB PHE A 118 2.299 0.812 -8.851 1.00 0.72 C ATOM 1846 CG PHE A 118 1.646 1.966 -8.089 1.00 0.82 C ATOM 1847 CD1 PHE A 118 0.599 2.725 -8.652 1.00 1.96 C ATOM 1848 CD2 PHE A 118 2.134 2.325 -6.819 1.00 2.00 C ATOM 1849 CE1 PHE A 118 0.095 3.853 -7.982 1.00 1.91 C ATOM 1850 CE2 PHE A 118 1.596 3.423 -6.126 1.00 1.97 C ATOM 1851 CZ PHE A 118 0.592 4.199 -6.715 1.00 1.08 C ATOM 0 H PHE A 118 1.055 0.863 -10.977 1.00 0.68 H new ATOM 0 HA PHE A 118 3.440 2.204 -10.038 1.00 0.71 H new ATOM 0 HB2 PHE A 118 1.547 0.049 -9.052 1.00 0.72 H new ATOM 0 HB3 PHE A 118 3.058 0.353 -8.218 1.00 0.72 H new ATOM 0 HD1 PHE A 118 0.181 2.437 -9.605 1.00 1.96 H new ATOM 0 HD2 PHE A 118 2.931 1.750 -6.372 1.00 2.00 H new ATOM 0 HE1 PHE A 118 -0.675 4.454 -8.442 1.00 1.91 H new ATOM 0 HE2 PHE A 118 1.958 3.668 -5.138 1.00 1.97 H new ATOM 0 HZ PHE A 118 0.200 5.062 -6.197 1.00 1.08 H new ATOM 1861 N GLY A 119 3.946 -0.513 -11.651 1.00 0.77 N ATOM 1862 CA GLY A 119 4.943 -1.508 -12.093 1.00 0.80 C ATOM 1863 C GLY A 119 4.865 -2.846 -11.348 1.00 0.81 C ATOM 1864 O GLY A 119 5.838 -3.595 -11.326 1.00 0.91 O ATOM 0 H GLY A 119 3.089 -0.534 -12.204 1.00 0.77 H new ATOM 0 HA2 GLY A 119 4.811 -1.690 -13.160 1.00 0.80 H new ATOM 0 HA3 GLY A 119 5.941 -1.089 -11.962 1.00 0.80 H new ATOM 1868 N VAL A 120 3.721 -3.144 -10.735 1.00 0.65 N ATOM 1869 CA VAL A 120 3.458 -4.348 -9.923 1.00 0.62 C ATOM 1870 C VAL A 120 3.013 -5.500 -10.825 1.00 0.78 C ATOM 1871 O VAL A 120 2.184 -5.316 -11.717 1.00 0.95 O ATOM 1872 CB VAL A 120 2.384 -4.048 -8.848 1.00 0.73 C ATOM 1873 CG1 VAL A 120 1.763 -5.282 -8.171 1.00 0.83 C ATOM 1874 CG2 VAL A 120 2.975 -3.127 -7.775 1.00 1.32 C ATOM 0 H VAL A 120 2.909 -2.529 -10.789 1.00 0.65 H new ATOM 0 HA VAL A 120 4.377 -4.640 -9.415 1.00 0.62 H new ATOM 0 HB VAL A 120 1.567 -3.570 -9.388 1.00 0.73 H new ATOM 0 HG11 VAL A 120 1.025 -4.961 -7.436 1.00 0.83 H new ATOM 0 HG12 VAL A 120 1.279 -5.905 -8.923 1.00 0.83 H new ATOM 0 HG13 VAL A 120 2.545 -5.856 -7.673 1.00 0.83 H new ATOM 0 HG21 VAL A 120 2.218 -2.917 -7.019 1.00 1.32 H new ATOM 0 HG22 VAL A 120 3.830 -3.615 -7.307 1.00 1.32 H new ATOM 0 HG23 VAL A 120 3.298 -2.193 -8.235 1.00 1.32 H new ATOM 1884 N PHE A 121 3.534 -6.701 -10.557 1.00 0.68 N ATOM 1885 CA PHE A 121 3.217 -7.922 -11.290 1.00 0.72 C ATOM 1886 C PHE A 121 2.970 -9.115 -10.355 1.00 1.54 C ATOM 1887 O PHE A 121 3.505 -9.195 -9.246 1.00 1.59 O ATOM 1888 CB PHE A 121 4.324 -8.209 -12.320 1.00 0.78 C ATOM 1889 CG PHE A 121 5.717 -8.360 -11.734 1.00 0.89 C ATOM 1890 CD1 PHE A 121 6.168 -9.625 -11.309 1.00 1.85 C ATOM 1891 CD2 PHE A 121 6.554 -7.236 -11.603 1.00 2.37 C ATOM 1892 CE1 PHE A 121 7.451 -9.765 -10.750 1.00 1.89 C ATOM 1893 CE2 PHE A 121 7.837 -7.376 -11.045 1.00 2.32 C ATOM 1894 CZ PHE A 121 8.286 -8.641 -10.621 1.00 1.16 C ATOM 0 H PHE A 121 4.205 -6.851 -9.804 1.00 0.68 H new ATOM 0 HA PHE A 121 2.279 -7.769 -11.824 1.00 0.72 H new ATOM 0 HB2 PHE A 121 4.071 -9.122 -12.859 1.00 0.78 H new ATOM 0 HB3 PHE A 121 4.339 -7.401 -13.051 1.00 0.78 H new ATOM 0 HD1 PHE A 121 5.528 -10.489 -11.413 1.00 1.85 H new ATOM 0 HD2 PHE A 121 6.211 -6.266 -11.931 1.00 2.37 H new ATOM 0 HE1 PHE A 121 7.794 -10.734 -10.420 1.00 1.89 H new ATOM 0 HE2 PHE A 121 8.478 -6.513 -10.942 1.00 2.32 H new ATOM 0 HZ PHE A 121 9.273 -8.748 -10.196 1.00 1.16 H new ATOM 1904 N TYR A 122 2.132 -10.032 -10.828 1.00 0.91 N ATOM 1905 CA TYR A 122 1.706 -11.254 -10.149 1.00 1.02 C ATOM 1906 C TYR A 122 1.529 -12.412 -11.147 1.00 1.45 C ATOM 1907 O TYR A 122 1.094 -12.187 -12.282 1.00 1.47 O ATOM 1908 CB TYR A 122 0.416 -10.973 -9.358 1.00 1.03 C ATOM 1909 CG TYR A 122 -0.788 -10.488 -10.157 1.00 1.06 C ATOM 1910 CD1 TYR A 122 -0.847 -9.156 -10.621 1.00 1.90 C ATOM 1911 CD2 TYR A 122 -1.887 -11.343 -10.374 1.00 2.06 C ATOM 1912 CE1 TYR A 122 -1.968 -8.695 -11.336 1.00 1.98 C ATOM 1913 CE2 TYR A 122 -3.025 -10.884 -11.066 1.00 2.19 C ATOM 1914 CZ TYR A 122 -3.063 -9.557 -11.559 1.00 1.45 C ATOM 1915 OH TYR A 122 -4.149 -9.108 -12.248 1.00 1.79 O ATOM 0 H TYR A 122 1.706 -9.938 -11.750 1.00 0.91 H new ATOM 0 HA TYR A 122 2.480 -11.566 -9.448 1.00 1.02 H new ATOM 0 HB2 TYR A 122 0.132 -11.887 -8.836 1.00 1.03 H new ATOM 0 HB3 TYR A 122 0.641 -10.227 -8.596 1.00 1.03 H new ATOM 0 HD1 TYR A 122 -0.024 -8.484 -10.425 1.00 1.90 H new ATOM 0 HD2 TYR A 122 -1.857 -12.358 -10.007 1.00 2.06 H new ATOM 0 HE1 TYR A 122 -1.990 -7.683 -11.713 1.00 1.98 H new ATOM 0 HE2 TYR A 122 -3.867 -11.543 -11.220 1.00 2.19 H new ATOM 0 HH TYR A 122 -4.813 -9.825 -12.315 1.00 1.79 H new ATOM 1925 N GLN A 123 1.841 -13.648 -10.749 1.00 1.32 N ATOM 1926 CA GLN A 123 1.593 -14.849 -11.554 1.00 1.46 C ATOM 1927 C GLN A 123 1.135 -16.008 -10.664 1.00 1.71 C ATOM 1928 O GLN A 123 1.774 -16.322 -9.662 1.00 2.24 O ATOM 1929 CB GLN A 123 2.841 -15.264 -12.360 1.00 1.54 C ATOM 1930 CG GLN A 123 3.260 -14.247 -13.435 1.00 2.18 C ATOM 1931 CD GLN A 123 4.225 -14.844 -14.462 1.00 2.63 C ATOM 1932 OE1 GLN A 123 5.425 -14.911 -14.274 