USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -58:sc= 1.3 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 21 SER OG : rot 60:sc= 1.14 USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.0432 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.16) USER MOD Single : A 42 MET CE :methyl 153:sc= -4.03! (180deg=-8.79!) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 5 THR OG1 : rot -35:sc= 0.815 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 30:sc= 0 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.965 K(o=-0.97,f=0) USER MOD Single : B 19 THR OG1 : rot -31:sc= -1.93! USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl 155:sc= -1.82 (180deg=-4.13!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -6.952 -0.141 -10.672 1.00 3.14 N ATOM 73 CA THR A 5 -6.832 0.158 -9.267 1.00 3.01 C ATOM 74 C THR A 5 -8.225 0.064 -8.708 1.00 2.85 C ATOM 75 O THR A 5 -9.191 0.073 -9.473 1.00 2.89 O ATOM 76 CB THR A 5 -6.257 1.564 -9.002 1.00 3.29 C ATOM 77 OG1 THR A 5 -6.994 2.551 -9.736 1.00 3.55 O ATOM 78 CG2 THR A 5 -4.787 1.630 -9.377 1.00 3.52 C ATOM 0 HA THR A 5 -6.139 -0.541 -8.798 1.00 3.01 H new ATOM 0 HB THR A 5 -6.350 1.770 -7.936 1.00 3.29 H new ATOM 0 HG1 THR A 5 -6.966 2.336 -10.692 1.00 3.55 H new ATOM 0 HG21 THR A 5 -4.406 2.632 -9.180 1.00 3.52 H new ATOM 0 HG22 THR A 5 -4.227 0.906 -8.784 1.00 3.52 H new ATOM 0 HG23 THR A 5 -4.671 1.399 -10.436 1.00 3.52 H new ATOM 86 N LEU A 6 -8.361 -0.047 -7.412 1.00 2.72 N ATOM 87 CA LEU A 6 -9.687 -0.142 -6.839 1.00 2.62 C ATOM 88 C LEU A 6 -10.527 1.084 -7.188 1.00 2.85 C ATOM 89 O LEU A 6 -11.752 1.024 -7.206 1.00 2.79 O ATOM 90 CB LEU A 6 -9.614 -0.380 -5.349 1.00 2.55 C ATOM 91 CG LEU A 6 -10.029 -1.779 -4.929 1.00 2.31 C ATOM 92 CD1 LEU A 6 -10.256 -1.845 -3.430 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.277 -2.208 -5.688 1.00 2.25 C ATOM 0 H LEU A 6 -7.592 -0.074 -6.743 1.00 2.72 H new ATOM 0 HA LEU A 6 -10.189 -1.004 -7.278 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -8.594 -0.197 -5.011 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -10.252 0.345 -4.843 1.00 2.55 H new ATOM 0 HG LEU A 6 -9.222 -2.470 -5.175 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -10.553 -2.856 -3.151 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -9.335 -1.581 -2.911 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -11.044 -1.146 -3.150 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -11.564 -3.213 -5.378 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -12.090 -1.515 -5.472 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.071 -2.204 -6.758 1.00 2.25 H new ATOM 105 N TYR A 7 -9.847 2.181 -7.488 1.00 3.13 N ATOM 106 CA TYR A 7 -10.507 3.427 -7.883 1.00 3.41 C ATOM 107 C TYR A 7 -11.231 3.236 -9.212 1.00 3.42 C ATOM 108 O TYR A 7 -12.342 3.720 -9.418 1.00 3.50 O ATOM 109 CB TYR A 7 -9.488 4.560 -8.034 1.00 3.74 C ATOM 110 CG TYR A 7 -8.983 5.139 -6.735 1.00 3.86 C ATOM 111 CD1 TYR A 7 -9.859 5.751 -5.850 1.00 3.98 C ATOM 112 CD2 TYR A 7 -7.642 5.053 -6.379 1.00 3.89 C ATOM 113 CE1 TYR A 7 -9.418 6.268 -4.650 1.00 4.16 C ATOM 114 CE2 TYR A 7 -7.193 5.563 -5.176 1.00 4.04 C ATOM 115 CZ TYR A 7 -8.025 6.239 -4.369 1.00 4.20 C ATOM 116 OH TYR A 7 -7.641 6.679 -3.117 1.00 4.39 O ATOM 0 H TYR A 7 -8.829 2.238 -7.466 1.00 3.13 H new ATOM 0 HA TYR A 7 -11.222 3.690 -7.103 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -8.637 4.189 -8.605 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -9.941 5.360 -8.620 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -10.906 5.824 -6.106 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -6.942 4.581 -7.052 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -10.116 6.686 -3.939 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -6.164 5.416 -4.883 1.00 4.04 H new ATOM 0 HH TYR A 7 -6.667 6.615 -3.032 1.00 4.39 H new ATOM 126 N ASP A 8 -10.573 2.495 -10.094 1.00 3.37 N ATOM 127 CA ASP A 8 -11.065 2.208 -11.436 1.00 3.45 C ATOM 128 C ASP A 8 -12.307 1.357 -11.354 1.00 3.21 C ATOM 129 O ASP A 8 -13.297 1.613 -12.037 1.00 3.31 O ATOM 130 CB ASP A 8 -9.990 1.480 -12.254 1.00 3.49 C ATOM 131 CG ASP A 8 -8.817 2.362 -12.639 1.00 3.79 C ATOM 132 OD1 ASP A 8 -9.013 3.357 -13.370 1.00 4.13 O ATOM 133 OD2 ASP A 8 -7.678 2.046 -12.228 1.00 3.72 O ATOM 0 H ASP A 8 -9.668 2.069 -9.894 1.00 3.37 H new ATOM 0 HA ASP A 8 -11.305 3.150 -11.930 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -9.621 0.630 -11.679 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -10.445 1.079 -13.160 1.00 3.49 H new ATOM 138 N VAL A 9 -12.253 0.349 -10.496 1.00 2.91 N ATOM 139 CA VAL A 9 -13.363 -0.547 -10.318 1.00 2.70 C ATOM 140 C VAL A 9 -14.504 0.198 -9.670 1.00 2.72 C ATOM 141 O VAL A 9 -15.657 0.041 -10.038 1.00 2.70 O ATOM 142 CB VAL A 9 -12.965 -1.744 -9.447 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.160 -2.619 -9.173 1.00 2.28 C ATOM 144 CG2 VAL A 9 -11.865 -2.546 -10.110 1.00 2.45 C ATOM 0 H VAL A 9 -11.443 0.139 -9.913 1.00 2.91 H new ATOM 0 HA VAL A 9 -13.671 -0.922 -11.294 1.00 2.70 H new ATOM 0 HB VAL A 9 -12.589 -1.364 -8.497 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -13.858 -3.463 -8.553 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -14.923 -2.041 -8.652 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -14.565 -2.987 -10.116 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -11.597 -3.391 -9.475 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -12.214 -2.913 -11.075 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -10.991 -1.912 -10.258 1.00 2.45 H new ATOM 154 N ALA A 10 -14.145 1.018 -8.708 1.00 2.80 N ATOM 155 CA ALA A 10 -15.110 1.816 -7.964 1.00 2.91 C ATOM 156 C ALA A 10 -15.912 2.715 -8.890 1.00 3.14 C ATOM 157 O ALA A 10 -17.144 2.735 -8.844 1.00 3.12 O ATOM 158 CB ALA A 10 -14.372 2.632 -6.922 1.00 3.09 C ATOM 0 H ALA A 10 -13.178 1.155 -8.415 1.00 2.80 H new ATOM 0 HA ALA A 10 -15.819 1.152 -7.470 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -15.085 3.234 -6.359 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -13.845 1.963 -6.242 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -13.654 3.287 -7.415 1.00 3.09 H new ATOM 164 N GLU A 11 -15.214 3.411 -9.766 1.00 3.37 N ATOM 165 CA GLU A 11 -15.869 4.318 -10.696 1.00 3.64 C ATOM 166 C GLU A 11 -16.679 3.516 -11.701 1.00 3.52 C ATOM 167 O GLU A 11 -17.844 3.814 -11.956 1.00 3.57 O ATOM 168 CB GLU A 11 -14.858 5.242 -11.391 1.00 3.95 C ATOM 169 CG GLU A 11 -14.302 6.325 -10.469 1.00 4.31 C ATOM 170 CD GLU A 11 -13.714 7.511 -11.216 1.00 4.89 C ATOM 171 OE1 GLU A 11 -12.781 7.313 -12.022 1.00 5.24 O ATOM 172 OE2 GLU A 11 -14.168 8.657 -10.985 1.00 5.23 O ATOM 0 H GLU A 11 -14.199 3.368 -9.856 1.00 3.37 H new ATOM 0 HA GLU A 11 -16.546 4.965 -10.138 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -14.033 4.643 -11.776 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -15.337 5.714 -12.249 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -15.098 6.677 -9.813 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -13.533 5.889 -9.831 1.00 4.31 H new ATOM 179 N TYR A 12 -16.047 2.498 -12.271 1.00 3.40 N ATOM 180 CA TYR A 12 -16.695 1.627 -13.241 1.00 3.35 C ATOM 181 C TYR A 12 -17.908 0.913 -12.636 1.00 3.08 C ATOM 182 O TYR A 12 -18.851 0.569 -13.349 1.00 3.11 O ATOM 183 CB TYR A 12 -15.696 0.592 -13.756 1.00 