USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN :FLIP amide:sc= 0.397 F(o=-2.4!,f=0.41) USER MOD Set 1.2: A 37 THR OG1 : rot 78:sc= 0.0103 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.000457 X(o=-0.00046,f=-0.016) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00489 (180deg=-0.118) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -149:sc= -2.11 (180deg=-6.83!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -48:sc= 1.11 USER MOD Single : A 38 ASN : amide:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.11 (180deg=-0.56) USER MOD Single : A 58 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.22) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0532) USER MOD Single : A 68 LYS NZ :NH3+ 138:sc= -0.121 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -5.139 -8.797 -6.621 1.00 0.00 N ATOM 89 CA GLU A 7 -6.356 -8.154 -6.140 1.00 0.00 C ATOM 90 C GLU A 7 -7.514 -9.146 -6.096 1.00 0.00 C ATOM 91 O GLU A 7 -7.397 -10.277 -6.569 1.00 0.00 O ATOM 92 CB GLU A 7 -6.720 -6.967 -7.034 1.00 0.00 C ATOM 93 CG GLU A 7 -5.599 -5.953 -7.186 1.00 0.00 C ATOM 94 CD GLU A 7 -4.619 -6.326 -8.283 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.032 -7.021 -9.235 1.00 0.00 O ATOM 96 OE2 GLU A 7 -3.441 -5.924 -8.188 1.00 0.00 O ATOM 0 HA GLU A 7 -6.170 -7.794 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.999 -7.338 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.597 -6.468 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.027 -4.974 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.064 -5.864 -6.241 1.00 0.00 H new ATOM 103 N LEU A 8 -8.633 -8.715 -5.524 1.00 0.00 N ATOM 104 CA LEU A 8 -9.814 -9.564 -5.417 1.00 0.00 C ATOM 105 C LEU A 8 -10.967 -9.001 -6.242 1.00 0.00 C ATOM 106 O LEU A 8 -11.256 -7.805 -6.189 1.00 0.00 O ATOM 107 CB LEU A 8 -10.238 -9.700 -3.953 1.00 0.00 C ATOM 108 CG LEU A 8 -9.511 -10.772 -3.141 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.819 -12.157 -3.688 1.00 0.00 C ATOM 110 CD2 LEU A 8 -8.011 -10.517 -3.143 1.00 0.00 C ATOM 0 H LEU A 8 -8.747 -7.782 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.559 -10.549 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.090 -8.738 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.307 -9.912 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.866 -10.724 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.293 -12.907 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.892 -12.340 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.493 -12.219 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.510 -11.290 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.640 -10.537 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.807 -9.541 -2.703 1.00 0.00 H new ATOM 122 N VAL A 9 -11.624 -9.871 -7.003 1.00 0.00 N ATOM 123 CA VAL A 9 -12.747 -9.461 -7.837 1.00 0.00 C ATOM 124 C VAL A 9 -14.010 -10.235 -7.476 1.00 0.00 C ATOM 125 O VAL A 9 -13.946 -11.398 -7.076 1.00 0.00 O ATOM 126 CB VAL A 9 -12.441 -9.668 -9.332 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.227 -8.850 -9.747 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.229 -11.143 -9.633 1.00 0.00 C ATOM 0 H VAL A 9 -11.398 -10.864 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.909 -8.399 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.297 -9.322 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.026 -9.009 -10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.423 -7.793 -9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.361 -9.162 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.014 -11.271 -10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.391 -11.517 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.130 -11.700 -9.376 1.00 0.00 H new ATOM 138 N LEU A 10 -15.158 -9.582 -7.621 1.00 0.00 N ATOM 139 CA LEU A 10 -16.439 -10.209 -7.311 1.00 0.00 C ATOM 140 C LEU A 10 -17.198 -10.556 -8.587 1.00 0.00 C ATOM 141 O LEU A 10 -17.295 -9.742 -9.504 1.00 0.00 O ATOM 142 CB LEU A 10 -17.285 -9.282 -6.436 1.00 0.00 C ATOM 143 CG LEU A 10 -18.399 -9.951 -5.631 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.721 -9.137 -4.387 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.643 -10.132 -6.489 1.00 0.00 C ATOM 0 H LEU A 10 -15.228 -8.619 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.241 -11.132 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.622 -8.766 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.733 -8.521 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.053 -10.936 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.516 -9.628 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.831 -9.060 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.047 -8.139 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.425 -10.610 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.992 -9.159 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.404 -10.757 -7.349 1.00 0.00 H new ATOM 157 N ALA A 11 -17.737 -11.770 -8.637 1.00 0.00 N ATOM 158 CA ALA A 11 -18.492 -12.223 -9.799 1.00 0.00 C ATOM 159 C ALA A 11 -19.879 -11.590 -9.834 1.00 0.00 C ATOM 160 O ALA A 11 -20.666 -11.745 -8.900 1.00 0.00 O ATOM 161 CB ALA A 11 -18.602 -13.741 -9.798 1.00 0.00 C ATOM 0 H ALA A 11 -17.665 -12.457 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.956 -11.909 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.168 -14.065 -10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.604 -14.178 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.113 -14.068 -8.892 1.00 0.00 H new ATOM 167 N LEU A 12 -20.171 -10.877 -10.916 1.00 0.00 N ATOM 168 CA LEU A 12 -21.464 -10.220 -11.072 1.00 0.00 C ATOM 169 C LEU A 12 -22.583 -11.246 -11.213 1.00 0.00 C ATOM 170 O LEU A 12 -23.480 -11.322 -10.372 1.00 0.00 O ATOM 171 CB LEU A 12 -21.445 -9.298 -12.293 1.00 0.00 C ATOM 172 CG LEU A 12 -20.380 -8.200 -12.288 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.146 -7.679 -13.697 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.787 -7.066 -11.359 1.00 0.00 C ATOM 0 H LEU A 12 -19.531 -10.739 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.652 -9.626 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.303 -9.910 -13.184 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.424 -8.827 -12.383 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.447 -8.627 -11.920 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.385 -6.899 -13.675 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.809 -8.496 -14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.075 -7.269 -14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.017 -6.294 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.732 -6.640 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.904 -7.450 -10.346 1.00 0.00 H new ATOM 186 N TYR A 13 -22.524 -12.035 -12.280 1.00 0.00 N ATOM 187 CA TYR A 13 -23.533 -13.057 -12.531 1.00 0.00 C ATOM 188 C TYR A 13 -22.900 -14.444 -12.592 1.00 0.00 C ATOM 189 O TYR A 13 -21.688 -14.593 -12.436 1.00 0.00 O ATOM 190 CB TYR A 13 -24.272 -12.764 -13.838 1.00 0.00 C ATOM 191 CG TYR A 13 -24.690 -11.319 -13.987 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.805 -10.825 -13.321 