1.00 3.39 O ATOM 1933 NE2 GLN A 123 3.750 -15.310 -15.601 1.00 3.59 N ATOM 0 H GLN A 123 2.278 -13.846 -9.849 1.00 1.32 H new ATOM 0 HA GLN A 123 0.801 -14.607 -12.263 1.00 1.46 H new ATOM 0 HB2 GLN A 123 3.673 -15.412 -11.671 1.00 1.54 H new ATOM 0 HB3 GLN A 123 2.649 -16.224 -12.839 1.00 1.54 H new ATOM 0 HG2 GLN A 123 2.372 -13.878 -13.948 1.00 2.18 H new ATOM 0 HG3 GLN A 123 3.730 -13.389 -12.955 1.00 2.18 H new ATOM 0 HE21 GLN A 123 2.749 -15.269 -15.791 1.00 3.59 H new ATOM 0 HE22 GLN A 123 4.384 -15.711 -16.292 1.00 3.59 H new ATOM 1942 N LYS A 124 0.057 -16.696 -11.059 1.00 1.46 N ATOM 1943 CA LYS A 124 -0.478 -17.854 -10.321 1.00 1.46 C ATOM 1944 C LYS A 124 -0.293 -19.184 -11.069 1.00 1.52 C ATOM 1945 O LYS A 124 -0.297 -19.230 -12.298 1.00 1.84 O ATOM 1946 CB LYS A 124 -1.934 -17.586 -9.912 1.00 1.62 C ATOM 1947 CG LYS A 124 -2.951 -17.551 -11.059 1.00 1.70 C ATOM 1948 CD LYS A 124 -4.312 -17.110 -10.506 1.00 1.92 C ATOM 1949 CE LYS A 124 -5.400 -17.241 -11.574 1.00 2.46 C ATOM 1950 NZ LYS A 124 -6.687 -16.723 -11.068 1.00 2.84 N ATOM 0 H LYS A 124 -0.472 -16.468 -11.901 1.00 1.46 H new ATOM 0 HA LYS A 124 0.109 -17.974 -9.410 1.00 1.46 H new ATOM 0 HB2 LYS A 124 -2.240 -18.355 -9.203 1.00 1.62 H new ATOM 0 HB3 LYS A 124 -1.975 -16.632 -9.386 1.00 1.62 H new ATOM 0 HG2 LYS A 124 -2.619 -16.862 -11.836 1.00 1.70 H new ATOM 0 HG3 LYS A 124 -3.033 -18.535 -11.520 1.00 1.70 H new ATOM 0 HD2 LYS A 124 -4.572 -17.718 -9.639 1.00 1.92 H new ATOM 0 HD3 LYS A 124 -4.253 -16.076 -10.165 1.00 1.92 H new ATOM 0 HE2 LYS A 124 -5.107 -16.692 -12.469 1.00 2.46 H new ATOM 0 HE3 LYS A 124 -5.510 -18.286 -11.863 1.00 2.46 H new ATOM 0 HZ1 LYS A 124 -7.461 -17.071 -11.669 1.00 2.84 H new ATOM 0 HZ2 LYS A 124 -6.833 -17.050 -10.091 1.00 2.84 H new ATOM 0 HZ3 LYS A 124 -6.674 -15.683 -11.087 1.00 2.84 H new ATOM 2120 N VAL A 135 0.382 -18.516 -5.772 1.00 1.99 N ATOM 2121 CA VAL A 135 0.516 -17.202 -6.408 1.00 1.86 C ATOM 2122 C VAL A 135 1.828 -16.581 -5.943 1.00 2.09 C ATOM 2123 O VAL A 135 2.083 -16.547 -4.736 1.00 2.04 O ATOM 2124 CB VAL A 135 -0.652 -16.244 -6.040 1.00 1.96 C ATOM 2125 CG1 VAL A 135 -0.596 -14.986 -6.925 1.00 2.75 C ATOM 2126 CG2 VAL A 135 -2.032 -16.923 -6.144 1.00 2.34 C ATOM 0 HA VAL A 135 0.496 -17.343 -7.489 1.00 1.86 H new ATOM 0 HB VAL A 135 -0.524 -15.960 -4.996 1.00 1.96 H new ATOM 0 HG11 VAL A 135 -1.417 -14.319 -6.662 1.00 2.75 H new ATOM 0 HG12 VAL A 135 0.353 -14.473 -6.768 1.00 2.75 H new ATOM 0 HG13 VAL A 135 -0.684 -15.274 -7.973 1.00 2.75 H new ATOM 0 HG21 VAL A 135 -2.810 -16.208 -5.876 1.00 2.34 H new ATOM 0 HG22 VAL A 135 -2.192 -17.268 -7.166 1.00 2.34 H new ATOM 0 HG23 VAL A 135 -2.071 -17.774 -5.464 1.00 2.34 H new ATOM 2136 N ASP A 136 2.623 -16.081 -6.885 1.00 1.85 N ATOM 2137 CA ASP A 136 3.697 -15.130 -6.618 1.00 1.75 C ATOM 2138 C ASP A 136 3.197 -13.719 -6.939 1.00 1.47 C ATOM 2139 O ASP A 136 2.574 -13.496 -7.980 1.00 1.46 O ATOM 2140 CB ASP A 136 4.928 -15.458 -7.467 1.00 2.22 C ATOM 2141 CG ASP A 136 6.002 -14.406 -7.197 1.00 3.93 C ATOM 2142 OD1 ASP A 136 6.423 -14.330 -6.020 1.00 4.83 O ATOM 2143 OD2 ASP A 136 6.324 -13.642 -8.137 1.00 4.90 O ATOM 0 H ASP A 136 2.537 -16.329 -7.871 1.00 1.85 H new ATOM 0 HA ASP A 136 3.984 -15.192 -5.568 1.00 1.75 H new ATOM 0 HB2 ASP A 136 5.302 -16.452 -7.222 1.00 2.22 H new ATOM 0 HB3 ASP A 136 4.666 -15.468 -8.525 1.00 2.22 H new ATOM 2148 N HIS A 137 3.441 -12.756 -6.050 1.00 1.18 N ATOM 2149 CA HIS A 137 3.101 -11.365 -6.315 1.00 0.96 C ATOM 2150 C HIS A 137 4.074 -10.349 -5.717 1.00 1.19 C ATOM 2151 O HIS A 137 4.590 -10.529 -4.610 1.00 1.38 O ATOM 2152 CB HIS A 137 1.632 -11.100 -5.960 1.00 1.02 C ATOM 2153 CG HIS A 137 1.115 -11.598 -4.631 1.00 1.25 C ATOM 2154 ND1 HIS A 137 0.050 -12.455 -4.468 1.00 2.78 N ATOM 2155 CD2 HIS A 137 1.508 -11.207 -3.377 1.00 1.98 C ATOM 2156 CE1 HIS A 137 -0.181 -12.583 -3.151 1.00 2.91 C ATOM 2157 NE2 HIS A 137 0.678 -11.837 -2.436 1.00 2.08 N ATOM 0 H HIS A 137 3.873 -12.918 -5.140 1.00 1.18 H new ATOM 0 HA HIS A 137 3.217 -11.208 -7.387 1.00 0.96 H new ATOM 0 HB2 HIS A 137 1.470 -10.023 -5.997 1.00 1.02 H new ATOM 0 HB3 HIS A 137 1.016 -11.542 -6.743 1.00 1.02 H new ATOM 0 HD2 HIS A 137 2.318 -10.530 -3.151 1.00 1.98 H new ATOM 0 HE1 HIS A 137 -0.955 -13.203 -2.723 1.00 2.91 H new ATOM 0 HE2 HIS A 137 0.719 -11.747 -1.421 1.00 2.08 H new ATOM 2166 N THR A 138 4.253 -9.238 -6.447 1.00 0.80 N ATOM 2167 CA THR A 138 5.093 -8.086 -6.097 1.00 0.94 C ATOM 2168 C THR A 138 4.439 -7.310 -4.957 1.00 1.38 C ATOM 2169 O THR A 138 3.925 -6.205 -5.132 1.00 2.21 O ATOM 2170 CB THR A 138 5.360 -7.218 -7.337 1.00 0.92 C ATOM 2171 OG1 THR A 138 5.945 -8.021 -8.328 1.00 1.45 O ATOM 2172 CG2 THR A 138 6.337 -6.067 -7.090 1.00 1.26 C ATOM 0 H THR A 138 3.789 -9.114 -7.347 1.00 0.80 H new ATOM 0 HA THR A 138 6.067 -8.426 -5.746 1.00 0.94 H new ATOM 0 HB THR A 138 4.396 -6.798 -7.623 1.00 0.92 H new ATOM 0 HG1 THR A 138 5.248 -8.534 -8.787 1.00 1.45 H new ATOM 