USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 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 62 CYS SG : rot -115:sc= 0.808 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -38:sc= 1.2 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.551 K(o=0.55,f=-1.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 31 GLN : amide:sc= -0.365 K(o=-0.36,f=-6.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -82:sc= 1.03 USER MOD Single : A 44 SER OG : rot 180:sc= 0.106 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -70:sc= 1.09 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 0.00647 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 67 GLN : amide:sc= 1.09 K(o=1.1,f=-7.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 72 SER OG : rot 77:sc= 0.966 USER MOD Single : A 74 MET CE :methyl 173:sc= -1.06 (180deg=-1.14) USER MOD Single : A 76 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= -0.034 K(o=-0.034,f=-3.9!) USER MOD Single : A 83 SER OG : rot -122:sc= 1.27 USER MOD Single : A 91 ASN : amide:sc= 0.479 K(o=0.48,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 9 11.442 4.251 -9.038 1.00 0.00 N ATOM 121 CA PRO A 9 10.572 5.340 -9.462 1.00 0.00 C ATOM 122 C PRO A 9 9.300 4.808 -10.111 1.00 0.00 C ATOM 123 O PRO A 9 8.222 5.379 -9.946 1.00 0.00 O ATOM 124 CB PRO A 9 11.441 6.105 -10.465 1.00 0.00 C ATOM 125 CG PRO A 9 12.836 5.869 -9.995 1.00 0.00 C ATOM 126 CD PRO A 9 12.837 4.437 -9.530 1.00 0.00 C ATOM 0 HA PRO A 9 10.228 5.964 -8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.295 5.737 -11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.198 7.168 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.557 6.027 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.103 6.550 -9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.076 3.748 -10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.570 4.268 -8.742 1.00 0.00 H new ATOM 134 N ALA A 10 9.434 3.712 -10.851 1.00 0.00 N ATOM 135 CA ALA A 10 8.305 3.128 -11.565 1.00 0.00 C ATOM 136 C ALA A 10 7.241 2.626 -10.597 1.00 0.00 C ATOM 137 O ALA A 10 6.047 2.836 -10.809 1.00 0.00 O ATOM 138 CB ALA A 10 8.776 1.997 -12.466 1.00 0.00 C ATOM 0 H ALA A 10 10.314 3.210 -10.972 1.00 0.00 H new ATOM 0 HA ALA A 10 7.858 3.907 -12.182 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.922 1.571 -12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.493 2.383 -13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.252 1.225 -11.862 1.00 0.00 H new ATOM 144 N VAL A 11 7.682 1.961 -9.535 1.00 0.00 N ATOM 145 CA VAL A 11 6.769 1.444 -8.522 1.00 0.00 C ATOM 146 C VAL A 11 6.120 2.576 -7.736 1.00 0.00 C ATOM 147 O VAL A 11 4.906 2.588 -7.533 1.00 0.00 O ATOM 148 CB VAL A 11 7.520 0.514 -7.550 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.621 0.118 -6.389 1.00 0.00 C ATOM 150 CG2 VAL A 11 8.016 -0.718 -8.292 1.00 0.00 C ATOM 0 H VAL A 11 8.667 1.767 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 11 5.988 0.883 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 11 8.380 1.047 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.168 -0.539 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.307 1.012 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.743 -0.404 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.546 -1.371 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.167 -1.253 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.691 -0.414 -9.092 1.00 0.00 H new ATOM 160 N ASP A 12 6.937 3.528 -7.296 1.00 0.00 N ATOM 161 CA ASP A 12 6.441 4.675 -6.544 1.00 0.00 C ATOM 162 C ASP A 12 5.395 5.445 -7.339 1.00 0.00 C ATOM 163 O ASP A 12 4.369 5.856 -6.798 1.00 0.00 O ATOM 164 CB ASP A 12 7.595 5.608 -6.168 1.00 0.00 C ATOM 165 CG ASP A 12 7.159 6.754 -5.265 1.00 0.00 C ATOM 166 OD1 ASP A 12 6.834 6.500 -4.129 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.155 7.874 -5.719 1.00 0.00 O ATOM 0 H ASP A 12 7.946 3.528 -7.447 1.00 0.00 H new ATOM 0 HA ASP A 12 5.974 4.298 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.373 5.032 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.037 6.016 -7.077 1.00 0.00 H new ATOM 172 N ARG A 13 5.662 5.637 -8.627 1.00 0.00 N ATOM 173 CA ARG A 13 4.724 6.320 -9.510 1.00 0.00 C ATOM 174 C ARG A 13 3.388 5.590 -9.564 1.00 0.00 C ATOM 175 O ARG A 13 2.327 6.209 -9.475 1.00 0.00 O ATOM 176 CB ARG A 13 5.295 6.430 -10.916 1.00 0.00 C ATOM 177 CG ARG A 13 4.454 7.245 -11.885 1.00 0.00 C ATOM 178 CD ARG A 13 5.040 7.249 -13.251 1.00 0.00 C ATOM 179 NE ARG A 13 6.367 7.842 -13.270 1.00 0.00 N ATOM 180 CZ ARG A 13 6.613 9.167 -13.298 1.00 0.00 C ATOM 181 NH1 ARG A 13 5.614 10.021 -13.310 1.00 0.00 N ATOM 182 NH2 ARG A 13 7.859 9.607 -13.314 1.00 0.00 N ATOM 0 H ARG A 13 6.521 5.329 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 13 4.562 7.319 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.288 6.875 -10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.420 5.426 -11.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.444 6.837 -11.923 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.370 8.269 -11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.094 6.227 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.386 7.802 -13.925 1.00 0.00 H new ATOM 0 HE ARG A 13 7.168 7.211 -13.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.652 9.681 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.800 11.024 -13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.634 8.944 -13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.046 10.610 -13.335 1.00 0.00 H new ATOM 196 N SER A 14 3.445 4.271 -9.710 1.00 0.00 N ATOM 197 CA SER A 14 2.240 3.461 -9.842 1.00 0.00 C ATOM 198 C SER A 14 1.433 3.460 -8.549 1.00 0.00 C ATOM 199 O SER A 14 0.213 3.298 -8.568 1.00 0.00 O ATOM 200 CB SER A 14 2.605 2.040 -10.222 1.00 0.00 C ATOM 201 OG SER A 14 3.228 1.379 -9.155 1.00 0.00 O ATOM 0 H SER A 14 4.315 3.739 -9.740 1.00 0.00 H new ATOM 0 HA SER A 14 1.625 3.898 -10.629 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.707 1.497 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.269 2.050 -11.086 1.00 0.00 H new ATOM 0 HG SER A 14 3.812 2.005 -8.678 1.00 0.00 H new ATOM 207 N LEU A 15 2.121 3.642 -7.428 1.00 0.00 N ATOM 208 CA LEU A 15 1.463 3.724 -6.129 1.00 0.00 C ATOM 209 C LEU A 15 0.771 5.068 -5.946 1.00 0.00 C ATOM 210 O LEU A 15 -0.330 5.141 -5.401 1.00 0.00 O ATOM 211 CB LEU A 15 2.483 3.509 -5.004 1.00 0.00 C ATOM 212 CG LEU A 15 3.063 2.093 -4.892 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.150 2.072 -3.827 1.00 0.00 C ATOM 214 CD2 LEU A 15 1.948 1.113 -4.556 1.00 0.00 C ATOM 0 H LEU A 15 3.136 3.736 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 15 0.707 2.940 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.307 4.209 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.009 3.764 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 15 3.507 1.796 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.562 1.066 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.942 2.768 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.725 2.367 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.360 0.107 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.490 1.394 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.194 1.135 -5.343 1.00 0.00 H new ATOM 226 N ARG A 16 1.423 6.131 -6.405 1.00 0.00 N ATOM 227 CA ARG A 16 0.848 7.469 -6.341 1.00 0.00 C ATOM 228 C ARG A 16 -0.138 7.700 -7.480 1.00 0.00 C ATOM 229 O ARG A 16 -0.945 8.628 -7.436 1.00 0.00 O ATOM 230 CB ARG A 16 1.941 8.525 -6.400 1.00 0.00 C ATOM 231 CG ARG A 16 2.778 8.651 -5.136 1.00 0.00 C ATOM 232 CD ARG A 16 3.751 9.769 -5.230 1.00 0.00 C ATOM 233 NE ARG A 16 4.877 9.436 -6.087 1.00 0.00 N ATOM 234 CZ ARG A 16 5.045 9.896 -7.343 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.153 10.704 -7.871 1.00 0.00 N ATOM 236 NH2 ARG A 16 6.106 9.534 -8.043 1.00 0.00 N ATOM 0 H ARG A 16 2.351 6.091 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 16 0.316 7.551 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.603 8.296 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.482 9.491 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.122 8.810 -4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.312 7.718 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.249 10.656 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.115 10.019 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 16 5.590 8.810 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.334 10.983 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.280 11.052 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.798 8.907 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.233 9.882 -8.993 1.00 0.00 H new ATOM 250 N SER A 17 -0.067 6.850 -8.498 1.00 0.00 N ATOM 251 CA SER A 17 -1.052 6.858 -9.573 1.00 0.00 C ATOM 252 C SER A 17 -2.394 6.319 -9.095 1.00 0.00 C ATOM 253 O SER A 17 -2.464 5.246 -8.495 1.00 0.00 