3.31 C ATOM 184 CG TYR A 12 -16.222 -0.277 -14.871 1.00 3.39 C ATOM 185 CD1 TYR A 12 -16.538 0.277 -16.098 1.00 3.70 C ATOM 186 CD2 TYR A 12 -16.410 -1.642 -14.699 1.00 3.19 C ATOM 187 CE1 TYR A 12 -17.027 -0.492 -17.129 1.00 3.82 C ATOM 188 CE2 TYR A 12 -16.900 -2.426 -15.727 1.00 3.34 C ATOM 189 CZ TYR A 12 -17.174 -1.906 -16.910 1.00 3.64 C ATOM 190 OH TYR A 12 -17.701 -2.623 -17.964 1.00 3.82 O ATOM 0 H TYR A 12 -15.076 2.254 -12.075 1.00 3.40 H new ATOM 0 HA TYR A 12 -17.045 2.248 -14.066 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -14.802 1.109 -14.105 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -15.392 -0.046 -12.926 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -16.398 1.337 -16.250 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -16.170 -2.097 -13.749 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -17.293 -0.046 -18.076 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -17.061 -3.481 -15.560 1.00 3.34 H new ATOM 0 HH TYR A 12 -17.458 -2.190 -18.809 1.00 3.82 H new ATOM 200 N ALA A 13 -17.892 0.693 -11.321 1.00 2.87 N ATOM 201 CA ALA A 13 -18.996 0.007 -10.662 1.00 2.66 C ATOM 202 C ALA A 13 -20.092 1.006 -10.335 1.00 2.78 C ATOM 203 O ALA A 13 -21.273 0.666 -10.249 1.00 2.70 O ATOM 204 CB ALA A 13 -18.517 -0.649 -9.389 1.00 2.47 C ATOM 0 H ALA A 13 -17.135 0.977 -10.700 1.00 2.87 H new ATOM 0 HA ALA A 13 -19.386 -0.760 -11.331 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -19.351 -1.158 -8.906 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -17.737 -1.373 -9.624 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -18.117 0.110 -8.717 1.00 2.47 H new ATOM 210 N GLY A 14 -19.673 2.244 -10.145 1.00 3.02 N ATOM 211 CA GLY A 14 -20.595 3.311 -9.846 1.00 3.22 C ATOM 212 C GLY A 14 -20.818 3.430 -8.368 1.00 3.21 C ATOM 213 O GLY A 14 -21.920 3.727 -7.905 1.00 3.28 O ATOM 0 H GLY A 14 -18.695 2.530 -10.194 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -20.207 4.252 -10.236 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -21.545 3.126 -10.347 1.00 3.22 H new ATOM 217 N VAL A 15 -19.759 3.155 -7.634 1.00 3.16 N ATOM 218 CA VAL A 15 -19.777 3.187 -6.186 1.00 3.22 C ATOM 219 C VAL A 15 -18.497 3.810 -5.667 1.00 3.39 C ATOM 220 O VAL A 15 -17.453 3.681 -6.301 1.00 3.33 O ATOM 221 CB VAL A 15 -19.933 1.779 -5.615 1.00 2.96 C ATOM 222 CG1 VAL A 15 -21.356 1.308 -5.764 1.00 2.89 C ATOM 223 CG2 VAL A 15 -19.004 0.842 -6.335 1.00 2.72 C ATOM 0 H VAL A 15 -18.854 2.901 -8.029 1.00 3.16 H new ATOM 0 HA VAL A 15 -20.628 3.788 -5.867 1.00 3.22 H new ATOM 0 HB VAL A 15 -19.683 1.795 -4.554 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -21.452 0.303 -5.353 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -22.021 1.985 -5.228 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -21.626 1.295 -6.820 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -19.114 -0.163 -5.928 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -19.248 0.833 -7.397 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -17.975 1.176 -6.202 1.00 2.72 H new ATOM 233 N SER A 16 -18.571 4.515 -4.553 1.00 3.63 N ATOM 234 CA SER A 16 -17.383 5.144 -4.002 1.00 3.82 C ATOM 235 C SER A 16 -16.291 4.113 -3.779 1.00 3.58 C ATOM 236 O SER A 16 -16.556 2.930 -3.548 1.00 3.34 O ATOM 237 CB SER A 16 -17.691 5.880 -2.704 1.00 4.13 C ATOM 238 OG SER A 16 -18.697 6.857 -2.905 1.00 4.34 O ATOM 0 H SER A 16 -19.426 4.666 -4.018 1.00 3.63 H new ATOM 0 HA SER A 16 -17.032 5.879 -4.726 1.00 3.82 H new ATOM 0 HB2 SER A 16 -18.016 5.168 -1.945 1.00 4.13 H new ATOM 0 HB3 SER A 16 -16.786 6.356 -2.327 1.00 4.13 H new ATOM 0 HG SER A 16 -18.881 7.316 -2.059 1.00 4.34 H new ATOM 244 N TYR A 17 -15.071 4.586 -3.849 1.00 3.68 N ATOM 245 CA TYR A 17 -13.895 3.755 -3.679 1.00 3.49 C ATOM 246 C TYR A 17 -13.947 2.984 -2.374 1.00 3.42 C ATOM 247 O TYR A 17 -13.784 1.763 -2.345 1.00 3.16 O ATOM 248 CB TYR A 17 -12.684 4.660 -3.685 1.00 3.71 C ATOM 249 CG TYR A 17 -11.424 3.938 -3.359 1.00 3.56 C ATOM 250 CD1 TYR A 17 -10.848 3.061 -4.261 1.00 3.31 C ATOM 251 CD2 TYR A 17 -10.815 4.138 -2.142 1.00 3.69 C ATOM 252 CE1 TYR A 17 -9.686 2.395 -3.945 1.00 3.18 C ATOM 253 CE2 TYR A 17 -9.662 3.487 -1.818 1.00 3.55 C ATOM 254 CZ TYR A 17 -9.086 2.594 -2.793 1.00 3.28 C ATOM 255 OH TYR A 17 -7.943 1.950 -2.388 1.00 3.16 O ATOM 0 H TYR A 17 -14.860 5.568 -4.027 1.00 3.68 H new ATOM 0 HA TYR A 17 -13.846 3.028 -4.489 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -12.588 5.125 -4.666 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -12.833 5.464 -2.965 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -11.314 2.898 -5.221 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -11.257 4.821 -1.432 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -9.261 1.699 -4.654 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -9.192 3.636 -0.857 1.00 3.55 H new ATOM 0 HH TYR A 17 -7.688 2.266 -1.496 1.00 3.16 H new ATOM 265 N GLN A 18 -14.201 3.713 -1.306 1.00 3.70 N ATOM 266 CA GLN A 18 -14.280 3.142 0.030 1.00 3.76 C ATOM 267 C GLN A 18 -15.360 2.061 0.117 1.00 3.60 C ATOM 268 O GLN A 18 -15.258 1.134 0.922 1.00 3.59 O ATOM 269 CB GLN A 18 -14.555 4.259 1.031 1.00 4.16 C ATOM 270 CG GLN A 18 -13.479 4.414 2.087 1.00 4.57 C ATOM 271 CD GLN A 18 -12.204 5.016 1.529 1.00 5.01 C ATOM 272 OE1 GLN A 18 -11.300 4.303 1.107 1.00 5.50 O ATOM 273 NE2 GLN A 18 -12.132 6.339 1.512 1.00 5.22 N ATOM 0 H GLN A 18 -14.359 4.720 -1.337 1.00 3.70 H new ATOM 0 HA GLN A 18 -13.329 2.663 0.264 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -14.659 5.200 0.491 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -15.508 4.067 1.523 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -13.853 5.045 2.893 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -13.257 3.439 2.522 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -12.906 6.897 1.873 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -11.302 6.800 1.138 1.00 5.22 H new ATOM 282 N THR A 19 -16.381 2.176 -0.725 1.00 3.52 N ATOM 283 CA THR A 19 -17.471 1.220 -0.750 1.00 3.39 C ATOM 284 C THR A 19 -16.996 -0.137 -1.238 1.00 3.07 C ATOM 285 O THR A 19 -17.025 -1.114 -0.491 1.00 3.08 O ATOM 286 CB THR A 19 -18.597 1.721 -1.678 1.00 3.36 C ATOM 287 OG1 THR A 19 -18.771 3.130 -1.494 1.00 3.65 O ATOM 288 CG2 THR A 19 -19.900 0.997 -1.404 1.00 3.31 C ATOM 0 H THR A 19 -16.472 2.932 -1.404 1.00 3.52 H new ATOM 0 HA THR A 19 -17.847 1.119 0.268 1.00 3.39 H new ATOM 0 HB THR A 19 -18.312 1.515 -2.710 1.00 3.36 H new ATOM 0 HG1 THR A 19 -19.485 3.451 -2.084 1.00 3.65 H new ATOM 0 HG21 THR A 19 -20.673 1.373 -2.074 1.00 3.31 H new ATOM 0 HG22 THR A 19 -19.764 -0.072 -1.570 1.00 3.31 H new ATOM 0 HG23 THR A 19 -20.201 1.168 -0.371 1.00 3.31 H new ATOM 296 N VAL A 20 -16.511 -0.179 -2.471 1.00 2.85 N ATOM 297 CA VAL A 20 -16.062 -1.427 -3.063 1.00 2.58 C ATOM 298 C VAL A 20 -14.841 -1.987 -2.347 1.00 2.57 C ATOM 299 O VAL A 20 -14.639 -3.197 -2.323 1.00 2.46 O ATOM 300 CB VAL A 20 -15.839 -1.310 -4.591 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.169 0.079 -5.089 1.00 2.61 C ATOM 302 CG2 VAL A 20 -14.438 -1.677 -5.025 1.00 2.31 C ATOM 0 H VAL A 20 -16.419 0.636 -3.078 1.00 2.85 H new ATOM 0 HA VAL A 20 -16.870 -2.146 -2.925 1.00 2.58 H new ATOM 0 HB VAL A 20 -16.520 -2.034 -5.038 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -16.002 