USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1005 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: B 59 ASN : amide:sc= 0.276 K(o=0.57,f=-0.95) USER MOD Set 1.2: B 62 LYS NZ :NH3+ -112:sc= 0.294 (180deg=0) USER MOD Set 2.1: A 67 SER OG : rot -78:sc= 1.02 USER MOD Set 2.2: B 42 THR OG1 : rot 71:sc= 0.823 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -169:sc= -0.0199 (180deg=-0.161) USER MOD Set 3.2: A 66 GLN : amide:sc= 0.00442 K(o=-0.015,f=-0.93) USER MOD Set 4.1: A 42 THR OG1 : rot 86:sc= 0.77 USER MOD Set 4.2: B 67 SER OG : rot -91:sc= 1.19 USER MOD Single : A 8 SER OG : rot -24:sc= 0.202 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.452 K(o=0.45,f=-0.078) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 35 MET CE :methyl 142:sc= -0.0594 (180deg=-1.71) USER MOD Single : A 36 CYS SG : rot 80:sc= 0.13 USER MOD Single : A 39 ASN : amide:sc= -0.757 K(o=-0.76,f=-1.3!) USER MOD Single : A 43 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= -0.856 X(o=-0.86,f=-0.89) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -145:sc= -1.5 (180deg=-3.43!) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 61 THR OG1 : rot -81:sc= 0.297 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= 1.32 (180deg=1.17) USER MOD Single : B 8 SER OG : rot -77:sc= 1.29 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= 1.27 (180deg=0.996) USER MOD Single : B 17 GLN : amide:sc= 0.271 X(o=0.27,f=-0.067) USER MOD Single : B 25 LYS NZ :NH3+ 151:sc= 0.928 (180deg=0.583) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.241 USER MOD Single : B 35 MET CE :methyl 166:sc= -0.0832 (180deg=-0.474) USER MOD Single : B 36 CYS SG : rot 80:sc= 0.125 USER MOD Single : B 39 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.2!) USER MOD Single : B 43 ASN : amide:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : B 47 GLN : amide:sc= 0.0599 X(o=0.06,f=-0.38) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00383) USER MOD Single : B 61 THR OG1 : rot -2:sc= 0.938 USER MOD Single : B 65 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.11) USER MOD Single : B 66 GLN : amide:sc= -0.705 X(o=-0.7,f=-1) USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -16.371 -10.449 0.422 1.00 0.00 N ATOM 124 CA SER A 8 -17.140 -9.622 -0.488 1.00 0.00 C ATOM 125 C SER A 8 -16.594 -8.196 -0.486 1.00 0.00 C ATOM 126 O SER A 8 -15.664 -7.888 0.267 1.00 0.00 O ATOM 127 CB SER A 8 -18.610 -9.639 -0.069 1.00 0.00 C ATOM 128 OG SER A 8 -18.744 -9.342 1.312 1.00 0.00 O ATOM 0 HA SER A 8 -17.057 -10.017 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.169 -8.912 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.041 -10.618 -0.279 1.00 0.00 H new ATOM 0 HG SER A 8 -17.909 -9.561 1.776 1.00 0.00 H new ATOM 134 N ASN A 9 -17.178 -7.331 -1.309 1.00 0.00 N ATOM 135 CA ASN A 9 -16.717 -5.947 -1.418 1.00 0.00 C ATOM 136 C ASN A 9 -16.891 -5.214 -0.095 1.00 0.00 C ATOM 137 O ASN A 9 -16.113 -4.319 0.231 1.00 0.00 O ATOM 138 CB ASN A 9 -17.473 -5.202 -2.521 1.00 0.00 C ATOM 139 CG ASN A 9 -17.282 -5.812 -3.896 1.00 0.00 C ATOM 140 OD1 ASN A 9 -16.255 -6.425 -4.187 1.00 0.00 O ATOM 141 ND2 ASN A 9 -18.273 -5.634 -4.752 1.00 0.00 N ATOM 0 H ASN A 9 -17.970 -7.561 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.658 -5.972 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.536 -5.192 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.141 -4.164 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.205 -6.012 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.106 -5.119 -4.468 1.00 0.00 H new ATOM 148 N GLU A 10 -17.905 -5.612 0.669 1.00 0.00 N ATOM 149 CA GLU A 10 -18.173 -5.006 1.969 1.00 0.00 C ATOM 150 C GLU A 10 -16.991 -5.210 2.905 1.00 0.00 C ATOM 151 O GLU A 10 -16.578 -4.293 3.614 1.00 0.00 O ATOM 152 CB GLU A 10 -19.426 -5.619 2.594 1.00 0.00 C ATOM 153 CG GLU A 10 -20.664 -5.494 1.728 1.00 0.00 C ATOM 154 CD GLU A 10 -21.878 -6.124 2.367 1.00 0.00 C ATOM 155 OE1 GLU A 10 -22.017 -7.359 2.296 1.00 0.00 O ATOM 156 OE2 GLU A 10 -22.704 -5.385 2.942 1.00 0.00 O ATOM 0 H GLU A 10 -18.556 -6.353 0.409 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.331 -3.938 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.241 -6.674 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.615 -5.138 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.864 -4.440 1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.478 -5.966 0.763 1.00 0.00 H new ATOM 163 N ARG A 11 -16.443 -6.421 2.889 1.00 0.00 N ATOM 164 CA ARG A 11 -15.320 -6.756 3.750 1.00 0.00 C ATOM 165 C ARG A 11 -14.065 -6.024 3.286 1.00 0.00 C ATOM 166 O ARG A 11 -13.234 -5.624 4.099 1.00 0.00 O ATOM 167 CB ARG A 11 -15.086 -8.267 3.770 1.00 0.00 C ATOM 168 CG ARG A 11 -14.021 -8.698 4.763 1.00 0.00 C ATOM 169 CD ARG A 11 -13.891 -10.210 4.821 1.00 0.00 C ATOM 170 NE ARG A 11 -12.841 -10.625 5.747 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.516 -11.891 5.999 1.00 0.00 C ATOM 172 NH1 ARG A 11 -13.193 -12.889 5.442 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.518 -12.154 6.828 1.00 0.00 N ATOM 0 H ARG A 11 -16.759 -7.183 2.290 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.554 -6.437 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.023 -8.769 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.796 -8.596 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.063 -8.260 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.269 -8.315 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.841 -10.646 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.672 -10.595 3.825 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.321 -9.895 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.971 -12.689 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.935 -13.855 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.005 -11.390 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.262 -13.121 7.027 1.00 0.00 H new ATOM 187 N VAL A 12 -13.947 -5.837 1.977 1.00 0.00 N ATOM 188 CA VAL A 12 -12.841 -5.073 1.410 1.00 0.00 C ATOM 189 C VAL A 12 -12.884 -3.638 1.923 1.00 0.00 C ATOM 190 O VAL A 12 -11.886 -3.115 2.418 1.00 0.00 O ATOM 191 CB VAL A 12 -12.889 -5.066 -0.133 1.00 0.00 C ATOM 192 CG1 VAL A 12 -11.709 -4.299 -0.711 1.00 0.00 C ATOM 193 CG2 VAL A 12 -12.921 -6.486 -0.673 1.00 0.00 C ATOM 0 H VAL A 12 -14.603 -6.204 1.288 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.913 -5.552 1.722 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.804 -4.560 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.766 -4.309 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.735 -3.269 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.778 -4.769 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.955 -6.460 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.026 -7.018 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.805 -6.999 -0.295 1.00 0.00 H new ATOM 203 N GLU A 13 -14.059 -3.020 1.815 1.00 0.00 N ATOM 204 CA GLU A 13 -14.284 -1.676 2.338 1.00 0.00 C ATOM 205 C GLU A 13 -13.933 -1.605 3.822 1.00 0.00 C ATOM 206 O GLU A 13 -13.358 -0.621 4.286 1.00 0.00 O ATOM 207 CB GLU A 13 -15.745 -1.274 2.134 1.00 0.00 C ATOM 208 CG GLU A 13 -16.115 -1.022 0.681 1.00 0.00 C ATOM 209 CD GLU A 13 -15.695 0.352 0.205 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.481 0.602 0.076 1.00 0.00 O ATOM 211 OE2 GLU A 13 -16.589 1.192 -0.041 1.00 0.00 O ATOM 0 H GLU A 13 -14.876 -3.434 1.366 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.638 -0.985 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.387 -2.060 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.948 -0.373 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.645 -1.779 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.193 -1.131 0.560 1.00 0.00 H new ATOM 218 N LYS A 14 -14.286 -2.659 4.552 1.00 0.00 N ATOM 219 CA LYS A 14 -13.988 -2.760 5.978 1.00 0.00 C ATOM 220 C LYS A 14 -12.487 -2.685 6.238 1.00 0.00 C ATOM 221 O LYS A 14 -12.033 -1.923 7.092 1.00 0.00 O ATOM 222 CB LYS A 14 -14.541 -4.073 6.540 1.00 0.00 C ATOM 223 CG LYS A 14 -14.125 -4.346 7.978 1.00 0.00 C ATOM 224 CD LYS A 14 -14.543 -5.736 8.427 1.00 0.00 C ATOM 225 CE LYS A 14 -13.986 -6.066 9.802 1.00 0.00 C ATOM 226 NZ LYS A 14 -14.399 -7.416 10.261 1.00 0.00 N ATOM 0 H LYS A 14 -14.785 -3.464 4.174 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.466 -1.918 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.629 -4.052 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.205 -4.897 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.044 -4.243 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.573 -3.601 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.631 -5.801 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.194 -6.474 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.898 -6.010 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.326 -5.319 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.998 -7.600 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.437 -7.463 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.052 -8.132 9.591 1.00 0.00 H new ATOM 240 N ILE A 15 -11.722 -3.477 5.497 1.00 0.00 N ATOM 241 CA ILE A 15 -10.276 -3.524 5.671 1.00 0.00 C ATOM 242 C ILE A 15 -9.657 -2.176 5.328 1.00 0.00 C ATOM 243 O ILE A 15 -8.798 -1.673 6.052 1.00 0.00 O ATOM 244 CB ILE A 15 -9.643 -4.627 4.797 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.326 -5.964 5.077 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.149 -4.728 5.069 1.00 0.00 C ATOM 247 CD1 ILE A 15 -9.821 -7.102 4.218 1.00 0.00 C ATOM 0 H ILE A 15 -12.079 -4.096 4.769 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.075 -3.757 6.717 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.783 -4.370 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.182 -6.222 6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.399 -5.852 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.718 -5.510 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.672 -3.775 4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.986 -4.971 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.354 -8.017 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.990 -6.867 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.754 -7.243 4.391 1.00 0.00 H new ATOM 259 N ILE A 16 -10.122 -1.583 4.236 1.00 0.00 N ATOM 260 CA ILE A 16 -9.655 -0.265 3.830 1.00 0.00 C ATOM 261 C ILE A 16 -9.974 0.764 4.912 1.00 0.00 C ATOM 262 O ILE A 16 -9.159 1.633 5.219 1.00 0.00 O ATOM 263 CB ILE A 16 -10.299 0.171 2.496 1.00 0.00 C ATOM 264 CG1 ILE A 16 -10.027 -0.877 1.414 1.00 0.00 C ATOM 265 CG2 ILE A 16 -9.768 1.533 2.066 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.793 -0.638 0.133 1.00 0.00 C ATOM 0 H ILE A 16 -10.821 -1.993 3.617 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.576 -0.323 3.689 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.376 0.255 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.960 -0.889 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.283 -1.863 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.233 1.824 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.003 2.273 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.687 1.477 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.550 -1.419 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.863 -0.655 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.519 0.333 -0.279 1.00 0.00 H new ATOM 278 N GLN A 17 -11.157 0.635 5.506 1.00 0.00 N ATOM 279 CA GLN A 17 -11.593 1.539 6.560 1.00 0.00 C ATOM 280 C GLN A 17 -10.715 1.389 7.798 1.00 0.00 C ATOM 281 O GLN A 17 -10.338 2.381 8.413 1.00 0.00 O ATOM 282 CB GLN A 17 -13.063 1.282 6.916 1.00 0.00 C ATOM 283 CG GLN A 17 -13.610 2.219 7.986 1.00 0.00 C ATOM 284 CD GLN A 17 -13.515 3.683 7.593 1.00 0.00 C ATOM 285 OE1 GLN A 17 -14.417 4.227 6.961 1.00 0.00 O ATOM 286 NE2 GLN A 17 -12.425 4.332 7.975 1.00 0.00 N ATOM 0 H GLN A 17 -11.833 -0.092 5.272 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.498 2.561 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.668 1.382 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.169 0.253 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.652 1.968 8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.062 2.061 8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.698 3.844 8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.313 5.319 7.745 1.00 0.00 H new ATOM 295 N ASP A 18 -10.382 0.152 8.149 1.00 0.00 N ATOM 296 CA ASP A 18 -9.540 -0.110 9.318 1.00 0.00 C ATOM 297 C ASP A 18 -8.125 0.418 9.081 1.00 0.00 C ATOM 298 O ASP A 18 -7.489 0.958 9.988 1.00 0.00 O ATOM 299 CB ASP A 18 -9.517 -1.612 9.632 1.00 0.00 C ATOM 300 CG ASP A 18 -8.967 -1.921 11.014 1.00 0.00 C ATOM 301 OD1 ASP A 18 -9.399 -1.271 11.994 1.00 0.00 O ATOM 302 OD2 ASP A 18 -8.139 -2.848 11.142 1.00 0.00 O ATOM 0 H ASP A 18 -10.679 -0.684 7.646 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.960 0.412 10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.529 -2.010 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.913 -2.125 8.884 1.00 0.00 H new ATOM 307 N LEU A 19 -7.650 0.277 7.846 1.00 0.00 N ATOM 308 CA LEU A 19 -6.352 0.826 7.446 1.00 0.00 C ATOM 309 C LEU A 19 -6.357 2.349 7.539 1.00 0.00 C ATOM 310 O LEU A 19 -5.477 2.950 8.161 1.00 0.00 O ATOM 311 CB LEU A 19 -6.010 0.400 6.014 1.00 0.00 C ATOM 312 CG LEU A 19 -5.738 -1.093 5.825 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.641 -1.431 4.347 1.00 0.00 C ATOM 314 CD2 LEU A 19 -4.460 -1.496 6.544 1.00 0.00 C ATOM 0 H LEU A 19 -8.144 -0.214 7.101 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.596 0.434 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.833 0.688 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.132 0.957 5.686 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.569 -1.652 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.447 -2.497 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.579 -1.176 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.827 -0.863 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.282 -2.561 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.621 -0.929 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.560 -1.286 7.609 1.00 0.00 H new ATOM 326 N LEU A 20 -7.360 2.968 6.923 1.00 0.00 N ATOM 327 CA LEU A 20 -7.496 4.421 6.945 1.00 0.00 C ATOM 328 C LEU A 20 -7.748 4.920 8.362 1.00 0.00 C ATOM 329 O LEU A 20 -7.405 6.052 8.704 1.00 0.00 O ATOM 330 CB LEU A 20 -8.635 4.871 6.025 1.00 0.00 C ATOM 331 CG LEU A 20 -8.403 4.633 4.529 1.00 0.00 C ATOM 332 CD1 LEU A 20 -9.623 5.062 3.728 1.00 0.00 C ATOM 333 CD2 LEU A 20 -7.162 5.383 4.055 1.00 0.00 C ATOM 0 H LEU A 20 -8.092 2.485 6.402 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.561 4.850 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.546 4.351 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.809 5.935 6.184 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.242 3.567 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.442 