O ATOM 254 CB SER A 17 -0.553 6.034 -10.744 1.00 0.00 C ATOM 255 OG SER A 17 -1.520 5.964 -11.756 1.00 0.00 O ATOM 0 H SER A 17 0.663 6.146 -8.601 1.00 0.00 H new ATOM 0 HA SER A 17 -1.193 7.891 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.362 6.475 -11.140 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.302 5.029 -10.405 1.00 0.00 H new ATOM 0 HG SER A 17 -1.175 5.429 -12.501 1.00 0.00 H new ATOM 261 N VAL A 18 -3.457 7.068 -9.365 1.00 0.00 N ATOM 262 CA VAL A 18 -4.792 6.696 -8.912 1.00 0.00 C ATOM 263 C VAL A 18 -5.715 6.414 -10.090 1.00 0.00 C ATOM 264 O VAL A 18 -5.809 7.211 -11.023 1.00 0.00 O ATOM 265 CB VAL A 18 -5.395 7.820 -8.048 1.00 0.00 C ATOM 266 CG1 VAL A 18 -6.800 7.449 -7.598 1.00 0.00 C ATOM 267 CG2 VAL A 18 -4.498 8.090 -6.850 1.00 0.00 C ATOM 0 H VAL A 18 -3.420 7.938 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.699 5.787 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.461 8.729 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.211 8.254 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.433 7.295 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.764 6.532 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.931 8.886 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.409 7.184 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.510 8.394 -7.196 1.00 0.00 H new ATOM 277 N PHE A 19 -6.396 5.274 -10.042 1.00 0.00 N ATOM 278 CA PHE A 19 -7.330 4.894 -11.095 1.00 0.00 C ATOM 279 C PHE A 19 -8.733 5.407 -10.798 1.00 0.00 C ATOM 280 O PHE A 19 -9.333 5.052 -9.783 1.00 0.00 O ATOM 281 CB PHE A 19 -7.362 3.373 -11.258 1.00 0.00 C ATOM 282 CG PHE A 19 -8.247 2.902 -12.377 1.00 0.00 C ATOM 283 CD1 PHE A 19 -7.956 3.227 -13.693 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.372 2.135 -12.115 1.00 0.00 C ATOM 285 CE1 PHE A 19 -8.769 2.794 -14.724 1.00 0.00 C ATOM 286 CE2 PHE A 19 -10.185 1.700 -13.143 1.00 0.00 C ATOM 287 CZ PHE A 19 -9.883 2.030 -14.449 1.00 0.00 C ATOM 0 H PHE A 19 -6.318 4.596 -9.284 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.985 5.348 -12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.348 3.014 -11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.702 2.924 -10.325 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.085 3.825 -13.915 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.615 1.875 -11.095 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.531 3.054 -15.745 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.057 1.102 -12.925 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.518 1.690 -15.254 1.00 0.00 H new ATOM 297 N VAL A 20 -9.252 6.245 -11.689 1.00 0.00 N ATOM 298 CA VAL A 20 -10.572 6.837 -11.507 1.00 0.00 C ATOM 299 C VAL A 20 -11.542 6.360 -12.581 1.00 0.00 C ATOM 300 O VAL A 20 -11.328 6.591 -13.771 1.00 0.00 O ATOM 301 CB VAL A 20 -10.480 8.373 -11.548 1.00 0.00 C ATOM 302 CG1 VAL A 20 -11.860 8.994 -11.391 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.539 8.865 -10.459 1.00 0.00 C ATOM 0 H VAL A 20 -8.778 6.530 -12.546 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.946 6.520 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.082 8.678 -12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.776 10.080 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.505 8.656 -12.202 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.289 8.691 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.479 9.953 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.916 8.554 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.547 8.442 -10.617 1.00 0.00 H new ATOM 313 N GLY A 21 -12.608 5.693 -12.154 1.00 0.00 N ATOM 314 CA GLY A 21 -13.632 5.214 -13.075 1.00 0.00 C ATOM 315 C GLY A 21 -14.960 5.920 -12.838 1.00 0.00 C ATOM 316 O GLY A 21 -15.056 6.821 -12.005 1.00 0.00 O ATOM 0 H GLY A 21 -12.786 5.471 -11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.307 5.380 -14.102 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.762 4.139 -12.951 1.00 0.00 H new ATOM 320 N ASN A 22 -15.985 5.506 -13.577 1.00 0.00 N ATOM 321 CA ASN A 22 -17.305 6.115 -13.465 1.00 0.00 C ATOM 322 C ASN A 22 -17.248 7.610 -13.749 1.00 0.00 C ATOM 323 O ASN A 22 -17.872 8.408 -13.049 1.00 0.00 O ATOM 324 CB ASN A 22 -17.899 5.853 -12.093 1.00 0.00 C ATOM 325 CG ASN A 22 -18.154 4.393 -11.842 1.00 0.00 C ATOM 326 OD1 ASN A 22 -17.906 3.549 -12.711 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.647 4.079 -10.671 1.00 0.00 N ATOM 0 H ASN A 22 -15.926 4.751 -14.260 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.950 5.657 -14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.222 6.236 -11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.835 6.403 -11.995 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.842 3.104 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.836 4.810 -9.985 1.00 0.00 H new ATOM 334 N ILE A 23 -16.497 7.984 -14.779 1.00 0.00 N ATOM 335 CA ILE A 23 -16.410 9.377 -15.198 1.00 0.00 C ATOM 336 C ILE A 23 -17.438 9.693 -16.278 1.00 0.00 C ATOM 337 O ILE A 23 -17.464 9.052 -17.329 1.00 0.00 O ATOM 338 CB ILE A 23 -14.999 9.707 -15.719 1.00 0.00 C ATOM 339 CG1 ILE A 23 -13.959 9.488 -14.618 1.00 0.00 C ATOM 340 CG2 ILE A 23 -14.943 11.138 -16.232 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.529 9.574 -15.103 1.00 0.00 C ATOM 0 H ILE A 23 -15.939 7.340 -15.340 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.620 9.992 -14.323 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.769 9.037 -16.547 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.112 10.230 -13.834 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.122 8.509 -14.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.939 11.355 -16.596 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.659 11.261 -17.045 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.191 11.825 -15.423 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.850 9.408 -14.266 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.357 8.814 -15.866 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.347 10.562 -15.527 1.00 0.00 H new ATOM 353 N PRO A 24 -18.283 10.683 -16.012 1.00 0.00 N ATOM 354 CA PRO A 24 -19.310 11.090 -16.963 1.00 0.00 C ATOM 355 C PRO A 24 -18.700 11.445 -18.313 1.00 0.00 C ATOM 356 O PRO A 24 -17.630 12.050 -18.382 1.00 0.00 O ATOM 357 CB PRO A 24 -19.940 12.312 -16.289 1.00 0.00 C ATOM 358 CG PRO A 24 -19.727 12.076 -14.832 1.00 0.00 C ATOM 359 CD PRO A 24 -18.363 11.445 -14.750 1.00 0.00 C ATOM 0 HA PRO A 24 -20.034 10.305 -17.179 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.465 13.237 -16.616 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.000 12.396 -16.528 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.768 13.008 -14.268 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.494 11.420 -14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.574 12.194 -14.678 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.268 10.797 -13.879 1.00 0.00 H new ATOM 367 N TYR A 25 -19.388 11.067 -19.386 1.00 0.00 N ATOM 368 CA TYR A 25 -18.897 11.311 -20.736 1.00 0.00 C ATOM 369 C TYR A 25 -18.947 12.794 -21.081 1.00 0.00 C ATOM 370 O TYR A 25 -18.181 13.274 -21.917 1.00 0.00 O ATOM 371 CB TYR A 25 -19.705 10.503 -21.754 1.00 0.00 C ATOM 372 CG TYR A 25 -19.515 9.007 -21.634 1.00 0.00 C ATOM 373 CD1 TYR A 25 -18.534 8.497 -20.797 1.00 0.00 C ATOM 374 CD2 TYR A 25 -20.322 8.145 -22.362 1.00 0.00 C ATOM 375 CE1 TYR A 25 -18.360 7.131 -20.687 1.00 0.00 C ATOM 376 CE2 TYR A 25 -20.149 6.779 -22.252 1.00 0.00 C ATOM 377 CZ TYR A 25 -19.173 6.272 -21.419 1.00 0.00 C ATOM 378 OH TYR A 25 -19.001 4.911 -21.310 1.00 0.00 O ATOM 0 H TYR A 25 -20.289 10.590 -19.345 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.857 10.989 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.763 10.737 -21.632 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.423 10.816 -22.759 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.906 9.168 -20.231 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.085 8.542 -23.015 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.596 6.732 -20.036 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.778 6.108 -22.818 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.649 4.452 -21.885 1.00 0.00 H new ATOM 388 N GLU A 26 -19.853 13.517 -20.431 1.00 0.00 N ATOM 389 CA GLU A 26 -19.975 14.956 -20.634 1.00 0.00 C ATOM 390 C GLU A 26 -18.932 15.717 -19.827 1.00 0.00 C ATOM 391 O GLU A 26 -18.767 16.926 -19.990 1.00 0.00 O ATOM 392 CB GLU A 26 -21.378 15.432 -20.251 1.00 0.00 C ATOM 393 CG GLU A 26 -21.703 15.300 -18.770 1.00 0.00 C ATOM 394 CD GLU A 26 -22.237 13.943 -18.406 1.00 0.00 C ATOM 395 OE1 GLU A 26 -22.038 13.025 -19.164 1.00 0.00 O ATOM 396 OE2 GLU A 26 -22.846 13.825 -17.368 1.00 0.00 O ATOM 0 H GLU A 26 -20.514 13.129 -19.758 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.805 15.158 -21.691 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.487 16.477 -20.543 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.111 14.863 -20.824 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.804 15.499 -18.187 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.436 16.059 -18.495 1.00 0.00 H new ATOM 403 N ALA A 27 -18.228 15.002 -18.955 1.00 0.00 N ATOM 404 CA ALA A 27 -17.208 15.612 -18.110 1.00 0.00 C ATOM 405 C ALA A 27 -15.920 15.851 -18.887 1.00 0.00 C ATOM 406 O ALA A 27 -15.546 15.054 -19.748 1.00 0.00 O ATOM 407 CB ALA A 27 -16.938 14.739 -16.893 1.00 0.00 C ATOM 0 H ALA A 27 -18.346 13.998 -18.815 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.583 16.579 -17.774 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.175 15.207 -16.272 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.856 14.625 -16.316 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.590 13.759 -17.218 1.00 0.00 H new ATOM 413 N THR A 28 -15.245 16.953 -18.579 1.00 0.00 N ATOM 414 CA THR A 28 -13.985 17.287 -19.231 1.00 0.00 C ATOM 415 C THR A 28 -12.809 17.117 -18.278 1.00 0.00 C ATOM 416 O THR A 28 -12.993 16.981 -17.068 1.00 0.00 O ATOM 417 CB THR A 28 -14.007 18.728 -19.774 1.00 0.00 C ATOM 418 OG1 THR A 28 -14.048 19.653 -18.679 1.00 0.00 O ATOM 419 CG2 THR A 28 -15.222 18.945 -20.662 1.00 0.00 C ATOM 0 H THR A 28 -15.550 17.631 -17.881 1.00 0.00 H new ATOM 0 HA THR A 28 -13.861 16.597 -20.066 1.00 0.00 H new ATOM 0 HB THR A 28 -13.105 18.892 -20.364 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.060 20.570 -19.025 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.221 19.969 -21.036 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.187 18.251 -21.502 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.130 18.771 -20.085 1.00 0.00 H new ATOM 427 N GLU A 29 -11.600 17.127 -18.830 1.00 0.00 N ATOM 428 CA GLU A 29 -10.389 17.049 -18.022 1.00 0.00 C ATOM 429 C GLU A 29 -10.201 18.309 -17.187 1.00 0.00 C ATOM 430 O GLU A 29 -9.627 18.264 -16.099 1.00 0.00 O ATOM 431 CB GLU A 29 -9.165 16.831 -18.916 1.00 0.00 C ATOM 432 CG GLU A 29 -9.055 15.430 -19.500 1.00 0.00 C ATOM 433 CD GLU A 29 -7.806 15.231 -20.313 1.00 0.00 C ATOM 434 OE1 GLU A 29 -7.338 16.183 -20.890 1.00 0.00 O ATOM 435 OE2 GLU A 29 -7.319 14.126 -20.357 1.00 0.00 O ATOM 0 H GLU A 29 -11.433 17.188 -19.834 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.495 16.201 -17.345 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.195 17.551 -19.734 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.266 17.042 -18.338 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.075 14.701 -18.689 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.925 15.234 -20.126 1.00 0.00 H new ATOM 442 N GLU A 30 -10.690 19.432 -17.702 1.00 0.00 N ATOM 443 CA GLU A 30 -10.665 20.688 -16.962 1.00 0.00 C ATOM 444 C GLU A 30 -11.484 20.589 -15.682 1.00 0.00 C ATOM 445 O GLU A 30 -11.083 21.100 -14.636 1.00 0.00 O ATOM 446 CB GLU A 30 -11.195 21.830 -17.832 1.00 0.00 C ATOM 447 CG GLU A 30 -10.282 22.218 -18.986 1.00 0.00 C ATOM 448 CD GLU A 30 -10.866 23.294 -19.858 1.00 0.00 C ATOM 449 OE1 GLU A 30 -12.009 23.634 -19.665 1.00 0.00 O ATOM 450 OE2 GLU A 30 -10.168 23.778 -20.718 1.00 0.00 O ATOM 0 H GLU A 30 -11.109 19.498 -18.630 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.630 20.895 -16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.167 21.543 -18.234 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.356 22.705 -17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.326 22.559 -18.588 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.078 21.336 -19.593 1.00 0.00 H new ATOM 457 N GLN A 31 -12.634 19.930 -15.770 1.00 0.00 N ATOM 458 CA GLN A 31 -13.460 19.667 -14.597 1.00 0.00 C ATOM 459 C GLN A 31 -12.789 18.666 -13.666 1.00 0.00 C ATOM 460 O GLN A 31 -12.826 18.818 -12.445 1.00 0.00 O ATOM 461 CB GLN A 31 -14.838 19.150 -15.017 1.00 0.00 C ATOM 462 CG GLN A 31 -15.716 20.191 -15.689 1.00 0.00 C ATOM 463 CD GLN A 31 -17.019 19.607 -16.200 1.00 0.00 C ATOM 464 OE1 GLN A 31 -17.027 18.594 -16.906 1.00 0.00 O ATOM 465 NE2 GLN A 31 -18.131 20.242 -15.848 1.00 0.00 N ATOM 0 H GLN A 31 -13.016 19.567 -16.643 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.583 20.607 -14.058 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.706 18.309 -15.697 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.355 18.769 -14.136 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.933 20.991 -14.981 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.172 20.640 -16.520 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.079 21.076 -15.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.037 19.896 -16.163 1.00 0.00 H new ATOM 474 N LEU A 32 -12.177 17.641 -14.249 1.00 0.00 N ATOM 475 CA LEU A 32 -11.448 16.643 -13.475 1.00 0.00 C ATOM 476 C LEU A 32 -10.266 17.268 -12.745 1.00 0.00 C ATOM 477 O LEU A 32 -9.929 16.866 -11.631 1.00 0.00 O ATOM 478 CB LEU A 32 -10.953 15.518 -14.393 1.00 0.00 C ATOM 479 CG LEU A 32 -12.041 14.604 -14.970 1.00 0.00 C ATOM 480 CD1 LEU A 32 -11.419 13.645 -15.975 1.00 0.00 C ATOM 481 CD2 LEU A 32 -12.721 13.846 -13.839 1.00 0.00 C ATOM 0 H LEU A 32 -12.171 17.479 -15.256 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.132 16.230 -12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.403 15.965 -15.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.246 14.904 -13.836 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.794 15.201 -15.485 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.192 12.995 -16.385 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.957 14.213 -16.782 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.662 13.038 -15.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.494 13.197 -14.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.983 13.242 -13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.173 14.555 -13.146 1.00 0.00 H new ATOM 493 N LYS A 33 -9.639 18.253 -13.378 1.00 0.00 N ATOM 494 CA LYS A 33 -8.550 18.995 -12.755 1.00 0.00 C ATOM 495 C LYS A 33 -8.982 19.591 -11.422 1.00 0.00 C ATOM 496 O LYS A 33 -8.305 19.424 -10.407 1.00 0.00 O ATOM 497 CB LYS A 33 -8.050 20.099 -13.688 1.00 0.00 C ATOM 498 CG LYS A 33 -6.866 20.890 -13.148 1.00 0.00 C ATOM 499 CD LYS A 33 -6.397 21.935 -14.150 1.00 0.00 C ATOM 500 CE LYS A 33 -5.241 22.755 -13.596 1.00 0.00 C ATOM 501 NZ LYS A 33 -4.771 23.781 -14.566 1.00 0.00 N ATOM 0 H LYS A 33 -9.867 18.557 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.735 18.296 -12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.768 19.652 -14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.871 20.788 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.147 21.378 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.046 20.210 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.088 21.444 -15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.226 22.596 -14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.553 23.244 -12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.415 22.091 -13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.983 24.317 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.449 23.313 -15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.552 24.430 -14.790 1.00 0.00 H new ATOM 515 N ASP A 34 -10.113 20.288 -11.430 1.00 0.00 N ATOM 516 CA ASP A 34 -10.679 20.845 -10.207 1.00 0.00 C ATOM 517 C ASP A 34 -11.014 19.746 -9.206 1.00 0.00 C ATOM 518 O ASP A 34 -10.732 19.872 -8.014 1.00 0.00 O ATOM 519 CB ASP A 34 -11.937 21.659 -10.520 1.00 0.00 C ATOM 520 CG ASP A 34 -11.630 22.980 -11.213 1.00 0.00 C ATOM 521 OD1 ASP A 34 -10.495 23.394 -11.184 1.00 0.00 O ATOM 522 OD2 ASP A 34 -12.533 23.563 -11.764 1.00 0.00 O ATOM 0 H ASP A 34 -10.657 20.481 -12.271 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.929 21.501 -9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.598 21.067 -11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.476 21.857 -9.593 1.00 0.00 H new ATOM 527 N ILE A 35 -11.619 18.670 -9.697 1.00 0.00 N ATOM 528 CA ILE A 35 -12.018 17.559 -8.842 1.00 0.00 C ATOM 529 C ILE A 35 -10.812 16.927 -8.160 1.00 0.00 C ATOM 530 O ILE A 35 -10.847 16.628 -6.966 1.00 0.00 O ATOM 531 CB ILE A 35 -12.771 16.486 -9.650 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.134 17.018 -10.103 1.00 0.00 C ATOM 533 CG2 ILE A 35 -12.938 15.218 -8.827 1.00 0.00 C ATOM 534 CD1 ILE A 35 -14.812 16.153 -11.140 1.00 0.00 C ATOM 0 H ILE A 35 -11.844 18.544 -10.684 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.682 17.962 -8.078 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.184 16.244 -10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.786 17.106 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.005 18.022 -10.508 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.472 14.471 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.957 14.830 -8.553 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.505 15.443 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.771 