0.129 -6.165 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.213 0.304 -4.873 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -15.530 0.806 -4.589 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -14.353 -1.572 -6.107 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -13.721 -1.015 -4.539 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.228 -2.709 -4.743 1.00 2.31 H new ATOM 312 N SER A 21 -14.033 -1.115 -1.770 1.00 2.73 N ATOM 313 CA SER A 21 -12.861 -1.562 -1.023 1.00 2.74 C ATOM 314 C SER A 21 -13.290 -2.520 0.090 1.00 2.85 C ATOM 315 O SER A 21 -12.695 -3.584 0.279 1.00 2.78 O ATOM 316 CB SER A 21 -12.100 -0.369 -0.437 1.00 2.97 C ATOM 317 OG SER A 21 -11.645 0.499 -1.461 1.00 3.19 O ATOM 0 H SER A 21 -14.161 -0.103 -1.801 1.00 2.73 H new ATOM 0 HA SER A 21 -12.192 -2.086 -1.706 1.00 2.74 H new ATOM 0 HB2 SER A 21 -12.748 0.179 0.247 1.00 2.97 H new ATOM 0 HB3 SER A 21 -11.251 -0.726 0.145 1.00 2.97 H new ATOM 0 HG SER A 21 -12.413 0.839 -1.966 1.00 3.19 H new ATOM 323 N ARG A 22 -14.346 -2.143 0.808 1.00 3.06 N ATOM 324 CA ARG A 22 -14.878 -2.969 1.883 1.00 3.25 C ATOM 325 C ARG A 22 -15.549 -4.197 1.290 1.00 3.12 C ATOM 326 O ARG A 22 -15.596 -5.259 1.905 1.00 3.25 O ATOM 327 CB ARG A 22 -15.852 -2.146 2.754 1.00 3.54 C ATOM 328 CG ARG A 22 -17.308 -2.601 2.696 1.00 3.73 C ATOM 329 CD ARG A 22 -18.175 -1.845 3.696 1.00 3.83 C ATOM 330 NE ARG A 22 -17.854 -2.198 5.086 1.00 3.92 N ATOM 331 CZ ARG A 22 -18.753 -2.269 6.077 1.00 4.17 C ATOM 332 NH1 ARG A 22 -20.035 -2.002 5.842 1.00 4.31 N ATOM 333 NH2 ARG A 22 -18.368 -2.609 7.306 1.00 4.44 N ATOM 0 H ARG A 22 -14.849 -1.268 0.662 1.00 3.06 H new ATOM 0 HA ARG A 22 -14.067 -3.304 2.530 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -15.514 -2.188 3.790 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -15.800 -1.102 2.444 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -17.697 -2.449 1.689 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -17.364 -3.670 2.901 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -18.039 -0.773 3.554 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -19.225 -2.062 3.501 1.00 3.83 H new ATOM 0 HE ARG A 22 -16.881 -2.403 5.312 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -20.338 -1.742 4.903 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -20.715 -2.058 6.600 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -17.387 -2.816 7.494 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -19.054 -2.662 8.059 1.00 4.44 H new ATOM 347 N VAL A 23 -16.052 -4.027 0.078 1.00 2.91 N ATOM 348 CA VAL A 23 -16.721 -5.089 -0.639 1.00 2.82 C ATOM 349 C VAL A 23 -15.720 -6.178 -1.021 1.00 2.72 C ATOM 350 O VAL A 23 -16.002 -7.367 -0.884 1.00 2.86 O ATOM 351 CB VAL A 23 -17.425 -4.546 -1.894 1.00 2.62 C ATOM 352 CG1 VAL A 23 -18.075 -5.664 -2.658 1.00 2.56 C ATOM 353 CG2 VAL A 23 -18.459 -3.490 -1.531 1.00 2.76 C ATOM 0 H VAL A 23 -16.005 -3.146 -0.433 1.00 2.91 H new ATOM 0 HA VAL A 23 -17.479 -5.519 0.015 1.00 2.82 H new ATOM 0 HB VAL A 23 -16.668 -4.080 -2.525 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -18.568 -5.261 -3.543 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -17.317 -6.386 -2.962 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.812 -6.157 -2.024 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -18.940 -3.125 -2.438 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -19.210 -3.927 -0.873 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -17.969 -2.661 -1.021 1.00 2.76 H new ATOM 363 N VAL A 24 -14.546 -5.756 -1.499 1.00 2.54 N ATOM 364 CA VAL A 24 -13.483 -6.686 -1.876 1.00 2.46 C ATOM 365 C VAL A 24 -13.008 -7.447 -0.641 1.00 2.68 C ATOM 366 O VAL A 24 -12.478 -8.556 -0.732 1.00 2.72 O ATOM 367 CB VAL A 24 -12.287 -5.946 -2.543 1.00 2.28 C ATOM 368 CG1 VAL A 24 -11.059 -6.839 -2.649 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.678 -5.436 -3.923 1.00 2.15 C ATOM 0 H VAL A 24 -14.309 -4.773 -1.634 1.00 2.54 H new ATOM 0 HA VAL A 24 -13.886 -7.387 -2.606 1.00 2.46 H new ATOM 0 HB VAL A 24 -12.033 -5.099 -1.905 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -10.246 -6.286 -3.120 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -10.752 -7.156 -1.652 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -11.298 -7.716 -3.251 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.830 -4.921 -4.374 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -12.969 -6.277 -4.553 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.515 -4.744 -3.831 1.00 2.15 H new ATOM 508 N THR A 34 -24.862 -3.712 -5.653 1.00 2.54 N ATOM 509 CA THR A 34 -23.634 -2.986 -5.436 1.00 2.50 C ATOM 510 C THR A 34 -22.436 -3.922 -5.409 1.00 2.40 C ATOM 511 O THR A 34 -21.424 -3.638 -6.038 1.00 2.28 O ATOM 512 CB THR A 34 -23.700 -2.169 -4.145 1.00 2.73 C ATOM 513 OG1 THR A 34 -24.725 -1.178 -4.283 1.00 2.86 O ATOM 514 CG2 THR A 34 -22.366 -1.506 -3.861 1.00 2.75 C ATOM 0 HA THR A 34 -23.509 -2.299 -6.273 1.00 2.50 H new ATOM 0 HB THR A 34 -23.930 -2.829 -3.309 1.00 2.73 H new ATOM 0 HG1 THR A 34 -25.473 -1.550 -4.796 1.00 2.86 H new ATOM 0 HG21 THR A 34 -22.435 -0.930 -2.938 1.00 2.75 H new ATOM 0 HG22 THR A 34 -21.595 -2.270 -3.755 1.00 2.75 H new ATOM 0 HG23 THR A 34 -22.107 -0.841 -4.685 1.00 2.75 H new ATOM 522 N ARG A 35 -22.561 -5.058 -4.735 1.00 2.51 N ATOM 523 CA ARG A 35 -21.453 -5.994 -4.668 1.00 2.50 C ATOM 524 C ARG A 35 -21.222 -6.564 -6.052 1.00 2.38 C ATOM 525 O ARG A 35 -20.089 -6.747 -6.489 1.00 2.33 O ATOM 526 CB ARG A 35 -21.735 -7.118 -3.672 1.00 2.77 C ATOM 527 CG ARG A 35 -21.791 -6.639 -2.234 1.00 2.94 C ATOM 528 CD ARG A 35 -21.822 -7.799 -1.251 1.00 3.35 C ATOM 529 NE ARG A 35 -22.770 -8.840 -1.647 1.00 3.39 N ATOM 530 CZ ARG A 35 -23.625 -9.429 -0.809 1.00 3.73 C ATOM 531 NH1 ARG A 35 -23.723 -9.020 0.454 1.00 4.16 N ATOM 532 NH2 ARG A 35 -24.398 -10.416 -1.246 1.00 3.92 N ATOM 0 H ARG A 35 -23.403 -5.348 -4.237 1.00 2.51 H new ATOM 0 HA ARG A 35 -20.562 -5.470 -4.323 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -22.682 -7.593 -3.928 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -20.961 -7.880 -3.765 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -20.925 -6.010 -2.027 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -22.676 -6.019 -2.092 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -20.824 -8.231 -1.171 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -22.088 -7.426 -0.262 1.00 3.35 H new ATOM 0 HE ARG A 35 -22.778 -9.134 -2.624 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -23.142 -8.251 0.788 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -24.379 -9.476 1.088 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -24.336 -10.720 -2.218 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -25.054 -10.870 -0.610 1.00 3.92 H new ATOM 546 N GLU A 36 -22.325 -6.800 -6.741 1.00 2.39 N ATOM 547 CA GLU A 36 -22.306 -7.329 -8.090 1.00 2.38 C ATOM 548 C GLU A 36 -21.718 -6.299 -9.036 1.00 2.27 C ATOM 549 O GLU A 36 -21.098 -6.644 -10.032 1.00 2.33 O ATOM 550 CB GLU A 36 -23.721 -7.699 -8.534 1.00 2.47 C ATOM 551 CG GLU A 36 -24.422 -8.651 -7.582 1.00 2.59 C ATOM 552 CD GLU A 36 -24.038 -10.102 -7.816 1.00 3.03 C ATOM 553 OE1 GLU A 36 -24.029 -10.541 -8.987 1.00 3.21 O ATOM 554 OE2 GLU A 36 -23.717 -10.805 -6.830 1.00 3.55 O ATOM 0 H GLU A 36 -23.262 -6.629 -6.377 1.00 2.39 H new ATOM 0 HA GLU A 36 -21.689 -8.227 -8.109 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -24.314 -6.789 -8.628 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -23.676 -8.154 -9.523 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -24.179 -8.376 -6.556 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -25.501 -8.542 -7.695 1.00 2.59 H new ATOM 561 N LYS A 37 -21.920 -5.027 -8.707 1.00 2.21 N ATOM 562 CA LYS A 37 -21.412 -3.932 -9.515 1.00 2.23 C ATOM 563 C LYS A 37 -19.908 -3.831 -9.364 1.00 2.19 C ATOM 564 O LYS A 37 -19.192 -3.711 -10.356 1.00 2.26 O ATOM 565 CB LYS A 37 -22.069 -2.611 -9.114 1.00 2.31 C ATOM 566 CG LYS A 37 -23.000 -2.046 -10.177 1.00 2.44 C ATOM 567 CD LYS A 37 -24.271 -1.477 -9.562 1.00 2.48 C ATOM 568 CE LYS A 37 -23.976 -0.353 -8.581 1.00 2.57 C ATOM 569 NZ LYS A 37 -23.750 0.949 -9.274 1.00 2.84 N ATOM 0 H LYS A 37 -22.437 -4.731 -7.879 1.00 2.21 H new ATOM 0 HA LYS A 37 -21.654 -4.133 -10.559 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.631 -2.760 -8.192 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -21.291 -1.879 -8.898 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -22.484 -1.265 -10.736 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -23.259 -2.830 -10.889 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -24.922 -1.106 -10.354 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -24.813 -2.272 -9.050 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -24.808 -0.253 -7.884 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -23.095 -0.608 -7.992 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -23.620 1.700 -8.567 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -22.900 0.882 -9.869 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -24.573 1.173 -9.869 1.00 2.84 H new ATOM 583 N VAL A 38 -19.429 -3.884 -8.124 1.00 2.13 N ATOM 584 CA VAL A 38 -17.992 -3.814 -7.877 1.00 2.10 C ATOM 585 C VAL A 38 -17.329 -5.058 -8.461 1.00 2.10 C ATOM 586 O VAL A 38 -16.316 -4.966 -9.156 1.00 2.14 O ATOM 587 CB VAL A 38 -17.652 -3.666 -6.378 1.00 2.11 C ATOM 588 CG1 VAL A 38 -18.670 -2.784 -5.673 1.00 2.26 C ATOM 589 CG2 VAL A 38 -17.520 -5.002 -5.684 1.00 2.12 C ATOM 0 H VAL A 38 -20.004 -3.974 -7.287 1.00 2.13 H new ATOM 0 HA VAL A 38 -17.607 -2.919 -8.366 1.00 2.10 H new ATOM 0 HB VAL A 38 -16.678 -3.181 -6.320 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -18.407 -2.696 -4.619 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -18.672 -1.794 -6.130 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -19.661 -3.228 -5.764 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -17.280 -4.844 -4.632 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -18.460 -5.548 -5.764 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -16.724 -5.579 -6.154 1.00 2.12 H new ATOM 599 N GLU A 39 -17.928 -6.216 -8.185 1.00 2.16 N ATOM 600 CA GLU A 39 -17.434 -7.485 -8.700 1.00 2.30 C ATOM 601 C GLU A 39 -17.447 -7.460 -10.215 1.00 2.42 C ATOM 602 O GLU A 39 -16.517 -7.946 -10.851 1.00 2.56 O ATOM 603 CB GLU A 39 -18.256 -8.668 -8.174 1.00 2.46 C ATOM 604 CG GLU A 39 -17.724 -9.223 -6.863 1.00 2.53 C ATOM 605 CD GLU A 39 -18.254 -10.610 -6.540 1.00 2.89 C ATOM 606 OE1 GLU A 39 -19.382 -10.713 -6.013 1.00 3.27 O ATOM 607 OE2 GLU A 39 -17.559 -11.607 -6.830 1.00 3.12 O ATOM 0 H GLU A 39 -18.762 -6.297 -7.603 1.00 2.16 H new ATOM 0 HA GLU A 39 -16.411 -7.620 -8.349 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -19.290 -8.352 -8.036 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -18.262 -9.461 -8.922 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -16.635 -9.258 -6.906 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -17.989 -8.542 -6.054 1.00 2.53 H new ATOM 614 N ALA A 40 -18.501 -6.891 -10.793 1.00 2.42 N ATOM 615 CA ALA A 40 -18.581 -6.772 -12.236 1.00 2.60 C ATOM 616 C ALA A 40 -17.458 -5.890 -12.709 1.00 2.65 C ATOM 617 O ALA A 40 -16.645 -6.304 -13.514 1.00 2.86 O ATOM 618 CB ALA A 40 -19.907 -6.186 -12.694 1.00 2.61 C ATOM 0 H ALA A 40 -19.301 -6.511 -10.287 1.00 2.42 H new ATOM 0 HA ALA A 40 -18.502 -7.772 -12.662 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -19.918 -6.117 -13.782 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -20.723 -6.829 -12.363 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.032 -5.191 -12.266 1.00 2.61 H new ATOM 624 N ALA A 41 -17.390 -4.686 -12.155 1.00 2.52 N ATOM 625 CA ALA A 41 -16.368 -3.733 -12.531 1.00 2.63 C ATOM 626 C ALA A 41 -14.966 -4.326 -12.496 1.00 2.66 C ATOM 627 O ALA A 41 -14.232 -4.235 -13.475 1.00 2.89 O ATOM 628 CB ALA A 41 -16.446 -2.544 -11.611 1.00 2.54 C ATOM 0 H ALA A 41 -18.036 -4.351 -11.441 1.00 2.52 H new ATOM 0 HA ALA A 41 -16.556 -3.435 -13.563 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -15.679 -1.820 -11.887 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -17.429 -2.082 -11.697 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -16.286 -2.868 -10.583 1.00 2.54 H new ATOM 634 N MET A 42 -14.601 -4.954 -11.391 1.00 2.47 N ATOM 635 CA MET A 42 -13.279 -5.555 -11.280 1.00 2.49 C ATOM 636 C MET A 42 -13.138 -6.702 -12.271 1.00 2.73 C ATOM 637 O MET A 42 -12.055 -6.958 -12.773 1.00 2.88 O ATOM 638 CB MET A 42 -12.970 -6.018 -9.853 1.00 2.29 C ATOM 639 CG MET A 42 -13.917 -7.064 -9.316 1.00 2.26 C ATOM 640 SD MET A 42 -13.779 -7.252 -7.535 1.00 2.15 S ATOM 641 CE MET A 42 -14.016 -5.548 -7.057 1.00 2.02 C ATOM 0 H MET A 42 -15.192 -5.061 -10.566 1.00 2.47 H new ATOM 0 HA MET A 42 -12.546 -4.786 -11.524 1.00 2.49 H new ATOM 0 HB2 MET A 42 -11.956 -6.416 -9.825 1.00 2.29 H new ATOM 0 HB3 MET A 42 -12.991 -5.152 -9.191 1.00 2.29 H new ATOM 0 HG2 MET A 42 -14.941 -6.791 -9.573 1.00 2.26 H new ATOM 0 HG3 MET A 42 -13.711 -8.020 -9.798 1.00 2.26 H new ATOM 0 HE1 MET A 42 -14.434 -5.507 -6.051 1.00 2.02 H new ATOM 0 HE2 MET A 42 -13.058 -5.029 -7.073 1.00 2.02 H new ATOM 0 HE3 MET A 42 -14.701 -5.066 -7.755 1.00 2.02 H new ATOM 651 N ALA A 43 -14.241 -7.388 -12.545 1.00 2.80 N ATOM 652 CA ALA A 43 -14.224 -8.523 -13.467 1.00 3.09 C ATOM 653 C ALA A 43 -14.040 -8.055 -14.904 1.00 3.36 C ATOM 654 O ALA A 43 -13.223 -8.601 -15.646 1.00 3.60 O ATOM 655 CB ALA A 43 -15.496 -9.350 -13.341 1.00 3.15 C ATOM 0 H ALA A 43 -15.156 -7.181 -12.145 1.00 2.80 H new ATOM 0 HA ALA A 43 -13.377 -9.153 -13.198 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -15.456 -10.187 -14.038 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -15.584 -9.729 -12.323 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -16.360 -8.726 -13.572 1.00 3.15 H new ATOM 661 N GLU A 44 -14.801 -7.033 -15.282 1.00 3.34 N ATOM 662 CA GLU A 44 -14.744 -6.483 -16.629 1.00 3.63 C ATOM 663 C GLU A 44 -13.391 -5.839 -16.878 1.00 3.73 C ATOM 664 O GLU A 44 -12.781 -6.025 -17.931 1.00 4.02 O ATOM 665 CB GLU A 44 -15.829 -5.430 -16.826 1.00 3.61 C ATOM 666 CG GLU A 44 -17.182 -5.784 -16.238 1.00 3.44 C ATOM 667 CD GLU A 44 -17.853 -6.983 -16.896 1.00 3.74 C ATOM 668 OE1 GLU A 44 -18.600 -6.787 -17.877 1.00 4.09 O ATOM 669 OE2 GLU A 44 -17.660 -8.123 -16.415 1.00 3.86 O ATOM 0 H GLU A 44 -15.469 -6.567 -14.668 1.00 3.34 H new ATOM 0 HA GLU A 44 -14.900 -7.302 -17.331 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -15.490 -4.494 -16.382 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -15.950 -5.250 -17.894 