4.887 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.490 4.485 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.812 6.123 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.012 5.203 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.295 6.451 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.291 5.032 4.608 1.00 0.00 H new ATOM 345 N ASP A 21 -8.347 4.066 9.179 1.00 0.00 N ATOM 346 CA ASP A 21 -8.627 4.398 10.567 1.00 0.00 C ATOM 347 C ASP A 21 -7.327 4.638 11.314 1.00 0.00 C ATOM 348 O ASP A 21 -7.189 5.638 12.013 1.00 0.00 O ATOM 349 CB ASP A 21 -9.424 3.281 11.241 1.00 0.00 C ATOM 350 CG ASP A 21 -10.666 3.794 11.940 1.00 0.00 C ATOM 351 OD1 ASP A 21 -11.627 4.183 11.243 1.00 0.00 O ATOM 352 OD2 ASP A 21 -10.693 3.809 13.189 1.00 0.00 O ATOM 0 H ASP A 21 -8.650 3.132 8.902 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.226 5.308 10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.711 2.542 10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.788 2.771 11.965 1.00 0.00 H new ATOM 357 N VAL A 22 -6.366 3.733 11.132 1.00 0.00 N ATOM 358 CA VAL A 22 -5.042 3.879 11.733 1.00 0.00 C ATOM 359 C VAL A 22 -4.365 5.161 11.246 1.00 0.00 C ATOM 360 O VAL A 22 -3.807 5.925 12.037 1.00 0.00 O ATOM 361 CB VAL A 22 -4.128 2.672 11.404 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.746 2.851 12.017 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.754 1.372 11.883 1.00 0.00 C ATOM 0 H VAL A 22 -6.481 2.889 10.571 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.187 3.926 12.812 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.019 2.624 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.125 1.990 11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.286 3.756 11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.836 2.936 13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.094 0.539 11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.902 1.415 12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.716 1.228 11.390 1.00 0.00 H new ATOM 373 N LEU A 23 -4.440 5.398 9.942 1.00 0.00 N ATOM 374 CA LEU A 23 -3.793 6.555 9.329 1.00 0.00 C ATOM 375 C LEU A 23 -4.331 7.869 9.897 1.00 0.00 C ATOM 376 O LEU A 23 -3.562 8.794 10.165 1.00 0.00 O ATOM 377 CB LEU A 23 -3.981 6.524 7.808 1.00 0.00 C ATOM 378 CG LEU A 23 -3.363 5.312 7.106 1.00 0.00 C ATOM 379 CD1 LEU A 23 -3.663 5.348 5.616 1.00 0.00 C ATOM 380 CD2 LEU A 23 -1.862 5.261 7.348 1.00 0.00 C ATOM 0 H LEU A 23 -4.944 4.803 9.285 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.730 6.501 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.048 6.548 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.548 7.430 7.385 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.808 4.409 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.216 4.479 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.742 5.334 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.247 6.257 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.441 4.393 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.400 6.168 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.668 5.186 8.418 1.00 0.00 H new ATOM 392 N VAL A 24 -5.644 7.948 10.084 1.00 0.00 N ATOM 393 CA VAL A 24 -6.264 9.157 10.622 1.00 0.00 C ATOM 394 C VAL A 24 -6.131 9.211 12.143 1.00 0.00 C ATOM 395 O VAL A 24 -6.013 10.290 12.729 1.00 0.00 O ATOM 396 CB VAL A 24 -7.752 9.262 10.229 1.00 0.00 C ATOM 397 CG1 VAL A 24 -8.367 10.528 10.802 1.00 0.00 C ATOM 398 CG2 VAL A 24 -7.910 9.228 8.716 1.00 0.00 C ATOM 0 H VAL A 24 -6.298 7.194 9.873 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.734 10.004 10.186 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.279 8.404 10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.417 10.585 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.289 10.511 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.837 11.398 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.967 9.303 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.369 10.065 8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.508 8.292 8.329 1.00 0.00 H new ATOM 408 N LYS A 25 -6.143 8.038 12.769 1.00 0.00 N ATOM 409 CA LYS A 25 -5.937 7.913 14.212 1.00 0.00 C ATOM 410 C LYS A 25 -4.637 8.591 14.616 1.00 0.00 C ATOM 411 O LYS A 25 -4.591 9.379 15.562 1.00 0.00 O ATOM 412 CB LYS A 25 -5.886 6.431 14.599 1.00 0.00 C ATOM 413 CG LYS A 25 -5.500 6.173 16.041 1.00 0.00 C ATOM 414 CD LYS A 25 -5.188 4.705 16.260 1.00 0.00 C ATOM 415 CE LYS A 25 -4.681 4.446 17.666 1.00 0.00 C ATOM 416 NZ LYS A 25 -5.749 4.611 18.687 1.00 0.00 N ATOM 0 H LYS A 25 -6.295 7.148 12.294 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.765 8.396 14.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.863 5.986 14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.174 5.923 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.632 6.777 16.304 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.312 6.479 16.700 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.084 4.111 16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.440 4.380 15.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.278 3.435 17.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.861 5.130 17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.357 4.424 19.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.117 5.583 18.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.521 3.941 18.494 1.00 0.00 H new ATOM 430 N GLU A 26 -3.590 8.293 13.863 1.00 0.00 N ATOM 431 CA GLU A 26 -2.269 8.837 14.126 1.00 0.00 C ATOM 432 C GLU A 26 -2.097 10.167 13.406 1.00 0.00 C ATOM 433 O GLU A 26 -1.089 10.853 13.591 1.00 0.00 O ATOM 434 CB GLU A 26 -1.196 7.853 13.655 1.00 0.00 C ATOM 435 CG GLU A 26 -1.308 6.475 14.286 1.00 0.00 C ATOM 436 CD GLU A 26 -1.084 6.495 15.784 1.00 0.00 C ATOM 437 OE1 GLU A 26 0.004 6.928 16.215 1.00 0.00 O ATOM 438 OE2 GLU A 26 -1.989 6.083 16.537 1.00 0.00 O ATOM 0 H GLU A 26 -3.632 7.670 13.056 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.163 8.997 15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.259 7.752 12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.213 8.267 13.880 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.295 6.064 14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.580 5.808 13.823 1.00 0.00 H new ATOM 445 N GLU A 27 -3.112 10.516 12.601 1.00 0.00 N ATOM 446 CA GLU A 27 -3.094 11.694 11.727 1.00 0.00 C ATOM 447 C GLU A 27 -1.713 11.917 11.123 1.00 0.00 C ATOM 448 O GLU A 27 -1.085 12.963 11.309 1.00 0.00 O ATOM 449 CB GLU A 27 -3.623 12.947 12.445 1.00 0.00 C ATOM 450 CG GLU A 27 -3.140 13.123 13.872 1.00 0.00 C ATOM 451 CD GLU A 27 -3.823 14.278 14.564 1.00 0.00 C ATOM 452 OE1 GLU A 27 -4.981 14.109 15.007 1.00 0.00 O ATOM 453 OE2 GLU A 27 -3.218 15.367 14.654 1.00 0.00 O ATOM 0 H GLU A 27 -3.978 9.980 12.540 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.777 11.498 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.334 13.826 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.712 12.912 12.448 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.323 12.206 14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.062 13.287 13.872 1.00 0.00 H new ATOM 460 N VAL A 28 -1.250 10.901 10.409 1.00 0.00 N ATOM 461 CA VAL A 28 0.071 10.917 9.802 1.00 0.00 C ATOM 462 C VAL A 28 0.126 11.845 8.592 1.00 0.00 C ATOM 463 O VAL A 28 -0.906 12.223 8.034 1.00 0.00 O ATOM 464 CB VAL A 28 0.503 9.496 9.379 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.550 8.573 10.585 1.00 0.00 C ATOM 466 CG2 VAL A 28 -0.431 8.937 8.314 1.00 0.00 C ATOM 0 H VAL A 28 -1.778 10.046 10.235 1.00 0.00 H new ATOM 0 HA VAL A 28 0.761 11.293 10.558 1.00 0.00 H new ATOM 0 HB VAL A 28 1.504 9.559 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.856 7.576 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.266 8.959 11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.438 8.521 11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.105 7.935 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.446 8.891 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.411 9.584 7.437 1.00 0.00 H new ATOM 476 N THR A 29 1.336 12.211 8.198 1.00 0.00 N ATOM 477 CA THR A 29 1.545 13.060 7.041 1.00 0.00 C ATOM 478 C THR A 29 1.621 12.214 5.769 1.00 0.00 C ATOM 479 O THR A 29 1.868 11.009 5.847 1.00 0.00 O ATOM 480 CB THR A 29 2.842 13.876 7.201 1.00 0.00 C ATOM 481 OG1 THR A 29 3.912 13.012 7.611 1.00 0.00 O ATOM 482 CG2 THR A 29 2.661 14.991 8.222 1.00 0.00 C ATOM 0 H THR A 29 2.195 11.928 8.670 1.00 0.00 H new ATOM 0 HA THR A 29 0.702 13.747 6.962 1.00 0.00 H new ATOM 0 HB THR A 29 3.085 14.327 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.735 13.535 7.710 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.591 15.552 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.865 15.660 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.397 14.560 9.188 1.00 0.00 H new ATOM 490 N PRO A 30 1.396 12.826 4.589 1.00 0.00 N ATOM 491 CA PRO A 30 1.461 12.122 3.300 1.00 0.00 C ATOM 492 C PRO A 30 2.739 11.296 3.147 1.00 0.00 C ATOM 493 O PRO A 30 2.688 10.120 2.784 1.00 0.00 O ATOM 494 CB PRO A 30 1.440 13.256 2.279 1.00 0.00 C ATOM 495 CG PRO A 30 0.713 14.366 2.959 1.00 0.00 C ATOM 496 CD PRO A 30 1.043 14.249 4.421 1.00 0.00 C ATOM 0 HA PRO A 30 0.646 11.407 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.450 13.557 2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.933 12.954 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.024 15.334 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.362 14.286 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.871 14.902 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.195 14.527 5.046 1.00 0.00 H new ATOM 504 N ASP A 31 3.879 11.921 3.444 1.00 0.00 N ATOM 505 CA ASP A 31 5.179 11.250 3.376 1.00 0.00 C ATOM 506 C ASP A 31 5.188 10.009 4.255 1.00 0.00 C ATOM 507 O ASP A 31 5.546 8.916 3.812 1.00 0.00 O ATOM 508 CB ASP A 31 6.301 12.190 3.837 1.00 0.00 C ATOM 509 CG ASP A 31 6.477 13.396 2.942 1.00 0.00 C ATOM 510 OD1 ASP A 31 7.270 13.315 1.981 1.00 0.00 O ATOM 511 OD2 ASP A 31 5.843 14.439 3.209 1.00 0.00 O ATOM 0 H ASP A 31 3.929 12.897 3.736 1.00 0.00 H new ATOM 0 HA ASP A 31 5.348 10.964 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.089 12.527 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.238 11.635 3.875 1.00 0.00 H new ATOM 516 N LEU A 32 4.773 10.192 5.503 1.00 0.00 N ATOM 517 CA LEU A 32 4.770 9.118 6.484 1.00 0.00 C ATOM 518 C LEU A 32 3.829 7.997 6.059 1.00 0.00 C ATOM 519 O LEU A 32 4.196 6.821 6.103 1.00 0.00 O ATOM 520 CB LEU A 32 4.358 9.675 7.852 1.00 0.00 C ATOM 521 CG LEU A 32 4.316 8.663 9.001 1.00 0.00 C ATOM 522 CD1 LEU A 32 5.639 7.930 9.118 1.00 0.00 C ATOM 523 CD2 LEU A 32 3.989 9.368 10.310 1.00 0.00 C ATOM 0 H LEU A 32 4.431 11.084 5.860 1.00 0.00 H new ATOM 0 HA LEU A 32 5.775 8.702 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.050 10.473 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.371 10.128 7.756 1.00 0.00 H new ATOM 0 HG LEU A 32 3.535 7.933 8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.588 7.216 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.844 7.399 8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.437 8.648 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.962 8.638 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.753 10.116 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.017 9.855 10.228 1.00 0.00 H new ATOM 535 N ALA A 33 2.627 8.373 5.634 1.00 0.00 N ATOM 536 CA ALA A 33 1.620 7.405 5.218 1.00 0.00 C ATOM 537 C ALA A 33 2.128 6.545 4.071 1.00 0.00 C ATOM 538 O ALA A 33 2.117 5.317 4.155 1.00 0.00 O ATOM 539 CB ALA A 33 0.338 8.117 4.810 1.00 0.00 C ATOM 0 H ALA A 33 2.326 9.346 5.569 1.00 0.00 H new ATOM 0 HA ALA A 33 1.410 6.753 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.405 7.381 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.046 8.688 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.545 8.793 3.980 1.00 0.00 H new ATOM 545 N LEU A 34 2.595 7.198 3.011 1.00 0.00 N ATOM 546 CA LEU A 34 3.046 6.497 1.815 1.00 0.00 C ATOM 547 C LEU A 34 4.211 5.563 2.122 1.00 0.00 C ATOM 548 O LEU A 34 4.234 4.422 1.665 1.00 0.00 O ATOM 549 CB LEU A 34 3.449 7.495 0.726 1.00 0.00 C ATOM 550 CG LEU A 34 2.310 8.369 0.191 1.00 0.00 C ATOM 551 CD1 LEU A 34 2.820 9.317 -0.884 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.181 7.501 -0.354 1.00 0.00 C ATOM 0 H LEU A 34 2.671 8.214 2.957 1.00 0.00 H new ATOM 0 HA LEU A 34 2.213 5.894 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.230 8.145 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.885 6.944 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 34 1.920 8.965 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.996 9.929 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.592 9.962 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.239 8.740 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.381 8.139 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.560 6.878 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.794 6.865 0.442 1.00 0.00 H new ATOM 564 N MET A 35 5.165 6.041 2.912 1.00 0.00 N ATOM 565 CA MET A 35 6.345 5.248 3.234 1.00 0.00 C ATOM 566 C MET A 35 5.969 4.005 4.040 1.00 0.00 C ATOM 567 O MET A 35 6.500 2.918 3.803 1.00 0.00 O ATOM 568 CB MET A 35 7.379 6.087 3.993 1.00 0.00 C ATOM 569 CG MET A 35 8.686 5.351 4.253 1.00 0.00 C ATOM 570 SD MET A 35 9.971 6.427 4.923 1.00 0.00 S ATOM 571 CE MET A 35 9.194 6.986 6.437 1.00 0.00 C ATOM 0 H MET A 35 5.145 6.967 3.339 1.00 0.00 H new ATOM 0 HA MET A 35 6.791 4.922 2.295 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.588 6.993 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.952 6.400 4.946 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.505 4.532 4.949 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.039 4.906 3.323 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.942 7.051 7.227 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.750 7.968 6.277 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.417 6.280 6.729 1.00 0.00 H new ATOM 581 N CYS A 36 5.040 4.157 4.976 1.00 0.00 N ATOM 582 CA CYS A 36 4.591 3.030 5.783 1.00 0.00 C ATOM 583 C CYS A 36 3.806 2.036 4.931 1.00 0.00 C ATOM 584 O CYS A 36 4.057 0.830 4.977 1.00 0.00 O ATOM 585 CB CYS A 36 3.733 3.518 6.948 1.00 0.00 C ATOM 586 SG CYS A 36 4.584 4.663 8.058 1.00 0.00 S ATOM 0 H CYS A 36 4.586 5.044 5.194 1.00 0.00 H new ATOM 0 HA CYS A 36 5.470 2.524 6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.843 4.007 6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.394 2.656 7.522 1.00 0.00 H new ATOM 0 HG CYS A 36 4.594 5.851 7.531 1.00 0.00 H new ATOM 592 N LEU A 37 2.871 2.553 4.140 1.00 0.00 N ATOM 593 CA LEU A 37 2.053 1.716 3.270 1.00 0.00 C ATOM 594 C LEU A 37 2.922 0.975 2.261 1.00 0.00 C ATOM 595 O LEU A 37 2.730 -0.217 2.030 1.00 0.00 O ATOM 596 CB LEU A 37 1.003 2.563 2.540 1.00 0.00 C ATOM 597 CG LEU A 37 -0.053 3.215 3.440 