16.594 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.181 16.085 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.974 15.155 -10.732 1.00 0.00 H new ATOM 546 N PHE A 36 -9.744 16.727 -8.924 1.00 0.00 N ATOM 547 CA PHE A 36 -8.581 15.993 -8.439 1.00 0.00 C ATOM 548 C PHE A 36 -7.722 16.862 -7.529 1.00 0.00 C ATOM 549 O PHE A 36 -7.271 16.416 -6.474 1.00 0.00 O ATOM 550 CB PHE A 36 -7.739 15.489 -9.613 1.00 0.00 C ATOM 551 CG PHE A 36 -8.418 14.428 -10.433 1.00 0.00 C ATOM 552 CD1 PHE A 36 -9.483 13.707 -9.915 1.00 0.00 C ATOM 553 CD2 PHE A 36 -7.991 14.149 -11.722 1.00 0.00 C ATOM 554 CE1 PHE A 36 -10.107 12.731 -10.668 1.00 0.00 C ATOM 555 CE2 PHE A 36 -8.614 13.175 -12.478 1.00 0.00 C ATOM 556 CZ PHE A 36 -9.674 12.465 -11.950 1.00 0.00 C ATOM 0 H PHE A 36 -9.659 17.063 -9.883 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.943 15.141 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.491 16.331 -10.259 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.798 15.093 -9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.828 13.910 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.161 14.700 -12.140 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.935 12.176 -10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.272 12.969 -13.482 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.163 11.703 -12.539 1.00 0.00 H new ATOM 566 N SER A 37 -7.499 18.105 -7.943 1.00 0.00 N ATOM 567 CA SER A 37 -6.682 19.034 -7.172 1.00 0.00 C ATOM 568 C SER A 37 -7.369 19.420 -5.868 1.00 0.00 C ATOM 569 O SER A 37 -6.710 19.756 -4.884 1.00 0.00 O ATOM 570 CB SER A 37 -6.394 20.278 -7.990 1.00 0.00 C ATOM 571 OG SER A 37 -7.572 20.991 -8.250 1.00 0.00 O ATOM 0 H SER A 37 -7.873 18.492 -8.809 1.00 0.00 H new ATOM 0 HA SER A 37 -5.744 18.535 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.690 20.915 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.919 19.998 -8.930 1.00 0.00 H new ATOM 0 HG SER A 37 -8.030 20.596 -9.021 1.00 0.00 H new ATOM 577 N GLU A 38 -8.697 19.370 -5.867 1.00 0.00 N ATOM 578 CA GLU A 38 -9.474 19.683 -4.674 1.00 0.00 C ATOM 579 C GLU A 38 -9.073 18.791 -3.506 1.00 0.00 C ATOM 580 O GLU A 38 -9.086 19.220 -2.352 1.00 0.00 O ATOM 581 CB GLU A 38 -10.970 19.528 -4.957 1.00 0.00 C ATOM 582 CG GLU A 38 -11.872 19.870 -3.779 1.00 0.00 C ATOM 583 CD GLU A 38 -13.334 19.754 -4.108 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.647 19.338 -5.198 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.139 20.081 -3.268 1.00 0.00 O ATOM 0 H GLU A 38 -9.258 19.115 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.266 20.718 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.236 20.166 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.165 18.500 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.639 19.208 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.659 20.886 -3.448 1.00 0.00 H new ATOM 592 N VAL A 39 -8.717 17.548 -3.812 1.00 0.00 N ATOM 593 CA VAL A 39 -8.528 16.531 -2.785 1.00 0.00 C ATOM 594 C VAL A 39 -7.054 16.192 -2.610 1.00 0.00 C ATOM 595 O VAL A 39 -6.707 15.111 -2.133 1.00 0.00 O ATOM 596 CB VAL A 39 -9.306 15.252 -3.150 1.00 0.00 C ATOM 597 CG1 VAL A 39 -10.802 15.529 -3.179 1.00 0.00 C ATOM 598 CG2 VAL A 39 -8.830 14.722 -4.494 1.00 0.00 C ATOM 0 H VAL A 39 -8.553 17.221 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.907 16.934 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.117 14.494 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.336 14.615 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.127 15.873 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.015 16.297 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.384 13.818 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.998 15.476 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.766 14.492 -4.438 1.00 0.00 H new ATOM 608 N GLY A 40 -6.188 17.122 -2.999 1.00 0.00 N ATOM 609 CA GLY A 40 -4.762 17.007 -2.718 1.00 0.00 C ATOM 610 C GLY A 40 -3.927 17.449 -3.913 1.00 0.00 C ATOM 611 O GLY A 40 -4.373 17.368 -5.058 1.00 0.00 O ATOM 0 H GLY A 40 -6.450 17.965 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.510 17.616 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.521 15.975 -2.465 1.00 0.00 H new ATOM 615 N PRO A 41 -2.714 17.917 -3.640 1.00 0.00 N ATOM 616 CA PRO A 41 -1.797 18.331 -4.695 1.00 0.00 C ATOM 617 C PRO A 41 -1.583 17.214 -5.709 1.00 0.00 C ATOM 618 O PRO A 41 -1.293 16.076 -5.340 1.00 0.00 O ATOM 619 CB PRO A 41 -0.511 18.653 -3.928 1.00 0.00 C ATOM 620 CG PRO A 41 -0.984 19.048 -2.571 1.00 0.00 C ATOM 621 CD PRO A 41 -2.139 18.123 -2.293 1.00 0.00 C ATOM 0 HA PRO A 41 -2.164 19.175 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.153 17.789 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.046 19.459 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.196 18.934 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.296 20.092 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.810 17.186 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.860 18.568 -1.608 1.00 0.00 H new ATOM 629 N VAL A 42 -1.727 17.546 -6.987 1.00 0.00 N ATOM 630 CA VAL A 42 -1.690 16.546 -8.047 1.00 0.00 C ATOM 631 C VAL A 42 -0.618 16.875 -9.078 1.00 0.00 C ATOM 632 O VAL A 42 -0.396 18.041 -9.407 1.00 0.00 O ATOM 633 CB VAL A 42 -3.060 16.458 -8.746 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.428 17.797 -9.367 1.00 0.00 C ATOM 635 CG2 VAL A 42 -3.032 15.363 -9.802 1.00 0.00 C ATOM 0 H VAL A 42 -1.871 18.501 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.450 15.586 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.820 16.209 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.399 17.717 -9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.476 18.558 -8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.673 18.077 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.004 15.306 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.265 15.591 -10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.808 14.407 -9.329 1.00 0.00 H new ATOM 645 N VAL A 43 0.045 15.841 -9.585 1.00 0.00 N ATOM 646 CA VAL A 43 1.102 16.020 -10.574 1.00 0.00 C ATOM 647 C VAL A 43 0.529 16.104 -11.983 1.00 0.00 C ATOM 648 O VAL A 43 0.722 17.098 -12.683 1.00 0.00 O ATOM 649 CB VAL A 43 2.105 14.853 -10.500 1.00 0.00 C ATOM 650 CG1 VAL A 43 3.128 14.959 -11.621 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.792 14.847 -9.143 1.00 0.00 C ATOM 0 H VAL A 43 -0.131 14.870 -9.327 1.00 0.00 H new ATOM 0 HA VAL A 43 1.612 16.956 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 43 1.565 13.914 -10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.829 14.127 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.618 14.927 -12.584 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.672 15.899 -11.530 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.500 14.019 -9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.324 15.788 -9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.045 14.730 -8.358 1.00 0.00 H new ATOM 661 N SER A 44 -0.175 15.055 -12.394 1.00 0.00 N ATOM 662 CA SER A 44 -0.714 14.976 -13.746 1.00 0.00 C ATOM 663 C SER A 44 -1.725 13.843 -13.871 1.00 0.00 C ATOM 664 O SER A 44 -1.628 12.832 -13.174 1.00 0.00 O ATOM 665 CB SER A 44 0.409 14.776 -14.745 1.00 0.00 C ATOM 666 OG SER A 44 -0.092 14.656 -16.048 1.00 0.00 O ATOM 0 H SER A 44 -0.386 14.247 -11.809 1.00 0.00 H new ATOM 0 HA SER A 44 -1.225 15.915 -13.959 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.100 15.617 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.976 13.882 -14.486 1.00 0.00 H new ATOM 0 HG SER A 44 0.651 14.530 -16.674 1.00 0.00 H new ATOM 672 N PHE A 45 -2.694 14.017 -14.763 1.00 0.00 N ATOM 673 CA PHE A 45 -3.742 13.022 -14.960 1.00 0.00 C ATOM 674 C PHE A 45 -4.154 12.938 -16.424 1.00 0.00 C ATOM 675 O PHE A 45 -3.943 13.876 -17.193 1.00 0.00 O ATOM 676 CB PHE A 45 -4.962 13.355 -14.099 1.00 0.00 C ATOM 677 CG PHE A 45 -5.655 14.627 -14.496 1.00 0.00 C ATOM 678 CD1 PHE A 45 -6.719 14.606 -15.385 1.00 0.00 C ATOM 679 CD2 PHE A 45 -5.244 15.848 -13.983 1.00 0.00 C ATOM 680 CE1 PHE A 45 -7.357 15.777 -15.752 1.00 0.00 C ATOM 681 CE2 PHE A 45 -5.880 17.019 -14.346 1.00 0.00 C ATOM 682 CZ PHE A 45 -6.938 16.983 -15.232 1.00 0.00 C ATOM 0 H PHE A 45 -2.776 14.839 -15.362 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.342 12.054 -14.658 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.673 12.531 -14.159 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.650 13.432 -13.057 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.053 13.665 -15.795 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.416 15.884 -13.291 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.184 15.747 -16.446 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.550 17.962 -13.937 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.436 17.898 -15.517 1.00 0.00 H new ATOM 692 N ARG A 