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.968 -10.446 -14.792 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.190 -9.505 -13.454 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.345 -9.124 -14.930 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.457 -8.659 -14.260 1.00 0.00 C ATOM 197 OH TYR A 13 -25.837 -7.343 -14.394 1.00 0.00 O ATOM 0 H TYR A 13 -21.788 -11.986 -12.985 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.245 -13.038 -11.706 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.631 -13.036 -14.677 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.157 -13.397 -13.895 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.381 -11.484 -12.688 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.097 -10.807 -15.319 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.060 -9.138 -12.930 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.772 -8.459 -15.559 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.215 -6.883 -14.995 1.00 0.00 H new ATOM 207 N ASP A 14 -23.730 -15.456 -12.820 1.00 0.00 N ATOM 208 CA ASP A 14 -23.253 -16.832 -12.903 1.00 0.00 C ATOM 209 C ASP A 14 -22.745 -17.147 -14.307 1.00 0.00 C ATOM 210 O ASP A 14 -23.312 -16.691 -15.300 1.00 0.00 O ATOM 211 CB ASP A 14 -24.369 -17.805 -12.521 1.00 0.00 C ATOM 212 CG ASP A 14 -25.383 -17.989 -13.633 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.199 -17.069 -13.848 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.360 -19.053 -14.287 1.00 0.00 O ATOM 0 H ASP A 14 -24.736 -15.350 -12.951 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.426 -16.947 -12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.933 -18.771 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.876 -17.439 -11.628 1.00 0.00 H new ATOM 219 N TYR A 15 -21.673 -17.927 -14.381 1.00 0.00 N ATOM 220 CA TYR A 15 -21.086 -18.300 -15.663 1.00 0.00 C ATOM 221 C TYR A 15 -20.627 -19.755 -15.650 1.00 0.00 C ATOM 222 O TYR A 15 -20.590 -20.395 -14.599 1.00 0.00 O ATOM 223 CB TYR A 15 -19.906 -17.384 -15.993 1.00 0.00 C ATOM 224 CG TYR A 15 -19.626 -17.268 -17.474 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.546 -16.678 -18.331 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.439 -17.747 -18.017 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.294 -16.570 -19.685 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.179 -17.643 -19.369 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.109 -17.054 -20.200 1.00 0.00 C ATOM 230 OH TYR A 15 -18.854 -16.947 -21.548 1.00 0.00 O ATOM 0 H TYR A 15 -21.192 -18.314 -13.569 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.851 -18.187 -16.431 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.104 -16.391 -15.590 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.014 -17.759 -15.491 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.474 -16.297 -17.932 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.708 -18.208 -17.370 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.021 -16.109 -20.337 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.252 -18.021 -19.774 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.303 -16.152 -21.904 1.00 0.00 H new ATOM 240 N GLN A 16 -20.278 -20.269 -16.825 1.00 0.00 N ATOM 241 CA GLN A 16 -19.822 -21.648 -16.949 1.00 0.00 C ATOM 242 C GLN A 16 -18.539 -21.725 -17.770 1.00 0.00 C ATOM 243 O GLN A 16 -18.250 -20.837 -18.571 1.00 0.00 O ATOM 244 CB GLN A 16 -20.908 -22.511 -17.595 1.00 0.00 C ATOM 245 CG GLN A 16 -21.809 -23.208 -16.589 1.00 0.00 C ATOM 246 CD GLN A 16 -23.080 -23.745 -17.218 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.880 -22.989 -17.769 1.00 0.00 O ATOM 248 NE2 GLN A 16 -23.272 -25.056 -17.139 1.00 0.00 N ATOM 0 H GLN A 16 -20.302 -19.752 -17.704 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.615 -22.027 -15.948 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.519 -21.885 -18.245 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.435 -23.262 -18.228 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.262 -24.029 -16.125 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.069 -22.509 -15.794 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.582 -25.645 -16.673 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.109 -25.474 -17.545 1.00 0.00 H new ATOM 257 N GLU A 17 -17.774 -22.793 -17.565 1.00 0.00 N ATOM 258 CA GLU A 17 -16.521 -22.984 -18.286 1.00 0.00 C ATOM 259 C GLU A 17 -16.783 -23.367 -19.740 1.00 0.00 C ATOM 260 O GLU A 17 -16.663 -24.532 -20.119 1.00 0.00 O ATOM 261 CB GLU A 17 -15.676 -24.064 -17.608 1.00 0.00 C ATOM 262 CG GLU A 17 -16.429 -25.361 -17.361 1.00 0.00 C ATOM 263 CD GLU A 17 -15.547 -26.585 -17.512 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.337 -26.486 -17.220 1.00 0.00 O ATOM 265 OE2 GLU A 17 -16.068 -27.643 -17.923 1.00 0.00 O ATOM 0 H GLU A 17 -18.000 -23.538 -16.906 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.975 -22.041 -18.269 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.803 -24.273 -18.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.307 -23.681 -16.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.853 -25.345 -16.357 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.264 -25.431 -18.059 1.00 0.00 H new ATOM 272 N LYS A 18 -17.143 -22.377 -20.551 1.00 0.00 N ATOM 273 CA LYS A 18 -17.422 -22.607 -21.963 1.00 0.00 C ATOM 274 C LYS A 18 -16.174 -23.094 -22.692 1.00 0.00 C ATOM 275 O LYS A 18 -16.266 -23.754 -23.727 1.00 0.00 O ATOM 276 CB LYS A 18 -17.940 -21.324 -22.617 1.00 0.00 C ATOM 277 CG LYS A 18 -18.611 -21.555 -23.960 1.00 0.00 C ATOM 278 CD LYS A 18 -19.882 -22.375 -23.815 1.00 0.00 C ATOM 279 CE LYS A 18 -20.604 -22.524 -25.145 1.00 0.00 C ATOM 280 NZ LYS A 18 -19.770 -23.236 -26.152 1.00 0.00 N ATOM 0 H LYS A 18 -17.248 -21.407 -20.253 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.188 -23.379 -22.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.650 -20.844 -21.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.108 -20.632 -22.750 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.847 -20.595 -24.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.920 -22.068 -24.629 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.637 -23.361 -23.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.544 -21.898 -23.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.535 -23.070 -24.994 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.871 -21.538 -25.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.351 -23.467 -26.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.979 -22.626 -26.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.396 -24.113 -25.736 1.00 0.00 H new ATOM 294 N SER A 19 -15.008 -22.766 -22.144 1.00 0.00 N ATOM 295 CA SER A 19 -13.741 -23.169 -22.744 1.00 0.00 C ATOM 296 C SER A 19 -12.955 -24.072 -21.798 1.00 0.00 C ATOM 297 O SER A 19 -13.198 -24.112 -20.592 1.00 0.00 O ATOM 298 CB SER A 19 -12.908 -21.937 -23.101 1.00 0.00 C ATOM 299 OG SER A 19 -13.196 -21.490 -24.415 1.00 0.00 O ATOM 0 H SER A 19 -14.914 -22.223 -21.286 1.00 0.00 H new ATOM 0 HA SER A 19 -13.959 -23.728 -23.654 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.112 -21.137 -22.