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -17.061 -5.988 -15.174 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -17.841 -4.920 -16.325 1.00 3.44 H new ATOM 676 N LEU A 45 -12.926 -5.074 -15.897 1.00 3.50 N ATOM 677 CA LEU A 45 -11.634 -4.408 -16.008 1.00 3.59 C ATOM 678 C LEU A 45 -10.509 -5.385 -15.686 1.00 3.56 C ATOM 679 O LEU A 45 -9.330 -5.026 -15.737 1.00 3.63 O ATOM 680 CB LEU A 45 -11.546 -3.210 -15.053 1.00 3.41 C ATOM 681 CG LEU A 45 -12.769 -2.289 -15.006 1.00 3.38 C ATOM 682 CD1 LEU A 45 -12.446 -1.010 -14.242 1.00 3.36 C ATOM 683 CD2 LEU A 45 -13.269 -1.982 -16.410 1.00 3.71 C ATOM 0 H LEU A 45 -13.420 -4.900 -15.022 1.00 3.50 H new ATOM 0 HA LEU A 45 -11.532 -4.051 -17.033 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -11.363 -3.587 -14.047 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -10.678 -2.613 -15.332 1.00 3.41 H new ATOM 0 HG LEU A 45 -13.569 -2.805 -14.475 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -13.326 -0.368 -14.219 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -12.152 -1.260 -13.223 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -11.628 -0.487 -14.738 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -14.138 -1.326 -16.352 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -12.480 -1.489 -16.978 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -13.548 -2.911 -16.908 1.00 3.71 H new ATOM 695 N ASN A 46 -10.892 -6.619 -15.364 1.00 3.49 N ATOM 696 CA ASN A 46 -9.960 -7.700 -15.007 1.00 3.50 C ATOM 697 C ASN A 46 -9.340 -7.454 -13.627 1.00 3.19 C ATOM 698 O ASN A 46 -9.234 -8.377 -12.820 1.00 3.08 O ATOM 699 CB ASN A 46 -8.868 -7.880 -16.067 1.00 3.80 C ATOM 700 CG ASN A 46 -7.917 -9.022 -15.747 1.00 3.84 C ATOM 701 OD1 ASN A 46 -8.289 -10.003 -15.099 1.00 4.18 O ATOM 702 ND2 ASN A 46 -6.680 -8.910 -16.210 1.00 3.81 N ATOM 0 H ASN A 46 -11.871 -6.905 -15.342 1.00 3.49 H new ATOM 0 HA ASN A 46 -10.535 -8.625 -14.967 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.335 -8.063 -17.035 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -8.299 -6.954 -16.157 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -6.001 -9.650 -16.034 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -6.408 -8.084 -16.742 1.00 3.81 H new ATOM 1030 N THR B 5 5.724 -9.642 4.307 1.00 2.76 N ATOM 1031 CA THR B 5 5.825 -8.300 3.786 1.00 2.63 C ATOM 1032 C THR B 5 7.285 -8.065 3.541 1.00 2.52 C ATOM 1033 O THR B 5 8.121 -8.744 4.136 1.00 2.57 O ATOM 1034 CB THR B 5 5.319 -7.216 4.762 1.00 2.87 C ATOM 1035 OG1 THR B 5 5.942 -7.367 6.042 1.00 3.17 O ATOM 1036 CG2 THR B 5 3.813 -7.253 4.913 1.00 2.93 C ATOM 0 HA THR B 5 5.205 -8.224 2.893 1.00 2.63 H new ATOM 0 HB THR B 5 5.589 -6.247 4.341 1.00 2.87 H new ATOM 0 HG1 THR B 5 6.081 -8.319 6.228 1.00 3.17 H new ATOM 0 HG21 THR B 5 3.498 -6.475 5.608 1.00 2.93 H new ATOM 0 HG22 THR B 5 3.346 -7.084 3.943 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.510 -8.227 5.297 1.00 2.93 H new ATOM 1044 N LEU B 6 7.626 -7.149 2.673 1.00 2.40 N ATOM 1045 CA LEU B 6 9.033 -6.890 2.451 1.00 2.35 C ATOM 1046 C LEU B 6 9.676 -6.414 3.763 1.00 2.56 C ATOM 1047 O LEU B 6 10.889 -6.484 3.949 1.00 2.56 O ATOM 1048 CB LEU B 6 9.231 -5.915 1.307 1.00 2.33 C ATOM 1049 CG LEU B 6 10.030 -6.466 0.145 1.00 2.21 C ATOM 1050 CD1 LEU B 6 10.367 -5.365 -0.841 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.286 -7.153 0.646 1.00 2.15 C ATOM 0 H LEU B 6 6.978 -6.585 2.123 1.00 2.40 H new ATOM 0 HA LEU B 6 9.535 -7.810 2.151 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.254 -5.599 0.942 1.00 2.33 H new ATOM 0 HB3 LEU B 6 9.733 -5.025 1.687 1.00 2.33 H new ATOM 0 HG LEU B 6 9.423 -7.207 -0.375 1.00 2.21 H new ATOM 0 HD11 LEU B 6 10.941 -5.781 -1.669 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.446 -4.925 -1.223 1.00 2.35 H new ATOM 0 HD13 LEU B 6 10.956 -4.596 -0.341 1.00 2.35 H new ATOM 0 HD21 LEU B 6 11.850 -7.544 -0.201 1.00 2.15 H new ATOM 0 HD22 LEU B 6 11.900 -6.436 1.191 1.00 2.15 H new ATOM 0 HD23 LEU B 6 11.012 -7.974 1.309 1.00 2.15 H new ATOM 1063 N TYR B 7 8.816 -5.935 4.666 1.00 2.79 N ATOM 1064 CA TYR B 7 9.215 -5.480 6.004 1.00 3.08 C ATOM 1065 C TYR B 7 9.765 -6.655 6.807 1.00 3.12 C ATOM 1066 O TYR B 7 10.732 -6.535 7.556 1.00 3.25 O ATOM 1067 CB TYR B 7 8.002 -4.920 6.756 1.00 3.33 C ATOM 1068 CG TYR B 7 7.850 -3.419 6.732 1.00 3.53 C ATOM 1069 CD1 TYR B 7 8.974 -2.615 6.621 1.00 3.59 C ATOM 1070 CD2 TYR B 7 6.605 -2.802 6.795 1.00 3.70 C ATOM 1071 CE1 TYR B 7 8.867 -1.240 6.573 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.491 -1.428 6.752 1.00 3.93 C ATOM 1073 CZ TYR B 7 7.522 -0.660 6.737 1.00 4.03 C ATOM 1074 OH TYR B 7 7.504 0.717 6.592 1.00 4.28 O ATOM 0 H TYR B 7 7.815 -5.851 4.489 1.00 2.79 H new ATOM 0 HA TYR B 7 9.975 -4.707 5.890 1.00 3.08 H new ATOM 0 HB2 TYR B 7 7.100 -5.364 6.335 1.00 3.33 H new ATOM 0 HB3 TYR B 7 8.061 -5.244 7.795 1.00 3.33 H new ATOM 0 HD1 TYR B 7 9.951 -3.073 6.571 1.00 3.59 H new ATOM 0 HD2 TYR B 7 5.715 -3.407 6.879 1.00 3.70 H new ATOM 0 HE1 TYR B 7 9.734 -0.614 6.421 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.507 -0.984 6.730 1.00 3.93 H new ATOM 0 HH TYR B 7 6.589 1.046 6.709 1.00 4.28 H new ATOM 1084 N ASP B 8 9.119 -7.794 6.604 1.00 3.03 N ATOM 1085 CA ASP B 8 9.439 -9.044 7.282 1.00 3.14 C ATOM 1086 C ASP B 8 10.816 -9.511 6.866 1.00 2.96 C ATOM 1087 O ASP B 8 11.635 -9.903 7.699 1.00 3.10 O ATOM 1088 CB ASP B 8 8.379 -10.103 6.931 1.00 3.13 C ATOM 1089 CG ASP B 8 7.116 -9.987 7.759 1.00 3.41 C ATOM 1090 OD1 ASP B 8 7.176 -10.206 8.990 1.00 3.77 O ATOM 1091 OD2 ASP B 8 6.050 -9.692 7.171 1.00 3.29 O ATOM 0 H ASP B 8 8.341 -7.878 5.950 1.00 3.03 H new ATOM 0 HA ASP B 8 9.437 -8.889 8.361 1.00 3.14 H new ATOM 0 HB2 ASP B 8 8.122 -10.013 5.875 1.00 3.13 H new ATOM 0 HB3 ASP B 8 8.807 -11.095 7.072 1.00 3.13 H new ATOM 1096 N VAL B 9 11.070 -9.436 5.567 1.00 2.68 N ATOM 1097 CA VAL B 9 12.337 -9.843 5.008 1.00 2.52 C ATOM 1098 C VAL B 9 13.423 -8.894 5.466 1.00 2.58 C ATOM 1099 O VAL B 9 14.522 -9.299 5.817 1.00 2.60 O ATOM 1100 CB VAL B 9 12.276 -9.851 3.473 1.00 2.28 C ATOM 1101 CG1 VAL B 9 13.638 -10.139 2.888 1.00 2.17 C ATOM 1102 CG2 VAL B 9 11.258 -10.863 2.987 1.00 2.28 C ATOM 0 H VAL B 9 10.401 -9.091 4.879 1.00 2.68 H new ATOM 0 HA VAL B 9 12.560 -10.852 5.353 1.00 2.52 H new ATOM 0 HB VAL B 9 11.963 -8.863 3.136 1.00 2.28 H new ATOM 0 HG11 VAL B 9 13.574 -10.140 1.800 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.342 -9.371 3.209 1.00 2.17 H new ATOM 0 HG13 VAL B 9 13.983 -11.114 3.232 1.00 2.17 H new ATOM 0 HG21 VAL B 9 11.228 -10.855 1.897 1.00 2.28 H new ATOM 0 HG22 VAL B 9 11.539 -11.857 3.335 1.00 2.28 H new ATOM 0 HG23 VAL B 9 10.274 -10.606 3.379 1.00 2.28 H new ATOM 1112 N ALA B 10 13.074 -7.626 5.456 1.00 2.67 N ATOM 1113 CA ALA B 10 13.981 -6.560 5.860 1.00 2.84 C ATOM 1114 C ALA B 10 14.432 -6.732 7.297 1.00 3.09 C ATOM 1115 O ALA B 10 15.624 -6.669 7.598 1.00 3.13 O ATOM 1116 CB ALA B 10 13.275 -5.234 5.671 1.00 2.99 C ATOM 0 H ALA B 10 12.152 -7.299 5.168 1.00 2.67 H new ATOM 0 HA ALA B 10 14.878 -6.595 5.241 1.00 2.84 H new ATOM 0 HB1 ALA B 10 13.939 -4.423 5.969 1.00 2.99 H new ATOM 0 HB2 ALA B 10 13.002 -5.113 4.623 1.00 2.99 H new ATOM 0 HB3 ALA B 10 12.375 -5.210 6.285 1.00 2.99 H new ATOM 1122 N GLU B 11 13.481 -6.993 8.169 1.00 3.27 N ATOM 1123 CA GLU B 11 13.777 -7.177 9.579 1.00 3.56 C ATOM 1124 C GLU B 11 14.642 -8.407 9.753 1.00 3.49 C ATOM 1125 O GLU B 11 15.652 -8.385 10.453 1.00 3.61 O ATOM 1126 CB GLU B 11 12.489 -7.289 10.395 1.00 3.79 C ATOM 1127 CG GLU B 11 11.854 -5.942 10.699 1.00 4.20 C ATOM 1128 CD GLU B 11 12.641 -5.144 11.719 1.00 4.71 C ATOM 1129 OE1 GLU B 11 13.796 -4.774 11.425 1.00 4.85 O ATOM 1130 OE2 GLU B 11 12.114 -4.878 12.819 1.00 5.21 O ATOM 0 H GLU B 11 12.494 -7.083 7.928 1.00 3.27 H new ATOM 0 HA GLU B 11 14.321 -6.307 9.948 1.00 3.56 H new ATOM 0 HB2 GLU B 11 11.774 -7.906 9.851 1.00 3.79 H new ATOM 0 HB3 GLU B 11 12.704 -7.802 11.332 1.00 3.79 H new ATOM 0 HG2 GLU B 11 11.773 -5.366 9.777 1.00 4.20 H new ATOM 0 HG3 GLU B 11 10.840 -6.097 11.068 1.00 4.20 H new ATOM 1137 N TYR B 12 14.216 -9.483 9.115 1.00 3.31 N ATOM 1138 CA TYR B 12 14.929 -10.745 9.156 1.00 3.27 C ATOM 1139 C TYR B 12 16.334 -10.614 8.561 1.00 3.07 C ATOM 1140 O TYR B 12 17.239 -11.363 8.927 1.00 3.12 O ATOM 1141 CB TYR B 12 14.132 -11.795 8.394 1.00 3.15 C ATOM 1142 CG TYR B 12 14.701 -13.186 8.485 1.00 3.21 C ATOM 1143 CD1 TYR B 12 14.847 -13.833 9.703 1.00 3.52 C ATOM 1144 CD2 TYR B 12 15.089 -13.850 7.340 1.00 3.01 C ATOM 1145 CE1 TYR B 12 15.366 -15.112 9.768 1.00 3.62 C ATOM 1146 CE2 TYR B 12 15.605 -15.119 7.388 1.00 3.12 C ATOM 1147 CZ TYR B 12 15.744 -15.754 8.606 1.00 3.42 C ATOM 1148 OH TYR B 12 16.261 -17.028 8.665 1.00 3.57 O ATOM 0 H TYR B 12 13.365 -9.505 8.554 1.00 3.31 H new ATOM 0 HA TYR B 12 15.040 -11.047 10.197 1.00 3.27 H new ATOM 0 HB2 TYR B 12 13.111 -11.807 8.774 1.00 3.15 H new ATOM 0 HB3 TYR B 12 14.078 -11.504 7.345 1.00 3.15 H new ATOM 0 HD1 TYR B 12 14.551 -13.331 10.612 1.00 3.52 H new ATOM 0 HD2 TYR B 12 14.984 -13.359 6.384 1.00 3.01 H new ATOM 0 HE1 TYR B 12 15.475 -15.606 10.722 1.00 3.62 H new ATOM 0 HE2 TYR B 12 15.901 -15.619 6.478 1.00 3.12 H new ATOM 0 HH TYR B 12 15.879 -17.501 9.434 1.00 3.57 H new ATOM 1158 N ALA B 13 16.520 -9.665 7.643 1.00 2.88 N ATOM 1159 CA ALA B 13 17.818 -9.477 7.012 1.00 2.72 C ATOM 1160 C ALA B 13 18.682 -8.562 7.875 1.00 2.94 C ATOM 1161 O ALA B 13 19.911 -8.591 7.813 1.00 2.90 O ATOM 1162 CB ALA B 13 17.649 -8.892 5.629 1.00 2.52 C ATOM 0 H ALA B 13 15.794 -9.023 7.325 1.00 2.88 H new ATOM 0 HA ALA B 13 18.311 -10.444 6.917 1.00 2.72 H new ATOM 0 HB1 ALA B 13 18.628 -8.757 5.169 1.00 2.52 H new ATOM 0 HB2 ALA B 13 17.051 -9.569 5.018 1.00 2.52 H new ATOM 0 HB3 ALA B 13 17.146 -7.928 5.701 1.00 2.52 H new ATOM 1168 N GLY B 14 18.004 -7.723 8.653 1.00 3.18 N ATOM 1169 CA GLY B 14 18.671 -6.813 9.553 1.00 3.46 C ATOM 1170 C GLY B 14 19.000 -5.520 8.867 1.00 3.50 C ATOM 1171 O GLY B 14 20.019 -4.882 9.140 1.00 3.66 O ATOM 0 H GLY B 14 16.986 -7.662 8.671 1.00 3.18 H new ATOM 0 HA2 GLY B 14 18.035 -6.619 10.416 1.00 3.46 H new ATOM 0 HA3 GLY B 14 19.586 -7.272 9.928 1.00 3.46 H new ATOM 1175 N VAL B 15 18.129 -5.165 7.941 1.00 3.38 N ATOM 1176 CA VAL B 15 18.286 -3.981 7.117 1.00 3.45 C ATOM 1177 C VAL B 15 16.952 -3.293 6.875 1.00 3.53 C ATOM 1178 O VAL B 15 15.903 -3.947 6.918 1.00 3.41 O ATOM 1179 CB VAL B 15 18.938 -4.344 5.779 1.00 3.19 C ATOM 1180 CG1 VAL B 15 20.420 -4.603 5.976 1.00 3.17 C ATOM 1181 CG2 VAL B 15 18.280 -5.578 5.215 1.00 2.87 C ATOM 0 H VAL B 15 17.283 -5.697 7.737 1.00 3.38 H new ATOM 0 HA VAL B 15 18.933 -3.287 7.654 1.00 3.45 H new ATOM 0 HB VAL B 15 18.811 -3.514 5.084 1.00 3.19 H new ATOM 0 HG11 VAL B 15 20.875 -4.860 5.019 1.00 3.17 H new ATOM 0 HG12 VAL B 15 20.896 -3.707 6.375 1.00 3.17 H new ATOM 0 HG13 VAL B 15 20.555 -5.428 6.676 1.00 3.17 H new ATOM 0 HG21 VAL B 15 18.745 -5.835 4.263 1.00 2.87 H new ATOM 0 HG22 VAL B 15 18.401 -6.406 5.913 1.00 2.87 H new ATOM 0 HG23 VAL B 15 17.218 -5.386 5.060 1.00 2.87 H new ATOM 1191 N SER B 16 16.986 -1.977 6.688 1.00 3.79 N ATOM 1192 CA SER B 16 15.766 -1.212 6.425 1.00 3.90 C ATOM 1193 C SER B 16 14.961 -1.862 5.316 1.00 3.60 C ATOM 1194 O SER B 16 15.494 -2.581 4.457 1.00 3.35 O ATOM 1195 CB SER B 16 16.127 0.210 6.018 1.00 4.20 C ATOM 1196 OG SER B 16 17.007 0.811 6.955 1.00 4.38 O ATOM 0 H SER B 16 17.839 -1.418 6.713 1.00 3.79 H new ATOM 0 HA SER B 16 15.166 -1.193 7.335 1.00 3.90 H new ATOM 0 HB2 SER B 16 16.594 0.200 5.033 1.00 4.20 H new ATOM 0 HB3 SER B 16 15.219 0.807 5.935 1.00 4.20 H new ATOM 0 HG SER B 16 17.221 1.722 6.665 1.00 4.38 H new ATOM 1202 N TYR B 17 13.676 -1.582 5.334 1.00 3.62 N ATOM 1203 CA TYR B 17 12.749 -2.114 4.369 1.00 3.38 C ATOM 1204 C TYR B 17 13.244 -1.816 2.987 1.00 3.32 C ATOM 1205 O TYR B 17 13.462 -2.723 2.197 1.00 3.10 O ATOM 1206 CB TYR B 17 11.431 -1.399 4.547 1.00 3.51 C ATOM 1207 CG TYR B 17 10.380 -1.778 3.548 1.00 3.30 C ATOM 1208 CD1 TYR B 17 9.860 -3.030 3.595 1.00 3.03 C ATOM 1209 CD2 TYR B 17 9.891 -0.888 2.590 1.00 3.42 C ATOM 1210 CE1 TYR B 17 8.892 -3.421 2.733 1.00 2.87 C ATOM 1211 CE2 TYR B 17 8.907 -1.281 1.703 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.408 -2.556 1.789 1.00 2.94 C ATOM 1213 OH TYR B 17 7.454 -2.987 0.914 1.00 2.85 O ATOM 0 H TYR B 17 13.245 -0.972 6.028 1.00 3.62 H new ATOM 0 HA TYR B 17 12.644 -3.190 4.508 1.00 3.38 H new ATOM 0 HB2 TYR B 17 11.053 -1.604 5.549 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.603 -0.325 4.485 1.00 3.51 H new ATOM 0 HD1 TYR B 17 10.225 -3.728 4.334 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.285 0.116 2.542 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.498 -4.425 2.791 1.00 2.87 H new ATOM 0 HE2 TYR B 17 8.537 -0.596 0.955 1.00 3.26 H new ATOM 0 HH TYR B 17 7.213 -2.256 0.307 1.00 2.85 H new ATOM 1223 N GLN B 18 13.431 -0.548 2.675 1.00 3.58 N ATOM 1224 CA GLN B 18 13.962 -0.210 1.372 1.00 3.64 C ATOM 1225 C GLN B 18 15.492 -0.371 1.252 1.00 3.63 C ATOM 1226 O GLN B 18 16.173 0.297 0.428 1.00 3.77 O ATOM 1227 CB GLN B 18 13.402 1.071 0.757 1.00 3.96 C ATOM 1228 CG GLN B 18 12.684 1.964 1.742 1.00 4.35 C ATOM 1229 CD GLN B 18 13.573 3.068 2.265 1.00 4.69 C ATOM 1230 OE1 GLN B 18 13.166 4.214 2.385 1.00 5.01 O ATOM 1231 NE2 GLN B 18 14.800 2.698 2.595 1.00 5.04 N ATOM 0 H GLN B 18 13.230 0.243 3.286 1.00 3.58 H new ATOM 0 HA GLN B 18 13.562 -0.987 0.720 1.00 3.64 H new ATOM 0 HB2 GLN B 18 14.220 1.631 0.304 1.00 3.96 H new ATOM 0 HB3 GLN B 18 12.714 0.806 -0.045 1.00 3.96 H new ATOM 0 HG2 GLN B 18 11.809 2.401 1.262 1.00 4.35 H new ATOM 0 HG3 GLN B 18 12.323 1.364 2.577 1.00 4.35 H new ATOM 0 HE21 GLN B 18 15.090 1.727 2.475 1.00 5.04 H new ATOM 0 HE22 GLN B 18 15.456 3.383 2.970 1.00 5.04 H new ATOM 1240 N THR B 19 16.067 -1.187 2.137 1.00 3.52 N ATOM 1241 CA THR B 19 17.436 -1.560 1.949 1.00 3.47 C ATOM 1242 C THR B 19 17.307 -2.638 0.916 1.00 3.18 C ATOM 1243 O THR B 19 17.804 -2.543 -0.193 1.00 3.24 O ATOM 1244 CB THR B 19 18.090 -2.097 3.232 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.073 -1.070 4.226 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.512 -2.600 3.009 1.00 3.34 C ATOM 0 H THR B 19 15.610 -1.582 2.959 1.00 3.52 H new ATOM 0 HA THR B 19 18.074 -0.724 1.663 1.00 3.47 H new ATOM 0 HB THR B 19 17.512 -2.959 3.565 1.00 3.43 H new ATOM 0 HG1 THR B 19 18.135 -0.194 3.792 1.00 3.78 H new ATOM 0 HG21 THR B 19 19.920 -2.966 3.951 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.501 -3.409 2.279 1.00 3.34 H new ATOM 0 HG23 THR B 19 20.132 -1.784 2.637 1.00 3.34 H new ATOM 1254 N VAL B 20 16.568 -3.659 1.353 1.00 2.93 N ATOM 1255 