46 -4.742 11.809 -16.804 1.00 0.00 N ATOM 693 CA ARG A 46 -5.168 11.593 -18.181 1.00 0.00 C ATOM 694 C ARG A 46 -6.520 10.895 -18.237 1.00 0.00 C ATOM 695 O ARG A 46 -6.714 9.846 -17.622 1.00 0.00 O ATOM 696 CB ARG A 46 -4.140 10.762 -18.935 1.00 0.00 C ATOM 697 CG ARG A 46 -2.780 11.423 -19.101 1.00 0.00 C ATOM 698 CD ARG A 46 -2.843 12.582 -20.027 1.00 0.00 C ATOM 699 NE ARG A 46 -1.528 13.155 -20.268 1.00 0.00 N ATOM 700 CZ ARG A 46 -0.929 14.058 -19.467 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.538 14.479 -18.381 1.00 0.00 N ATOM 702 NH2 ARG A 46 0.271 14.519 -19.774 1.00 0.00 N ATOM 0 H ARG A 46 -4.935 11.028 -16.176 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.259 12.572 -18.652 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.006 9.815 -18.413 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.537 10.528 -19.923 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.415 11.753 -18.129 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.064 10.693 -19.479 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.281 12.267 -20.974 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.501 13.345 -19.610 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.024 12.852 -21.102 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.464 14.122 -18.145 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.085 15.163 -17.775 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.743 14.191 -20.617 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.725 15.203 -19.168 1.00 0.00 H new ATOM 716 N LEU A 47 -7.454 11.482 -18.978 1.00 0.00 N ATOM 717 CA LEU A 47 -8.748 10.856 -19.218 1.00 0.00 C ATOM 718 C LEU A 47 -8.731 10.031 -20.499 1.00 0.00 C ATOM 719 O LEU A 47 -8.466 10.554 -21.582 1.00 0.00 O ATOM 720 CB LEU A 47 -9.846 11.923 -19.304 1.00 0.00 C ATOM 721 CG LEU A 47 -11.252 11.406 -19.638 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.734 10.490 -18.522 1.00 0.00 C ATOM 723 CD2 LEU A 47 -12.195 12.585 -19.824 1.00 0.00 C ATOM 0 H LEU A 47 -7.338 12.392 -19.423 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.957 10.189 -18.382 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.890 12.451 -18.351 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.559 12.654 -20.060 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.229 10.835 -20.566 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.733 10.123 -18.759 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.051 9.646 -18.423 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.764 11.044 -17.584 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.194 12.218 -20.061 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.232 13.170 -18.905 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.836 13.213 -20.639 1.00 0.00 H new ATOM 735 N VAL A 48 -9.016 8.740 -20.369 1.00 0.00 N ATOM 736 CA VAL A 48 -9.053 7.844 -21.519 1.00 0.00 C ATOM 737 C VAL A 48 -10.346 8.013 -22.307 1.00 0.00 C ATOM 738 O VAL A 48 -11.439 7.965 -21.742 1.00 0.00 O ATOM 739 CB VAL A 48 -8.922 6.380 -21.060 1.00 0.00 C ATOM 740 CG1 VAL A 48 -9.038 5.437 -22.249 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.598 6.180 -20.340 1.00 0.00 C ATOM 0 H VAL A 48 -9.225 8.290 -19.478 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.214 8.100 -22.166 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.733 6.152 -20.368 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.943 4.406 -21.907 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.008 5.573 -22.728 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.246 5.656 -22.965 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.512 5.142 -20.018 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.777 6.420 -21.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.555 6.835 -19.470 1.00 0.00 H new ATOM 751 N TYR A 49 -10.215 8.210 -23.614 1.00 0.00 N ATOM 752 CA TYR A 49 -11.365 8.496 -24.465 1.00 0.00 C ATOM 753 C TYR A 49 -11.223 7.825 -25.825 1.00 0.00 C ATOM 754 O TYR A 49 -10.121 7.464 -26.238 1.00 0.00 O ATOM 755 CB TYR A 49 -11.543 10.006 -24.634 1.00 0.00 C ATOM 756 CG TYR A 49 -10.458 10.661 -25.459 1.00 0.00 C ATOM 757 CD1 TYR A 49 -10.652 10.875 -26.816 1.00 0.00 C ATOM 758 CD2 TYR A 49 -9.268 11.047 -24.859 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.661 11.473 -27.570 1.00 0.00 C ATOM 760 CE2 TYR A 49 -8.277 11.645 -25.613 1.00 0.00 C ATOM 761 CZ TYR A 49 -8.470 11.858 -26.963 1.00 0.00 C ATOM 762 OH TYR A 49 -7.483 12.453 -27.714 1.00 0.00 O ATOM 0 H TYR A 49 -9.323 8.177 -24.108 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.252 8.090 -23.978 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.508 10.198 -25.102 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.568 10.472 -23.649 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.578 10.574 -27.283 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.117 10.880 -23.803 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.810 11.641 -28.626 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.351 11.946 -25.146 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.716 12.662 -27.140 1.00 0.00 H new ATOM 772 N ASP A 50 -12.345 7.662 -26.518 1.00 0.00 N ATOM 773 CA ASP A 50 -12.339 7.098 -27.863 1.00 0.00 C ATOM 774 C ASP A 50 -11.801 8.098 -28.878 1.00 0.00 C ATOM 775 O ASP A 50 -12.334 9.199 -29.021 1.00 0.00 O ATOM 776 CB ASP A 50 -13.750 6.660 -28.266 1.00 0.00 C ATOM 777 CG ASP A 50 -13.786 5.947 -29.611 1.00 0.00 C ATOM 778 OD1 ASP A 50 -13.336 4.828 -29.680 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.264 6.528 -30.556 1.00 0.00 O ATOM 0 H ASP A 50 -13.271 7.913 -26.170 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.682 6.228 -27.855 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.153 5.999 -27.499 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.399 7.535 -28.306 1.00 0.00 H new ATOM 784 N ARG A 51 -10.743 7.709 -29.580 1.00 0.00 N ATOM 785 CA ARG A 51 -10.051 8.615 -30.489 1.00 0.00 C ATOM 786 C ARG A 51 -10.892 8.901 -31.727 1.00 0.00 C ATOM 787 O ARG A 51 -10.760 9.955 -32.349 1.00 0.00 O ATOM 788 CB ARG A 51 -8.713 8.029 -30.913 1.00 0.00 C ATOM 789 CG ARG A 51 -7.665 7.967 -29.814 1.00 0.00 C ATOM 790 CD ARG A 51 -6.404 7.344 -30.291 1.00 0.00 C ATOM 791 NE ARG A 51 -5.401 7.276 -29.241 1.00 0.00 N ATOM 792 CZ ARG A 51 -4.206 6.666 -29.362 1.00 0.00 C ATOM 793 NH1 ARG A 51 -3.880 6.078 -30.492 1.00 0.00 N ATOM 794 NH2 ARG A 51 -3.361 6.658 -28.346 1.00 0.00 N ATOM 0 H ARG A 51 -10.345 6.771 -29.537 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.883 9.550 -29.955 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.879 7.021 -31.294 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.318 8.622 -31.738 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.459 8.974 -29.451 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.056 7.398 -28.971 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.612 6.340 -30.659 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.011 7.917 -31.131 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.617 7.722 -28.349 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.532 6.084 -31.277 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.975 5.616 -30.584 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.613 7.114 -27.469 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.456 6.196 -28.439 1.00 0.00 H new ATOM 808 N GLU A 52 -11.757 7.956 -32.080 1.00 0.00 N ATOM 809 CA GLU A 52 -12.556 8.063 -33.295 1.00 0.00 C ATOM 810 C GLU A 52 -13.705 9.047 -33.114 1.00 0.00 C ATOM 811 O GLU A 52 -13.934 9.910 -33.960 1.00 0.00 O ATOM 812 CB GLU A 52 -13.104 6.692 -33.695 1.00 0.00 C ATOM 813 CG GLU A 52 -13.932 6.694 -34.973 1.00 0.00 C ATOM 814 CD GLU A 52 -13.126 7.045 -36.192 1.00 0.00 C ATOM 815 OE1 GLU A 52 -11.928 6.896 -36.152 1.00 0.00 O ATOM 816 OE2 GLU A 52 -13.708 7.462 -37.165 1.00 0.00 O ATOM 0 H GLU A 52 -11.923 7.106 -31.