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.847 -22.175 -23.019 1.00 0.00 H new ATOM 0 HG SER A 19 -12.652 -20.701 -24.619 1.00 0.00 H new ATOM 305 N PRO A 20 -11.990 -24.816 -22.358 1.00 0.00 N ATOM 306 CA PRO A 20 -11.148 -25.733 -21.584 1.00 0.00 C ATOM 307 C PRO A 20 -10.181 -24.995 -20.664 1.00 0.00 C ATOM 308 O PRO A 20 -9.542 -25.601 -19.804 1.00 0.00 O ATOM 309 CB PRO A 20 -10.379 -26.503 -22.661 1.00 0.00 C ATOM 310 CG PRO A 20 -10.354 -25.588 -23.836 1.00 0.00 C ATOM 311 CD PRO A 20 -11.646 -24.820 -23.790 1.00 0.00 C ATOM 0 HA PRO A 20 -11.738 -26.370 -20.925 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.370 -26.748 -22.328 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.872 -27.444 -22.903 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.498 -24.915 -23.788 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.267 -26.150 -24.766 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.526 -23.808 -24.177 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.420 -25.300 -24.388 1.00 0.00 H new ATOM 319 N ARG A 21 -10.079 -23.683 -20.851 1.00 0.00 N ATOM 320 CA ARG A 21 -9.189 -22.862 -20.038 1.00 0.00 C ATOM 321 C ARG A 21 -9.985 -21.991 -19.071 1.00 0.00 C ATOM 322 O ARG A 21 -9.442 -21.477 -18.094 1.00 0.00 O ATOM 323 CB ARG A 21 -8.314 -21.982 -20.932 1.00 0.00 C ATOM 324 CG ARG A 21 -7.479 -22.767 -21.930 1.00 0.00 C ATOM 325 CD ARG A 21 -6.543 -21.858 -22.711 1.00 0.00 C ATOM 326 NE ARG A 21 -5.417 -22.592 -23.283 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.374 -22.005 -23.860 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.314 -20.683 -23.940 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.389 -22.742 -24.358 1.00 0.00 N ATOM 0 H ARG A 21 -10.601 -23.166 -21.558 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.550 -23.528 -19.458 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.951 -21.283 -21.474 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.650 -21.387 -20.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.897 -23.524 -21.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.137 -23.294 -22.621 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.098 -21.366 -23.510 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.168 -21.073 -22.054 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.432 -23.611 -23.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.070 -20.114 -23.558 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.512 -20.235 -24.383 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.433 -23.759 -24.298 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.588 -22.291 -24.801 1.00 0.00 H new ATOM 343 N GLU A 22 -11.274 -21.830 -19.352 1.00 0.00 N ATOM 344 CA GLU A 22 -12.144 -21.020 -18.507 1.00 0.00 C ATOM 345 C GLU A 22 -12.745 -21.859 -17.382 1.00 0.00 C ATOM 346 O GLU A 22 -12.899 -23.073 -17.512 1.00 0.00 O ATOM 347 CB GLU A 22 -13.262 -20.391 -19.342 1.00 0.00 C ATOM 348 CG GLU A 22 -12.885 -19.052 -19.952 1.00 0.00 C ATOM 349 CD GLU A 22 -13.528 -18.827 -21.307 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.757 -19.017 -21.419 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.802 -18.462 -22.256 1.00 0.00 O ATOM 0 H GLU A 22 -11.739 -22.249 -20.157 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.541 -20.227 -18.064 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.539 -21.079 -20.140 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.143 -20.260 -18.714 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.183 -18.252 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.801 -18.996 -20.054 1.00 0.00 H new ATOM 358 N VAL A 23 -13.082 -21.201 -16.277 1.00 0.00 N ATOM 359 CA VAL A 23 -13.666 -21.885 -15.129 1.00 0.00 C ATOM 360 C VAL A 23 -15.086 -21.398 -14.864 1.00 0.00 C ATOM 361 O VAL A 23 -15.512 -20.370 -15.393 1.00 0.00 O ATOM 362 CB VAL A 23 -12.818 -21.676 -13.860 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.608 -22.597 -13.869 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.390 -20.221 -13.740 1.00 0.00 C ATOM 0 H VAL A 23 -12.961 -20.196 -16.153 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.688 -22.948 -15.371 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.427 -21.925 -12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.021 -22.435 -12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.941 -23.634 -13.905 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.994 -22.382 -14.744 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.792 -20.091 -12.838 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.798 -19.943 -14.612 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.274 -19.585 -13.684 1.00 0.00 H new ATOM 374 N THR A 24 -15.818 -22.143 -14.041 1.00 0.00 N ATOM 375 CA THR A 24 -17.191 -21.788 -13.705 1.00 0.00 C ATOM 376 C THR A 24 -17.237 -20.830 -12.520 1.00 0.00 C ATOM 377 O THR A 24 -16.596 -21.064 -11.496 1.00 0.00 O ATOM 378 CB THR A 24 -18.029 -23.038 -13.374 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.906 -24.002 -14.426 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.493 -22.672 -13.182 1.00 0.00 C ATOM 0 H THR A 24 -15.482 -22.997 -13.595 1.00 0.00 H new ATOM 0 HA THR A 24 -17.615 -21.297 -14.581 1.00 0.00 H new ATOM 0 HB THR A 24 -17.653 -23.466 -12.444 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.440 -24.794 -14.208 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.065 -23.570 -12.949 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.586 -21.960 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.879 -22.223 -14.097 1.00 0.00 H new ATOM 388 N MET A 25 -18.001 -19.752 -12.667 1.00 0.00 N ATOM 389 CA MET A 25 -18.132 -18.760 -11.606 1.00 0.00 C ATOM 390 C MET A 25 -19.580 -18.652 -11.139 1.00 0.00 C ATOM 391 O MET A 25 -20.507 -18.996 -11.872 1.00 0.00 O ATOM 392 CB MET A 25 -17.637 -17.396 -12.091 1.00 0.00 C ATOM 393 CG MET A 25 -16.163 -17.150 -11.814 1.00 0.00 C ATOM 394 SD MET A 25 -15.694 -15.422 -12.029 1.00 0.00 S ATOM 395 CE MET A 25 -16.532 -15.033 -13.563 1.00 0.00 C ATOM 0 H MET A 25 -18.538 -19.544 -13.509 1.00 0.00 H new ATOM 0 HA MET A 25 -17.520 -19.082 -10.763 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.815 -17.314 -13.163 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.224 -16.614 -11.610 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.932 -17.461 -10.795 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.564 -17.771 -12.480 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.961 -14.282 -14.109 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.618 -15.935 -14.169 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.527 -14.646 -13.346 1.00 0.00 H new ATOM 405 N LYS A 26 -19.767 -18.173 -9.914 1.00 0.00 N ATOM 406 CA LYS A 26 -21.102 -18.019 -9.348 1.00 0.00 C ATOM 407 C LYS A 26 -21.336 -16.583 -8.889 1.00 0.00 C ATOM 408 O LYS A 26 -20.460 -15.961 -8.288 1.00 0.00 O ATOM 409 CB LYS A 26 -21.294 -18.979 -8.172 1.00 0.00 C ATOM 410 CG LYS A 26 -22.735 -19.087 -7.704 1.00 0.00 C ATOM 411 CD LYS A 26 -22.905 -20.187 -6.670 1.00 0.00 C ATOM 412 CE LYS A 26 -22.169 -19.858 -5.380 1.00 0.00 C ATOM 413 NZ LYS A 26 -22.664 -20.672 -4.235 1.00 0.00 N ATOM 0 H LYS