CA VAL B 20 16.217 -4.809 0.560 1.00 2.66 C ATOM 1256 C VAL B 20 15.152 -4.508 -0.492 1.00 2.69 C ATOM 1257 O VAL B 20 15.120 -5.140 -1.542 1.00 2.62 O ATOM 1258 CB VAL B 20 15.756 -5.982 1.451 1.00 2.44 C ATOM 1259 CG1 VAL B 20 15.911 -5.636 2.909 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.334 -6.418 1.207 1.00 2.33 C ATOM 0 H VAL B 20 16.192 -3.697 2.300 1.00 2.93 H new ATOM 0 HA VAL B 20 17.126 -5.094 0.030 1.00 2.66 H new ATOM 0 HB VAL B 20 16.402 -6.817 1.178 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.580 -6.476 3.520 1.00 2.57 H new ATOM 0 HG12 VAL B 20 16.958 -5.422 3.123 1.00 2.57 H new ATOM 0 HG13 VAL B 20 15.307 -4.759 3.141 1.00 2.57 H new ATOM 0 HG21 VAL B 20 14.088 -7.246 1.872 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.659 -5.584 1.401 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.225 -6.740 0.171 1.00 2.33 H new ATOM 1270 N SER B 21 14.243 -3.581 -0.207 1.00 2.83 N ATOM 1271 CA SER B 21 13.212 -3.238 -1.175 1.00 2.87 C ATOM 1272 C SER B 21 13.858 -2.625 -2.401 1.00 3.09 C ATOM 1273 O SER B 21 13.410 -2.859 -3.518 1.00 3.10 O ATOM 1274 CB SER B 21 12.153 -2.307 -0.585 1.00 3.04 C ATOM 1275 OG SER B 21 11.163 -1.975 -1.543 1.00 3.23 O ATOM 0 H SER B 21 14.200 -3.063 0.671 1.00 2.83 H new ATOM 0 HA SER B 21 12.692 -4.153 -1.460 1.00 2.87 H new ATOM 0 HB2 SER B 21 11.684 -2.786 0.274 1.00 3.04 H new ATOM 0 HB3 SER B 21 12.629 -1.396 -0.221 1.00 3.04 H new ATOM 0 HG SER B 21 10.500 -1.380 -1.135 1.00 3.23 H new ATOM 1281 N ARG B 22 14.928 -1.858 -2.192 1.00 3.32 N ATOM 1282 CA ARG B 22 15.662 -1.287 -3.311 1.00 3.59 C ATOM 1283 C ARG B 22 16.237 -2.455 -4.079 1.00 3.45 C ATOM 1284 O ARG B 22 16.227 -2.488 -5.301 1.00 3.63 O ATOM 1285 CB ARG B 22 16.792 -0.361 -2.841 1.00 3.86 C ATOM 1286 CG ARG B 22 16.361 1.060 -2.518 1.00 4.07 C ATOM 1287 CD ARG B 22 17.549 1.910 -2.081 1.00 4.20 C ATOM 1288 NE ARG B 22 18.466 2.207 -3.186 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.783 1.985 -3.148 1.00 4.85 C ATOM 1290 NH1 ARG B 22 20.343 1.438 -2.074 1.00 4.70 N ATOM 1291 NH2 ARG B 22 20.542 2.306 -4.189 1.00 5.40 N ATOM 0 H ARG B 22 15.298 -1.623 -1.271 1.00 3.32 H new ATOM 0 HA ARG B 22 14.999 -0.678 -3.926 1.00 3.59 H new ATOM 0 HB2 ARG B 22 17.253 -0.796 -1.954 1.00 3.86 H new ATOM 0 HB3 ARG B 22 17.559 -0.326 -3.615 1.00 3.86 H new ATOM 0 HG2 ARG B 22 15.892 1.509 -3.394 1.00 4.07 H new ATOM 0 HG3 ARG B 22 15.611 1.045 -1.727 1.00 4.07 H new ATOM 0 HD2 ARG B 22 17.185 2.845 -1.654 1.00 4.20 H new ATOM 0 HD3 ARG B 22 18.093 1.390 -1.292 1.00 4.20 H new ATOM 0 HE ARG B 22 18.074 2.609 -4.038 1.00 4.64 H new ATOM 0 HH11 ARG B 22 19.767 1.185 -1.271 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.349 1.272 -2.052 1.00 4.70 H new ATOM 0 HH21 ARG B 22 20.120 2.723 -5.019 1.00 5.40 H new ATOM 0 HH22 ARG B 22 21.547 2.136 -4.159 1.00 5.40 H new ATOM 1305 N VAL B 23 16.683 -3.443 -3.314 1.00 3.17 N ATOM 1306 CA VAL B 23 17.244 -4.664 -3.846 1.00 3.05 C ATOM 1307 C VAL B 23 16.198 -5.339 -4.737 1.00 3.00 C ATOM 1308 O VAL B 23 16.453 -5.658 -5.899 1.00 3.18 O ATOM 1309 CB VAL B 23 17.626 -5.602 -2.675 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.122 -6.942 -3.151 1.00 2.66 C ATOM 1311 CG2 VAL B 23 18.652 -4.951 -1.760 1.00 2.87 C ATOM 0 H VAL B 23 16.662 -3.412 -2.295 1.00 3.17 H new ATOM 0 HA VAL B 23 18.136 -4.446 -4.433 1.00 3.05 H new ATOM 0 HB VAL B 23 16.712 -5.776 -2.107 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.377 -7.562 -2.291 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.342 -7.432 -3.734 1.00 2.66 H new ATOM 0 HG13 VAL B 23 19.007 -6.803 -3.773 1.00 2.66 H new ATOM 0 HG21 VAL B 23 18.900 -5.634 -0.948 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.553 -4.721 -2.329 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.239 -4.031 -1.347 1.00 2.87 H new ATOM 1321 N VAL B 24 15.009 -5.510 -4.167 1.00 2.81 N ATOM 1322 CA VAL B 24 13.866 -6.096 -4.858 1.00 2.77 C ATOM 1323 C VAL B 24 13.349 -5.174 -5.979 1.00 3.04 C ATOM 1324 O VAL B 24 12.603 -5.606 -6.863 1.00 3.12 O ATOM 1325 CB VAL B 24 12.720 -6.422 -3.846 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.425 -6.774 -4.558 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.120 -7.564 -2.911 1.00 2.32 C ATOM 0 H VAL B 24 14.810 -5.243 -3.203 1.00 2.81 H new ATOM 0 HA VAL B 24 14.200 -7.025 -5.320 1.00 2.77 H new ATOM 0 HB VAL B 24 12.554 -5.521 -3.256 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.653 -6.994 -3.821 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.109 -5.933 -5.175 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.583 -7.648 -5.190 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.304 -7.769 -2.218 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.331 -8.458 -3.498 1.00 2.32 H new ATOM 0 HG23 VAL B 24 14.010 -7.280 -2.350 1.00 2.32 H new ATOM 1480 N ARG B 35 22.543 -7.894 -0.622 1.00 2.50 N ATOM 1481 CA ARG B 35 21.586 -8.558 -1.492 1.00 2.44 C ATOM 1482 C ARG B 35 21.412 -10.002 -1.046 1.00 2.25 C ATOM 1483 O ARG B 35 20.309 -10.526 -1.019 1.00 2.20 O ATOM 1484 CB ARG B 35 22.048 -8.521 -2.947 1.00 2.67 C ATOM 1485 CG ARG B 35 21.845 -7.178 -3.624 1.00 2.98 C ATOM 1486 CD ARG B 35 23.074 -6.757 -4.414 1.00 3.19 C ATOM 1487 NE ARG B 35 23.554 -7.806 -5.314 1.00 3.34 N ATOM 1488 CZ ARG B 35 24.673 -7.717 -6.037 1.00 3.60 C ATOM 1489 NH1 ARG B 35 25.483 -6.672 -5.892 1.00 3.81 N ATOM 1490 NH2 ARG B 35 24.988 -8.682 -6.892 1.00 3.91 N ATOM 0 HA ARG B 35 20.634 -8.031 -1.423 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.106 -8.781 -2.989 1.00 2.67 H new ATOM 0 HB3 ARG B 35 21.509 -9.285 -3.508 1.00 2.67 H new ATOM 0 HG2 ARG B 35 20.984 -7.233 -4.291 1.00 2.98 H new ATOM 0 HG3 ARG B 35 21.618 -6.422 -2.872 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.839 -5.865 -4.995 1.00 3.19 H new ATOM 0 HD3 ARG B 35 23.871 -6.486 -3.721 1.00 3.19 H new ATOM 0 HE ARG B 35 22.999 -8.658 -5.394 1.00 3.34 H new ATOM 0 HH11 ARG B 35 25.250 -5.935 -5.227 1.00 3.81 H new ATOM 0 HH12 ARG B 35 26.337 -6.608 -6.446 1.00 3.81 H new ATOM 0 HH21 ARG B 35 24.375 -9.491 -6.996 1.00 3.91 H new ATOM 0 HH22 ARG B 35 25.843 -8.615 -7.445 1.00 3.91 H new ATOM 1504 N GLU B 36 22.521 -10.613 -0.666 1.00 2.21 N ATOM 1505 CA GLU B 36 22.538 -11.998 -0.216 1.00 2.13 C ATOM 1506 C GLU B 36 21.802 -12.136 1.114 1.00 2.03 C ATOM 1507 O GLU B 36 21.175 -13.157 1.386 1.00 2.06 O ATOM 1508 CB GLU B 36 23.983 -12.491 -0.078 1.00 2.14 C ATOM 1509 CG GLU B 36 24.856 -12.156 -1.280 1.00 2.40 C ATOM 1510 CD GLU B 36 26.270 -12.694 -1.154 1.00 2.61 C ATOM 1511 OE1 GLU B 36 26.446 -13.934 -1.162 1.00 2.82 O ATOM 1512 OE2 GLU B 36 27.215 -11.884 -1.045 1.00 2.94 O ATOM 0 H GLU B 36 23.437 -10.164 -0.660 1.00 2.21 H new ATOM 0 HA GLU B 36 22.027 -12.611 -0.958 1.00 2.13 H new ATOM 0 HB2 GLU B 36 24.425 -12.051 0.816 1.00 2.14 H new ATOM 0 HB3 GLU B 36 23.978 -13.571 0.068 1.00 2.14 H new ATOM 0 HG2 GLU B 36 24.397 -12.564 -2.181 1.00 2.40 H new ATOM 0 HG3 GLU B 36 24.895 -11.074 -1.404 1.00 2.40 H new ATOM 1519 N LYS B 37 21.877 -11.094 1.934 1.00 2.03 N ATOM 1520 CA LYS B 37 21.231 -11.095 3.238 1.00 2.06 C ATOM 1521 C LYS B 37 19.721 -10.959 3.075 1.00 2.07 C ATOM 1522 O LYS B 37 18.952 -11.661 3.729 1.00 2.14 O ATOM 1523 CB LYS B 37 21.823 -9.986 4.135 1.00 2.19 C ATOM 1524 CG LYS B 37 21.037 -8.678 4.171 1.00 2.53 C