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.908 8.435 -34.088 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.269 6.002 -33.819 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.717 6.307 -32.880 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.380 5.710 -35.111 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.751 7.405 -34.868 1.00 0.00 H new ATOM 823 N THR A 53 -14.424 8.911 -32.005 1.00 0.00 N ATOM 824 CA THR A 53 -15.612 9.720 -31.758 1.00 0.00 C ATOM 825 C THR A 53 -15.307 10.869 -30.806 1.00 0.00 C ATOM 826 O THR A 53 -15.938 11.924 -30.869 1.00 0.00 O ATOM 827 CB THR A 53 -16.757 8.864 -31.187 1.00 0.00 C ATOM 828 OG1 THR A 53 -16.353 8.295 -29.935 1.00 0.00 O ATOM 829 CG2 THR A 53 -17.121 7.747 -32.153 1.00 0.00 C ATOM 0 H THR A 53 -14.204 8.247 -31.262 1.00 0.00 H new ATOM 0 HA THR A 53 -15.926 10.133 -32.716 1.00 0.00 H new ATOM 0 HB THR A 53 -17.629 9.502 -31.040 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.664 7.615 -30.092 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.932 7.152 -31.733 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.440 8.177 -33.102 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.252 7.110 -32.317 1.00 0.00 H new ATOM 837 N GLY A 54 -14.336 10.658 -29.924 1.00 0.00 N ATOM 838 CA GLY A 54 -13.952 11.673 -28.950 1.00 0.00 C ATOM 839 C GLY A 54 -14.676 11.467 -27.625 1.00 0.00 C ATOM 840 O GLY A 54 -14.475 12.221 -26.673 1.00 0.00 O ATOM 0 H GLY A 54 -13.800 9.792 -29.864 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.875 11.636 -28.788 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.182 12.663 -29.343 1.00 0.00 H new ATOM 844 N LYS A 55 -15.521 10.443 -27.571 1.00 0.00 N ATOM 845 CA LYS A 55 -16.304 10.158 -26.375 1.00 0.00 C ATOM 846 C LYS A 55 -15.458 9.465 -25.315 1.00 0.00 C ATOM 847 O LYS A 55 -14.832 8.439 -25.580 1.00 0.00 O ATOM 848 CB LYS A 55 -17.520 9.297 -26.723 1.00 0.00 C ATOM 849 CG LYS A 55 -18.459 9.033 -25.554 1.00 0.00 C ATOM 850 CD LYS A 55 -19.737 8.349 -26.016 1.00 0.00 C ATOM 851 CE LYS A 55 -19.482 6.900 -26.402 1.00 0.00 C ATOM 852 NZ LYS A 55 -20.736 6.197 -26.785 1.00 0.00 N ATOM 0 H LYS A 55 -15.681 9.796 -28.343 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.648 11.109 -25.968 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.080 9.786 -27.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.173 8.342 -27.117 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.957 8.409 -24.815 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.705 9.974 -25.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.481 8.390 -25.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.152 8.887 -26.869 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.778 6.865 -27.233 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.015 6.379 -25.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.518 5.213 -27.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.399 6.208 -25.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.169 6.678 -27.599 1.00 0.00 H new ATOM 866 N PRO A 56 -15.444 10.031 -24.113 1.00 0.00 N ATOM 867 CA PRO A 56 -14.702 9.450 -23.001 1.00 0.00 C ATOM 868 C PRO A 56 -15.110 8.002 -22.764 1.00 0.00 C ATOM 869 O PRO A 56 -16.269 7.634 -22.954 1.00 0.00 O ATOM 870 CB PRO A 56 -15.092 10.347 -21.821 1.00 0.00 C ATOM 871 CG PRO A 56 -15.408 11.661 -22.449 1.00 0.00 C ATOM 872 CD PRO A 56 -16.100 11.303 -23.737 1.00 0.00 C ATOM 0 HA PRO A 56 -13.626 9.416 -23.171 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.951 9.946 -21.283 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.278 10.435 -21.102 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.050 12.264 -21.807 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.504 12.242 -22.632 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.174 11.180 -23.599 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.962 12.071 -24.498 1.00 0.00 H new ATOM 880 N LYS A 57 -14.150 7.183 -22.348 1.00 0.00 N ATOM 881 CA LYS A 57 -14.422 5.790 -22.014 1.00 0.00 C ATOM 882 C LYS A 57 -15.013 5.663 -20.616 1.00 0.00 C ATOM 883 O LYS A 57 -15.708 4.695 -20.310 1.00 0.00 O ATOM 884 CB LYS A 57 -13.147 4.953 -22.124 1.00 0.00 C ATOM 885 CG LYS A 57 -12.580 4.853 -23.534 1.00 0.00 C ATOM 886 CD LYS A 57 -13.532 4.111 -24.461 1.00 0.00 C ATOM 887 CE LYS A 57 -12.905 3.876 -25.827 1.00 0.00 C ATOM 888 NZ LYS A 57 -13.841 3.191 -26.759 1.00 0.00 N ATOM 0 H LYS A 57 -13.175 7.461 -22.234 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.154 5.414 -22.728 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.388 5.382 -21.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.354 3.948 -21.756 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.394 5.853 -23.925 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.620 4.338 -23.507 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.805 3.155 -24.015 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.452 4.684 -24.575 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.601 4.831 -26.255 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.002 3.276 -25.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.750 3.605 -27.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.611 2.178 -26.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.817 3.311 -26.421 1.00 0.00 H new ATOM 902 N GLY A 58 -14.731 6.648 -19.769 1.00 0.00 N ATOM 903 CA GLY A 58 -15.345 6.721 -18.448 1.00 0.00 C ATOM 904 C GLY A 58 -14.347 6.356 -17.356 1.00 0.00 C ATOM 905 O GLY A 58 -14.730 6.089 -16.217 1.00 0.00 O ATOM 0 H GLY A 58 -14.081 7.407 -19.974 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.725 7.728 -18.276 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.200 6.046 -18.404 1.00 0.00 H new ATOM 909 N TYR A 59 -13.067 6.348 -17.711 1.00 0.00 N ATOM 910 CA TYR A 59 -12.007 6.072 -16.748 1.00 0.00 C ATOM 911 C TYR A 59 -10.701 6.738 -17.160 1.00 0.00 C ATOM 912 O TYR A 59 -10.526 7.119 -18.317 1.00 0.00 O ATOM 913 CB TYR A 59 -11.807 4.563 -16.590 1.00 0.00 C ATOM 914 CG TYR A 59 -11.380 3.868 -17.864 1.00 0.00 C ATOM 915 CD1 TYR A 59 -10.033 3.759 -18.177 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.335 3.339 -18.719 1.00 0.00 C ATOM 917 CE1 TYR A 59 -9.643 3.125 -19.341 1.00 0.00 C ATOM 918 CE2 TYR A 59 -11.946 2.704 -19.883 1.00 0.00 C ATOM 919 CZ TYR A 59 -10.606 2.596 -20.194 1.00 0.00 C ATOM 920 OH TYR A 59 -10.217 1.964 -21.353 1.00 0.00 O ATOM 0 H TYR A 59 -12.738 6.530 -18.659 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.310 6.489 -15.788 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.056 4.384 -15.820 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.737 4.117 -16.238 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.289 4.170 -17.511 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.384 3.423 -18.475 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.595 3.041 -19.588 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.690 2.293 -20.549 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.010 1.650 -21.836 1.00 0.00 H new ATOM 930 N GLY A 60 -9.786 6.876 -16.206 1.00 0.00 N ATOM 931 CA GLY A 60 -8.470 7.438 -16.482 1.00 0.00 C ATOM 932 C GLY A 60 -7.546 7.294 -15.280 1.00 0.00 C ATOM 933 O GLY A 60 -7.854 6.573 -14.331 1.00 0.00 O ATOM 0 H GLY A 60 -9.933 6.606 -15.233 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.031 6.936 -17.344 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.569 8.492 -16.744 1.00 0.00 H new ATOM 937 N PHE A 61 -6.412 7.985 -15.326 1.00 0.00 N ATOM 938 CA PHE A 61 -5.418 7.897 -14.263 1.00 0.00 C ATOM 939 C PHE A 61 -5.059 9.278 -13.729 1.00 0.00 C ATOM 940 O PHE A 61 -5.110 10.268 -14.457 1.00 0.00 O ATOM 941 CB PHE A 61 -4.155 7.196 -14.768 1.00 0.00 C ATOM 942 CG PHE A 61 -4.385 5.778 -15.209 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.743 5.494 -16.519 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.243 4.727 -14.317 1.00 0.00 C ATOM 945 CE1 PHE A 61 -4.955 4.190 -16.926 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.453 3.423 -14.721 1.00 0.00 C ATOM 947 CZ PHE A 61 -4.809 3.155 -16.027 1.00 0.00 C ATOM 0 H PHE A 61 -6.158 8.613 -16.089 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.853 7.314 -13.451 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.744 7.764 -15.602 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.405 7.204 -13.977 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.857 6.300 -17.228 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.965 4.930 -13.293 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.235 3.982 -17.948 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.339 2.614 -14.015 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.973 2.136 -16.344 1.00 0.00 H new ATOM 957 N CYS A 62 -4.695 9.336 -12.452 1.00 0.00 N ATOM 958 CA CYS A 62 -4.311 10.594 -11.822 1.00 0.00 C ATOM 959 C CYS A 62 -3.165 10.391 -10.840 1.00 0.00 C ATOM 960 O CYS A 62 -3.327 9.741 -9.807 1.00 0.00 O ATOM 961 CB CYS A 62 -5.502 11.212 -11.087 1.00 0.00 C ATOM 962 SG CYS A 62 -5.146 12.811 -10.320 1.00 0.00 S ATOM 0 H CYS A 62 -4.658 8.526 -11.833 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.981 11.269 -12.612 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.326 11.334 -11.790 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.840 10.519 -10.317 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.235 12.702 -9.028 1.00 0.00 H new ATOM 968 N GLU A 63 -2.006 10.952 -11.167 1.00 0.00 N ATOM 969 CA GLU A 63 -0.830 10.836 -10.313 1.00 0.00 C ATOM 970 C GLU A 63 -0.734 12.009 -9.347 1.00 0.00 C ATOM 971 O GLU A 63 -0.705 13.168 -9.763 1.00 0.00 O ATOM 972 CB GLU A 63 0.441 10.756 -11.162 1.00 0.00 C ATOM 973 CG GLU A 63 1.728 10.647 -10.358 1.00 0.00 C ATOM 974 CD GLU A 63 2.957 10.602 -11.223 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.831 10.302 -12.386 1.00 0.00 O ATOM 976 OE2 GLU A 63 4.023 10.870 -10.721 1.00 0.00 O ATOM 0 H GLU A 63 -1.856 11.492 -12.019 