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.960 4.131 2.632 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.876 2.153 4.153 1.00 0.00 C ATOM 0 H LEU A 37 2.661 3.550 4.084 1.00 0.00 H new ATOM 0 HA LEU A 37 1.540 0.982 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.516 3.347 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.495 1.933 1.810 1.00 0.00 H new ATOM 0 HG LEU A 37 0.464 3.816 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.701 4.583 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.363 4.915 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.466 3.552 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.620 2.635 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.378 1.526 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.220 1.536 4.767 1.00 0.00 H new ATOM 611 N GLY A 38 3.887 1.684 1.682 1.00 0.00 N ATOM 612 CA GLY A 38 4.772 1.086 0.698 1.00 0.00 C ATOM 613 C GLY A 38 5.508 -0.127 1.229 1.00 0.00 C ATOM 614 O GLY A 38 5.607 -1.148 0.548 1.00 0.00 O ATOM 0 H GLY A 38 4.072 2.668 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.191 0.798 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.497 1.830 0.369 1.00 0.00 H new ATOM 618 N ASN A 39 6.015 -0.024 2.449 1.00 0.00 N ATOM 619 CA ASN A 39 6.733 -1.132 3.067 1.00 0.00 C ATOM 620 C ASN A 39 5.783 -2.276 3.392 1.00 0.00 C ATOM 621 O ASN A 39 6.142 -3.446 3.261 1.00 0.00 O ATOM 622 CB ASN A 39 7.461 -0.678 4.335 1.00 0.00 C ATOM 623 CG ASN A 39 8.736 0.089 4.034 1.00 0.00 C ATOM 624 OD1 ASN A 39 9.409 -0.165 3.035 1.00 0.00 O ATOM 625 ND2 ASN A 39 9.078 1.031 4.900 1.00 0.00 N ATOM 0 H ASN A 39 5.944 0.812 3.030 1.00 0.00 H new ATOM 0 HA ASN A 39 7.476 -1.485 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.795 -0.050 4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.701 -1.550 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.927 1.577 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.493 1.211 5.716 1.00 0.00 H new ATOM 632 N ALA A 40 4.566 -1.936 3.803 1.00 0.00 N ATOM 633 CA ALA A 40 3.551 -2.939 4.096 1.00 0.00 C ATOM 634 C ALA A 40 3.209 -3.734 2.839 1.00 0.00 C ATOM 635 O ALA A 40 3.150 -4.965 2.867 1.00 0.00 O ATOM 636 CB ALA A 40 2.302 -2.284 4.669 1.00 0.00 C ATOM 0 H ALA A 40 4.259 -0.973 3.941 1.00 0.00 H new ATOM 0 HA ALA A 40 3.951 -3.626 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.555 -3.049 4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.556 -1.759 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.899 -1.574 3.946 1.00 0.00 H new ATOM 642 N VAL A 41 3.002 -3.020 1.736 1.00 0.00 N ATOM 643 CA VAL A 41 2.711 -3.649 0.452 1.00 0.00 C ATOM 644 C VAL A 41 3.866 -4.549 0.029 1.00 0.00 C ATOM 645 O VAL A 41 3.682 -5.738 -0.234 1.00 0.00 O ATOM 646 CB VAL A 41 2.469 -2.604 -0.662 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.129 -3.290 -1.974 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.370 -1.627 -0.279 1.00 0.00 C ATOM 0 H VAL A 41 3.031 -2.001 1.706 1.00 0.00 H new ATOM 0 HA VAL A 41 1.802 -4.235 0.586 1.00 0.00 H new ATOM 0 HB VAL A 41 3.392 -2.038 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.962 -2.538 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.954 -3.937 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.226 -3.888 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.226 -0.907 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.441 -2.172 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.653 -1.100 0.632 1.00 0.00 H new ATOM 658 N THR A 42 5.058 -3.973 -0.004 1.00 0.00 N ATOM 659 CA THR A 42 6.247 -4.673 -0.462 1.00 0.00 C ATOM 660 C THR A 42 6.500 -5.944 0.345 1.00 0.00 C ATOM 661 O THR A 42 6.878 -6.983 -0.205 1.00 0.00 O ATOM 662 CB THR A 42 7.477 -3.752 -0.361 1.00 0.00 C ATOM 663 OG1 THR A 42 7.243 -2.554 -1.110 1.00 0.00 O ATOM 664 CG2 THR A 42 8.729 -4.448 -0.872 1.00 0.00 C ATOM 0 H THR A 42 5.228 -3.010 0.285 1.00 0.00 H new ATOM 0 HA THR A 42 6.079 -4.955 -1.501 1.00 0.00 H new ATOM 0 HB THR A 42 7.635 -3.503 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.774 -1.903 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.581 -3.773 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.916 -5.343 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.589 -4.728 -1.916 1.00 0.00 H new ATOM 672 N ASN A 43 6.265 -5.865 1.645 1.00 0.00 N ATOM 673 CA ASN A 43 6.560 -6.976 2.531 1.00 0.00 C ATOM 674 C ASN A 43 5.656 -8.171 2.245 1.00 0.00 C ATOM 675 O ASN A 43 6.098 -9.317 2.324 1.00 0.00 O ATOM 676 CB ASN A 43 6.422 -6.556 3.994 1.00 0.00 C ATOM 677 CG ASN A 43 7.130 -7.514 4.928 1.00 0.00 C ATOM 678 OD1 ASN A 43 8.148 -8.112 4.565 1.00 0.00 O ATOM 679 ND2 ASN A 43 6.607 -7.669 6.129 1.00 0.00 N ATOM 0 H ASN A 43 5.872 -5.045 2.108 1.00 0.00 H new ATOM 0 HA ASN A 43 7.592 -7.275 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.831 -5.554 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.366 -6.506 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.045 -8.302 6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.765 -7.156 6.389 1.00 0.00 H new ATOM 686 N ILE A 44 4.396 -7.914 1.898 1.00 0.00 N ATOM 687 CA ILE A 44 3.462 -9.005 1.641 1.00 0.00 C ATOM 688 C ILE A 44 3.583 -9.503 0.198 1.00 0.00 C ATOM 689 O ILE A 44 3.298 -10.664 -0.090 1.00 0.00 O ATOM 690 CB ILE A 44 1.994 -8.620 1.970 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.131 -9.885 2.075 1.00 0.00 C ATOM 692 CG2 ILE A 44 1.417 -7.663 0.930 1.00 0.00 C ATOM 693 CD1 ILE A 44 -0.266 -9.630 2.597 1.00 0.00 C ATOM 0 H ILE A 44 4.005 -6.978 1.790 1.00 0.00 H new ATOM 0 HA ILE A 44 3.736 -9.818 2.313 1.00 0.00 H new ATOM 0 HB ILE A 44 1.988 -8.102 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.062 -10.349 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.629 -10.600 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.389 -7.416 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.014 -6.751 0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.436 -8.137 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.815 -10.571 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.208 -9.195 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.783 -8.940 1.930 1.00 0.00 H new ATOM 705 N ILE A 45 4.039 -8.634 -0.700 1.00 0.00 N ATOM 706 CA ILE A 45 4.307 -9.036 -2.079 1.00 0.00 C ATOM 707 C ILE A 45 5.457 -10.038 -2.115 1.00 0.00 C ATOM 708 O ILE A 45 5.479 -10.959 -2.931 1.00 0.00 O ATOM 709 CB ILE A 45 4.641 -7.819 -2.979 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.418 -6.912 -3.127 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.132 -8.270 -4.351 1.00 0.00 C ATOM 712 CD1 ILE A 45 3.659 -5.709 -4.018 1.00 0.00 C ATOM 0 H ILE A 45 4.230 -7.652 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 45 3.402 -9.501 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 45 5.441 -7.256 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.591 -7.495 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.110 -6.567 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.359 -7.396 -4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.031 -8.875 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.357 -8.862 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.749 -5.112 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.464 -5.104 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.937 -6.046 -5.017 1.00 0.00 H new ATOM 724 N ALA A 46 6.399 -9.873 -1.196 1.00 0.00 N ATOM 725 CA ALA A 46 7.541 -10.771 -1.106 1.00 0.00 C ATOM 726 C ALA A 46 7.132 -12.127 -0.531 1.00 0.00 C ATOM 727 O ALA A 46 7.880 -13.100 -0.616 1.00 0.00 O ATOM 728 CB ALA A 46 8.634 -10.143 -0.264 1.00 0.00 C ATOM 0 H ALA A 46 6.394 -9.125 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 46 7.924 -10.938 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.483 -10.824 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.952 -9.206 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.254 -9.947 0.739 1.00 0.00 H new ATOM 734 N GLN A 47 5.942 -12.178 0.058 1.00 0.00 N ATOM 735 CA GLN A 47 5.399 -13.426 0.581 1.00 0.00 C ATOM 736 C GLN A 47 4.727 -14.203 -0.541 1.00 0.00 C ATOM 737 O GLN A 47 4.448 -15.395 -0.418 1.00 0.00 O ATOM 738 CB GLN A 47 4.394 -13.145 1.701 1.00 0.00 C ATOM 739 CG GLN A 47 4.984 -12.362 2.859 1.00 0.00 C ATOM 740 CD GLN A 47 3.942 -11.952 3.881 1.00 0.00 C ATOM 741 OE1 GLN A 47 2.947 -12.645 4.086 1.00 0.00 O ATOM 742 NE2 GLN A 47 4.160 -10.815 4.521 1.00 0.00 N ATOM 0 H GLN A 47 5.335 -11.368 0.185 1.00 0.00 H new ATOM 0 HA GLN A 47 6.215 -14.021 0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.550 -12.591 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.003 -14.092 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.748 -12.966 3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.480 -11.471 2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.999 -10.270 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.489 -10.483 5.214 1.00 0.00 H new ATOM 751 N VAL A 48 4.472 -13.506 -1.635 1.00 0.00 N ATOM 752 CA VAL A 48 3.884 -14.108 -2.817 1.00 0.00 C ATOM 753 C VAL A 48 4.971 -14.814 -3.619 1.00 0.00 C ATOM 754 O VAL A 48 6.073 -14.276 -3.767 1.00 0.00 O ATOM 755 CB VAL A 48 3.201 -13.033 -3.699 1.00 0.00 C ATOM 756 CG1 VAL A 48 2.504 -13.660 -4.892 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.218 -12.211 -2.879 1.00 0.00 C ATOM 0 H VAL A 48 4.667 -12.509 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 48 3.128 -14.828 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 48 3.979 -12.369 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.035 -12.879 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.234 -14.195 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.742 -14.357 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.749 -11.462 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.452 -12.867 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.748 -11.715 -2.066 1.00 0.00 H new ATOM 767 N PRO A 49 4.693 -16.042 -4.105 1.00 0.00 N ATOM 768 CA PRO A 49 5.628 -16.796 -4.943 1.00 0.00 C ATOM 769 C PRO A 49 6.266 -15.925 -6.023 1.00 0.00 C ATOM 770 O PRO A 49 5.564 -15.273 -6.797 1.00 0.00 O ATOM 771 CB PRO A 49 4.742 -17.868 -5.572 1.00 0.00 C ATOM 772 CG PRO A 49 3.676 -18.113 -4.561 1.00 0.00 C ATOM 773 CD PRO A 49 3.451 -16.801 -3.852 1.00 0.00 C ATOM 0 HA PRO A 49 6.465 -17.196 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.321 -17.529 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.307 -18.777 -5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.759 -18.458 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.979 -18.888 -3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.578 -16.280 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.283 -16.947 -2.785 1.00 0.00 H new ATOM 781 N GLU A 50 7.596 -15.928 -6.060 1.00 0.00 N ATOM 782 CA GLU A 50 8.373 -15.057 -6.944 1.00 0.00 C ATOM 783 C GLU A 50 7.898 -15.141 -8.397 1.00 0.00 C ATOM 784 O GLU A 50 7.898 -14.139 -9.115 1.00 0.00 O ATOM 785 CB GLU A 50 9.855 -15.420 -6.837 1.00 0.00 C ATOM 786 CG GLU A 50 10.781 -14.479 -7.587 1.00 0.00 C ATOM 787 CD GLU A 50 12.239 -14.788 -7.327 1.00 0.00 C ATOM 788 OE1 GLU A 50 12.740 -15.797 -7.861 1.00 0.00 O ATOM 789 OE2 GLU A 50 12.886 -14.025 -6.581 1.00 0.00 O ATOM 0 H GLU A 50 8.170 -16.537 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 50 8.224 -14.026 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.140 -15.431 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.998 -16.432 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.581 -14.550 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.570 -13.451 -7.291 1.00 0.00 H new ATOM 796 N SER A 51 7.469 -16.331 -8.801 1.00 0.00 N ATOM 797 CA SER A 51 6.923 -16.570 -10.136 1.00 0.00 C ATOM 798 C SER A 51 5.826 -15.559 -10.498 1.00 0.00 C ATOM 799 O SER A 51 5.670 -15.195 -11.662 1.00 0.00 O ATOM 800 CB SER A 51 6.378 -18.002 -10.212 1.00 0.00 C ATOM 801 OG SER A 51 5.824 -18.296 -11.487 1.00 0.00 O ATOM 0 H SER A 51 7.489 -17.163 -8.211 1.00 0.00 H new ATOM 0 HA SER A 51 7.727 -16.441 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.181 -18.707 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.616 -18.141 -9.445 1.00 0.00 H new ATOM 0 HG SER A 51 5.490 -19.217 -11.494 1.00 0.00 H new ATOM 807 N LYS A 52 5.067 -15.104 -9.510 1.00 0.00 N ATOM 808 CA LYS A 52 4.016 -14.127 -9.761 1.00 0.00 C ATOM 809 C LYS A 52 4.227 -12.884 -8.908 1.00 0.00 C ATOM 810 O LYS A 52 3.396 -11.979 -8.894 1.00 0.00 O ATOM 811 CB LYS A 52 2.633 -14.737 -9.499 1.00 0.00 C ATOM 812 CG LYS A 52 2.426 -15.224 -8.077 1.00 0.00 C ATOM 813 CD LYS A 52 1.064 -15.880 -7.893 1.00 0.00 C ATOM 814 CE LYS A 52 1.038 -17.320 -8.399 1.00 0.00 C ATOM 815 NZ LYS A 52 1.121 -17.422 -9.883 1.00 0.00 N ATOM 0 H LYS A 52 5.158 -15.392 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 52 4.064 -13.835 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.871 -13.993 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.482 -15.572 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.210 -15.937 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.520 -14.384 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.796 -15.864 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.309 -15.298 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.869 -17.869 -7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.121 -17.801 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.545 -18.225 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.765 -16.544 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.111 -17.569 -10.166 1.00 0.00 H new ATOM 829 N ARG A 53 5.360 -12.842 -8.219 1.00 0.00 N ATOM 830 CA ARG A 53 5.698 -11.723 -7.349 1.00 0.00 C ATOM 831 C ARG A 53 5.939 -10.469 -8.176 1.00 0.00 C ATOM 832 O ARG A 53 5.518 -9.375 -7.808 1.00 0.00 O ATOM 833 CB ARG A 53 6.945 -12.062 -6.530 1.00 0.00 C ATOM 834 CG ARG A 53 7.340 -10.994 -5.526 1.00 0.00 C ATOM 835 CD ARG A 53 8.630 -11.359 -4.803 1.00 0.00 C ATOM 836 NE ARG A 53 8.523 -12.628 -4.082 1.00 0.00 N ATOM 837 CZ ARG A 53 9.566 -13.402 -3.774 1.00 0.00 C ATOM 838 NH1 ARG A 53 10.793 -13.063 -4.158 1.00 0.00 N ATOM 839 NH2 ARG A 53 9.381 -14.524 -3.092 1.00 0.00 N ATOM 0 H ARG A 53 6.066 -13.577 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 53 4.866 -11.538 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.774 -12.998 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.779 -12.230 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.466 -10.040 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.539 -10.862 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.444 -11.422 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.888 -10.566 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 53 7.595 -12.940 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.942 -12.207 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.585 -13.659 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.441 -14.796 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.178 -15.115 -2.857 1.00 0.00 H new ATOM 853 N VAL A 54 6.610 -10.640 -9.306 1.00 0.00 N ATOM 854 CA VAL A 54 6.855 -9.531 -10.217 1.00 0.00 C ATOM 855 C VAL A 54 5.550 -9.101 -10.881 1.00 0.00 C ATOM 856 O VAL A 54 5.311 -7.916 -11.107 1.00 0.00 O ATOM 857 CB VAL A 54 7.890 -9.907 -11.300 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.212 -8.714 -12.188 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.157 -10.454 -10.657 1.00 0.00 C ATOM 0 H VAL A 54 6.994 -11.534 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 54 7.259 -8.704 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 54 7.455 -10.684 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.943 -9.008 -12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.302 -8.371 -12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.622 -7.908 -11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.876 -10.714 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.588 -9.697 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.915 -11.343 -10.074 1.00 0.00 H new ATOM 869 N ALA A 55 4.693 -10.074 -11.160 1.00 0.00 N ATOM 870 CA ALA A 55 3.412 -9.806 -11.796 1.00 0.00 C ATOM 871 C ALA A 55 2.520 -8.954 -10.900 1.00 0.00 C ATOM 872 O ALA A 55 2.013 -7.918 -11.324 1.00 0.00 O ATOM 873 CB ALA A 55 2.717 -11.112 -12.149 1.00 0.00 C ATOM 0 H ALA A 55 4.863 -11.059 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 55 3.599 -9.246 -12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.760 -10.898 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.343 -11.683 -12.835 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.550 -11.692 -11.241 1.00 0.00 H new ATOM 879 N VAL A 56 2.351 -9.383 -9.653 1.00 0.00 N ATOM 880 CA VAL A 56 1.443 -8.709 -8.731 1.00 0.00 C ATOM 881 C VAL A 56 1.893 -7.278 -8.426 1.00 0.00 C ATOM 882 O VAL A 56 1.056 -6.385 -8.280 1.00 0.00 O ATOM 883 CB VAL A 56 1.259 -9.493 -7.409 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.591 -10.834 -7.673 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.587 -9.689 -6.693 1.00 0.00 C ATOM 0 H VAL A 56 2.830 -10.193 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 56 0.480 -8.668 -9.240 1.00 0.00 H new ATOM 0 HB VAL A 56 0.613 -8.904 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.470 -11.371 -6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.387 -10.670 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.211 -11.422 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.424 -10.243 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.268 -10.248 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.022 -8.717 -6.462 1.00 0.00 H new ATOM 895 N VAL A 57 3.202 -7.046 -8.356 1.00 0.00 N ATOM 896 CA VAL A 57 3.704 -5.708 -8.058 1.00 0.00 C ATOM 897 C VAL A 57 3.561 -4.795 -9.279 1.00 0.00 C ATOM 898 O VAL A 57 3.309 -3.598 -9.138 1.00 0.00 O ATOM 899 CB VAL A 57 5.172 -5.719 -7.555 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.128 -6.237 -8.616 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.590 -4.332 -7.086 1.00 0.00 C ATOM 0 H VAL A 57 3.923 -7.754 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 57 3.093 -5.315 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 57 5.222 -6.403 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.145 -6.229 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.852 -7.256 -8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.074 -5.599 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.622 -4.362 -6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.507 -3.628 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.941 -4.013 -6.271 1.00 0.00 H new ATOM 911 N ASP A 58 3.693 -5.361 -10.475 1.00 0.00 N ATOM 912 CA ASP A 58 3.488 -4.587 -11.696 1.00 0.00 C ATOM 913 C ASP A 58 2.008 -4.281 -11.895 1.00 0.00 C ATOM 914 O ASP A 58 1.652 -3.205 -12.372 1.00 0.00 O ATOM 915 CB ASP A 58 4.051 -5.301 -12.928 1.00 0.00 C ATOM 916 CG ASP A 58 5.479 -4.887 -13.238 1.00 0.00 C ATOM 917 OD1 ASP A 58 5.711 -3.687 -13.521 1.00 0.00 O ATOM 918 OD2 ASP A 58 6.375 -5.755 -13.211 1.00 0.00 O ATOM 0 H ASP A 58 3.938 -6.340 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 58 4.033 -3.650 -11.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.015 -6.379 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.419 -5.086 -13.789 1.00 0.00 H new ATOM 923 N ASN A 59 1.148 -5.226 -11.528 1.00 0.00 N ATOM 924 CA ASN A 59 -0.295 -4.989 -11.559 1.00 0.00 C ATOM 925 C ASN A 59 -0.651 -3.885 -10.577 1.00 0.00 C ATOM 926 O ASN A 59 -1.390 -2.957 -10.903 1.00 0.00 O ATOM 927 CB ASN A 59 -1.085 -6.255 -11.202 1.00 0.00 C ATOM 928 CG ASN A 59 -0.911 -7.378 -12.205 1.00 0.00 C ATOM 929 OD1 ASN A 59 -0.624 -7.145 -13.381 1.00 0.00 O ATOM 930 ND2 ASN A 59 -1.111 -8.608 -11.754 1.00 0.00 N ATOM 0 H ASN A 59 1.420 -6.156 -11.208 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.563 -4.695 -12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.771 -6.605 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.143 -6.005 -11.128 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.029 -9.403 -12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.347 -8.760 -10.773 1.00 0.00 H new ATOM 937 N PHE A 60 -0.095 -3.994 -9.377 1.00 0.00 N ATOM 938 CA PHE A 60 -0.325 -3.028 -8.312 1.00 0.00 C ATOM 939 C PHE A 60 0.091 -1.625 -8.745 1.00 0.00 C ATOM 940 O PHE A 60 -0.682 -0.675 -8.635 1.00 0.00 O ATOM 941 CB PHE A 60 0.470 -3.443 -7.073 1.00 0.00 C ATOM 942 CG PHE A 60 0.119 -2.680 -5.832 1.00 0.00 C ATOM 943 CD1 PHE A 60 -1.042 -2.962 -5.136 1.00 0.00 C ATOM 944 CD2 PHE A 60 0.960 -1.692 -5.353 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.362 -2.269 -3.988 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.644 -0.993 -4.205 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.517 -1.284 -3.521 1.00 0.00 C ATOM 0 H PHE A 60 0.529 -4.757 -9.115 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.390 -3.011 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.308 -4.505 -6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.533 -3.313 -7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.706 -3.734 -5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.873 -1.465 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.273 -2.497 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.305 -0.219 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.765 -0.741 -2.621 1.00 0.00 H new ATOM 957 N THR A 61 1.313 -1.509 -9.247 1.00 0.00 N ATOM 958 CA THR A 61 1.863 -0.222 -9.644 1.00 0.00 C ATOM 959 C THR A 61 1.106 0.379 -10.832 1.00 0.00 C ATOM 960 O THR A 61 0.832 1.583 -10.859 1.00 0.00 O ATOM 961 CB THR A 61 3.362 -0.349 -9.980 1.00 0.00 C ATOM 962 OG1 THR A 61 3.579 -1.465 -10.849 1.00 0.00 O ATOM 963 CG2 THR A 61 4.188 -0.523 -8.712 1.00 0.00 C ATOM 0 H THR A 61 1.945 -2.297 -9.389 1.00 0.00 H new ATOM 0 HA THR A 61 1.745 0.453 -8.797 1.00 0.00 H new ATOM 0 HB THR A 61 3.676 0.567 -10.480 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.602 -2.291 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.242 -0.611 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.046 0.342 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.868 -1.425 -8.190 1.00 0.00 H new ATOM 971 N LYS A 62 0.765 -0.463 -11.803 1.00 0.00 N ATOM 972 CA LYS A 62 -0.013 -0.031 -12.959 1.00 0.00 C ATOM 973 C LYS A 62 -1.369 0.502 -12.514 1.00 0.00 C ATOM 974 O LYS A 62 -1.763 1.610 -12.883 1.00 0.00 O ATOM 975 CB LYS A 62 -0.209 -1.193 -13.935 1.00 0.00 C ATOM 976 CG LYS A 62 -1.058 -0.845 -15.147 1.00 0.00 C ATOM 977 CD LYS A 62 -1.305 -2.066 -16.019 1.00 0.00 C ATOM 978 CE LYS A 62 -2.162 -1.734 -17.229 1.00 0.00 C ATOM 979 NZ LYS A 62 -3.518 -1.256 -16.848 1.00 0.00 N ATOM 0 H LYS A 62 1.016 -1.452 -11.812 1.00 0.00 H new ATOM 0 HA LYS A 62 0.534 0.766 -13.463 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.768 -1.537 -14.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.674 -2.025 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.012 -0.431 -14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.560 -0.072 -15.733 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.350 -2.474 -16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.795 -2.841 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.664 -0.969 -17.825 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.255 -2.619 -17.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.124 -1.220 -17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.933 -1.908 -16.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.447 -0.305 -16.433 1.00 0.00 H new ATOM 993 N ALA A 63 -2.070 -0.293 -11.710 1.00 0.00 N ATOM 994 CA ALA A 63 -3.384 0.085 -11.213 1.00 0.00 C ATOM 995 C ALA A 63 -3.311 1.381 -10.421 1.00 0.00 C ATOM 996 O ALA A 63 -4.132 2.275 -10.619 1.00 0.00 O ATOM 997 CB ALA A 63 -3.971 -1.029 -10.356 1.00 0.00 C ATOM 0 H ALA A 63 -1.746 -1.206 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.038 0.246 -12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.954 -0.729 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.066 -1.936 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.314 -1.220 -9.508 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.312 1.474 -9.541 1.00 0.00 N ATOM 1004 CA LEU A 64 -2.097 2.665 -8.719 1.00 0.00 C ATOM 1005 C LEU A 64 -2.107 3.941 -9.549 1.00 0.00 C ATOM 1006 O LEU A 64 -3.007 4.771 -9.412 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.763 2.574 -7.972 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.827 2.016 -6.552 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.576 1.857 -5.999 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.644 2.935 -5.658 1.00 0.00 C ATOM 0 H LEU A 64 -1.633 0.730 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.921 2.706 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.084 1.952 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.324 3.571 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.312 1.040 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.525 1.459 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.140 1.171 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.073 2.827 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.680 2.523 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.182 3.922 -5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.657 3.020 -6.052 1.00 0.00 H new ATOM 1022 N LYS A 65 -1.111 4.092 -10.416 1.00 0.00 N ATOM 1023 CA LYS A 65 -0.948 5.328 -11.171 1.00 0.00 C ATOM 1024 C LYS A 65 -2.127 5.571 -12.106 1.00 0.00 C ATOM 1025 O LYS A 65 -2.477 6.717 -12.386 1.00 0.00 O ATOM 1026 CB LYS A 65 0.371 5.325 -11.950 1.00 0.00 C ATOM 1027 CG LYS A 65 1.596 5.390 -11.046 1.00 0.00 C ATOM 1028 CD LYS A 65 2.844 5.810 -11.805 1.00 0.00 C ATOM 1029 CE LYS A 65 3.368 4.710 -12.711 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.546 5.168 -13.496 1.00 0.00 N ATOM 0 H LYS A 65 -0.409 3.379 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.919 6.148 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.424 4.424 -12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.385 6.174 -12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.411 6.095 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.761 4.414 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.622 6.694 -12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.621 6.092 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.644 3.843 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.578 4.389 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.195 4.369 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.229 5.534 -14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.039 5.921 -12.975 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.757 4.497 -12.561 1.00 0.00 N ATOM 1045 CA GLN A 66 -3.914 4.615 -13.437 1.00 0.00 C ATOM 1046 C GLN A 66 -5.113 5.187 -12.674 1.00 0.00 C ATOM 1047 O GLN A 66 -5.850 6.028 -13.197 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.254 3.255 -14.055 1.00 0.00 C ATOM 1049 CG GLN A 66 -5.432 3.291 -15.019 1.00 0.00 C ATOM 1050 CD GLN A 66 -5.561 2.024 -15.842 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -5.173 0.937 -15.408 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -6.110 2.159 -17.040 1.00 0.00 N ATOM 0 H GLN A 66 -2.488 3.538 -12.339 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.671 5.305 -14.245 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.378 2.877 -14.582 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.474 2.548 -13.255 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.352 3.447 -14.455 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.321 4.144 -15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.417 3.078 -17.360 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.225 1.344 -17.643 1.00 0.00 H new ATOM 1061 N SER A 67 -5.291 4.755 -11.429 1.00 0.00 N ATOM 1062 CA SER A 67 -6.386 5.252 -10.605 1.00 0.00 C ATOM 1063 C SER A 67 -6.046 6.604 -9.983 1.00 0.00 C ATOM 1064 O SER A 67 -6.903 7.262 -9.400 1.00 0.00 O ATOM 1065 CB SER A 67 -6.743 4.237 -9.515 1.00 0.00 C ATOM 1066 OG SER A 67 -5.592 3.804 -8.807 1.00 0.00 O ATOM 0 H SER A 67 -4.694 4.066 -10.971 1.00 0.00 H new ATOM 0 HA SER A 67 -7.252 5.390 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.452 4.684 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.238 3.377 -9.966 1.00 0.00 H new ATOM 0 HG SER A 67 -5.108 3.142 -9.343 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.791 7.011 -10.094 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.375 8.319 -9.604 1.00 0.00 C ATOM 1074 C VAL A 68 -4.614 9.393 -10.665 1.00 0.00 C ATOM 1075 O VAL A 68 -5.081 10.493 -10.356 1.00 0.00 O ATOM 1076 CB VAL A 68 -2.890 8.325 -9.168 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.402 9.737 -8.884 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.695 7.445 -7.943 1.00 0.00 C ATOM 0 H VAL A 68 -4.045 6.459 -10.517 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.982 8.543 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.299 7.924 -9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.356 9.706 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.501 10.344 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.999 10.174 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.646 7.459 -7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.307 7.821 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.992 6.423 -8.178 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.299 9.066 -11.915 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.527 9.985 -13.026 1.00 0.00 C ATOM 1090 C LEU A 69 -6.015 10.294 -13.166 1.00 0.00 C ATOM 1091 O LEU A 69 -6.406 11.446 -13.370 1.00 0.00 O ATOM 1092 CB LEU A 69 -3.982 9.398 -14.333 1.00 0.00 C ATOM 1093 CG LEU A 69 -2.470 9.165 -14.363 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -2.055 8.502 -15.666 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.721 10.474 -14.172 1.00 0.00 C ATOM 0 H LEU A 69 -3.886 8.173 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.996 