A 26 -19.010 -17.885 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.828 -18.257 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.939 -19.969 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.674 -18.648 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.053 -18.135 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.382 -19.286 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.965 -20.329 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.531 -21.128 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.102 -20.034 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.291 -18.799 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.137 -20.418 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.677 -20.486 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.524 -21.682 -4.441 1.00 0.00 H new ATOM 427 N LYS A 27 -22.524 -16.061 -9.175 1.00 0.00 N ATOM 428 CA LYS A 27 -22.875 -14.700 -8.790 1.00 0.00 C ATOM 429 C LYS A 27 -22.607 -14.468 -7.306 1.00 0.00 C ATOM 430 O LYS A 27 -23.245 -15.076 -6.448 1.00 0.00 O ATOM 431 CB LYS A 27 -24.348 -14.423 -9.102 1.00 0.00 C ATOM 432 CG LYS A 27 -25.281 -15.544 -8.678 1.00 0.00 C ATOM 433 CD LYS A 27 -26.731 -15.091 -8.672 1.00 0.00 C ATOM 434 CE LYS A 27 -27.119 -14.483 -7.333 1.00 0.00 C ATOM 435 NZ LYS A 27 -28.593 -14.312 -7.208 1.00 0.00 N ATOM 0 H LYS A 27 -23.261 -16.561 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.253 -14.015 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.650 -13.502 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.458 -14.255 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.166 -16.390 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.004 -15.893 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.888 -14.359 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.379 -15.940 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.758 -15.121 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.630 -13.516 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.817 -13.895 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.935 -13.683 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.058 -15.238 -7.292 1.00 0.00 H new ATOM 449 N GLY A 28 -21.660 -13.582 -7.012 1.00 0.00 N ATOM 450 CA GLY A 28 -21.326 -13.285 -5.631 1.00 0.00 C ATOM 451 C GLY A 28 -20.093 -14.031 -5.160 1.00 0.00 C ATOM 452 O GLY A 28 -19.786 -14.044 -3.968 1.00 0.00 O ATOM 0 H GLY A 28 -21.119 -13.065 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.162 -12.213 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.170 -13.545 -4.992 1.00 0.00 H new ATOM 456 N ASP A 29 -19.386 -14.654 -6.096 1.00 0.00 N ATOM 457 CA ASP A 29 -18.180 -15.406 -5.770 1.00 0.00 C ATOM 458 C ASP A 29 -16.935 -14.545 -5.959 1.00 0.00 C ATOM 459 O ASP A 29 -16.732 -13.955 -7.020 1.00 0.00 O ATOM 460 CB ASP A 29 -18.085 -16.660 -6.640 1.00 0.00 C ATOM 461 CG ASP A 29 -17.175 -17.714 -6.040 1.00 0.00 C ATOM 462 OD1 ASP A 29 -17.634 -18.452 -5.143 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.004 -17.799 -6.465 1.00 0.00 O ATOM 0 H ASP A 29 -19.627 -14.653 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.238 -15.703 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.082 -17.080 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.716 -16.386 -7.628 1.00 0.00 H new ATOM 468 N ILE A 30 -16.106 -14.477 -4.922 1.00 0.00 N ATOM 469 CA ILE A 30 -14.882 -13.689 -4.975 1.00 0.00 C ATOM 470 C ILE A 30 -13.696 -14.543 -5.409 1.00 0.00 C ATOM 471 O ILE A 30 -13.511 -15.660 -4.925 1.00 0.00 O ATOM 472 CB ILE A 30 -14.566 -13.048 -3.610 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.748 -12.201 -3.134 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.305 -12.203 -3.701 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.632 -11.756 -1.693 1.00 0.00 C ATOM 0 H ILE A 30 -16.260 -14.958 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.046 -12.900 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.396 -13.842 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.834 -11.321 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.667 -12.774 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.095 -11.757 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.467 -12.832 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.448 -11.414 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.505 -11.160 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.577 -12.631 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.731 -11.156 -1.569 1.00 0.00 H new ATOM 487 N LEU A 31 -12.893 -14.010 -6.324 1.00 0.00 N ATOM 488 CA LEU A 31 -11.722 -14.722 -6.823 1.00 0.00 C ATOM 489 C LEU A 31 -10.488 -13.827 -6.797 1.00 0.00 C ATOM 490 O LEU A 31 -10.587 -12.620 -6.571 1.00 0.00 O ATOM 491 CB LEU A 31 -11.974 -15.222 -8.246 1.00 0.00 C ATOM 492 CG LEU A 31 -13.316 -15.913 -8.488 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.381 -14.894 -8.864 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.183 -16.973 -9.572 1.00 0.00 C ATOM 0 H LEU A 31 -13.032 -13.087 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.541 -15.576 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.897 -14.374 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.177 -15.917 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.622 -16.404 -7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.329 -15.404 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.496 -14.172 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.082 -14.374 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.148 -17.454 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.854 -16.505 -10.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.452 -17.720 -9.263 1.00 0.00 H new ATOM 506 N THR A 32 -9.324 -14.425 -7.031 1.00 0.00 N ATOM 507 CA THR A 32 -8.070 -13.682 -7.036 1.00 0.00 C ATOM 508 C THR A 32 -7.643 -13.333 -8.457 1.00 0.00 C ATOM 509 O THR A 32 -7.556 -14.205 -9.322 1.00 0.00 O ATOM 510 CB THR A 32 -6.942 -14.479 -6.354 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.287 -14.747 -4.990 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.629 -13.714 -6.410 1.00 0.00 C ATOM 0 H THR A 32 -9.224 -15.422 -7.220 1.00 0.00 H new ATOM 0 HA THR A 32 -8.245 -12.763 -6.476 1.00 0.00 H new ATOM 0 HB THR A 32 -6.818 -15.421 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.566 -15.255 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.847 -14.297 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.355 -13.538 -7.450 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.742 -12.759 -5.898 1.00 0.00 H new ATOM 520 N LEU A 33 -7.378 -12.052 -8.692 1.00 0.00 N ATOM 521 CA LEU A 33 -6.958 -11.587 -10.009 1.00 0.00 C ATOM 522 C LEU A 33 -5.561 -12.097 -10.348 1.00 0.00 C ATOM 523 O LEU A 33 -4.633 -11.976 -9.546 1.00 0.00 O ATOM 524 CB LEU A 33 -6.983 -10.059 -10.064 1.00 0.00 C ATOM 525 CG LEU A 33 -7.168 -9.440 -11.450 1.00 0.00 C ATOM 526 CD1 LEU A 33 -5.989 -9.779 -12.348 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.471 -9.915 -12.077 1.00 0.00 C ATOM 0 H LEU A 33 -7.447 -11.317 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.657 -11.983 -10.746 