0 HG21 THR A 138 6.473 -5.501 -8.012 1.00 1.26 H new ATOM 0 HG22 THR A 138 5.938 -5.410 -6.317 1.00 1.26 H new ATOM 0 HG23 THR A 138 7.297 -6.468 -6.765 1.00 1.26 H new ATOM 2180 N ALA A 139 4.428 -7.903 -3.770 1.00 0.88 N ATOM 2181 CA ALA A 139 4.084 -7.229 -2.528 1.00 1.09 C ATOM 2182 C ALA A 139 5.156 -6.168 -2.254 1.00 1.00 C ATOM 2183 O ALA A 139 6.242 -6.475 -1.767 1.00 1.31 O ATOM 2184 CB ALA A 139 3.953 -8.272 -1.406 1.00 1.48 C ATOM 0 H ALA A 139 4.663 -8.887 -3.643 1.00 0.88 H new ATOM 0 HA ALA A 139 3.122 -6.720 -2.590 1.00 1.09 H new ATOM 0 HB1 ALA A 139 3.695 -7.772 -0.473 1.00 1.48 H new ATOM 0 HB2 ALA A 139 3.171 -8.986 -1.663 1.00 1.48 H new ATOM 0 HB3 ALA A 139 4.900 -8.798 -1.286 1.00 1.48 H new ATOM 2190 N THR A 140 4.892 -4.920 -2.646 1.00 0.87 N ATOM 2191 CA THR A 140 5.818 -3.782 -2.525 1.00 0.75 C ATOM 2192 C THR A 140 5.072 -2.599 -1.915 1.00 0.89 C ATOM 2193 O THR A 140 3.856 -2.475 -2.089 1.00 1.22 O ATOM 2194 CB THR A 140 6.423 -3.492 -3.904 1.00 0.76 C ATOM 2195 OG1 THR A 140 7.245 -4.596 -4.204 1.00 1.02 O ATOM 2196 CG2 THR A 140 7.314 -2.254 -3.998 1.00 0.81 C ATOM 0 H THR A 140 4.001 -4.661 -3.070 1.00 0.87 H new ATOM 0 HA THR A 140 6.650 -4.002 -1.856 1.00 0.75 H new ATOM 0 HB THR A 140 5.587 -3.316 -4.581 1.00 0.76 H new ATOM 0 HG1 THR A 140 7.660 -4.466 -5.082 1.00 1.02 H new ATOM 0 HG21 THR A 140 7.685 -2.149 -5.018 1.00 0.81 H new ATOM 0 HG22 THR A 140 6.737 -1.369 -3.729 1.00 0.81 H new ATOM 0 HG23 THR A 140 8.157 -2.359 -3.315 1.00 0.81 H new ATOM 2204 N THR A 141 5.795 -1.766 -1.165 1.00 0.72 N ATOM 2205 CA THR A 141 5.264 -0.610 -0.437 1.00 0.77 C ATOM 2206 C THR A 141 5.732 0.670 -1.118 1.00 1.10 C ATOM 2207 O THR A 141 6.917 0.890 -1.365 1.00 1.22 O ATOM 2208 CB THR A 141 5.645 -0.631 1.056 1.00 0.77 C ATOM 2209 OG1 THR A 141 6.619 -1.613 1.338 1.00 1.65 O ATOM 2210 CG2 THR A 141 4.433 -0.967 1.920 1.00 1.43 C ATOM 0 H THR A 141 6.801 -1.881 -1.043 1.00 0.72 H new ATOM 0 HA THR A 141 4.175 -0.655 -0.467 1.00 0.77 H new ATOM 0 HB THR A 141 6.032 0.363 1.279 1.00 0.77 H new ATOM 0 HG1 THR A 141 6.502 -1.935 2.256 1.00 1.65 H new ATOM 0 HG21 THR A 141 4.726 -0.976 2.970 1.00 1.43 H new ATOM 0 HG22 THR A 141 3.657 -0.217 1.766 1.00 1.43 H new ATOM 0 HG23 THR A 141 4.049 -1.948 1.642 1.00 1.43 H new ATOM 2218 N PHE A 142 4.763 1.516 -1.447 1.00 0.83 N ATOM 2219 CA PHE A 142 4.957 2.677 -2.309 1.00 0.83 C ATOM 2220 C PHE A 142 4.483 3.945 -1.596 1.00 1.99 C ATOM 2221 O PHE A 142 3.308 4.048 -1.233 1.00 2.26 O ATOM 2222 CB PHE A 142 4.163 2.476 -3.606 1.00 0.83 C ATOM 2223 CG PHE A 142 4.538 1.266 -4.444 1.00 0.91 C ATOM 2224 CD1 PHE A 142 3.891 0.033 -4.231 1.00 1.70 C ATOM 2225 CD2 PHE A 142 5.445 1.396 -5.514 1.00 2.13 C ATOM 2226 CE1 PHE A 142 4.155 -1.055 -5.080 1.00 1.64 C ATOM 2227 CE2 PHE A 142 5.715 0.304 -6.357 1.00 1.97 C ATOM 2228 CZ PHE A 142 5.070 -0.922 -6.138 1.00 0.95 C ATOM 0 H PHE A 142 3.803 1.413 -1.117 1.00 0.83 H new ATOM 0 HA PHE A 142 6.016 2.785 -2.542 1.00 0.83 H new ATOM 0 HB2 PHE A 142 3.106 2.402 -3.352 1.00 0.83 H new ATOM 0 HB3 PHE A 142 4.281 3.368 -4.221 1.00 0.83 H new ATOM 0 HD1 PHE A 142 3.192 -0.076 -3.415 1.00 1.70 H new ATOM 0 HD2 PHE A 142 5.937 2.342 -5.688 1.00 2.13 H new ATOM 0 HE1 PHE A 142 3.653 -1.997 -4.919 1.00 1.64 H new ATOM 0 HE2 PHE A 142 6.417 0.409 -7.171 1.00 1.97 H new ATOM 0 HZ PHE A 142 5.277 -1.764 -6.782 1.00 0.95 H new ATOM 2238 N VAL A 143 5.377 4.925 -1.436 1.00 0.88 N ATOM 2239 CA VAL A 143 5.028 6.224 -0.836 1.00 0.83 C ATOM 2240 C VAL A 143 4.813 7.270 -1.926 1.00 0.91 C ATOM 2241 O VAL A 143 5.672 7.489 -2.782 1.00 1.05 O ATOM 2242 CB VAL A 143 6.089 6.708 0.171 1.00 0.93 C ATOM 2243 CG1 VAL A 143 5.666 8.046 0.802 1.00 0.94 C ATOM 2244 CG2 VAL A 143 6.268 5.667 1.285 1.00 1.24 C ATOM 0 H VAL A 143 6.355 4.846 -1.714 1.00 0.88 H new ATOM 0 HA VAL A 143 4.100 6.085 -0.282 1.00 0.83 H new ATOM 0 HB VAL A 143 7.029 6.844 -0.364 1.00 0.93 H new ATOM 0 HG11 VAL A 143 6.428 8.371 1.510 1.00 0.94 H new ATOM 0 HG12 VAL A 143 5.553 8.797 0.020 1.00 0.94 H new ATOM 0 HG13 VAL A 143 4.717 7.919 1.323 1.00 0.94 H new ATOM 0 HG21 VAL A 143 7.020 6.017 1.993 1.00 1.24 H new ATOM 0 HG22 VAL A 143 5.320 5.523 1.804 1.00 1.24 H new ATOM 0 HG23 VAL A 143 6.591 4.721 0.850 1.00 1.24 H new ATOM 2254 N VAL A 144 3.662 7.938 -1.863 1.00 0.76 N ATOM 2255 CA VAL A 144 3.256 8.990 -2.806 1.00 0.74 C ATOM 2256 C VAL A 144 2.591 10.171 -2.095 1.00 1.05 C ATOM 2257 O VAL A 144 1.547 10.035 -1.462 1.00 1.09 O ATOM 2258 CB VAL A 144 2.416 8.439 -3.996 1.00 0.81 C ATOM 2259 CG1 VAL A 144 1.580 7.190 -3.676 1.00 2.13 C ATOM 2260 CG2 VAL A 144 1.509 9.487 -4.666 1.00 2.51 C ATOM 0 H VAL A 144 2.966 7.761 -1.139 1.00 0.76 H new ATOM 0 HA VAL A 144 4.170 9.380 -3.254 1.00 0.74 H new ATOM 0 HB VAL A 144 3.195 8.148 -4.701 1.00 0.81 H new ATOM 0 HG11 VAL A 144 1.031 6.882 -4.566 1.00 2.13 H new ATOM 0 HG12 VAL A 144 2.240 6.382 -3.359 1.00 2.13 H new ATOM 0 HG13 VAL A 144 0.876 7.419 -2.876 1.00 