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.930 9.919 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.367 9.894 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.497 11.641 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.799 11.497 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.690 9.749 -9.742 1.00 0.00 H new ATOM 983 N TYR A 64 -0.683 11.703 -8.055 1.00 0.00 N ATOM 984 CA TYR A 64 -0.582 12.732 -7.027 1.00 0.00 C ATOM 985 C TYR A 64 0.849 12.865 -6.521 1.00 0.00 C ATOM 986 O TYR A 64 1.659 11.951 -6.672 1.00 0.00 O ATOM 987 CB TYR A 64 -1.528 12.423 -5.865 1.00 0.00 C ATOM 988 CG TYR A 64 -2.992 12.599 -6.206 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.688 11.571 -6.826 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.637 13.788 -5.901 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.024 11.732 -7.138 1.00 0.00 C ATOM 992 CE2 TYR A 64 -4.973 13.949 -6.213 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.665 12.926 -6.829 1.00 0.00 C ATOM 994 OH TYR A 64 -6.996 13.087 -7.139 1.00 0.00 O ATOM 0 H TYR A 64 -0.710 10.749 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.873 13.682 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.362 11.397 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.280 13.071 -5.024 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.185 10.645 -7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.095 14.588 -5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.568 10.933 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.476 14.875 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.292 13.977 -6.856 1.00 0.00 H new ATOM 1004 N GLN A 65 1.154 14.010 -5.919 1.00 0.00 N ATOM 1005 CA GLN A 65 2.525 14.340 -5.550 1.00 0.00 C ATOM 1006 C GLN A 65 3.038 13.415 -4.453 1.00 0.00 C ATOM 1007 O GLN A 65 4.165 12.923 -4.519 1.00 0.00 O ATOM 1008 CB GLN A 65 2.621 15.798 -5.092 1.00 0.00 C ATOM 1009 CG GLN A 65 2.420 16.814 -6.202 1.00 0.00 C ATOM 1010 CD GLN A 65 2.520 18.243 -5.704 1.00 0.00 C ATOM 1011 OE1 GLN A 65 2.683 18.488 -4.506 1.00 0.00 O ATOM 1012 NE2 GLN A 65 2.423 19.197 -6.623 1.00 0.00 N ATOM 0 H GLN A 65 0.469 14.726 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 65 3.149 14.203 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.876 15.973 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.599 15.961 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.166 16.650 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.443 16.659 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.288 18.949 -7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.483 20.178 -6.349 1.00 0.00 H new ATOM 1021 N ASP A 66 2.205 13.182 -3.445 1.00 0.00 N ATOM 1022 CA ASP A 66 2.594 12.365 -2.302 1.00 0.00 C ATOM 1023 C ASP A 66 1.794 11.070 -2.253 1.00 0.00 C ATOM 1024 O ASP A 66 0.737 10.958 -2.874 1.00 0.00 O ATOM 1025 CB ASP A 66 2.401 13.141 -0.997 1.00 0.00 C ATOM 1026 CG ASP A 66 3.292 14.373 -0.903 1.00 0.00 C ATOM 1027 OD1 ASP A 66 4.368 14.347 -1.453 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.889 15.327 -0.282 1.00 0.00 O ATOM 0 H ASP A 66 1.254 13.548 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 66 3.649 12.116 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.358 13.446 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.610 12.482 -0.154 1.00 0.00 H new ATOM 1033 N GLN A 67 2.304 10.093 -1.511 1.00 0.00 N ATOM 1034 CA GLN A 67 1.646 8.798 -1.391 1.00 0.00 C ATOM 1035 C GLN A 67 0.410 8.887 -0.506 1.00 0.00 C ATOM 1036 O GLN A 67 -0.637 8.325 -0.827 1.00 0.00 O ATOM 1037 CB GLN A 67 2.615 7.753 -0.831 1.00 0.00 C ATOM 1038 CG GLN A 67 3.833 7.503 -1.704 1.00 0.00 C ATOM 1039 CD GLN A 67 4.887 8.583 -1.551 1.00 0.00 C ATOM 1040 OE1 GLN A 67 4.709 9.541 -0.793 1.00 0.00 O ATOM 1041 NE2 GLN A 67 5.993 8.435 -2.271 1.00 0.00 N ATOM 0 H GLN A 67 3.173 10.174 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 67 1.331 8.493 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.949 8.075 0.155 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.080 6.813 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.267 6.537 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.523 7.447 -2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.098 7.627 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.738 9.129 -2.210 1.00 0.00 H new ATOM 1050 N GLU A 68 0.537 9.598 0.610 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.586 9.813 1.513 1.00 0.00 C ATOM 1052 C GLU A 68 -1.641 10.710 0.878 1.00 0.00 C ATOM 1053 O GLU A 68 -2.835 10.561 1.139 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.103 10.431 2.828 1.00 0.00 C ATOM 1055 CG GLU A 68 0.743 9.501 3.686 1.00 0.00 C ATOM 1056 CD GLU A 68 1.236 10.155 4.946 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.066 11.343 5.082 1.00 0.00 O ATOM 1058 OE2 GLU A 68 1.784 9.466 5.774 1.00 0.00 O ATOM 0 H GLU A 68 1.408 10.035 0.910 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.038 8.843 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.477 11.326 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.970 10.750 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.156 8.620 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.597 9.155 3.104 1.00 0.00 H new ATOM 1065 N THR A 69 -1.193 11.640 0.042 1.00 0.00 N ATOM 1066 CA THR A 69 -2.103 12.485 -0.723 1.00 0.00 C ATOM 1067 C THR A 69 -2.930 11.661 -1.700 1.00 0.00 C ATOM 1068 O THR A 69 -4.141 11.851 -1.818 1.00 0.00 O ATOM 1069 CB THR A 69 -1.333 13.578 -1.489 1.00 0.00 C ATOM 1070 OG1 THR A 69 -0.700 14.463 -0.556 1.00 0.00 O ATOM 1071 CG2 THR A 69 -2.279 14.374 -2.375 1.00 0.00 C ATOM 0 H THR A 69 -0.204 11.828 -0.123 1.00 0.00 H new ATOM 0 HA THR A 69 -2.776 12.962 -0.011 1.00 0.00 H new ATOM 0 HB THR A 69 -0.580 13.100 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.209 15.157 -1.044 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.718 15.142 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.753 13.706 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.044 14.846 -1.759 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.270 10.745 -2.400 1.00 0.00 N ATOM 1080 CA ALA A 70 -2.956 9.829 -3.304 1.00 0.00 C ATOM 1081 C ALA A 70 -3.988 8.991 -2.560 1.00 0.00 C ATOM 1082 O ALA A 70 -5.126 8.851 -3.006 1.00 0.00 O ATOM 1083 CB ALA A 70 -1.952 8.928 -4.009 1.00 0.00 C ATOM 0 H ALA A 70 -1.259 10.617 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.480 10.424 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.480 8.250 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.256 9.539 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.400 8.349 -3.269 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.583 8.435 -1.423 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.469 7.602 -0.619 1.00 0.00 C ATOM 1091 C LEU A 71 -5.659 8.401 -0.104 1.00 0.00 C ATOM 1092 O LEU A 71 -6.786 7.906 -0.078 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.701 6.998 0.563 1.00 0.00 C ATOM 1094 CG LEU A 71 -2.651 5.939 0.203 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -1.827 5.599 1.438 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.346 4.703 -0.348 1.00 0.00 C ATOM 0 H LEU A 71 -2.645 8.547 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.843 6.800 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.206 7.806 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.420 6.551 1.250 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.978 6.326 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.081 4.847 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.327 6.497 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.483 5.210 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.601 3.950 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.024 4.301 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.912 4.971 -1.240 1.00 0.00 H new ATOM 1108 N SER A 72 -5.403 9.639 0.304 1.00 0.00 N ATOM 1109 CA SER A 72 -6.463 10.531 0.758 1.00 0.00 C ATOM 1110 C SER A 72 -7.442 10.840 -0.367 1.00 0.00 C ATOM 1111 O SER A 72 -8.655 10.854 -0.161 1.00 0.00 O ATOM 1112 CB SER A 72 -5.868 11.820 1.291 1.00 0.00 C ATOM 1113 OG SER A 72 -5.097 11.582 2.436 1.00 0.00 O ATOM 0 H SER A 72 -4.469 10.048 0.330 1.00 0.00 H new ATOM 0 HA SER A 72 -7.008 10.027 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.250 12.284 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.667 12.523 1.526 1.00 0.00 H new ATOM 0 HG SER A 72 -4.231 11.205 2.175 1.00 0.00 H new ATOM 1119 N ALA A 73 -6.908 11.088 -1.558 1.00 0.00 N ATOM 1120 CA ALA A 73 -7.735 11.369 -2.725 1.00 0.00 C ATOM 1121 C ALA A 73 -8.648 10.194 -3.049 1.00 0.00 C ATOM 1122 O ALA A 73 -9.813 10.379 -3.401 1.00 0.00 O ATOM 1123 CB ALA A 73 -6.862 11.706 -3.925 1.00 0.00 C ATOM 0 H ALA A 73 -5.905 11.100 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.362 12.230 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.494 11.913 