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.788 -9.705 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.050 -9.685 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.215 -8.357 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.139 -9.330 -13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.072 -9.389 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.910 -10.861 -12.452 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.586 -9.464 -13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.454 -11.001 -12.174 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.308 -9.621 -11.444 1.00 0.00 H new ATOM 539 N LEU A 34 -5.417 -12.666 -11.539 1.00 0.00 N ATOM 540 CA LEU A 34 -4.131 -13.192 -11.985 1.00 0.00 C ATOM 541 C LEU A 34 -3.663 -12.483 -13.252 1.00 0.00 C ATOM 542 O LEU A 34 -2.535 -11.996 -13.321 1.00 0.00 O ATOM 543 CB LEU A 34 -4.234 -14.697 -12.238 1.00 0.00 C ATOM 544 CG LEU A 34 -4.954 -15.511 -11.162 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.843 -16.999 -11.455 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.387 -15.193 -9.786 1.00 0.00 C ATOM 0 H LEU A 34 -6.174 -12.775 -12.214 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.399 -13.011 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.748 -14.851 -13.187 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.226 -15.096 -12.353 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.009 -15.238 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.361 -17.562 -10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.296 -17.214 -12.423 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.792 -17.289 -11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.911 -15.781 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.325 -15.438 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.519 -14.132 -9.575 1.00 0.00 H new ATOM 558 N ASN A 35 -4.537 -12.427 -14.251 1.00 0.00 N ATOM 559 CA ASN A 35 -4.213 -11.776 -15.515 1.00 0.00 C ATOM 560 C ASN A 35 -5.318 -10.807 -15.926 1.00 0.00 C ATOM 561 O ASN A 35 -6.489 -11.178 -15.997 1.00 0.00 O ATOM 562 CB ASN A 35 -4.002 -12.821 -16.612 1.00 0.00 C ATOM 563 CG ASN A 35 -3.301 -12.248 -17.829 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.037 -11.491 -18.633 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.112 -12.485 -18.043 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.475 -12.825 -14.210 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.291 -11.212 -15.378 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.415 -13.648 -16.214 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.967 -13.230 -16.911 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.585 -13.073 -17.397 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.654 -12.094 -18.866 1.00 0.00 H new ATOM 572 N SER A 36 -4.936 -9.563 -16.198 1.00 0.00 N ATOM 573 CA SER A 36 -5.893 -8.539 -16.599 1.00 0.00 C ATOM 574 C SER A 36 -5.421 -7.817 -17.857 1.00 0.00 C ATOM 575 O SER A 36 -5.745 -6.649 -18.076 1.00 0.00 O ATOM 576 CB SER A 36 -6.101 -7.532 -15.466 1.00 0.00 C ATOM 577 OG SER A 36 -7.048 -6.543 -15.830 1.00 0.00 O ATOM 0 H SER A 36 -3.970 -9.240 -16.148 1.00 0.00 H new ATOM 0 HA SER A 36 -6.842 -9.029 -16.817 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.440 -8.053 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.152 -7.057 -15.218 1.00 0.00 H new ATOM 0 HG SER A 36 -6.829 -6.191 -16.718 1.00 0.00 H new ATOM 583 N THR A 37 -4.651 -8.520 -18.682 1.00 0.00 N ATOM 584 CA THR A 37 -4.132 -7.947 -19.918 1.00 0.00 C ATOM 585 C THR A 37 -5.158 -8.043 -21.042 1.00 0.00 C ATOM 586 O THR A 37 -4.876 -7.684 -22.184 1.00 0.00 O ATOM 587 CB THR A 37 -2.835 -8.649 -20.361 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.048 -8.993 -19.215 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.026 -7.755 -21.289 1.00 0.00 C ATOM 0 H THR A 37 -4.373 -9.487 -18.516 1.00 0.00 H new ATOM 0 HA THR A 37 -3.917 -6.898 -19.714 1.00 0.00 H new ATOM 0 HB THR A 37 -3.105 -9.557 -20.901 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.422 -9.793 -18.790 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.114 -8.272 -21.589 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.617 -7.519 -22.174 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.766 -6.832 -20.770 1.00 0.00 H new ATOM 597 N ASN A 38 -6.350 -8.528 -20.709 1.00 0.00 N ATOM 598 CA ASN A 38 -7.418 -8.670 -21.692 1.00 0.00 C ATOM 599 C ASN A 38 -8.757 -8.233 -21.106 1.00 0.00 C ATOM 600 O ASN A 38 -9.423 -9.000 -20.410 1.00 0.00 O ATOM 601 CB ASN A 38 -7.507 -10.120 -22.172 1.00 0.00 C ATOM 602 CG ASN A 38 -7.590 -10.224 -23.683 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.863 -10.999 -24.304 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.480 -9.442 -24.282 1.00 0.00 N ATOM 0 H ASN A 38 -6.600 -8.829 -19.767 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.186 -8.027 -22.541 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.635 -10.671 -21.820 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.383 -10.594 -21.729 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.582 -9.469 -25.297 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.062 -8.814 -23.728 1.00 0.00 H new ATOM 611 N LYS A 39 -9.147 -6.996 -21.393 1.00 0.00 N ATOM 612 CA LYS A 39 -10.408 -6.456 -20.898 1.00 0.00 C ATOM 613 C LYS A 39 -11.555 -7.426 -21.159 1.00 0.00 C ATOM 614 O LYS A 39 -12.501 -7.509 -20.374 1.00 0.00 O ATOM 615 CB LYS A 39 -10.704 -5.109 -21.561 1.00 0.00 C ATOM 616 CG LYS A 39 -9.535 -4.140 -21.519 1.00 0.00 C ATOM 617 CD LYS A 39 -9.879 -2.884 -20.737 1.00 0.00 C ATOM 618 CE LYS A 39 -8.903 -1.756 -21.036 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.493 -0.741 -21.952 1.00 0.00 N ATOM 0 H LYS A 39 -8.607 -6.348 -21.967 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.316 -6.312 -19.822 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.987 -5.279 -22.600 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.562 -4.652 -21.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.673 -4.628 -21.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.249 -3.870 -22.535 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.892 -2.566 -20.985 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.866 -3.104 -19.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.607 -1.275 -20.104 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.998 -2.167 -21.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.797 0.011 -22.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.753 -1.194 -22.