2.13 H new ATOM 0 HG21 VAL A 144 0.959 9.022 -5.484 1.00 2.51 H new ATOM 0 HG22 VAL A 144 0.805 9.881 -3.933 1.00 2.51 H new ATOM 0 HG23 VAL A 144 2.120 10.301 -5.056 1.00 2.51 H new ATOM 2270 N LYS A 145 3.197 11.346 -2.278 1.00 0.92 N ATOM 2271 CA LYS A 145 2.666 12.692 -2.038 1.00 0.90 C ATOM 2272 C LYS A 145 2.750 13.479 -3.360 1.00 0.97 C ATOM 2273 O LYS A 145 3.724 13.289 -4.084 1.00 1.34 O ATOM 2274 CB LYS A 145 3.541 13.344 -0.956 1.00 1.28 C ATOM 2275 CG LYS A 145 3.044 14.712 -0.469 1.00 1.51 C ATOM 2276 CD LYS A 145 4.101 15.341 0.449 1.00 1.60 C ATOM 2277 CE LYS A 145 3.552 16.577 1.169 1.00 2.00 C ATOM 2278 NZ LYS A 145 4.635 17.285 1.885 1.00 2.15 N ATOM 0 H LYS A 145 4.154 11.385 -2.628 1.00 0.92 H new ATOM 0 HA LYS A 145 1.629 12.674 -1.704 1.00 0.90 H new ATOM 0 HB2 LYS A 145 3.602 12.670 -0.102 1.00 1.28 H new ATOM 0 HB3 LYS A 145 4.553 13.458 -1.345 1.00 1.28 H new ATOM 0 HG2 LYS A 145 2.851 15.365 -1.320 1.00 1.51 H new ATOM 0 HG3 LYS A 145 2.102 14.599 0.067 1.00 1.51 H new ATOM 0 HD2 LYS A 145 4.430 14.606 1.184 1.00 1.60 H new ATOM 0 HD3 LYS A 145 4.976 15.619 -0.138 1.00 1.60 H new ATOM 0 HE2 LYS A 145 3.086 17.248 0.447 1.00 2.00 H new ATOM 0 HE3 LYS A 145 2.776 16.279 1.874 1.00 2.00 H new ATOM 0 HZ1 LYS A 145 4.254 17.717 2.751 1.00 2.15 H new ATOM 0 HZ2 LYS A 145 5.385 16.609 2.136 1.00 2.15 H new ATOM 0 HZ3 LYS A 145 5.029 18.028 1.272 1.00 2.15 H new ATOM 2292 N GLU A 146 1.745 14.290 -3.708 1.00 0.81 N ATOM 2293 CA GLU A 146 1.637 15.089 -4.953 1.00 0.98 C ATOM 2294 C GLU A 146 1.185 14.254 -6.174 1.00 1.30 C ATOM 2295 O GLU A 146 1.409 14.645 -7.320 1.00 1.75 O ATOM 2296 CB GLU A 146 2.925 15.846 -5.331 1.00 1.11 C ATOM 2297 CG GLU A 146 3.621 16.648 -4.228 1.00 1.68 C ATOM 2298 CD GLU A 146 4.986 17.160 -4.694 1.00 1.98 C ATOM 2299 OE1 GLU A 146 5.383 16.886 -5.854 1.00 2.52 O ATOM 2300 OE2 GLU A 146 5.661 17.813 -3.876 1.00 2.55 O ATOM 0 H GLU A 146 0.936 14.420 -3.101 1.00 0.81 H new ATOM 0 HA GLU A 146 0.868 15.822 -4.709 1.00 0.98 H new ATOM 0 HB2 GLU A 146 3.639 15.121 -5.722 1.00 1.11 H new ATOM 0 HB3 GLU A 146 2.687 16.530 -6.145 1.00 1.11 H new ATOM 0 HG2 GLU A 146 2.994 17.490 -3.936 1.00 1.68 H new ATOM 0 HG3 GLU A 146 3.746 16.023 -3.344 1.00 1.68 H new ATOM 2307 N GLY A 147 0.611 13.059 -5.972 1.00 0.89 N ATOM 2308 CA GLY A 147 0.166 12.216 -7.096 1.00 0.93 C ATOM 2309 C GLY A 147 1.308 11.620 -7.923 1.00 0.89 C ATOM 2310 O GLY A 147 1.128 11.300 -9.098 1.00 1.00 O ATOM 0 H GLY A 147 0.444 12.655 -5.050 1.00 0.89 H new ATOM 0 HA2 GLY A 147 -0.448 11.404 -6.706 1.00 0.93 H new ATOM 0 HA3 GLY A 147 -0.471 12.810 -7.751 1.00 0.93 H new ATOM 2314 N ARG A 148 2.492 11.464 -7.325 1.00 0.73 N ATOM 2315 CA ARG A 148 3.714 10.933 -7.940 1.00 0.69 C ATOM 2316 C ARG A 148 4.444 10.001 -6.980 1.00 1.06 C ATOM 2317 O ARG A 148 4.408 10.188 -5.771 1.00 1.28 O ATOM 2318 CB ARG A 148 4.663 12.064 -8.373 1.00 0.79 C ATOM 2319 CG ARG A 148 4.714 13.222 -7.369 1.00 1.23 C ATOM 2320 CD ARG A 148 6.090 13.860 -7.213 1.00 1.79 C ATOM 2321 NE ARG A 148 6.653 14.266 -8.514 1.00 2.36 N ATOM 2322 CZ ARG A 148 6.488 15.454 -9.080 1.00 2.62 C ATOM 2323 NH1 ARG A 148 5.897 16.460 -8.475 1.00 2.65 N ATOM 2324 NH2 ARG A 148 6.938 15.632 -10.304 1.00 4.17 N ATOM 0 H ARG A 148 2.633 11.718 -6.347 1.00 0.73 H new ATOM 0 HA ARG A 148 3.411 10.373 -8.825 1.00 0.69 H new ATOM 0 HB2 ARG A 148 5.667 11.659 -8.503 1.00 0.79 H new ATOM 0 HB3 ARG A 148 4.345 12.446 -9.343 1.00 0.79 H new ATOM 0 HG2 ARG A 148 4.005 13.989 -7.681 1.00 1.23 H new ATOM 0 HG3 ARG A 148 4.383 12.858 -6.396 1.00 1.23 H new ATOM 0 HD2 ARG A 148 6.016 14.730 -6.561 1.00 1.79 H new ATOM 0 HD3 ARG A 148 6.765 13.155 -6.728 1.00 1.79 H new ATOM 0 HE ARG A 148 7.213 13.579 -9.018 1.00 2.36 H new ATOM 0 HH11 ARG A 148 5.540 16.346 -7.526 1.00 2.65 H new ATOM 0 HH12 ARG A 148 5.795 17.355 -8.954 1.00 2.65 H new ATOM 0 HH21 ARG A 148 7.401 14.866 -10.794 1.00 4.17 H new ATOM 0 HH22 ARG A 148 6.824 16.536 -10.763 1.00 4.17 H new ATOM 2338 N LEU A 149 5.126 8.989 -7.507 1.00 0.60 N ATOM 2339 CA LEU A 149 5.858 8.029 -6.689 1.00 0.55 C ATOM 2340 C LEU A 149 7.077 8.732 -6.073 1.00 0.96 C ATOM 2341 O LEU A 149 7.955 9.167 -6.812 1.00 1.28 O ATOM 2342 CB LEU A 149 6.240 6.797 -7.548 1.00 0.75 C ATOM 2343 CG LEU A 149 5.964 5.431 -6.886 1.00 0.80 C ATOM 2344 CD1 LEU A 149 6.549 5.330 -5.470 1.00 2.06 C ATOM 2345 CD2 LEU A 149 4.461 5.132 -6.848 1.00 2.23 C ATOM 0 H LEU A 149 5.187 8.812 -8.510 1.00 0.60 H new ATOM 0 HA LEU A 149 5.241 7.661 -5.870 1.00 0.55 H new ATOM 0 HB2 LEU A 149 5.692 6.845 -8.489 1.00 0.75 H new ATOM 0 HB3 LEU A 149 7.300 6.858 -7.793 1.00 0.75 H new ATOM 0 HG LEU A 149 6.466 4.686 -7.504 1.00 0.80 H new ATOM 0 HD11 LEU A 149 6.325 4.348 -5.053 1.00 2.06 H new ATOM 0 HD12 LEU A 149 7.629 5.468 -5.512 1.00 2.06 H new ATOM 0 HD13 LEU A 149 6.109 6.102 -4.839 1.00 2.06 H new ATOM 0 HD21 LEU A 149 4.295 4.163 -6.376 1.00 2.23 H new ATOM 0 HD22 LEU A 149 3.950 5.907 -6.276 1.00 