ATOM 1525 CD LYS B 37 21.921 -7.491 4.537 1.00 2.52 C ATOM 1526 CE LYS B 37 22.874 -7.831 5.667 1.00 2.77 C ATOM 1527 NZ LYS B 37 23.421 -6.624 6.343 1.00 3.10 N ATOM 0 H LYS B 37 22.382 -10.235 1.716 1.00 2.03 H new ATOM 0 HA LYS B 37 21.423 -12.046 3.735 1.00 2.06 H new ATOM 0 HB2 LYS B 37 21.902 -10.370 5.152 1.00 2.19 H new ATOM 0 HB3 LYS B 37 22.836 -9.771 3.796 1.00 2.19 H new ATOM 0 HG2 LYS B 37 20.580 -8.503 3.197 1.00 2.53 H new ATOM 0 HG3 LYS B 37 20.226 -8.762 4.894 1.00 2.53 H new ATOM 0 HD2 LYS B 37 22.491 -7.178 3.662 1.00 2.52 H new ATOM 0 HD3 LYS B 37 21.296 -6.647 4.829 1.00 2.52 H new ATOM 0 HE2 LYS B 37 22.355 -8.449 6.400 1.00 2.77 H new ATOM 0 HE3 LYS B 37 23.698 -8.427 5.274 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 24.065 -6.915 7.106 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 23.941 -6.045 5.653 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 22.640 -6.067 6.744 1.00 3.10 H new ATOM 1541 N VAL B 38 19.302 -10.064 2.188 1.00 2.07 N ATOM 1542 CA VAL B 38 17.883 -9.870 1.919 1.00 2.08 C ATOM 1543 C VAL B 38 17.340 -11.095 1.187 1.00 2.04 C ATOM 1544 O VAL B 38 16.248 -11.577 1.485 1.00 2.07 O ATOM 1545 CB VAL B 38 17.636 -8.581 1.123 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.479 -7.448 1.699 1.00 2.33 C ATOM 1547 CG2 VAL B 38 17.911 -8.766 -0.349 1.00 2.21 C ATOM 0 H VAL B 38 19.922 -9.463 1.645 1.00 2.07 H new ATOM 0 HA VAL B 38 17.352 -9.759 2.864 1.00 2.08 H new ATOM 0 HB VAL B 38 16.581 -8.323 1.216 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.300 -6.536 1.130 1.00 2.33 H new ATOM 0 HG12 VAL B 38 18.206 -7.285 2.742 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.535 -7.712 1.637 1.00 2.33 H new ATOM 0 HG21 VAL B 38 17.724 -7.830 -0.875 1.00 2.21 H new ATOM 0 HG22 VAL B 38 18.951 -9.060 -0.491 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.257 -9.542 -0.747 1.00 2.21 H new ATOM 1557 N GLU B 39 18.130 -11.589 0.232 1.00 2.06 N ATOM 1558 CA GLU B 39 17.793 -12.787 -0.529 1.00 2.17 C ATOM 1559 C GLU B 39 17.622 -13.951 0.429 1.00 2.25 C ATOM 1560 O GLU B 39 16.696 -14.746 0.295 1.00 2.39 O ATOM 1561 CB GLU B 39 18.882 -13.117 -1.561 1.00 2.31 C ATOM 1562 CG GLU B 39 18.513 -12.742 -2.991 1.00 2.51 C ATOM 1563 CD GLU B 39 19.508 -13.267 -4.016 1.00 2.75 C ATOM 1564 OE1 GLU B 39 19.660 -14.505 -4.128 1.00 2.96 O ATOM 1565 OE2 GLU B 39 20.138 -12.448 -4.718 1.00 3.00 O ATOM 0 H GLU B 39 19.020 -11.168 -0.033 1.00 2.06 H new ATOM 0 HA GLU B 39 16.864 -12.606 -1.070 1.00 2.17 H new ATOM 0 HB2 GLU B 39 19.799 -12.597 -1.285 1.00 2.31 H new ATOM 0 HB3 GLU B 39 19.096 -14.185 -1.520 1.00 2.31 H new ATOM 0 HG2 GLU B 39 17.522 -13.134 -3.220 1.00 2.51 H new ATOM 0 HG3 GLU B 39 18.453 -11.657 -3.073 1.00 2.51 H new ATOM 1572 N ALA B 40 18.525 -14.047 1.405 1.00 2.22 N ATOM 1573 CA ALA B 40 18.432 -15.098 2.405 1.00 2.38 C ATOM 1574 C ALA B 40 17.154 -14.920 3.189 1.00 2.45 C ATOM 1575 O ALA B 40 16.349 -15.837 3.297 1.00 2.65 O ATOM 1576 CB ALA B 40 19.613 -15.075 3.360 1.00 2.37 C ATOM 0 H ALA B 40 19.318 -13.416 1.520 1.00 2.22 H new ATOM 0 HA ALA B 40 18.438 -16.058 1.889 1.00 2.38 H new ATOM 0 HB1 ALA B 40 19.505 -15.876 4.091 1.00 2.37 H new ATOM 0 HB2 ALA B 40 20.537 -15.217 2.800 1.00 2.37 H new ATOM 0 HB3 ALA B 40 19.646 -14.115 3.875 1.00 2.37 H new ATOM 1582 N ALA B 41 16.968 -13.713 3.714 1.00 2.34 N ATOM 1583 CA ALA B 41 15.793 -13.396 4.497 1.00 2.45 C ATOM 1584 C ALA B 41 14.490 -13.751 3.793 1.00 2.47 C ATOM 1585 O ALA B 41 13.646 -14.446 4.358 1.00 2.68 O ATOM 1586 CB ALA B 41 15.808 -11.929 4.831 1.00 2.39 C ATOM 0 H ALA B 41 17.624 -12.939 3.607 1.00 2.34 H new ATOM 0 HA ALA B 41 15.832 -14.002 5.402 1.00 2.45 H new ATOM 0 HB1 ALA B 41 14.926 -11.681 5.421 1.00 2.39 H new ATOM 0 HB2 ALA B 41 16.705 -11.695 5.404 1.00 2.39 H new ATOM 0 HB3 ALA B 41 15.804 -11.346 3.910 1.00 2.39 H new ATOM 1592 N MET B 42 14.334 -13.297 2.561 1.00 2.31 N ATOM 1593 CA MET B 42 13.122 -13.573 1.804 1.00 2.35 C ATOM 1594 C MET B 42 12.992 -15.065 1.531 1.00 2.59 C ATOM 1595 O MET B 42 11.895 -15.596 1.496 1.00 2.74 O ATOM 1596 CB MET B 42 13.064 -12.777 0.497 1.00 2.21 C ATOM 1597 CG MET B 42 14.241 -12.998 -0.421 1.00 2.23 C ATOM 1598 SD MET B 42 14.272 -11.819 -1.776 1.00 2.21 S ATOM 1599 CE MET B 42 14.298 -10.303 -0.831 1.00 2.06 C ATOM 0 H MET B 42 15.027 -12.738 2.064 1.00 2.31 H new ATOM 0 HA MET B 42 12.278 -13.251 2.414 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.150 -13.041 -0.035 1.00 2.21 H new ATOM 0 HB3 MET B 42 12.999 -11.715 0.735 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.166 -12.917 0.150 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.202 -14.010 -0.823 1.00 2.23 H new ATOM 0 HE1 MET B 42 14.752 -9.511 -1.427 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.279 -10.021 -0.568 1.00 2.06 H new ATOM 0 HE3 MET B 42 14.880 -10.451 0.079 1.00 2.06 H new ATOM 1609 N ALA B 43 14.126 -15.740 1.372 1.00 2.65 N ATOM 1610 CA ALA B 43 14.127 -17.164 1.059 1.00 2.94 C ATOM 1611 C ALA B 43 13.666 -17.992 2.248 1.00 3.17 C ATOM 1612 O ALA B 43 12.885 -18.931 2.098 1.00 3.43 O ATOM 1613 CB ALA B 43 15.506 -17.615 0.603 1.00 2.97 C ATOM 0 H ALA B 43 15.054 -15.325 1.455 1.00 2.65 H new ATOM 0 HA ALA B 43 13.421 -17.323 0.243 1.00 2.94 H new ATOM 0 HB1 ALA B 43 15.483 -18.681 0.375 1.00 2.97 H new ATOM 0 HB2 ALA B 43 15.794 -17.059 -0.289 1.00 2.97 H new ATOM 0 HB3 ALA B 43 16.230 -17.429 1.396 1.00 2.97 H new ATOM 1619 N GLU B 44 14.147 -17.632 3.429 1.00 3.13 N ATOM 1620 CA GLU B 44 13.798 -18.347 4.648 1.00 3.41 C ATOM 1621 C GLU B 44 12.346 -18.116 5.004 1.00 3.51 C ATOM 1622 O GLU B 44 11.621 -19.042 5.378 1.00 3.81 O ATOM 1623 CB GLU B 44 14.671 -17.869 5.792 1.00 3.38 C ATOM 1624 CG GLU B 44 16.142 -17.822 5.453 1.00 3.23 C ATOM 1625 CD GLU B 44 16.818 -19.180 5.545 1.00 3.42 C ATOM 1626 OE1 GLU B 44 16.278 -20.165 5.000 1.00 3.67 O ATOM 1627 OE2 GLU B 44 17.895 -19.260 6.175 1.00 3.57 O ATOM 0 H GLU B 44 14.782 -16.846 3.569 1.00 3.13 H new ATOM 0 HA GLU B 44 13.958 -19.412 4.479 1.00 3.41 H new ATOM 0 HB2 GLU B 44 14.345 -16.874 6.095 1.00 3.38 H new ATOM 0 HB3 GLU B 44 14.525 -18.527 6.649 1.00 3.38 H new ATOM 0 HG2 GLU B 44 16.264 -17.430 4.443 1.00 3.23 H new ATOM 0 HG3 GLU B 44 16.642 -17.127 6.128 1.00 3.23 H new ATOM 1634 N LEU B 45 11.930 -16.867 4.892 1.00 3.28 N ATOM 1635 CA LEU B 45 10.557 -16.497 5.200 1.00 3.36 C ATOM 1636 C LEU B 45 9.636 -16.815 4.029 1.00 3.35 C ATOM 1637 O LEU B 45 8.437 -16.537 4.089 1.00 3.40 O ATOM 1638 CB LEU B 45 10.460 -15.007 5.531 1.00 3.17 C ATOM 1639 CG LEU B 45 11.555 -14.453 6.445 1.00 3.15 C ATOM 1640 CD1 LEU B 45 11.173 -13.067 6.935 1.00 3.11 C ATOM 1641 CD2 LEU B 45 11.824 -15.393 7.611 1.00 3.47 C ATOM 0 H LEU B 45 12.521 -16.092 4.591 1.00 3.28 H new ATOM 0 HA LEU B 45 10.244 -17.078 6.068 1.00 3.36 H new ATOM 0 HB2 LEU B 45 10.475 -14.445 4.597 1.00 3.17 H new ATOM 0 HB3 LEU B 45 9.494 -14.821 6.000 1.00 3.17 H new ATOM 0 HG LEU B 45 12.478 -14.374 5.871 1.00 3.15 H new ATOM 0 HD11 LEU B 45 11.959 -12.681 7.585 1.00 3.11 H new ATOM 0 HD12 LEU B 45 11.049 -12.401 6.081 1.00 3.11 H new ATOM 0 HD13 LEU B 45 10.237 -13.123 7.491 1.00 3.11 H new ATOM 0 HD21 LEU B 45 12.606 -14.974 8.243 1.00 3.47 H new ATOM 0 HD22 LEU B 45 10.913 -15.518 8.196 1.00 3.47 H new ATOM 0 HD23 LEU B 45 12.146 -16.362 7.230 1.00 3.47 H new