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.342 -0.330 -21.514 1.00 0.00 H new ATOM 633 N ASP A 40 -11.465 -8.159 -22.263 1.00 0.00 N ATOM 634 CA ASP A 40 -12.495 -9.126 -22.625 1.00 0.00 C ATOM 635 C ASP A 40 -12.585 -10.239 -21.586 1.00 0.00 C ATOM 636 O ASP A 40 -13.592 -10.371 -20.890 1.00 0.00 O ATOM 637 CB ASP A 40 -12.204 -9.721 -24.004 1.00 0.00 C ATOM 638 CG ASP A 40 -12.132 -8.664 -25.088 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.958 -7.727 -25.058 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.250 -8.773 -25.965 1.00 0.00 O ATOM 0 H ASP A 40 -10.689 -8.102 -22.923 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.452 -8.605 -22.657 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.261 -10.266 -23.969 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.981 -10.443 -24.256 1.00 0.00 H new ATOM 645 N TRP A 41 -11.528 -11.036 -21.487 1.00 0.00 N ATOM 646 CA TRP A 41 -11.488 -12.139 -20.533 1.00 0.00 C ATOM 647 C TRP A 41 -10.385 -11.927 -19.502 1.00 0.00 C ATOM 648 O TRP A 41 -9.271 -11.531 -19.845 1.00 0.00 O ATOM 649 CB TRP A 41 -11.274 -13.465 -21.263 1.00 0.00 C ATOM 650 CG TRP A 41 -12.293 -13.727 -22.331 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.292 -13.233 -23.604 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.462 -14.545 -22.216 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.391 -13.694 -24.288 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.124 -14.502 -23.459 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.014 -15.312 -21.186 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.308 -15.194 -23.696 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.189 -15.998 -21.423 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.826 -15.937 -22.670 1.00 0.00 C ATOM 0 H TRP A 41 -10.687 -10.940 -22.056 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.445 -12.171 -20.012 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.280 -13.469 -21.711 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.300 -14.279 -20.538 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.538 -12.577 -24.013 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.623 -13.471 -25.256 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.530 -15.367 -20.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.801 -15.146 -24.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.625 -16.592 -20.633 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.743 -16.487 -22.824 1.00 0.00 H new ATOM 669 N TRP A 42 -10.701 -12.194 -18.240 1.00 0.00 N ATOM 670 CA TRP A 42 -9.735 -12.033 -17.160 1.00 0.00 C ATOM 671 C TRP A 42 -9.433 -13.371 -16.495 1.00 0.00 C ATOM 672 O TRP A 42 -10.326 -14.198 -16.306 1.00 0.00 O ATOM 673 CB TRP A 42 -10.262 -11.041 -16.121 1.00 0.00 C ATOM 674 CG TRP A 42 -10.132 -9.610 -16.547 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.324 -9.118 -17.532 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.830 -8.486 -15.999 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.478 -7.756 -17.630 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.397 -7.344 -16.701 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.780 -8.333 -14.986 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.881 -6.070 -16.420 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.259 -7.068 -14.707 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.810 -5.949 -15.422 1.00 0.00 C ATOM 0 H TRP A 42 -11.619 -12.523 -17.940 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.811 -11.645 -17.588 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.311 -11.259 -15.920 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.722 -11.185 -15.185 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.661 -9.712 -18.144 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.988 -7.150 -18.288 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.134 -9.189 -14.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.536 -5.207 -16.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.992 -6.939 -13.925 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.204 -4.973 -15.181 1.00 0.00 H new ATOM 693 N LYS A 43 -8.169 -13.580 -16.142 1.00 0.00 N ATOM 694 CA LYS A 43 -7.749 -14.818 -15.497 1.00 0.00 C ATOM 695 C LYS A 43 -7.780 -14.678 -13.979 1.00 0.00 C ATOM 696 O LYS A 43 -6.995 -13.928 -13.398 1.00 0.00 O ATOM 697 CB LYS A 43 -6.341 -15.204 -15.955 1.00 0.00 C ATOM 698 CG LYS A 43 -5.929 -16.606 -15.541 1.00 0.00 C ATOM 699 CD LYS A 43 -6.293 -17.630 -16.602 1.00 0.00 C ATOM 700 CE LYS A 43 -5.117 -17.921 -17.523 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.995 -18.580 -16.798 1.00 0.00 N ATOM 0 H LYS A 43 -7.417 -12.907 -16.292 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.447 -15.604 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.287 -15.124 -17.041 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.627 -14.489 -15.547 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.854 -16.632 -15.362 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.415 -16.866 -14.601 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.618 -18.553 -16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.135 -17.263 -17.190 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.446 -18.561 -18.341 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.765 -16.990 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.443 -19.158 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.380 -17.855 -16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.377 -19.189 -16.046 1.00 0.00 H new ATOM 715 N VAL A 44 -8.691 -15.406 -13.340 1.00 0.00 N ATOM 716 CA VAL A 44 -8.823 -15.365 -11.889 1.00 0.00 C ATOM 717 C VAL A 44 -8.420 -16.695 -11.263 1.00 0.00 C ATOM 718 O VAL A 44 -8.152 -17.667 -11.967 1.00 0.00 O ATOM 719 CB VAL A 44 -10.265 -15.026 -11.465 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.671 -13.660 -11.996 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.227 -16.102 -11.947 1.00 0.00 C ATOM 0 H VAL A 44 -9.349 -16.032 -13.805 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.154 -14.581 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.307 -14.993 -10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.692 -13.438 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.998 -12.900 -11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.614 -13.661 -13.085 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.241 -15.848 -11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.183 -16.169 -13.034 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.946 -17.062 -11.513 1.00 0.00 H new ATOM 731 N GLU A 45 -8.379 -16.729 -9.934 1.00 0.00 N ATOM 732 CA GLU A 45 -8.008 -17.941 -9.213 1.00 0.00 C ATOM 733 C GLU A 45 -9.048 -18.281 -8.149 1.00 0.00 C ATOM 734 O GLU A 45 -9.528 -17.404 -7.431 1.00 0.00 O ATOM 735 CB GLU A 45 -6.633 -17.773 -8.563 1.00 0.00 C ATOM 736 CG GLU A 45 -5.852 -19.071 -8.447 1.00 0.00 C ATOM 737 CD GLU A 45 -4.454 -18.864 -7.897 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.327 -18.620 -6.679 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.488 -18.945 -8.684 1.00 0.00 O ATOM 0 H GLU A 45 -8.598 -15.932 -9.336 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.965 -18.761 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.050 -17.059 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.760 -17.345 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.394 -19.760 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.786 -19.540 -9.429 1.00 0.00 H new ATOM 746 N VAL A 46 -9.392 -19.561 -8.054 1.00 0.00 N ATOM 747 CA VAL A 46 -10.374 -20.019 -7.079 1.00 0.00 C ATOM 748 C VAL A 46 -9.733 -20.935 -6.042 1.00 0.00 C ATOM 749 O VAL A 46 -8.546 -21.250 -6.125 1.00 0.00 O ATOM 750 CB VAL A 46 -11.536 -20.766 -7.760 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.152 -19.909 -8.855 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.058 -22.098 -8.318 1.00 0.00 C ATOM 0 H VAL A 46 -9.005 -20.300 -8.641 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.765 -19.131 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.305 -20.966 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.971 -20.453 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.532 -18.984 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.395 -19.675 -9.