2.23 H new ATOM 0 HD23 LEU A 149 4.068 5.113 -7.865 1.00 2.23 H new ATOM 2357 N VAL A 150 7.122 8.858 -4.744 1.00 0.68 N ATOM 2358 CA VAL A 150 8.185 9.596 -4.023 1.00 0.90 C ATOM 2359 C VAL A 150 9.282 8.662 -3.483 1.00 1.08 C ATOM 2360 O VAL A 150 10.465 9.003 -3.559 1.00 1.15 O ATOM 2361 CB VAL A 150 7.583 10.416 -2.852 1.00 1.14 C ATOM 2362 CG1 VAL A 150 8.645 11.199 -2.062 1.00 2.57 C ATOM 2363 CG2 VAL A 150 6.553 11.439 -3.356 1.00 1.90 C ATOM 0 H VAL A 150 6.421 8.451 -4.125 1.00 0.68 H new ATOM 0 HA VAL A 150 8.644 10.270 -4.747 1.00 0.90 H new ATOM 0 HB VAL A 150 7.116 9.677 -2.201 1.00 1.14 H new ATOM 0 HG11 VAL A 150 8.164 11.753 -1.256 1.00 2.57 H new ATOM 0 HG12 VAL A 150 9.371 10.504 -1.641 1.00 2.57 H new ATOM 0 HG13 VAL A 150 9.154 11.896 -2.728 1.00 2.57 H new ATOM 0 HG21 VAL A 150 6.150 11.997 -2.510 1.00 1.90 H new ATOM 0 HG22 VAL A 150 7.034 12.129 -4.049 1.00 1.90 H new ATOM 0 HG23 VAL A 150 5.743 10.918 -3.866 1.00 1.90 H new ATOM 2373 N LEU A 151 8.911 7.484 -2.957 1.00 0.88 N ATOM 2374 CA LEU A 151 9.803 6.626 -2.168 1.00 0.97 C ATOM 2375 C LEU A 151 9.358 5.159 -2.221 1.00 1.24 C ATOM 2376 O LEU A 151 8.153 4.878 -2.243 1.00 1.36 O ATOM 2377 CB LEU A 151 9.852 7.186 -0.723 1.00 1.02 C ATOM 2378 CG LEU A 151 11.272 7.259 -0.137 1.00 1.17 C ATOM 2379 CD1 LEU A 151 11.438 8.495 0.752 1.00 1.29 C ATOM 2380 CD2 LEU A 151 11.638 5.988 0.635 1.00 1.39 C ATOM 0 H LEU A 151 7.973 7.098 -3.070 1.00 0.88 H new ATOM 0 HA LEU A 151 10.810 6.638 -2.586 1.00 0.97 H new ATOM 0 HB2 LEU A 151 9.413 8.184 -0.714 1.00 1.02 H new ATOM 0 HB3 LEU A 151 9.234 6.560 -0.079 1.00 1.02 H new ATOM 0 HG LEU A 151 11.960 7.343 -0.978 1.00 1.17 H new ATOM 0 HD11 LEU A 151 12.451 8.521 1.153 1.00 1.29 H new ATOM 0 HD12 LEU A 151 11.257 9.394 0.163 1.00 1.29 H new ATOM 0 HD13 LEU A 151 10.724 8.451 1.574 1.00 1.29 H new ATOM 0 HD21 LEU A 151 12.649 6.082 1.032 1.00 1.39 H new ATOM 0 HD22 LEU A 151 10.937 5.847 1.457 1.00 1.39 H new ATOM 0 HD23 LEU A 151 11.589 5.129 -0.034 1.00 1.39 H new ATOM 2392 N LEU A 152 10.324 4.231 -2.265 1.00 1.04 N ATOM 2393 CA LEU A 152 10.086 2.788 -2.391 1.00 0.98 C ATOM 2394 C LEU A 152 10.614 1.982 -1.200 1.00 1.33 C ATOM 2395 O LEU A 152 11.745 2.162 -0.736 1.00 1.37 O ATOM 2396 CB LEU A 152 10.725 2.238 -3.681 1.00 1.08 C ATOM 2397 CG LEU A 152 10.150 2.775 -5.000 1.00 1.08 C ATOM 2398 CD1 LEU A 152 10.932 2.163 -6.172 1.00 1.08 C ATOM 2399 CD2 LEU A 152 8.665 2.434 -5.161 1.00 1.21 C ATOM 0 H LEU A 152 11.314 4.469 -2.213 1.00 1.04 H new ATOM 0 HA LEU A 152 9.003 2.670 -2.422 1.00 0.98 H new ATOM 0 HB2 LEU A 152 11.792 2.458 -3.657 1.00 1.08 H new ATOM 0 HB3 LEU A 152 10.624 1.153 -3.679 1.00 1.08 H new ATOM 0 HG LEU A 152 10.246 3.861 -4.990 1.00 1.08 H new ATOM 0 HD11 LEU A 152 10.530 2.539 -7.113 1.00 1.08 H new ATOM 0 HD12 LEU A 152 11.984 2.438 -6.091 1.00 1.08 H new ATOM 0 HD13 LEU A 152 10.838 1.077 -6.145 1.00 1.08 H new ATOM 0 HD21 LEU A 152 8.301 2.833 -6.108 1.00 1.21 H new ATOM 0 HD22 LEU A 152 8.537 1.352 -5.150 1.00 1.21 H new ATOM 0 HD23 LEU A 152 8.099 2.874 -4.340 1.00 1.21 H new ATOM 2411 N TYR A 153 9.791 1.016 -0.804 1.00 0.83 N ATOM 2412 CA TYR A 153 10.048 -0.007 0.210 1.00 0.69 C ATOM 2413 C TYR A 153 9.612 -1.399 -0.288 1.00 1.10 C ATOM 2414 O TYR A 153 8.709 -1.544 -1.108 1.00 1.48 O ATOM 2415 CB TYR A 153 9.234 0.323 1.471 1.00 0.69 C ATOM 2416 CG TYR A 153 9.742 1.454 2.336 1.00 0.88 C ATOM 2417 CD1 TYR A 153 10.836 1.235 3.189 1.00 1.92 C ATOM 2418 CD2 TYR A 153 9.056 2.685 2.376 1.00 1.78 C ATOM 2419 CE1 TYR A 153 11.238 2.234 4.094 1.00 1.95 C ATOM 2420 CE2 TYR A 153 9.468 3.693 3.264 1.00 2.05 C ATOM 2421 CZ TYR A 153 10.556 3.467 4.133 1.00 1.38 C ATOM 2422 OH TYR A 153 10.954 4.438 4.998 1.00 1.83 O ATOM 0 H TYR A 153 8.861 0.919 -1.211 1.00 0.83 H new ATOM 0 HA TYR A 153 11.117 -0.019 0.422 1.00 0.69 H new ATOM 0 HB2 TYR A 153 8.215 0.561 1.165 1.00 0.69 H new ATOM 0 HB3 TYR A 153 9.180 -0.576 2.085 1.00 0.69 H new ATOM 0 HD1 TYR A 153 11.370 0.297 3.150 1.00 1.92 H new ATOM 0 HD2 TYR A 153 8.212 2.854 1.723 1.00 1.78 H new ATOM 0 HE1 TYR A 153 12.070 2.056 4.759 1.00 1.95 H new ATOM 0 HE2 TYR A 153 8.951 4.641 3.281 1.00 2.05 H new ATOM 0 HH TYR A 153 11.057 5.284 4.515 1.00 1.83 H new ATOM 2432 N SER A 154 10.202 -2.451 0.265 1.00 0.84 N ATOM 2433 CA SER A 154 9.555 -3.763 0.356 1.00 0.86 C ATOM 2434 C SER A 154 8.842 -3.880 1.727 1.00 1.24 C ATOM 2435 O SER A 154 9.177 -3.121 2.646 1.00 1.35 O ATOM 2436 CB SER A 154 10.612 -4.855 0.134 1.00 1.09 C ATOM 2437 OG SER A 154 11.691 -4.743 1.045 1.00 2.13 O ATOM 0 H SER A 154 11.140 -2.424 0.664 1.00 0.84 H new ATOM 0 HA SER A 154 8.794 -3.886 -0.415 1.00 0.86 H new ATOM 0 HB2 SER A 154 10.148 -5.836 0.241 1.00 1.09 H new ATOM 0 HB3 SER A 154 10.991 -4.791 -0.886 1.00 1.09 H new ATOM 0 HG SER A 154 11.913 -5.629 1.400 1.00 2.13 H new ATOM 2443 N PRO A 155 7.848 -4.771 1.903 1.00 1.33 N ATOM 2444 CA PRO A 155 7.096 -4.887 3.151 1.00 1.77 C ATOM 2445 C PRO A 155 