10.913 -12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.483 8.449 -14.523 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.246 10.068 -15.151 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.213 8.498 -13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.976 8.345 -15.667 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.561 7.542 -15.763 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.329 9.143 -16.504 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.648 10.286 -14.197 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.987 11.165 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.991 10.911 -13.210 1.00 0.00 H new ATOM 1354 N SER B 8 9.640 10.407 13.515 1.00 0.00 N ATOM 1355 CA SER B 8 10.878 9.682 13.717 1.00 0.00 C ATOM 1356 C SER B 8 10.703 8.237 13.248 1.00 0.00 C ATOM 1357 O SER B 8 9.573 7.751 13.132 1.00 0.00 O ATOM 1358 CB SER B 8 11.281 9.733 15.192 1.00 0.00 C ATOM 1359 OG SER B 8 12.655 9.437 15.363 1.00 0.00 O ATOM 0 HA SER B 8 11.673 10.145 13.133 1.00 0.00 H new ATOM 0 HB2 SER B 8 11.068 10.723 15.595 1.00 0.00 H new ATOM 0 HB3 SER B 8 10.681 9.022 15.759 1.00 0.00 H new ATOM 0 HG SER B 8 12.793 8.470 15.289 1.00 0.00 H new ATOM 1365 N ASN B 9 11.813 7.557 12.983 1.00 0.00 N ATOM 1366 CA ASN B 9 11.783 6.197 12.437 1.00 0.00 C ATOM 1367 C ASN B 9 11.052 5.222 13.357 1.00 0.00 C ATOM 1368 O ASN B 9 10.354 4.324 12.886 1.00 0.00 O ATOM 1369 CB ASN B 9 13.203 5.691 12.172 1.00 0.00 C ATOM 1370 CG ASN B 9 13.221 4.294 11.575 1.00 0.00 C ATOM 1371 OD1 ASN B 9 13.299 3.294 12.292 1.00 0.00 O ATOM 1372 ND2 ASN B 9 13.135 4.211 10.258 1.00 0.00 N ATOM 0 H ASN B 9 12.752 7.924 13.137 1.00 0.00 H new ATOM 0 HA ASN B 9 11.233 6.245 11.497 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.710 6.379 11.495 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.765 5.691 13.106 1.00 0.00 H new ATOM 0 HD21 ASN B 9 13.132 3.298 9.804 1.00 0.00 H new ATOM 0 HD22 ASN B 9 13.072 5.060 9.697 1.00 0.00 H new ATOM 1379 N GLU B 10 11.207 5.403 14.664 1.00 0.00 N ATOM 1380 CA GLU B 10 10.557 4.531 15.638 1.00 0.00 C ATOM 1381 C GLU B 10 9.048 4.531 15.436 1.00 0.00 C ATOM 1382 O GLU B 10 8.390 3.501 15.599 1.00 0.00 O ATOM 1383 CB GLU B 10 10.876 4.961 17.073 1.00 0.00 C ATOM 1384 CG GLU B 10 12.350 5.212 17.338 1.00 0.00 C ATOM 1385 CD GLU B 10 12.767 6.633 17.021 1.00 0.00 C ATOM 1386 OE1 GLU B 10 13.053 6.928 15.844 1.00 0.00 O ATOM 1387 OE2 GLU B 10 12.804 7.465 17.951 1.00 0.00 O ATOM 0 H GLU B 10 11.776 6.144 15.074 1.00 0.00 H new ATOM 0 HA GLU B 10 10.944 3.524 15.481 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.318 5.870 17.300 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.522 4.190 17.758 1.00 0.00 H new ATOM 0 HG2 GLU B 10 12.568 4.998 18.384 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.945 4.521 16.741 1.00 0.00 H new ATOM 1394 N ARG B 11 8.508 5.688 15.065 1.00 0.00 N ATOM 1395 CA ARG B 11 7.079 5.821 14.826 1.00 0.00 C ATOM 1396 C ARG B 11 6.697 5.091 13.547 1.00 0.00 C ATOM 1397 O ARG B 11 5.676 4.409 13.492 1.00 0.00 O ATOM 1398 CB ARG B 11 6.678 7.290 14.713 1.00 0.00 C ATOM 1399 CG ARG B 11 5.203 7.525 14.975 1.00 0.00 C ATOM 1400 CD ARG B 11 4.762 8.911 14.540 1.00 0.00 C ATOM 1401 NE ARG B 11 3.638 9.405 15.335 1.00 0.00 N ATOM 1402 CZ ARG B 11 2.448 8.805 15.445 1.00 0.00 C ATOM 1403 NH1 ARG B 11 2.168 7.699 14.761 1.00 0.00 N ATOM 1404 NH2 ARG B 11 1.523 9.326 16.240 1.00 0.00 N ATOM 0 H ARG B 11 9.041 6.546 14.924 1.00 0.00 H new ATOM 0 HA ARG B 11 6.551 5.381 15.672 1.00 0.00 H new ATOM 0 HB2 ARG B 11 7.265 7.876 15.420 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.926 7.653 13.716 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.617 6.775 14.445 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.999 7.396 16.038 1.00 0.00 H new ATOM 0 HD2 ARG B 11 5.600 9.602 14.629 1.00 0.00 H new ATOM 0 HD3 ARG B 11 4.479 8.887 13.488 1.00 0.00 H new ATOM 0 HE ARG B 11 3.773 10.277 15.847 1.00 0.00 H new ATOM 0 HH11 ARG B 11 2.867 7.293 14.139 1.00 0.00 H new ATOM 0 HH12 ARG B 11 1.254 7.256 14.859 1.00 0.00 H new ATOM 0 HH21 ARG B 11 1.721 10.179 16.763 1.00 0.00 H new ATOM 0 HH22 ARG B 11 0.613 8.874 16.329 1.00 0.00 H new ATOM 1418 N VAL B 12 7.534 5.238 12.525 1.00 0.00 N ATOM 1419 CA VAL B 12 7.320 4.568 11.246 1.00 0.00 C ATOM 1420 C VAL B 12 7.262 3.060 11.451 1.00 0.00 C ATOM 1421 O VAL B 12 6.361 2.385 10.955 1.00 0.00 O ATOM 1422 CB VAL B 12 8.450 4.891 10.244 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.144 4.301 8.874 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.675 6.393 10.150 1.00 0.00 C ATOM 0 H VAL B 12 8.372 5.819 12.558 1.00 0.00 H new ATOM 0 HA VAL B 12 6.376 4.930 10.839 1.00 0.00 H new ATOM 0 HB VAL B 12 9.369 4.434 10.610 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.954 4.541 8.185 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.048 3.218 8.957 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.211 4.720 8.497 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.475 6.597 9.439 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.758 6.878 9.814 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.953 6.781 11.130 1.00 0.00 H new ATOM 1434 N GLU B 13 8.226 2.558 12.212 1.00 0.00 N ATOM 1435 CA GLU B 13 8.319 1.138 12.523 1.00 0.00 C ATOM 1436 C GLU B 13 7.040 0.649 13.204 1.00 0.00 C ATOM 1437 O GLU B 13 6.545 -0.441 12.908 1.00 0.00 O ATOM 1438 CB GLU B 13 9.539 0.899 13.416 1.00 0.00 C ATOM 1439 CG GLU B 13 9.822 -0.563 13.719 1.00 0.00 C ATOM 1440 CD GLU B 13 11.108 -0.749 14.499 1.00 0.00 C ATOM 1441 OE1 GLU B 13 11.163 -0.324 15.675 1.00 0.00 O ATOM 1442 OE2 GLU B 13 12.071 -1.321 13.945 1.00 0.00 O ATOM 0 H GLU B 13 8.965 3.123 12.631 1.00 0.00 H new ATOM 0 HA GLU B 13 8.436 0.572 11.599 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.416 1.334 12.936 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.395 1.430 14.357 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.991 -0.982 14.287 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.882 -1.121 12.784 1.00 0.00 H new ATOM 1449 N LYS B 14 6.502 1.474 14.099 1.00 0.00 N ATOM 1450 CA LYS B 14 5.250 1.158 14.778 1.00 0.00 C ATOM 1451 C LYS B 14 4.087 1.102 13.791 1.00 0.00 C ATOM 1452 O LYS B 14 3.321 0.140 13.778 1.00 0.00 O ATOM 1453 CB LYS B 14 4.944 2.192 15.867 1.00 0.00 C ATOM 1454 CG LYS B 14 3.483 2.186 16.290 1.00 0.00 C ATOM 1455 CD LYS B 14 3.175 3.253 17.322 1.00 0.00 C ATOM 1456 CE LYS B 14 1.674 3.472 17.454 1.00 0.00 C ATOM 1457 NZ LYS B 14 0.936 2.201 17.688 1.00 0.00 N ATOM 0 H LYS B 14 6.914 2.367 14.370 1.00 0.00 H new ATOM 0 HA LYS B 14 5.369 0.177 15.239 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.570 1.993 16.737 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.208 3.185 15.504 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.853 2.340 15.414 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.230 1.207 16.697 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.589 2.960 18.287 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.658 4.188 17.038 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.480 4.159 18.278 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.297 3.947 16.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.083 2.393 18.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 0.661 1.786 16.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.547 1.534 18.202 1.00 0.00 H new ATOM 1471 N ILE B 15 3.965 2.137 12.968 1.00 0.00 N ATOM 1472 CA ILE B 15 2.848 2.248 12.038 1.00 0.00 C ATOM 1473 C ILE B 15 2.826 1.069 11.073 1.00 0.00 C ATOM 1474 O ILE B 15 1.770 0.485 10.826 1.00 0.00 O ATOM 1475 CB ILE B 15 2.901 3.572 11.248 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.879 4.760 12.213 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.735 3.660 10.273 1.00 0.00 C ATOM 1478 CD1 ILE B 15 3.061 6.099 11.536 1.00 0.00 C ATOM 0 H ILE B 15 4.627 2.912 12.926 1.00 0.00 H new ATOM 0 HA ILE B 15 1.932 2.238 12.629 1.00 0.00 H new ATOM 0 HB ILE B 15 3.829 3.600 10.676 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.931 4.761 12.751 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.667 4.628 12.955 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.789 4.601 9.725 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.784 2.828 9.571 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.796 3.615 10.824 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.034 6.891 12.284 1.00 0.00 H new ATOM 0 HD12 ILE B 15 4.021 6.119 11.021 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.259 6.254 10.814 1.00 0.00 H new ATOM 1490 N ILE B 16 3.992 0.709 10.546 1.00 0.00 N ATOM 1491 CA ILE B 16 4.104 -0.445 9.664 1.00 0.00 C ATOM 1492 C ILE B 16 3.658 -1.712 10.391 1.00 0.00 C ATOM 1493 O ILE B 16 2.961 -2.555 9.824 1.00 0.00 O ATOM 1494 CB ILE B 16 5.550 -0.635 9.148 1.00 0.00 C ATOM 1495 CG1 ILE B 16 6.012 0.608 8.385 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.648 -1.870 8.257 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.459 0.548 7.945 1.00 0.00 C ATOM 0 H ILE B 16 4.870 1.199 10.715 1.00 0.00 H new ATOM 0 HA ILE B 16 3.456 -0.261 8.807 1.00 0.00 H new ATOM 0 HB ILE B 16 6.203 -0.780 10.009 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.380 0.741 7.507 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.869 1.485 9.016 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.673 -1.984 7.905 1.00 0.00 H new ATOM 0 HG22 ILE B 16 5.359 -2.753 8.826 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.982 -1.756 7.402 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.715 1.463 7.411 1.00 0.00 H new ATOM 0 HD12 ILE B 16 8.101 0.447 8.820 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.604 -0.309 7.287 1.00 0.00 H new ATOM 1509 N GLN B 17 4.050 -1.828 11.656 1.00 0.00 N ATOM 1510 CA GLN B 17 3.659 -2.963 12.483 1.00 0.00 C ATOM 1511 C GLN B 17 2.140 -3.012 12.648 1.00 0.00 C ATOM 1512 O GLN B 17 1.525 -4.063 12.476 1.00 0.00 O ATOM 1513 CB GLN B 17 4.344 -2.877 13.850 1.00 0.00 C ATOM 1514 CG GLN B 17 4.015 -4.028 14.791 1.00 0.00 C ATOM 1515 CD GLN B 17 4.391 -5.383 14.220 1.00 0.00 C ATOM 1516 OE1 GLN B 17 5.520 -5.849 14.384 1.00 0.00 O ATOM 1517 NE2 GLN B 17 3.442 -6.031 13.562 1.00 0.00 N ATOM 0 H GLN B 17 4.641 -1.146 12.132 1.00 0.00 H new ATOM 0 HA GLN B 17 3.977 -3.881 11.988 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.423 -2.843 13.701 1.00 0.00 H new ATOM 0 HB3 GLN B 17 4.058 -1.940 14.328 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.538 -3.879 15.736 1.00 0.00 H new ATOM 0 HG3 GLN B 17 2.948 -4.016 15.012 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.520 -5.609 13.449 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.633 -6.952 13.168 1.00 0.00 H new ATOM 1526 N ASP B 18 1.542 -1.867 12.962 1.00 0.00 N ATOM 1527 CA ASP B 18 0.092 -1.778 13.135 1.00 0.00 C ATOM 1528 C ASP B 18 -0.635 -2.075 11.829 1.00 0.00 C ATOM 1529 O ASP B 18 -1.701 -2.690 11.832 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.323 -0.403 13.677 1.00 0.00 C ATOM 1531 CG ASP B 18 -0.087 -0.274 15.171 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -0.757 -0.993 15.945 1.00 0.00 O ATOM 1533 OD2 ASP B 18 0.764 0.543 15.585 1.00 0.00 O ATOM 0 H ASP B 18 2.037 -0.986 13.102 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.195 -2.532 13.868 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.236 0.374 13.155 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.378 -0.235 13.463 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.054 -1.652 10.712 1.00 0.00 N ATOM 1539 CA LEU B 19 -0.616 -1.962 9.401 1.00 0.00 C ATOM 1540 C LEU B 19 -0.589 -3.467 9.154 1.00 0.00 C ATOM 1541 O LEU B 19 -1.568 -4.047 8.682 1.00 0.00 O ATOM 1542 CB LEU B 19 0.149 -1.230 8.295 1.00 0.00 C ATOM 1543 CG LEU B 19 0.048 0.298 8.337 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.905 0.918 7.246 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -1.400 0.743 8.193 1.00 0.00 C ATOM 0 H LEU B 19 0.801 -1.097 10.687 1.00 0.00 H new ATOM 0 HA LEU B 19 -1.652 -1.622 9.385 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.200 -1.511 8.355 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.219 -1.577 7.329 1.00 0.00 H new ATOM 0 HG LEU B 19 0.418 0.640 9.304 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.821 2.004 7.291 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.946 0.628 7.392 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.564 0.567 6.272 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.451 1.831 8.225 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.796 0.389 7.241 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.991 0.328 9.009 1.00 0.00 H new ATOM 1557 N LEU B 20 0.534 -4.096 9.491 1.00 0.00 N ATOM 1558 CA LEU B 20 0.666 -5.545 9.369 1.00 0.00 C ATOM 1559 C LEU B 20 -0.289 -6.247 10.326 1.00 0.00 C ATOM 1560 O LEU B 20 -0.818 -7.318 10.019 1.00 0.00 O ATOM 1561 CB LEU B 20 2.109 -5.978 9.644 1.00 0.00 C ATOM 1562 CG LEU B 20 3.150 -5.446 8.655 1.00 0.00 C ATOM 1563 CD1 LEU B 20 4.545 -5.885 9.066 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.840 -5.918 7.242 1.00 0.00 C ATOM 0 H LEU B 20 1.365 -3.626 9.850 1.00 0.00 H new ATOM 0 HA LEU B 20 0.409 -5.830 8.349 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.384 -5.652 10.647 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.151 -7.067 9.640 1.00 0.00 H new ATOM 0 HG LEU B 20 3.110 -4.357 8.669 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.273 -5.499 8.353 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.770 -5.498 10.060 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.594 -6.974 9.081 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.592 -5.529 6.555 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.850 -7.008 7.212 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.856 -5.556 6.945 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.515 -5.631 11.483 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.471 -6.145 12.456 1.00 0.00 C ATOM 1578 C ASP B 21 -2.878 -6.169 11.872 1.00 0.00 C ATOM 1579 O ASP B 21 -3.638 -7.102 12.115 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.452 -5.310 13.739 1.00 0.00 C ATOM 1581 CG ASP B 21 -0.611 -5.933 14.835 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -1.134 -6.807 15.559 1.00 0.00 O ATOM 1583 OD2 ASP B 21 0.572 -5.556 14.982 1.00 0.00 O ATOM 0 H ASP B 21 -0.046 -4.772 11.769 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.176 -7.165 12.702 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -1.067 -4.315 13.514 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.473 -5.183 14.099 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.221 -5.148 11.097 1.00 0.00 N ATOM 1589 CA VAL B 22 -4.520 -5.096 10.431 1.00 0.00 C ATOM 1590 C VAL B 22 -4.662 -6.251 9.443 1.00 0.00 C ATOM 1591 O VAL B 22 -5.705 -6.901 9.366 1.00 0.00 O ATOM 1592 CB VAL B 22 -4.721 -3.757 9.688 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.033 -3.754 8.917 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -4.673 -2.592 10.665 1.00 0.00 C ATOM 0 H VAL B 22 -2.620 -4.345 10.913 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.285 -5.182 11.203 1.00 0.00 H new ATOM 0 HB VAL B 22 -3.907 -3.642 8.972 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -6.151 -2.800 8.403 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.027 -4.562 8.186 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -6.862 -3.897 9.610 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -4.816 -1.657 10.124 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.463 -2.707 11.407 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -3.705 -2.577 11.166 1.00 0.00 H new ATOM 1604 N LEU B 23 -3.584 -6.521 8.722 1.00 0.00 N ATOM 1605 CA LEU B 23 -3.571 -7.568 7.714 1.00 0.00 C ATOM 1606 C LEU B 23 -3.746 -8.941 8.353 1.00 0.00 C ATOM 1607 O LEU B 23 -4.388 -9.818 7.780 1.00 0.00 O ATOM 1608 CB LEU B 23 -2.264 -7.525 6.915 1.00 0.00 C ATOM 1609 CG LEU B 23 -1.985 -6.206 6.189 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -0.664 -6.277 5.439 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -3.120 -5.867 5.233 1.00 0.00 C ATOM 0 H LEU B 23 -2.699 -6.023 8.819 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.407 -7.394 7.036 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -1.436 -7.730 7.593 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.280 -8.329 6.180 1.00 0.00 H new ATOM 0 HG LEU B 23 -1.917 -5.415 6.936 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -0.483 -5.330 4.930 1.00 0.00 H new ATOM 0 HD12 LEU B 23 0.145 -6.470 6.144 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -0.705 -7.082 4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -2.901 -4.926 4.728 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -3.222 -6.661 4.493 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -4.050 -5.771 5.793 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.184 -9.122 9.546 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.290 -10.398 10.244 1.00 0.00 C ATOM 1625 C VAL B 24 -4.598 -10.475 11.044 1.00 0.00 C ATOM 1626 O VAL B 24 -5.059 -11.560 11.400 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.063 -10.659 11.158 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -2.064 -9.752 12.377 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -1.995 -12.121 11.571 1.00 0.00 C ATOM 0 H VAL B 24 -2.655 -8.407 10.045 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.303 -11.184 9.489 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.170 -10.424 10.578 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.189 -9.966 12.991 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -2.036 -8.711 12.056 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -2.968 -9.927 12.960 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -1.127 -12.278 12.211 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -2.901 -12.388 12.116 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -1.909 -12.746 10.682 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.203 -9.315 11.308 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.534 -9.260 11.917 1.00 0.00 C ATOM 1641 C LYS B 25 -7.556 -9.919 10.999 1.00 0.00 C ATOM 1642 O LYS B 25 -8.499 -10.571 11.456 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.958 -7.809 12.198 1.00 0.00 C ATOM 1644 CG LYS B 25 -6.357 -7.219 13.466 1.00 0.00 C ATOM 1645 CD LYS B 25 -6.612 -5.718 13.596 1.00 0.00 C ATOM 1646 CE LYS B 25 -8.086 -5.372 13.787 1.00 0.00 C ATOM 1647 NZ LYS B 25 -8.803 -5.155 12.496 1.00 0.00 N ATOM 0 H LYS B 25 -4.793 -8.402 11.110 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.491 -9.797 12.865 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -6.671 -7.187 11.350 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.045 -7.767 12.271 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -6.774 -7.731 14.333 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -5.283 -7.403 13.474 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.042 -5.331 14.441 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.240 -5.214 12.704 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.574 -6.176 14.338 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -8.167 -4.473 14.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -9.805 -5.408 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.727 -4.155 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -8.377 -5.751 11.758 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.359 -9.743 9.697 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.266 -10.313 8.708 1.00 0.00 C ATOM 1663 C GLU B 26 -7.675 -11.556 8.053 1.00 0.00 C ATOM 1664 O GLU B 26 -8.396 -12.316 7.404 1.00 0.00 O ATOM 1665 CB GLU B 26 -8.591 -9.276 7.635 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.508 -8.168 8.114 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.895 -8.673 8.448 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.641 -9.038 7.518 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -11.245 -8.712 9.645 1.00 0.00 O ATOM 0 H GLU B 26 -6.582 -9.212 9.303 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.179 -10.604 9.228 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -7.661 -8.835 7.275 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -9.055 -9.778 6.786 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -9.074 -7.696 8.995 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.579 -7.400 7.344 1.00 0.00 H new ATOM 1676 N GLU B 27 -6.368 -11.758 8.232 1.00 0.00 N ATOM 1677 CA GLU B 27 -5.645 -12.830 7.545 1.00 0.00 C ATOM 1678 C GLU B 27 -5.846 -12.709 6.039 1.00 0.00 C ATOM 1679 O GLU B 27 -6.168 -13.681 5.354 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.090 -14.211 8.041 1.00 0.00 C ATOM 1681 CG GLU B 27 -5.641 -14.524 9.460 1.00 0.00 C ATOM 1682 CD GLU B 27 -5.991 -15.935 9.883 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -5.469 -16.889 9.268 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -6.793 -16.098 10.828 1.00 0.00 O ATOM 0 H GLU B 27 -5.787 -11.191 8.849 1.00 0.00 H new ATOM 0 HA GLU B 27 -4.584 -12.727 7.771 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.177 -14.272 7.991 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -5.697 -14.973 7.368 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.563 -14.383 9.536 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -6.104 -13.817 10.148 1.00 0.00 H new ATOM 1691 N VAL B 28 -5.637 -11.497 5.539 1.00 0.00 N ATOM 1692 CA VAL B 28 -5.878 -11.174 4.138 1.00 0.00 C ATOM 1693 C VAL B 28 -5.004 -12.002 3.197 1.00 0.00 C ATOM 1694 O VAL B 28 -3.881 -12.382 3.538 1.00 0.00 O ATOM 1695 CB VAL B 28 -5.628 -9.674 3.859 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -6.562 -8.811 4.690 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.180 -9.303 4.133 1.00 0.00 C ATOM 0 H VAL B 28 -5.296 -10.711 6.093 1.00 0.00 H new ATOM 0 HA VAL B 28 -6.924 -11.415 3.946 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.833 -9.490 2.804 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.370 -7.759 4.479 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -7.596 -9.048 4.440 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.391 -9.006 5.749 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.031 -8.243 3.929 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.943 -9.508 5.177 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -3.526 -9.892 3.490 1.00 0.00 H new ATOM 1707 N THR B 29 -5.538 -12.287 2.020 1.00 0.00 N ATOM 1708 CA THR B 29 -4.782 -12.951 0.974 1.00 0.00 C ATOM 1709 C THR B 29 -3.911 -11.928 0.249 1.00 0.00 C ATOM 1710 O THR B 29 -4.119 -10.724 0.407 1.00 0.00 O ATOM 1711 CB THR B 29 -5.730 -13.630 -0.040 1.00 0.00 C ATOM 1712 OG1 THR B 29 -6.679 -12.674 -0.536 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.469 -14.800 0.594 1.00 0.00 C ATOM 0 H THR B 29 -6.501 -12.066 1.765 1.00 0.00 H new ATOM 0 HA THR B 29 -4.155 -13.717 1.431 1.00 0.00 H new ATOM 0 HB THR B 29 -5.126 -14.011 -0.863 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.276 -13.109 -1.180 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.128 -15.257 -0.144 1.00 0.00 H new ATOM 0 HG22 THR B 29 -5.748 -15.539 0.944 1.00 0.00 H new ATOM 0 HG23 THR B 29 -7.061 -14.443 1.437 1.00 0.00 H new ATOM 1721 N PRO B 30 -2.920 -12.377 -0.541 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.102 -11.476 -1.361 1.00 0.00 C ATOM 1723 C PRO B 30 -2.967 -10.532 -2.193 1.00 0.00 C ATOM 1724 O PRO B 30 -2.718 -9.327 -2.251 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.326 -12.432 -2.264 1.00 0.00 C ATOM 1726 CG PRO B 30 -1.237 -13.699 -1.485 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.503 -13.785 -0.677 1.00 0.00 C ATOM 0 HA PRO B 30 -1.462 -10.829 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.840 -12.586 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.336 -12.040 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -1.140 -14.558 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -0.361 -13.697 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -3.262 -14.382 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -2.329 -14.248 0.294 1.00 0.00 H new ATOM 1735 N ASP B 31 -3.998 -11.098 -2.811 1.00 0.00 N ATOM 1736 CA ASP B 31 -4.953 -10.330 -3.604 1.00 0.00 C ATOM 1737 C ASP B 31 -5.686 -9.308 -2.742 1.00 0.00 C ATOM 1738 O ASP B 31 -5.655 -8.105 -3.019 1.00 0.00 O ATOM 1739 CB ASP B 31 -5.965 -11.275 -4.254 1.00 0.00 C ATOM 1740 CG ASP B 31 -7.164 -10.546 -4.829 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -7.043 -9.990 -5.940 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -8.227 -10.536 -4.164 1.00 0.00 O ATOM 0 H ASP B 31 -4.195 -12.098 -2.777 1.00 0.00 H new ATOM 0 HA ASP B 31 -4.401 -9.795 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -5.473 -11.837 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -6.306 -11.999 -3.514 1.00 0.00 H new ATOM 1747 N LEU B 32 -6.319 -9.799 -1.683 1.00 0.00 N ATOM 1748 CA LEU B 32 -7.121 -8.962 -0.802 1.00 0.00 C ATOM 1749 C LEU B 32 -6.283 -7.834 -0.200 1.00 0.00 C ATOM 1750 O LEU B 32 -6.770 -6.718 -0.020 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.740 -9.816 0.309 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.706 -9.088 1.244 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.872 -8.496 0.466 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -9.213 -10.037 2.318 1.00 0.00 C ATOM 0 H LEU B 32 -6.291 -10.782 -1.413 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.918 -8.509 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.269 -10.651 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.934 -10.240 0.908 1.00 0.00 H new ATOM 0 HG LEU B 32 -8.168 -8.270 1.723 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.545 -7.983 1.153 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.495 -7.786 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.412 -9.294 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.900 -9.507 2.977 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.732 -10.873 1.849 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.371 -10.413 2.898 1.00 0.00 H new ATOM 1766 N ALA B 33 -5.021 -8.127 0.097 1.00 0.00 N ATOM 1767 CA ALA B 33 -4.124 -7.135 0.663 1.00 0.00 C ATOM 1768 C ALA B 33 -3.888 -5.996 -0.316 1.00 0.00 C ATOM 1769 O ALA B 33 -4.071 -4.831 0.022 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.803 -7.773 1.052 1.00 0.00 C ATOM 0 H ALA B 33 -4.600 -9.045 -0.046 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.594 -6.727 1.558 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.143 -7.015 1.474 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.980 -8.553 1.792 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.336 -8.210 0.169 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.509 -6.342 -1.541 1.00 0.00 N ATOM 1777 CA LEU B 34 -3.193 -5.345 -2.556 1.00 0.00 C ATOM 1778 C LEU B 34 -4.409 -4.480 -2.876 1.00 0.00 C ATOM 1779 O LEU B 34 -4.299 -3.257 -2.987 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.681 -6.020 -3.832 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.407 -6.850 -3.668 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.993 -7.458 -4.998 1.00 0.00 C ATOM 1783 CD2 LEU B 34 -0.285 -5.994 -3.097 1.00 0.00 C ATOM 0 H LEU B 34 -3.413 -7.308 -1.855 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.409 -4.701 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.468 -6.666 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.499 -5.250 -4.582 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.610 -7.661 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.085 -8.045 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.790 -8.103 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.807 -6.662 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.614 -6.600 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.082 -5.163 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.583 -5.606 -2.123 1.00 0.00 H new ATOM 1795 N MET B 35 -5.566 -5.120 -2.997 1.00 0.00 N ATOM 1796 CA MET B 35 -6.807 -4.423 -3.327 1.00 0.00 C ATOM 1797 C MET B 35 -7.203 -3.431 -2.231 1.00 0.00 C ATOM 1798 O MET B 35 -7.793 -2.389 -2.513 1.00 0.00 O ATOM 1799 CB MET B 35 -7.923 -5.441 -3.567 1.00 0.00 C ATOM 1800 CG MET B 35 -9.282 -4.821 -3.855 1.00 0.00 C ATOM 1801 SD MET B 35 -10.476 -6.023 -4.482 1.00 0.00 S ATOM 1802 CE MET B 35 -10.350 -7.314 -3.245 1.00 0.00 C ATOM 0 H MET B 35 -5.672 -6.127 -2.871 1.00 0.00 H new ATOM 0 HA MET B 35 -6.645 -3.849 -4.239 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.643 -6.080 -4.405 1.00 0.00 H new ATOM 0 HB3 MET B 35 -8.008 -6.084 -2.691 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.672 -4.369 -2.943 1.00 0.00 H new ATOM 0 HG3 MET B 35 -9.164 -4.018 -4.583 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.189 -8.001 -3.350 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.416 -7.859 -3.381 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.368 -6.868 -2.251 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.870 -3.749 -0.989 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.176 -2.859 0.124 1.00 0.00 C ATOM 1814 C CYS B 36 -6.090 -1.800 0.292 1.00 0.00 C ATOM 1815 O CYS B 36 -6.383 -0.606 0.384 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.338 -3.657 1.418 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.624 -4.922 1.337 1.00 0.00 S ATOM 0 H CYS B 36 -6.391 -4.610 -0.726 1.00 0.00 H new ATOM 0 HA CYS B 36 -8.116 -2.354 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.388 -4.133 1.662 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.568 -2.969 2.232 1.00 0.00 H new ATOM 0 HG CYS B 36 -8.162 -5.972 0.726 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.838 -2.242 0.312 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.704 -1.348 0.523 1.00 0.00 C ATOM 1825 C LEU B 37 -3.623 -0.286 -0.566 1.00 0.00 C ATOM 1826 O LEU B 37 -3.611 0.906 -0.270 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.393 -2.142 0.576 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.236 -3.062 1.792 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.972 -3.898 1.671 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.212 -2.246 3.075 1.00 0.00 C ATOM 0 H LEU B 37 -4.581 -3.221 0.184 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.856 -0.846 1.479 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.315 -2.745 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.560 -1.439 0.562 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.092 -3.736 1.826 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.878 -4.544 2.544 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.025 -4.510 0.770 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.105 -3.240 1.612 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.100 -2.914 3.929 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.374 -1.549 3.047 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.144 -1.689 3.170 1.00 0.00 H new ATOM 1842 N GLY B 38 -3.597 -0.723 -1.822 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.465 0.206 -2.935 1.00 0.00 C ATOM 1844 C GLY B 38 -4.611 1.189 -3.010 1.00 0.00 C ATOM 1845 O GLY B 38 -4.430 2.343 -3.400 1.00 0.00 O ATOM 0 H GLY B 38 -3.665 -1.705 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.527 0.753 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.411 -0.355 -3.868 1.00 0.00 H new ATOM 1849 N ASN B 39 -5.789 0.733 -2.620 1.00 0.00 N ATOM 1850 CA ASN B 39 -6.976 1.573 -2.611 1.00 0.00 C ATOM 1851 C ASN B 39 -6.804 2.702 -1.599 1.00 0.00 C ATOM 1852 O ASN B 39 -7.099 3.866 -1.885 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.187 0.716 -2.256 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.517 1.367 -2.580 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -9.684 2.584 -2.490 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -10.478 0.544 -2.971 1.00 0.00 N ATOM 0 H ASN B 39 -5.950 -0.223 -2.303 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.126 2.015 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.118 -0.232 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.157 0.485 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -11.398 0.912 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -10.298 -0.458 -3.032 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.294 2.344 -0.421 1.00 0.00 N ATOM 1864 CA ALA B 40 -6.022 3.315 0.631 1.00 0.00 C ATOM 1865 C ALA B 40 -4.893 4.256 0.218 1.00 0.00 C ATOM 1866 O ALA B 40 -4.949 5.458 0.480 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.678 2.602 1.934 1.00 0.00 C ATOM 0 H ALA B 40 -6.061 1.382 -0.173 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.920 3.912 0.790 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -5.477 3.340 2.711 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.516 1.975 2.238 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.794 1.981 1.787 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.877 3.702 -0.442 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.761 4.495 -0.945 1.00 0.00 C ATOM 1875 C VAL B 41 -3.270 5.548 -1.921 1.00 0.00 C ATOM 1876 O VAL B 41 -2.936 6.729 -1.810 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.701 3.625 -1.663 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.580 4.490 -2.219 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -1.132 2.570 -0.729 1.00 0.00 C ATOM 0 H VAL B 41 -3.806 2.704 -0.640 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.290 4.966 -0.082 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.196 3.118 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.154 3.858 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -0.991 5.204 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -0.098 5.029 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.390 1.975 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.661 3.056 0.126 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.936 1.921 -0.380 1.00 0.00 H new ATOM 1889 N THR B 42 -4.106 5.115 -2.853 1.00 0.00 N ATOM 1890 CA THR B 42 -4.632 5.998 -3.879 1.00 0.00 C ATOM 1891 C THR B 42 -5.507 7.089 -3.258 1.00 0.00 C ATOM 1892 O THR B 42 -5.542 8.225 -3.737 1.00 0.00 O ATOM 1893 CB THR B 42 -5.436 5.196 -4.920 1.00 0.00 C ATOM 1894 OG1 THR B 42 -4.637 4.117 -5.420 1.00 0.00 O ATOM 1895 CG2 THR B 42 -5.867 6.078 -6.080 1.00 0.00 C ATOM 0 H THR B 42 -4.435 4.152 -2.918 1.00 0.00 H new ATOM 0 HA THR B 42 -3.791 6.476 -4.381 1.00 0.00 H new ATOM 0 HB THR B 42 -6.328 4.806 -4.430 1.00 0.00 H new ATOM 0 HG1 THR B 42 -4.528 3.439 -4.721 1.00 0.00 H new ATOM 0 HG21 THR B 42 -6.432 5.484 -6.798 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.493 6.889 -5.707 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.986 6.494 -6.568 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.186 6.740 -2.169 1.00 0.00 N ATOM 1904 CA ASN B 43 -7.018 7.691 -1.443 1.00 0.00 C ATOM 1905 C ASN B 43 -6.158 8.797 -0.839 1.00 0.00 C ATOM 1906 O ASN B 43 -6.563 9.958 -0.793 1.00 0.00 O ATOM 1907 CB ASN B 43 -7.818 6.971 -0.345 1.00 0.00 C ATOM 1908 CG ASN B 43 -8.693 7.913 0.465 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.818 8.218 0.073 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -8.193 8.356 1.611 1.00 0.00 N ATOM 0 H ASN B 43 -6.175 5.801 -1.770 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.721 8.144 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.444 6.205 -0.802 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.127 6.460 0.325 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.747 8.974 2.204 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.255 8.079 1.899 1.00 0.00 H new ATOM 1917 N ILE B 44 -4.961 8.432 -0.397 1.00 0.00 N ATOM 1918 CA ILE B 44 -4.034 9.392 0.190 1.00 0.00 C ATOM 1919 C ILE B 44 -3.382 10.247 -0.897 1.00 0.00 C ATOM 1920 O ILE B 44 -3.314 11.470 -0.778 1.00 0.00 O ATOM 1921 CB ILE B 44 -2.936 8.682 1.019 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.561 7.856 2.148 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -1.947 9.692 1.587 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -4.373 8.675 3.131 1.00 0.00 C ATOM 0 H ILE B 44 -4.608 7.476 -0.434 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.610 10.035 0.856 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.395 8.008 0.355 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.202 7.089 1.712 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.768 7.339 2.689 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -1.185 9.169 2.165 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -1.473 10.236 0.770 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -2.474 10.394 2.232 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.782 8.020 3.900 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.733 9.424 3.596 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.189 9.171 2.605 1.00 0.00 H new ATOM 1936 N ILE B 45 -2.920 9.598 -1.963 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.254 10.294 -3.065 1.00 0.00 C ATOM 1938 C ILE B 45 -3.191 11.305 -3.731 1.00 0.00 C ATOM 1939 O ILE B 45 -2.753 12.340 -4.231 1.00 0.00 O ATOM 1940 CB ILE B 45 -1.730 9.295 -4.124 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -0.753 8.307 -3.481 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.052 10.028 -5.276 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.252 7.247 -4.437 1.00 0.00 C ATOM 0 H ILE B 45 -2.994 8.588 -2.089 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.406 10.830 -2.638 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.582 8.744 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE B 45 0.099 8.858 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.242 7.822 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.692 9.304 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.767 10.699 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.211 10.606 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.436 6.582 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.096 6.671 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE B 45 0.266 7.723 -5.269 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.485 11.016 -3.704 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.478 11.907 -4.290 1.00 0.00 C ATOM 1957 C ALA B 46 -5.577 13.214 -3.507 1.00 0.00 C ATOM 1958 O ALA B 46 -6.038 14.227 -4.030 1.00 0.00 O ATOM 1959 CB ALA B 46 -6.838 11.223 -4.352 1.00 0.00 C ATOM 0 H ALA B 46 -4.872 10.172 -3.283 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.158 12.144 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.567 11.903 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -6.765 10.323 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.156 10.953 -3.345 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.137 13.181 -2.255 1.00 0.00 N ATOM 1966 CA GLN B 47 -5.180 14.356 -1.393 1.00 0.00 C ATOM 1967 C GLN B 47 -3.895 15.167 -1.535 1.00 0.00 C ATOM 1968 O GLN B 47 -3.781 16.278 -1.014 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.379 13.930 0.061 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.607 13.059 0.262 1.00 0.00 C ATOM 1971 CD GLN B 47 -6.744 12.545 1.678 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -6.332 13.199 2.637 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -7.306 11.356 1.817 1.00 0.00 N ATOM 0 H GLN B 47 -4.745 12.350 -1.813 1.00 0.00 H new ATOM 0 HA GLN B 47 -6.019 14.982 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.496 13.387 0.399 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -5.465 14.819 0.686 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.498 13.631 0.002 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.561 12.212 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -7.634 10.848 0.996 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -7.412 10.947 2.746 1.00 0.00 H new ATOM 1982 N VAL B 48 -2.933 14.594 -2.241 1.00 0.00 N ATOM 1983 CA VAL B 48 -1.675 15.267 -2.521 1.00 0.00 C ATOM 1984 C VAL B 48 -1.845 16.172 -3.738 1.00 0.00 C ATOM 1985 O VAL B 48 -2.438 15.751 -4.732 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.544 14.242 -2.787 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.791 14.935 -3.010 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.441 13.248 -1.642 1.00 0.00 C ATOM 0 H VAL B 48 -3.001 13.655 -2.634 1.00 0.00 H new ATOM 0 HA VAL B 48 -1.399 15.862 -1.651 1.00 0.00 H new ATOM 0 HB VAL B 48 -0.797 13.700 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.563 14.188 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL B 48 0.717 15.599 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL B 48 1.052 15.516 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.359 12.537 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.223 13.781 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.385 12.712 -1.539 1.00 0.00 H new ATOM 1998 N PRO B 49 -1.360 17.430 -3.659 1.00 0.00 N ATOM 1999 CA PRO B 49 -1.428 18.391 -4.767 1.00 0.00 C ATOM 2000 C PRO B 49 -1.103 17.755 -6.116 1.00 0.00 C ATOM 2001 O PRO B 49 -0.081 17.090 -6.266 1.00 0.00 O ATOM 2002 CB PRO B 49 -0.374 19.423 -4.384 1.00 0.00 C ATOM 2003 CG PRO B 49 -0.393 19.431 -2.894 1.00 0.00 C ATOM 2004 CD PRO B 49 -0.728 18.023 -2.466 1.00 0.00 C ATOM 0 HA PRO B 49 -2.428 18.805 -4.895 1.00 0.00 H new ATOM 0 HB2 PRO B 49 0.609 19.150 -4.768 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -0.613 20.406 -4.790 1.00 0.00 H new ATOM 0 HG2 PRO B 49 0.573 19.739 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -1.133 20.138 -2.519 1.00 0.00 H new ATOM 0 HD2 PRO B 49 0.165 17.472 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -1.404 18.016 -1.611 1.00 0.00 H new ATOM 2012 N GLU B 50 -1.981 17.992 -7.085 1.00 0.00 N ATOM 2013 CA GLU B 50 -1.955 17.321 -8.386 1.00 0.00 C ATOM 2014 C GLU B 50 -0.573 17.343 -9.050 1.00 0.00 C ATOM 2015 O GLU B 50 -0.155 16.347 -9.646 1.00 0.00 O ATOM 2016 CB GLU B 50 -2.992 17.970 -9.303 1.00 0.00 C ATOM 2017 CG GLU B 50 -3.287 17.182 -10.566 1.00 0.00 C ATOM 2018 CD GLU B 50 -4.437 17.777 -11.345 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -5.599 17.598 -10.923 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -4.186 18.438 -12.374 1.00 0.00 O ATOM 0 H GLU B 50 -2.742 18.664 -6.990 1.00 0.00 H new ATOM 0 HA GLU B 50 -2.195 16.271 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.920 18.103 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -2.642 18.964 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -2.397 17.157 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -3.521 16.150 -10.304 1.00 0.00 H new ATOM 2027 N SER B 51 0.130 18.465 -8.942 1.00 0.00 N ATOM 2028 CA SER B 51 1.451 18.601 -9.547 1.00 0.00 C ATOM 2029 C SER B 51 2.417 17.529 -9.035 1.00 0.00 C ATOM 2030 O SER B 51 3.025 16.802 -9.821 1.00 0.00 O ATOM 2031 CB SER B 51 2.013 19.995 -9.281 1.00 0.00 C ATOM 2032 OG SER B 51 1.170 20.990 -9.836 1.00 0.00 O ATOM 0 H SER B 51 -0.192 19.293 -8.442 1.00 0.00 H new ATOM 0 HA SER B 51 1.342 18.461 -10.622 1.00 0.00 H new ATOM 0 HB2 SER B 51 2.113 20.153 -8.207 1.00 0.00 H new ATOM 0 HB3 SER B 51 3.012 20.078 -9.709 1.00 0.00 H new ATOM 0 HG SER B 51 1.546 21.876 -9.654 1.00 0.00 H new ATOM 2038 N LYS B 52 2.542 17.412 -7.718 1.00 0.00 N ATOM 2039 CA LYS B 52 3.440 16.420 -7.136 1.00 0.00 C ATOM 2040 C LYS B 52 2.737 15.078 -6.965 1.00 0.00 C ATOM 2041 O LYS B 52 3.373 14.071 -6.676 1.00 0.00 O ATOM 2042 CB LYS B 52 4.001 16.900 -5.793 1.00 0.00 C ATOM 2043 CG LYS B 52 2.938 17.303 -4.782 1.00 0.00 C ATOM 2044 CD LYS B 52 3.545 17.614 -3.421 1.00 0.00 C ATOM 2045 CE LYS B 52 4.639 18.668 -3.518 1.00 0.00 C ATOM 2046 NZ LYS B 52 4.117 19.986 -3.968 1.00 0.00 N ATOM 0 H LYS B 52 2.040 17.984 -7.039 1.00 0.00 H new ATOM 0 HA LYS B 52 4.273 16.288 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.613 16.107 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.659 17.751 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS B 52 2.400 18.177 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.209 16.499 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS B 52 2.764 17.962 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS B 52 3.956 16.702 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS B 52 5.117 18.782 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS B 52 5.407 18.328 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 4.892 20.679 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 3.714 19.892 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 3.379 20.310 -3.311 1.00 0.00 H new ATOM 2060 N ARG B 53 1.426 15.072 -7.161 1.00 0.00 N ATOM 2061 CA ARG B 53 0.626 13.858 -7.048 1.00 0.00 C ATOM 2062 C ARG B 53 1.115 12.798 -8.030 1.00 0.00 C ATOM 2063 O ARG B 53 1.269 11.629 -7.676 1.00 0.00 O ATOM 2064 CB ARG B 53 -0.842 14.183 -7.321 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.782 12.999 -7.191 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.201 13.382 -7.581 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.731 14.471 -6.762 1.00 0.00 N ATOM 2068 CZ ARG B 53 -4.663 