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.892 -22.613 -8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.271 -21.924 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.668 -22.713 -7.507 1.00 0.00 H new ATOM 940 N GLN A 58 -6.329 -21.910 -11.122 1.00 0.00 N ATOM 941 CA GLN A 58 -6.493 -20.749 -11.988 1.00 0.00 C ATOM 942 C GLN A 58 -7.460 -21.052 -13.128 1.00 0.00 C ATOM 943 O GLN A 58 -7.620 -22.203 -13.529 1.00 0.00 O ATOM 944 CB GLN A 58 -5.140 -20.313 -12.553 1.00 0.00 C ATOM 945 CG GLN A 58 -4.377 -21.435 -13.240 1.00 0.00 C ATOM 946 CD GLN A 58 -3.476 -22.195 -12.288 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.631 -23.402 -12.098 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.526 -21.492 -11.682 1.00 0.00 N ATOM 0 HA GLN A 58 -6.908 -19.937 -11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.297 -19.503 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.530 -19.912 -11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.086 -22.127 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.776 -21.019 -14.049 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.433 -20.494 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.889 -21.951 -11.030 1.00 0.00 H new ATOM 957 N GLY A 59 -8.102 -20.009 -13.646 1.00 0.00 N ATOM 958 CA GLY A 59 -9.046 -20.185 -14.734 1.00 0.00 C ATOM 959 C GLY A 59 -9.487 -18.866 -15.338 1.00 0.00 C ATOM 960 O GLY A 59 -9.579 -17.856 -14.641 1.00 0.00 O ATOM 0 H GLY A 59 -7.985 -19.046 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.591 -20.802 -15.509 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.920 -20.724 -14.369 1.00 0.00 H new ATOM 964 N PHE A 60 -9.759 -18.874 -16.639 1.00 0.00 N ATOM 965 CA PHE A 60 -10.190 -17.669 -17.337 1.00 0.00 C ATOM 966 C PHE A 60 -11.692 -17.458 -17.180 1.00 0.00 C ATOM 967 O PHE A 60 -12.451 -18.413 -17.014 1.00 0.00 O ATOM 968 CB PHE A 60 -9.828 -17.757 -18.821 1.00 0.00 C ATOM 969 CG PHE A 60 -8.694 -16.854 -19.217 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.759 -15.492 -18.972 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.565 -17.368 -19.834 1.00 0.00 C ATOM 972 CE1 PHE A 60 -7.717 -14.659 -19.334 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.521 -16.539 -20.198 1.00 0.00 C ATOM 974 CZ PHE A 60 -6.597 -15.183 -19.949 1.00 0.00 C ATOM 0 H PHE A 60 -9.688 -19.702 -17.231 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.673 -16.818 -16.894 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.563 -18.787 -19.062 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.706 -17.507 -19.416 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.633 -15.077 -18.493 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.500 -18.428 -20.033 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.779 -13.599 -19.136 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.646 -16.952 -20.677 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.783 -14.534 -20.234 1.00 0.00 H new ATOM 984 N VAL A 61 -12.116 -16.199 -17.234 1.00 0.00 N ATOM 985 CA VAL A 61 -13.527 -15.860 -17.099 1.00 0.00 C ATOM 986 C VAL A 61 -13.839 -14.526 -17.768 1.00 0.00 C ATOM 987 O VAL A 61 -12.965 -13.681 -17.962 1.00 0.00 O ATOM 988 CB VAL A 61 -13.948 -15.790 -15.619 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.208 -17.186 -15.072 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.887 -15.075 -14.797 1.00 0.00 C ATOM 0 H VAL A 61 -11.501 -15.397 -17.370 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.091 -16.651 -17.593 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.874 -15.220 -15.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.504 -17.117 -14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.006 -17.658 -15.645 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.300 -17.784 -15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.201 -15.035 -13.754 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.943 -15.616 -14.871 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.755 -14.061 -15.176 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.116 -14.330 -18.130 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.573 -13.100 -18.783 1.00 0.00 C ATOM 1002 C PRO A 62 -15.555 -11.902 -17.839 1.00 0.00 C ATOM 1003 O PRO A 62 -16.199 -11.915 -16.791 1.00 0.00 O ATOM 1004 CB PRO A 62 -17.009 -13.431 -19.198 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.443 -14.492 -18.247 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.211 -15.294 -17.931 1.00 0.00 C ATOM 0 HA PRO A 62 -14.929 -12.817 -19.615 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.652 -12.553 -19.133 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.052 -13.782 -20.229 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.867 -14.056 -17.343 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.215 -15.121 -18.690 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.230 -15.675 -16.910 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.112 -16.156 -18.591 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.812 -10.867 -18.219 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.712 -9.660 -17.407 1.00 0.00 C ATOM 1016 C ALA A 63 -16.074 -8.994 -17.244 1.00 0.00 C ATOM 1017 O ALA A 63 -16.267 -8.166 -16.354 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.718 -8.689 -18.026 1.00 0.00 C ATOM 0 H ALA A 63 -14.271 -10.840 -19.083 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.356 -9.946 -16.417 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.653 -7.792 -17.410 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.737 -9.161 -18.085 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.051 -8.417 -19.028 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.014 -9.360 -18.108 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.358 -8.799 -18.058 1.00 0.00 C ATOM 1026 C ALA A 64 -19.168 -9.413 -16.921 1.00 0.00 C ATOM 1027 O ALA A 64 -20.286 -8.983 -16.640 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.068 -9.009 -19.388 1.00 0.00 C ATOM 0 H ALA A 64 -16.870 -10.043 -18.852 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.271 -7.729 -17.870 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.071 -8.585 -19.336 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.506 -8.517 -20.