7.956 -5.406 4.311 1.00 1.93 C ATOM 2446 O PRO A 155 7.730 -5.036 5.458 1.00 2.03 O ATOM 2447 CB PRO A 155 5.918 -5.812 2.830 1.00 2.30 C ATOM 2448 CG PRO A 155 6.423 -6.651 1.661 1.00 2.17 C ATOM 2449 CD PRO A 155 7.283 -5.651 0.897 1.00 1.59 C ATOM 0 HA PRO A 155 6.751 -3.913 3.498 1.00 1.77 H new ATOM 0 HB2 PRO A 155 5.654 -6.435 3.685 1.00 2.30 H new ATOM 0 HB3 PRO A 155 5.026 -5.246 2.560 1.00 2.30 H new ATOM 0 HG2 PRO A 155 7.001 -7.512 1.997 1.00 2.17 H new ATOM 0 HG3 PRO A 155 5.605 -7.034 1.051 1.00 2.17 H new ATOM 0 HD2 PRO A 155 8.067 -6.158 0.335 1.00 1.59 H new ATOM 0 HD3 PRO A 155 6.686 -5.091 0.177 1.00 1.59 H new ATOM 2457 N ASP A 156 8.997 -6.195 4.020 1.00 1.88 N ATOM 2458 CA ASP A 156 10.010 -6.616 4.989 1.00 2.18 C ATOM 2459 C ASP A 156 10.965 -5.486 5.400 1.00 2.11 C ATOM 2460 O ASP A 156 11.728 -5.661 6.342 1.00 2.46 O ATOM 2461 CB ASP A 156 10.803 -7.802 4.413 1.00 2.45 C ATOM 2462 CG ASP A 156 11.752 -7.354 3.295 1.00 2.16 C ATOM 2463 OD1 ASP A 156 11.239 -7.033 2.199 1.00 2.77 O ATOM 2464 OD2 ASP A 156 12.971 -7.252 3.555 1.00 2.30 O ATOM 0 H ASP A 156 9.160 -6.565 3.084 1.00 1.88 H new ATOM 0 HA ASP A 156 9.485 -6.914 5.896 1.00 2.18 H new ATOM 0 HB2 ASP A 156 11.376 -8.279 5.209 1.00 2.45 H new ATOM 0 HB3 ASP A 156 10.111 -8.550 4.026 1.00 2.45 H new ATOM 2469 N LYS A 157 10.909 -4.334 4.729 1.00 1.58 N ATOM 2470 CA LYS A 157 11.513 -3.055 5.107 1.00 1.40 C ATOM 2471 C LYS A 157 10.451 -1.993 5.492 1.00 1.50 C ATOM 2472 O LYS A 157 10.784 -0.817 5.630 1.00 1.76 O ATOM 2473 CB LYS A 157 12.437 -2.581 3.973 1.00 1.32 C ATOM 2474 CG LYS A 157 13.612 -3.531 3.685 1.00 2.04 C ATOM 2475 CD LYS A 157 14.645 -3.645 4.826 1.00 3.07 C ATOM 2476 CE LYS A 157 14.564 -4.982 5.588 1.00 4.13 C ATOM 2477 NZ LYS A 157 14.183 -4.826 7.016 1.00 5.36 N ATOM 0 H LYS A 157 10.405 -4.266 3.845 1.00 1.58 H new ATOM 0 HA LYS A 157 12.111 -3.199 6.007 1.00 1.40 H new ATOM 0 HB2 LYS A 157 11.848 -2.462 3.064 1.00 1.32 H new ATOM 0 HB3 LYS A 157 12.832 -1.598 4.227 1.00 1.32 H new ATOM 0 HG2 LYS A 157 13.215 -4.524 3.472 1.00 2.04 H new ATOM 0 HG3 LYS A 157 14.123 -3.192 2.784 1.00 2.04 H new ATOM 0 HD2 LYS A 157 15.647 -3.530 4.413 1.00 3.07 H new ATOM 0 HD3 LYS A 157 14.494 -2.825 5.528 1.00 3.07 H new ATOM 0 HE2 LYS A 157 13.839 -5.629 5.095 1.00 4.13 H new ATOM 0 HE3 LYS A 157 15.530 -5.484 5.530 1.00 4.13 H new ATOM 0 HZ1 LYS A 157 14.730 -5.493 7.596 1.00 5.36 H new ATOM 0 HZ2 LYS A 157 14.384 -3.853 7.325 1.00 5.36 H new ATOM 0 HZ3 LYS A 157 13.168 -5.022 7.128 1.00 5.36 H new ATOM 2491 N ALA A 158 9.188 -2.402 5.670 1.00 1.28 N ATOM 2492 CA ALA A 158 8.091 -1.593 6.220 1.00 1.19 C ATOM 2493 C ALA A 158 7.688 -1.998 7.659 1.00 1.48 C ATOM 2494 O ALA A 158 6.812 -1.362 8.236 1.00 1.75 O ATOM 2495 CB ALA A 158 6.893 -1.680 5.262 1.00 1.17 C ATOM 0 H ALA A 158 8.890 -3.346 5.424 1.00 1.28 H new ATOM 0 HA ALA A 158 8.439 -0.563 6.301 1.00 1.19 H new ATOM 0 HB1 ALA A 158 6.069 -1.085 5.655 1.00 1.17 H new ATOM 0 HB2 ALA A 158 7.182 -1.298 4.283 1.00 1.17 H new ATOM 0 HB3 ALA A 158 6.577 -2.719 5.168 1.00 1.17 H new ATOM 2501 N GLU A 159 8.339 -3.012 8.236 1.00 1.23 N ATOM 2502 CA GLU A 159 8.236 -3.460 9.634 1.00 1.25 C ATOM 2503 C GLU A 159 8.732 -2.434 10.676 1.00 1.78 C ATOM 2504 O GLU A 159 8.175 -2.302 11.773 1.00 2.04 O ATOM 2505 CB GLU A 159 9.017 -4.784 9.825 1.00 1.26 C ATOM 2506 CG GLU A 159 10.189 -5.108 8.880 1.00 2.41 C ATOM 2507 CD GLU A 159 11.303 -4.051 8.772 1.00 4.72 C ATOM 2508 OE1 GLU A 159 11.053 -3.002 8.148 1.00 5.99 O ATOM 2509 OE2 GLU A 159 12.456 -4.257 9.206 1.00 5.90 O ATOM 0 H GLU A 159 8.997 -3.582 7.706 1.00 1.23 H new ATOM 0 HA GLU A 159 7.170 -3.596 9.815 1.00 1.25 H new ATOM 0 HB2 GLU A 159 9.405 -4.792 10.844 1.00 1.26 H new ATOM 0 HB3 GLU A 159 8.300 -5.602 9.751 1.00 1.26 H new ATOM 0 HG2 GLU A 159 10.640 -6.045 9.206 1.00 2.41 H new ATOM 0 HG3 GLU A 159 9.784 -5.279 7.882 1.00 2.41 H new ATOM 2516 N ALA A 160 9.820 -1.723 10.378 1.00 1.64 N ATOM 2517 CA ALA A 160 10.511 -0.880 11.348 1.00 1.77 C ATOM 2518 C ALA A 160 9.738 0.423 11.626 1.00 1.99 C ATOM 2519 O ALA A 160 10.010 1.460 11.011 1.00 1.98 O ATOM 2520 CB ALA A 160 11.953 -0.661 10.870 1.00 1.86 C ATOM 0 H ALA A 160 10.247 -1.717 9.452 1.00 1.64 H new ATOM 0 HA ALA A 160 10.555 -1.380 12.316 1.00 1.77 H new ATOM 0 HB1 ALA A 160 12.482 -0.032 11.586 1.00 1.86 H new ATOM 0 HB2 ALA A 160 12.459 -1.623 10.788 1.00 1.86 H new ATOM 0 HB3 ALA A 160 11.943 -0.172 9.896 1.00 1.86 H new ATOM 2526 N THR A 161 8.810 0.370 12.598 1.00 1.83 N ATOM 2527 CA THR A 161 7.993 1.501 13.099 1.00 1.90 C ATOM 2528 C THR A 161 8.784 2.804 13.100 1.00 1.81 C ATOM 2529 O THR A 161 8.454 3.740 12.375 1.00 1.91 O ATOM 2530 CB THR A 161 7.505 1.213 14.531 1.00 1.92 C ATOM 2531 OG1 THR A 161 6.600 0.130 14.551 1.00 2.09 O ATOM 2532 CG2 THR A 161 6.798 2.409 15.178 1.00 2.05 C ATOM 0 H THR A 161 8.595 -0.502 13.082 1.00 1.83 H new ATOM 0 HA THR A 161 7.141 1.609 12.428 1.00 1.90 H new ATOM 0 HB