15.331 -7.173 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.160 15.243 -8.404 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.092 16.285 -6.358 1.00 0.00 N ATOM 0 H ARG B 53 0.888 15.904 -7.402 1.00 0.00 H new ATOM 0 HA ARG B 53 0.729 13.464 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.163 14.963 -6.631 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -0.930 14.592 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.435 12.183 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.770 12.632 -6.165 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.219 13.678 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.849 12.511 -7.485 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.364 14.580 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -4.828 14.516 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -5.873 15.903 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.709 16.361 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -5.805 16.943 -6.673 1.00 0.00 H new ATOM 2084 N VAL B 54 1.363 13.224 -9.262 1.00 0.00 N ATOM 2085 CA VAL B 54 1.853 12.327 -10.297 1.00 0.00 C ATOM 2086 C VAL B 54 3.269 11.860 -9.963 1.00 0.00 C ATOM 2087 O VAL B 54 3.648 10.715 -10.231 1.00 0.00 O ATOM 2088 CB VAL B 54 1.843 13.013 -11.682 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.183 12.023 -12.784 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.497 13.670 -11.950 1.00 0.00 C ATOM 0 H VAL B 54 1.232 14.188 -9.568 1.00 0.00 H new ATOM 0 HA VAL B 54 1.187 11.465 -10.336 1.00 0.00 H new ATOM 0 HB VAL B 54 2.608 13.789 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.169 12.532 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.175 11.608 -12.607 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.449 11.217 -12.789 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.513 14.146 -12.930 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.288 12.914 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.300 14.421 -11.185 1.00 0.00 H new ATOM 2100 N ALA B 55 4.035 12.749 -9.346 1.00 0.00 N ATOM 2101 CA ALA B 55 5.414 12.458 -8.985 1.00 0.00 C ATOM 2102 C ALA B 55 5.492 11.466 -7.826 1.00 0.00 C ATOM 2103 O ALA B 55 6.224 10.481 -7.894 1.00 0.00 O ATOM 2104 CB ALA B 55 6.147 13.744 -8.632 1.00 0.00 C ATOM 0 H ALA B 55 3.721 13.684 -9.084 1.00 0.00 H new ATOM 0 HA ALA B 55 5.896 11.998 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.178 13.513 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.137 14.416 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.652 14.225 -7.789 1.00 0.00 H new ATOM 2110 N VAL B 56 4.727 11.723 -6.768 1.00 0.00 N ATOM 2111 CA VAL B 56 4.779 10.883 -5.574 1.00 0.00 C ATOM 2112 C VAL B 56 4.274 9.470 -5.854 1.00 0.00 C ATOM 2113 O VAL B 56 4.790 8.509 -5.290 1.00 0.00 O ATOM 2114 CB VAL B 56 3.997 11.487 -4.378 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.597 12.820 -3.957 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.518 11.649 -4.703 1.00 0.00 C ATOM 0 H VAL B 56 4.068 12.500 -6.712 1.00 0.00 H new ATOM 0 HA VAL B 56 5.832 10.836 -5.296 1.00 0.00 H new ATOM 0 HB VAL B 56 4.083 10.789 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL B 56 4.032 13.224 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.635 12.674 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.554 13.518 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL B 56 2.001 12.075 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.404 12.313 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL B 56 2.089 10.675 -4.939 1.00 0.00 H new ATOM 2126 N VAL B 57 3.286 9.335 -6.735 1.00 0.00 N ATOM 2127 CA VAL B 57 2.771 8.015 -7.070 1.00 0.00 C ATOM 2128 C VAL B 57 3.772 7.254 -7.942 1.00 0.00 C ATOM 2129 O VAL B 57 3.917 6.037 -7.813 1.00 0.00 O ATOM 2130 CB VAL B 57 1.384 8.070 -7.760 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.455 8.749 -9.118 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.797 6.671 -7.885 1.00 0.00 C ATOM 0 H VAL B 57 2.834 10.110 -7.221 1.00 0.00 H new ATOM 0 HA VAL B 57 2.635 7.482 -6.129 1.00 0.00 H new ATOM 0 HB VAL B 57 0.726 8.671 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.462 8.767 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.817 9.770 -8.996 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.137 8.198 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.177 6.727 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.465 6.048 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.682 6.235 -6.893 1.00 0.00 H new ATOM 2142 N ASP B 58 4.479 7.971 -8.815 1.00 0.00 N ATOM 2143 CA ASP B 58 5.514 7.348 -9.631 1.00 0.00 C ATOM 2144 C ASP B 58 6.665 6.901 -8.746 1.00 0.00 C ATOM 2145 O ASP B 58 7.160 5.785 -8.880 1.00 0.00 O ATOM 2146 CB ASP B 58 6.030 8.304 -10.704 1.00 0.00 C ATOM 2147 CG ASP B 58 6.954 7.617 -11.694 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.474 6.753 -12.461 1.00 0.00 O ATOM 2149 OD2 ASP B 58 8.156 7.955 -11.730 1.00 0.00 O ATOM 0 H ASP B 58 4.355 8.971 -8.973 1.00 0.00 H new ATOM 0 HA ASP B 58 5.075 6.484 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.184 8.736 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.560 9.129 -10.228 1.00 0.00 H new ATOM 2154 N ASN B 59 7.064 7.770 -7.820 1.00 0.00 N ATOM 2155 CA ASN B 59 8.116 7.443 -6.860 1.00 0.00 C ATOM 2156 C ASN B 59 7.694 6.268 -5.995 1.00 0.00 C ATOM 2157 O ASN B 59 8.511 5.419 -5.645 1.00 0.00 O ATOM 2158 CB ASN B 59 8.453 8.641 -5.964 1.00 0.00 C ATOM 2159 CG ASN B 59 9.082 9.789 -6.727 1.00 0.00 C ATOM 2160 OD1 ASN B 59 9.717 9.592 -7.761 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.926 10.998 -6.208 1.00 0.00 N ATOM 0 H ASN B 59 6.674 8.707 -7.714 1.00 0.00 H new ATOM 0 HA ASN B 59 9.007 7.178 -7.429 1.00 0.00 H new ATOM 0 HB2 ASN B 59 7.543 8.991 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN B 59 9.134 8.319 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.341 11.808 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN B 59 8.391 11.119 -5.348 1.00 0.00 H new ATOM 2168 N PHE B 60 6.410 6.228 -5.658 1.00 0.00 N ATOM 2169 CA PHE B 60 5.850 5.131 -4.882 1.00 0.00 C ATOM 2170 C PHE B 60 6.011 3.821 -5.638 1.00 0.00 C ATOM 2171 O PHE B 60 6.561 2.853 -5.116 1.00 0.00 O ATOM 2172 CB PHE B 60 4.366 5.383 -4.597 1.00 0.00 C ATOM 2173 CG PHE B 60 3.774 4.460 -3.567 1.00 0.00 C ATOM 2174 CD1 PHE B 60 3.987 4.684 -2.216 1.00 0.00 C ATOM 2175 CD2 PHE B 60 3.000 3.376 -3.946 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.443 3.842 -1.267 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.453 2.529 -2.999 1.00 0.00 C ATOM 2178 CZ PHE B 60 2.674 2.764 -1.658 1.00 0.00 C ATOM 0 H PHE B 60 5.734 6.948 -5.913 1.00 0.00 H new ATOM 0 HA PHE B 60 6.386 5.067 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.241 6.413 -4.262 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.806 5.280 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE B 60 4.585 5.527 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.821 3.189 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE B 60 3.619 4.027 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.854 1.685 -3.309 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.247 2.106 -0.916 1.00 0.00 H new ATOM 2188 N THR B 61 5.539 3.806 -6.879 1.00 0.00 N ATOM 2189 CA THR B 61 5.624 2.618 -7.714 1.00 0.00 C ATOM 2190 C THR B 61 7.080 2.260 -8.017 1.00 0.00 C ATOM 2191 O THR B 61 7.443 1.079 -8.096 1.00 0.00 O ATOM 2192 CB THR B 61 4.826 2.800 -9.026 1.00 0.00 C ATOM 2193 OG1 THR B 61 5.240 3.985 -9.721 1.00 0.00 O ATOM 2194 CG2 THR B 61 3.334 2.883 -8.732 1.00 0.00 C ATOM 0 H THR B 61 5.093 4.606 -7.328 1.00 0.00 H new ATOM 0 HA THR B 61 5.179 1.793 -7.157 1.00 0.00 H new ATOM 0 HB THR B 61 5.025 1.935 -9.658 1.00 0.00 H new ATOM 0 HG1 THR B 61 5.923 4.451 -9.195 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.786 3.011 -9.665 1.00 0.00 H new ATOM 0 HG22 THR B 61 3.008 1.965 -8.243 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.139 3.732 -8.077 1.00 0.00 H new ATOM 2202 N LYS B 62 7.907 3.291 -8.166 1.00 0.00 N ATOM 2203 CA LYS B 62 9.339 3.115 -8.355 1.00 0.00 C ATOM 2204 C LYS B 62 9.949 2.388 -7.158 1.00 0.00 C ATOM 2205 O LYS B 62 10.573 1.336 -7.309 1.00 0.00 O ATOM 2206 CB LYS B 62 10.004 4.483 -8.521 1.00 0.00 C ATOM 2207 CG LYS B 62 11.491 4.416 -8.816 1.00 0.00 C ATOM 2208 CD LYS B 62 12.165 5.760 -8.590 1.00 0.00 C ATOM 2209 CE LYS B 62 11.525 6.867 -9.413 1.00 0.00 C ATOM 2210 NZ LYS B 62 12.144 8.187 -9.127 1.00 0.00 N ATOM 0 H LYS B 62 7.604 4.265 -8.159 1.00 0.00 H new ATOM 0 HA LYS B 62 9.506 2.516 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.508 5.021 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.851 5.063 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.956 3.663 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.644 4.100 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS B 62 12.112 6.018 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.222 5.683 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS B 62 11.627 6.638 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.457 6.911 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.455 8.795 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 12.979 8.055 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 12.432 8.636 -10.020 1.00 0.00 H new ATOM 2224 N ALA B 63 9.746 2.956 -5.972 1.00 0.00 N ATOM 2225 CA ALA B 63 10.285 2.394 -4.741 1.00 0.00 C ATOM 2226 C ALA B 63 9.741 0.994 -4.497 1.00 0.00 C ATOM 2227 O ALA B 63 10.463 0.119 -4.017 1.00 0.00 O ATOM 2228 CB ALA B 63 9.965 3.304 -3.563 1.00 0.00 C ATOM 0 H ALA B 63 9.207 3.812 -5.839 1.00 0.00 H new ATOM 0 HA ALA B 63 11.368 2.321 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.373 2.873 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.408 4.286 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.884 3.406 -3.465 1.00 0.00 H new ATOM 2234 N LEU B 64 8.469 0.792 -4.835 1.00 0.00 N ATOM 2235 CA LEU B 64 7.831 -0.513 -4.702 1.00 0.00 C ATOM 2236 C LEU B 64 8.635 -1.598 -5.402 1.00 0.00 C ATOM 2237 O LEU B 64 9.148 -2.506 -4.757 1.00 0.00 O ATOM 2238 CB LEU B 64 6.411 -0.482 -5.276 1.00 0.00 C ATOM 2239 CG LEU B 64 5.309 -0.067 -4.302 1.00 0.00 C ATOM 2240 CD1 LEU B 64 3.991 0.083 -5.038 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.178 -1.093 -3.188 1.00 0.00 C ATOM 0 H LEU B 64 7.858 1.521 -5.205 1.00 0.00 H new ATOM 0 HA LEU B 64 7.786 -0.745 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.397 0.203 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.174 -1.473 -5.663 1.00 0.00 H new ATOM 0 HG LEU B 64 5.574 0.894 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.213 0.379 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.090 0.845 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.721 -0.867 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.390 -0.785 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU B 64 4.929 -2.064 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.122 -1.166 -2.648 1.00 0.00 H new ATOM 2253 N LYS B 65 8.777 -1.490 -6.716 1.00 0.00 N ATOM 2254 CA LYS B 65 9.437 -2.546 -7.479 1.00 0.00 C ATOM 2255 C LYS B 65 10.912 -2.668 -7.106 1.00 0.00 C ATOM 2256 O LYS B 65 11.479 -3.760 -7.153 1.00 0.00 O ATOM 2257 CB LYS B 65 9.261 -2.336 -8.984 1.00 0.00 C ATOM 2258 CG LYS B 65 7.810 -2.435 -9.424 1.00 0.00 C ATOM 2259 CD LYS B 65 7.682 -2.886 -10.869 1.00 0.00 C ATOM 2260 CE LYS B 65 8.190 -1.839 -11.847 1.00 0.00 C ATOM 2261 NZ LYS B 65 8.124 -2.332 -13.247 1.00 0.00 N ATOM 0 H LYS B 65 8.451 -0.698 -7.270 1.00 0.00 H new ATOM 0 HA LYS B 65 8.955 -3.488 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS B 65 9.654 -1.357 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS B 65 9.851 -3.078 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS B 65 7.282 -3.136 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.328 -1.465 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS B 65 8.240 -3.812 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS B 65 6.637 -3.107 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS B 65 7.596 -0.930 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS B 65 9.218 -1.576 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 8.042 -1.524 -13.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 8.988 -2.867 -13.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 7.296 -2.951 -13.358 1.00 0.00 H new ATOM 2275 N GLN B 66 11.523 -1.558 -6.711 1.00 0.00 N ATOM 2276 CA GLN B 66 12.904 -1.583 -6.243 1.00 0.00 C ATOM 2277 C GLN B 66 13.038 -2.433 -4.982 1.00 0.00 C ATOM 2278 O GLN B 66 13.909 -3.301 -4.895 1.00 0.00 O ATOM 2279 CB GLN B 66 13.417 -0.172 -5.954 1.00 0.00 C ATOM 2280 CG GLN B 66 13.820 0.608 -7.192 1.00 0.00 C ATOM 2281 CD GLN B 66 14.385 1.973 -6.848 1.00 0.00 C ATOM 2282 OE1 GLN B 66 14.958 2.169 -5.776 1.00 0.00 O ATOM 2283 NE2 GLN B 66 14.246 2.922 -7.759 1.00 0.00 N ATOM 0 H GLN B 66 11.088 -0.635 -6.705 1.00 0.00 H new ATOM 0 HA GLN B 66 13.505 -2.023 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN B 66 12.643 0.383 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN B 66 14.275 -0.239 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN B 66 14.562 0.040 -7.752 1.00 0.00 H new ATOM 0 HG3 GLN B 66 12.953 0.728 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN B 66 13.765 2.721 -8.636 1.00 0.00 H new ATOM 0 HE22 GLN B 66 14.620 3.855 -7.585 1.00 0.00 H new ATOM 2292 N SER B 67 12.165 -2.187 -4.017 1.00 0.00 N ATOM 2293 CA SER B 67 12.240 -2.870 -2.736 1.00 0.00 C ATOM 2294 C SER B 67 11.737 -4.309 -2.834 1.00 0.00 C ATOM 2295 O SER B 67 12.161 -5.164 -2.065 1.00 0.00 O ATOM 2296 CB SER B 67 11.469 -2.090 -1.668 1.00 0.00 C ATOM 2297 OG SER B 67 10.174 -1.743 -2.119 1.00 0.00 O ATOM 0 H SER B 67 11.397 -1.520 -4.097 1.00 0.00 H new ATOM 0 HA SER B 67 13.289 -2.914 -2.442 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.392 -2.690 -0.761 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.019 -1.186 -1.406 1.00 0.00 H new ATOM 0 HG SER B 67 10.202 -0.862 -2.547 1.00 0.00 H new ATOM 2303 N VAL B 68 10.843 -4.579 -3.783 1.00 0.00 N ATOM 2304 CA VAL B 68 10.362 -5.940 -4.011 1.00 0.00 C ATOM 2305 C VAL B 68 11.491 -6.836 -4.521 1.00 0.00 C ATOM 2306 O VAL B 68 11.599 -8.000 -4.126 1.00 0.00 O ATOM 2307 CB VAL B 68 9.177 -5.972 -5.008 1.00 0.00 C ATOM 2308 CG1 VAL B 68 8.833 -7.401 -5.405 1.00 0.00 C ATOM 2309 CG2 VAL B 68 7.956 -5.295 -4.406 1.00 0.00 C ATOM 0 H VAL B 68 10.439 -3.878 -4.404 1.00 0.00 H new ATOM 0 HA VAL B 68 10.009 -6.319 -3.052 1.00 0.00 H new ATOM 0 HB VAL B 68 9.480 -5.429 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL B 68 7.998 -7.393 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL B 68 9.698 -7.866 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.556 -7.969 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL B 68 7.133 -5.327 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.665 -5.815 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.194 -4.257 -4.172 1.00 0.00 H new