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.136 -10.076 -19.600 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.596 -10.421 -16.272 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.267 -11.097 -15.167 1.00 0.00 C ATOM 1036 C TYR A 65 -18.460 -10.967 -13.879 1.00 0.00 C ATOM 1037 O TYR A 65 -18.590 -11.783 -12.966 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.482 -12.574 -15.501 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.489 -12.805 -16.605 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.231 -12.388 -17.905 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.699 -13.439 -16.348 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.149 -12.596 -18.917 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.621 -13.652 -17.354 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.342 -13.229 -18.636 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.259 -13.439 -19.641 1.00 0.00 O ATOM 0 H TYR A 65 -17.670 -10.788 -16.491 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.236 -10.621 -15.017 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.528 -13.014 -15.792 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.813 -13.096 -14.603 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.297 -11.893 -18.128 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.922 -13.771 -15.345 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.934 -12.265 -19.922 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.556 -14.147 -17.137 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.045 -13.898 -19.276 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.625 -9.934 -13.813 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.797 -9.695 -12.637 1.00 0.00 C ATOM 1057 C VAL A 66 -16.551 -8.204 -12.432 1.00 0.00 C ATOM 1058 O VAL A 66 -16.683 -7.408 -13.362 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.442 -10.418 -12.748 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.648 -11.905 -12.992 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.598 -9.800 -13.852 1.00 0.00 C ATOM 0 H VAL A 66 -17.504 -9.250 -14.560 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.342 -10.091 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.909 -10.300 -11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.679 -12.399 -13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.211 -12.335 -12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.202 -12.048 -13.920 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.644 -10.323 -13.917 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.124 -9.885 -14.803 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.421 -8.748 -13.629 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.191 -7.832 -11.209 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.923 -6.437 -10.881 1.00 0.00 C ATOM 1073 C LYS A 67 -14.888 -6.329 -9.766 1.00 0.00 C ATOM 1074 O LYS A 67 -15.120 -6.778 -8.643 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.216 -5.734 -10.460 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.042 -4.247 -10.200 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.077 -3.447 -11.491 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.504 -3.121 -11.906 1.00 0.00 C ATOM 1079 NZ LYS A 67 -19.090 -2.037 -11.070 1.00 0.00 N ATOM 0 H LYS A 67 -16.078 -8.478 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.524 -5.951 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.966 -5.873 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.601 -6.210 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.831 -3.899 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.094 -4.074 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.514 -2.523 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.586 -4.012 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.518 -2.820 -12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.120 -4.017 -11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.974 -1.703 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.288 -2.403 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.417 -1.247 -11.005 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.745 -5.730 -10.082 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.674 -5.560 -9.108 1.00 0.00 C ATOM 1095 C LYS A 68 -13.197 -4.907 -7.832 1.00 0.00 C ATOM 1096 O LYS A 68 -13.993 -3.968 -7.885 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.546 -4.713 -9.701 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.250 -4.786 -8.911 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.080 -4.234 -9.708 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.075 -2.713 -9.710 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.667 -2.158 -8.390 1.00 0.00 N ATOM 0 H LYS A 68 -13.537 -5.354 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.286 -6.547 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.357 -5.039 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.872 -3.674 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.356 -4.225 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.048 -5.821 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.145 -4.601 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.132 -4.600 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.394 -2.353 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.069 -2.347 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.022 -1.355 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.510 -1.836 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.183 -2.895 -7.838 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.746 -5.409 -6.688 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.168 -4.873 -5.398 1.00 0.00 C ATOM 1117 C LEU A 69 -12.126 -3.907 -4.843 1.00 0.00 C ATOM 1118 O LEU A 69 -12.437 -2.761 -4.520 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.406 -6.011 -4.405 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.507 -7.006 -4.775 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.280 -8.338 -4.076 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.876 -6.443 -4.422 1.00 0.00 C ATOM 0 H LEU A 69 -12.088 -6.186 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.100 -4.327 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.473 -6.561 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.648 -5.576 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.472 -7.173 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.073 -9.033 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.317 -8.748 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.287 -8.188 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.647 -7.165 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.923 -6.246 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.040 -5.515 -4.969 1.00 0.00 H new ATOM 1134 N ASP A 70 -10.888 -4.378 -4.736 1.00 0.00 N ATOM 1135 CA ASP A 70 -9.799 -3.555 -4.223 1.00 0.00 C ATOM 1136 C ASP A 70 -9.200 -2.694 -5.331 1.00 0.00 C ATOM 1137 O ASP A 70 -8.117 -2.129 -5.174 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.714 -4.437 -3.603 1.00 0.00 C ATOM 1139 CG ASP A 70 -7.680 -3.632 -2.840 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -7.957 -3.254 -1.683 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -6.593 -3.381 -3.401 1.00 0.00 O ATOM 0 H ASP A 70 -10.614 -5.325 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.205 -2.896 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.177 -5.159 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.219 -5.006 -4.390 1.00 0.00 H new