THR A 161 8.407 0.983 15.098 1.00 1.92 H new ATOM 0 HG1 THR A 161 6.958 -0.585 15.118 1.00 2.09 H new ATOM 0 HG21 THR A 161 6.479 2.142 16.185 1.00 2.05 H new ATOM 0 HG22 THR A 161 7.484 3.254 15.227 1.00 2.05 H new ATOM 0 HG23 THR A 161 5.927 2.683 14.582 1.00 2.05 H new ATOM 2540 N ASP A 162 9.852 2.862 13.881 1.00 1.75 N ATOM 2541 CA ASP A 162 10.604 4.088 14.151 1.00 1.76 C ATOM 2542 C ASP A 162 11.423 4.579 12.941 1.00 1.83 C ATOM 2543 O ASP A 162 11.766 5.760 12.864 1.00 1.85 O ATOM 2544 CB ASP A 162 11.440 3.836 15.414 1.00 1.80 C ATOM 2545 CG ASP A 162 10.530 3.440 16.586 1.00 2.49 C ATOM 2546 OD1 ASP A 162 10.018 4.366 17.254 1.00 3.40 O ATOM 2547 OD2 ASP A 162 10.279 2.225 16.769 1.00 3.10 O ATOM 0 H ASP A 162 10.232 2.044 14.357 1.00 1.75 H new ATOM 0 HA ASP A 162 9.921 4.919 14.330 1.00 1.76 H new ATOM 0 HB2 ASP A 162 12.166 3.045 15.226 1.00 1.80 H new ATOM 0 HB3 ASP A 162 12.004 4.733 15.670 1.00 1.80 H new ATOM 2552 N ARG A 163 11.684 3.701 11.963 1.00 1.76 N ATOM 2553 CA ARG A 163 12.138 4.062 10.619 1.00 1.77 C ATOM 2554 C ARG A 163 11.026 4.678 9.758 1.00 1.90 C ATOM 2555 O ARG A 163 11.228 5.754 9.207 1.00 2.12 O ATOM 2556 CB ARG A 163 12.754 2.836 9.931 1.00 1.82 C ATOM 2557 CG ARG A 163 13.921 2.203 10.713 1.00 1.97 C ATOM 2558 CD ARG A 163 15.076 3.186 10.857 1.00 1.82 C ATOM 2559 NE ARG A 163 16.240 2.595 11.542 1.00 2.06 N ATOM 2560 CZ ARG A 163 17.506 2.991 11.429 1.00 2.41 C ATOM 2561 NH1 ARG A 163 17.910 3.837 10.503 1.00 3.07 N ATOM 2562 NH2 ARG A 163 18.413 2.535 12.269 1.00 3.17 N ATOM 0 H ARG A 163 11.582 2.694 12.091 1.00 1.76 H new ATOM 0 HA ARG A 163 12.898 4.836 10.728 1.00 1.77 H new ATOM 0 HB2 ARG A 163 11.978 2.085 9.785 1.00 1.82 H new ATOM 0 HB3 ARG A 163 13.107 3.126 8.941 1.00 1.82 H new ATOM 0 HG2 ARG A 163 13.577 1.893 11.700 1.00 1.97 H new ATOM 0 HG3 ARG A 163 14.264 1.305 10.199 1.00 1.97 H new ATOM 0 HD2 ARG A 163 15.378 3.533 9.869 1.00 1.82 H new ATOM 0 HD3 ARG A 163 14.737 4.060 11.413 1.00 1.82 H new ATOM 0 HE ARG A 163 16.058 1.806 12.163 1.00 2.06 H new ATOM 0 HH11 ARG A 163 17.241 4.218 9.833 1.00 3.07 H new ATOM 0 HH12 ARG A 163 18.891 4.111 10.456 1.00 3.07 H new ATOM 0 HH21 ARG A 163 18.144 1.880 13.004 1.00 3.17 H new ATOM 0 HH22 ARG A 163 19.384 2.837 12.185 1.00 3.17 H new ATOM 2576 N VAL A 164 9.859 4.040 9.684 1.00 1.71 N ATOM 2577 CA VAL A 164 8.694 4.560 8.935 1.00 1.69 C ATOM 2578 C VAL A 164 8.209 5.912 9.510 1.00 1.82 C ATOM 2579 O VAL A 164 7.821 6.799 8.754 1.00 2.00 O ATOM 2580 CB VAL A 164 7.557 3.507 8.871 1.00 1.58 C ATOM 2581 CG1 VAL A 164 6.302 4.026 8.151 1.00 1.58 C ATOM 2582 CG2 VAL A 164 8.026 2.232 8.144 1.00 1.56 C ATOM 0 H VAL A 164 9.685 3.144 10.140 1.00 1.71 H new ATOM 0 HA VAL A 164 9.011 4.752 7.910 1.00 1.69 H new ATOM 0 HB VAL A 164 7.302 3.289 9.908 1.00 1.58 H new ATOM 0 HG11 VAL A 164 5.541 3.245 8.138 1.00 1.58 H new ATOM 0 HG12 VAL A 164 5.916 4.900 8.676 1.00 1.58 H new ATOM 0 HG13 VAL A 164 6.557 4.301 7.128 1.00 1.58 H new ATOM 0 HG21 VAL A 164 7.210 1.510 8.113 1.00 1.56 H new ATOM 0 HG22 VAL A 164 8.327 2.483 7.127 1.00 1.56 H new ATOM 0 HG23 VAL A 164 8.873 1.800 8.677 1.00 1.56 H new ATOM 2592 N VAL A 165 8.329 6.124 10.828 1.00 1.69 N ATOM 2593 CA VAL A 165 8.107 7.445 11.468 1.00 1.70 C ATOM 2594 C VAL A 165 8.977 8.557 10.856 1.00 1.73 C ATOM 2595 O VAL A 165 8.505 9.681 10.682 1.00 1.97 O ATOM 2596 CB VAL A 165 8.367 7.371 12.991 1.00 1.61 C ATOM 2597 CG1 VAL A 165 8.446 8.733 13.706 1.00 1.65 C ATOM 2598 CG2 VAL A 165 7.252 6.560 13.663 1.00 1.88 C ATOM 0 H VAL A 165 8.583 5.389 11.488 1.00 1.69 H new ATOM 0 HA VAL A 165 7.063 7.699 11.284 1.00 1.70 H new ATOM 0 HB VAL A 165 9.347 6.903 13.087 1.00 1.61 H new ATOM 0 HG11 VAL A 165 8.631 8.576 14.769 1.00 1.65 H new ATOM 0 HG12 VAL A 165 9.259 9.321 13.280 1.00 1.65 H new ATOM 0 HG13 VAL A 165 7.505 9.267 13.576 1.00 1.65 H new ATOM 0 HG21 VAL A 165 7.436 6.508 14.736 1.00 1.88 H new ATOM 0 HG22 VAL A 165 6.292 7.043 13.482 1.00 1.88 H new ATOM 0 HG23 VAL A 165 7.235 5.552 13.249 1.00 1.88 H new ATOM 2608 N ALA A 166 10.239 8.259 10.529 1.00 1.54 N ATOM 2609 CA ALA A 166 11.154 9.229 9.917 1.00 1.54 C ATOM 2610 C ALA A 166 10.775 9.578 8.471 1.00 1.92 C ATOM 2611 O ALA A 166 10.867 10.746 8.111 1.00 2.07 O ATOM 2612 CB ALA A 166 12.582 8.686 9.994 1.00 1.42 C ATOM 0 H ALA A 166 10.655 7.340 10.681 1.00 1.54 H new ATOM 0 HA ALA A 166 11.080 10.161 10.478 1.00 1.54 H new ATOM 0 HB1 ALA A 166 13.268 9.402 9.541 1.00 1.42 H new ATOM 0 HB2 ALA A 166 12.856 8.531 11.037 1.00 1.42 H new ATOM 0 HB3 ALA A 166 12.640 7.738 9.459 1.00 1.42 H new ATOM 2618 N ASP A 167 10.283 8.615 7.684 1.00 1.99 N ATOM 2619 CA ASP A 167 9.759 8.848 6.326 1.00 2.33 C ATOM 2620 C ASP A 167 8.618 9.876 6.346 1.00 2.67 C ATOM 2621 O ASP A 167 8.659 10.904 5.666 1.00 2.74 O ATOM 2622 CB ASP A 167 9.275 7.498 5.771 1.00 2.79 C ATOM 2623 CG ASP A 167 8.850 7.555 4.300 1.00 3.77 C ATOM 2624 OD1 ASP A 167 7.742 8.064 4.020 1.00 5.36 O ATOM 2625 OD2 ASP A 167 9.632 7.016 3.486 1.00 3.44 O ATOM 0 H ASP A 167 10.235 7.638 7.972 1.00 1.99 H new ATOM 0 HA ASP A 167 10.542 9.257 5.687 1.00 2.33 H new ATOM 0 HB2 ASP A 167 10.072 6.763 5.882 1.00 2.79 H new ATOM 0 HB3 ASP A 167 8.434 7.149 6.370 1.00 2.79 H new ATOM 2630 N LEU A 168 7.656 9.630 7.240 1.00 2.42 N ATOM 2631 CA LEU A 168 6.470 10.464 7.425 1.00 2.58 C ATOM 2632 C LEU A 168 6.817 11.882 7.891 1.00 2.60 C ATOM 2633 O LEU A 168 6.055 12.805 7.601 1.00 2.92 O ATOM 2634 CB LEU A 168 5.540 9.800 8.454 1.00 2.66 C ATOM 2635 CG LEU A 168 4.923 8.459 8.004 1.00 2.66 C ATOM 2636 CD1 LEU A 168 4.264 7.763 9.205 1.00 3.16 C ATOM 2637 CD2 LEU A 168 3.873 8.665 6.903 1.00 3.25 C ATOM 0 H LEU A 168 7.683 8.827 7.868 1.00 2.42 H new ATOM 0 HA LEU A 168 5.975 10.552 6.458 1.00 2.58 H new ATOM 0 HB2 LEU A 168 6.100 9.635 9.374 1.00 2.66 H new ATOM 0 HB3 LEU A 168 4.733 10.493 8.692 1.00 2.66 H new ATOM 0 HG LEU A 168 5.725 7.840 7.603 1.00 2.66 H new ATOM 0 HD11 LEU A 168 3.829 6.816 8.884 1.00 3.16 H new ATOM 0 HD12 LEU A 168 5.014 7.576 9.973 1.00 3.16 H new ATOM 0 HD13 LEU A 168 3.480 8.403 9.611 1.00 3.16 H new ATOM 0 HD21 LEU A 168 3.459 7.700 6.610 1.00 3.25 H new ATOM 0 HD22 LEU A 168 3.073 9.304 7.278 1.00 3.25 H new ATOM 0 HD23 LEU A 168 4.340 9.137 6.039 1.00 3.25 H new ATOM 2649 N GLN A 169 7.911 12.031 8.642 1.00 2.12 N ATOM 2650 CA GLN A 169 8.495 13.305 9.060 1.00 1.95 C ATOM 2651 C GLN A 169 9.226 14.024 7.918 1.00 1.97 C ATOM 2652 O GLN A 169 8.963 15.194 7.670 1.00 1.95 O ATOM 2653 CB GLN A 169 9.432 13.054 10.258 1.00 1.80 C ATOM 2654 CG GLN A 169 8.685 12.978 11.606 1.00 2.02 C ATOM 2655 CD GLN A 169 9.354 13.834 12.680 1.00 2.07 C ATOM 2656 OE1 GLN A 169 8.828 14.850 13.101 1.00 2.80 O ATOM 2657 NE2 GLN A 169 10.539 13.477 13.139 1.00 2.06 N ATOM 0 H GLN A 169 8.437 11.229 8.990 1.00 2.12 H new ATOM 0 HA GLN A 169 7.687 13.973 9.358 1.00 1.95 H new ATOM 0 HB2 GLN A 169 9.975 12.123 10.098 1.00 1.80 H new ATOM 0 HB3 GLN A 169 10.173 13.852 10.305 1.00 1.80 H new ATOM 0 HG2 GLN A 169 7.655 13.308 11.469 1.00 2.02 H new ATOM 0 HG3 GLN A 169 8.646 11.941 11.941 1.00 2.02 H new ATOM 0 HE21 GLN A 169 10.986 12.628 12.792 1.00 2.06 H new ATOM 0 HE22 GLN A 169 11.008 14.050 13.841 1.00 2.06 H new ATOM 2666 N ALA A 170 10.150 13.341 7.239 1.00 1.91 N ATOM 2667 CA ALA A 170 11.039 13.921 6.233 1.00 1.93 C ATOM 2668 C ALA A 170 10.332 14.317 4.927 1.00 1.86 C ATOM 2669 O ALA A 170 10.880 15.117 4.167 1.00 2.03 O ATOM 2670 CB ALA A 170 12.155 12.906 5.962 1.00 2.14 C ATOM 0 H ALA A 170 10.304 12.342 7.378 1.00 1.91 H new ATOM 0 HA ALA A 170 11.436 14.856 6.628 1.00 1.93 H new ATOM 0 HB1 ALA A 170 12.838 13.308 5.214 1.00 2.14 H new ATOM 0 HB2 ALA A 170 12.701 12.711 6.885 1.00 2.14 H new ATOM 0 HB3 ALA A 170 11.720 11.977 5.594 1.00 2.14 H new ATOM 2676 N LEU A 171 9.142 13.761 4.668 1.00 1.60 N ATOM 2677 CA LEU A 171 8.272 14.108 3.538 1.00 1.66 C ATOM 2678 C LEU A 171 7.095 15.026 3.912 1.00 2.02 C ATOM 2679 O LEU A 171 6.477 15.551 2.988 1.00 2.26 O ATOM 2680 CB LEU A 171 7.732 12.806 2.911 1.00 1.60 C ATOM 2681 CG LEU A 171 8.794 11.828 2.366 1.00 1.50 C ATOM 2682 CD1 LEU A 171 8.062 10.652 1.709 1.00 1.58 C ATOM 2683 CD2 LEU A 171 9.747 12.480 1.352 1.00 2.02 C ATOM 0 H LEU A 171 8.745 13.032 5.260 1.00 1.60 H new ATOM 0 HA LEU A 171 8.881 14.672 2.831 1.00 1.66 H new ATOM 0 HB2 LEU A 171 7.137 12.284 3.661 1.00 1.60 H new ATOM 0 HB3 LEU A 171 7.058 13.071 2.096 1.00 1.60 H new ATOM 0 HG LEU A 171 9.413 11.498 3.200 1.00 1.50 H new ATOM 0 HD11 LEU A 171 8.791 9.944 1.315 1.00 1.58 H new ATOM 0 HD12 LEU A 171 7.436 10.154 2.449 1.00 1.58 H new ATOM 0 HD13 LEU A 171 7.438 11.021 0.895 1.00 1.58 H new ATOM 0 HD21 LEU A 171 10.470 11.742 1.006 1.00 2.02 H new ATOM 0 HD22 LEU A 171 9.175 12.853 0.503 1.00 2.02 H new ATOM 0 HD23 LEU A 171 10.273 13.308 1.827 1.00 2.02 H new ATOM 2695 N LEU A 172 6.786 15.196 5.210 1.00 1.69 N ATOM 2696 CA LEU A 172 5.638 15.890 5.829 1.00 1.80 C ATOM 2697 C LEU A 172 4.511 16.388 4.895 1.00 1.99 C ATOM 2698 O LEU A 172 4.470 17.580 4.524 1.00 2.13 O ATOM 2699 CB LEU A 172 6.203 16.935 6.826 1.00 2.08 C ATOM 2700 CG LEU A 172 6.052 16.542 8.305 1.00 2.36 C ATOM 2701 CD1 LEU A 172 6.797 17.543 9.185 1.00 2.99 C ATOM 2702 CD2 LEU A 172 4.586 16.515 8.753 1.00 2.87 C ATOM 2703 OXT LEU A 172 3.646 15.548 4.559 1.00 3.18 O ATOM 0 H LEU A 172 7.398 14.810 5.929 1.00 1.69 H new ATOM 0 HA LEU A 172 5.053 15.144 6.368 1.00 1.80 H new ATOM 0 HB2 LEU A 172 7.260 17.092 6.610 1.00 2.08 H new ATOM 0 HB3 LEU A 172 5.699 17.887 6.661 1.00 2.08 H new ATOM 0 HG LEU A 172 6.467 15.540 8.410 1.00 2.36 H new ATOM 0 HD11 LEU A 172 6.687 17.260 10.232 1.00 2.99 H new ATOM 0 HD12 LEU A 172 7.854 17.545 8.919 1.00 2.99 H new ATOM 0 HD13 LEU A 172 6.383 18.540 9.033 1.00 2.99 H new ATOM 0 HD21 LEU A 172 4.532 16.232 9.804 1.00 2.87 H new ATOM 0 HD22 LEU A 172 4.147 17.504 8.620 1.00 2.87 H new ATOM 0 HD23 LEU A 172 4.036 15.790 8.153 1.00 2.87 H new