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.257 12.584 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.209 10.862 -4.148 1.00 0.00 H new ATOM 1129 N MET A 74 -8.113 8.984 -2.928 1.00 0.00 N ATOM 1130 CA MET A 74 -8.897 7.774 -3.146 1.00 0.00 C ATOM 1131 C MET A 74 -10.159 7.774 -2.293 1.00 0.00 C ATOM 1132 O MET A 74 -11.258 7.540 -2.795 1.00 0.00 O ATOM 1133 CB MET A 74 -8.052 6.537 -2.848 1.00 0.00 C ATOM 1134 CG MET A 74 -6.922 6.293 -3.839 1.00 0.00 C ATOM 1135 SD MET A 74 -5.854 4.922 -3.352 1.00 0.00 S ATOM 1136 CE MET A 74 -4.333 5.367 -4.184 1.00 0.00 C ATOM 0 H MET A 74 -7.138 8.815 -2.680 1.00 0.00 H new ATOM 0 HA MET A 74 -9.201 7.751 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.628 6.634 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.702 5.662 -2.835 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.345 6.088 -4.823 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.324 7.199 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.539 4.684 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.476 5.301 -5.263 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.057 6.387 -3.916 1.00 0.00 H new ATOM 1146 N ARG A 75 -9.994 8.036 -1.001 1.00 0.00 N ATOM 1147 CA ARG A 75 -11.114 8.028 -0.069 1.00 0.00 C ATOM 1148 C ARG A 75 -12.051 9.202 -0.323 1.00 0.00 C ATOM 1149 O ARG A 75 -13.268 9.079 -0.183 1.00 0.00 O ATOM 1150 CB ARG A 75 -10.615 8.083 1.368 1.00 0.00 C ATOM 1151 CG ARG A 75 -9.907 6.826 1.848 1.00 0.00 C ATOM 1152 CD ARG A 75 -9.404 6.976 3.237 1.00 0.00 C ATOM 1153 NE ARG A 75 -8.730 5.774 3.702 1.00 0.00 N ATOM 1154 CZ ARG A 75 -8.096 5.662 4.886 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -8.057 6.685 5.710 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -7.513 4.523 5.217 1.00 0.00 N ATOM 0 H ARG A 75 -9.094 8.257 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.664 7.100 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.933 8.927 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.463 8.278 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.593 5.980 1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.074 6.600 1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.716 7.820 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.237 7.206 3.902 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.738 4.959 3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.507 7.564 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.577 6.600 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.543 3.730 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.033 4.437 6.113 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.477 10.341 -0.697 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.248 11.566 -0.872 1.00 0.00 C ATOM 1172 C ASN A 76 -13.087 11.511 -2.142 1.00 0.00 C ATOM 1173 O ASN A 76 -14.196 12.045 -2.188 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.332 12.775 -0.889 1.00 0.00 C ATOM 1175 CG ASN A 76 -10.778 13.100 0.470 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.351 12.715 1.496 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -9.673 13.801 0.499 1.00 0.00 N ATOM 0 H ASN A 76 -10.479 10.441 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.928 11.659 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.508 12.592 -1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.881 13.637 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.251 14.051 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.234 14.098 -0.373 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.553 10.862 -3.171 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.195 10.841 -4.480 1.00 0.00 C ATOM 1186 C LEU A 77 -14.135 9.651 -4.613 1.00 0.00 C ATOM 1187 O LEU A 77 -15.205 9.756 -5.213 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.136 10.791 -5.589 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.220 12.018 -5.690 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.164 11.776 -6.760 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.054 13.249 -6.012 1.00 0.00 C ATOM 0 H LEU A 77 -11.676 10.343 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.781 11.755 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.515 9.909 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.643 10.659 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.714 12.185 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.513 12.647 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.571 10.901 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.651 11.606 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.403 14.121 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.569 13.101 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.788 13.408 -5.222 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.730 8.517 -4.051 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.513 7.291 -4.147 1.00 0.00 C ATOM 1205 C ASN A 78 -15.867 7.448 -3.466 1.00 0.00 C ATOM 1206 O ASN A 78 -15.945 7.604 -2.248 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.749 6.121 -3.555 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.474 4.815 -3.719 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.659 4.702 -3.384 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.787 3.825 -4.229 1.00 0.00 N ATOM 0 H ASN A 78 -12.862 8.422 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.691 7.089 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.771 6.052 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.575 6.305 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.227 2.915 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.811 3.963 -4.491 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.931 7.405 -4.260 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.285 7.540 -3.735 1.00 0.00 C ATOM 1219 C GLY A 79 -18.850 8.926 -4.020 1.00 0.00 C ATOM 1220 O GLY A 79 -20.049 9.160 -3.871 1.00 0.00 O ATOM 0 H GLY A 79 -16.882 7.278 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.929 6.783 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.281 7.360 -2.660 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.979 9.842 -4.430 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.388 11.209 -4.728 1.00 0.00 C ATOM 1226 C ARG A 80 -19.235 11.267 -5.992 1.00 0.00 C ATOM 1227 O ARG A 80 -18.843 10.749 -7.038 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.172 12.108 -4.893 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.489 13.577 -5.120 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.254 14.399 -5.207 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.553 15.808 -5.405 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.630 16.789 -5.433 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.357 16.499 -5.277 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.004 18.043 -5.619 1.00 0.00 N ATOM 0 H ARG A 80 -16.984 9.662 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.987 11.562 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.549 12.019 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.581 11.745 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.065 13.687 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.114 13.944 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.671 14.276 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.636 14.040 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.530 16.072 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.068 15.531 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.658 17.242 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.991 18.268 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.305 18.786 -5.640 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.398 11.901 -5.891 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.310 12.016 -7.023 1.00 0.00 C ATOM 1250 C GLU A 81 -20.976 13.231 -7.878 1.00 0.00 C ATOM 1251 O GLU A 81 -20.879 14.350 -7.373 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.758 12.105 -6.536 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.793 12.174 -7.649 1.00 0.00 C ATOM 1254 CD GLU A 81 -25.202 12.268 -7.133 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.383 12.209 -5.941 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -26.098 12.400 -7.933 1.00 0.00 O ATOM 0 H GLU A 81 -20.732 12.344 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.193 11.122 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.972 11.238 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.862 12.987 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.584 13.038 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.701 11.290 -8.279 1.00 0.00 H new ATOM 1263 N PHE A 82 -20.800 13.006 -9.176 1.00 0.00 N ATOM 1264 CA PHE A 82 -20.563 14.093 -10.117 1.00 0.00 C ATOM 1265 C PHE A 82 -21.386 13.912 -11.386 1.00 0.00 C ATOM 1266 O PHE A 82 -21.178 12.963 -12.142 1.00 0.00 O ATOM 1267 CB PHE A 82 -19.078 14.176 -10.474 1.00 0.00 C ATOM 1268 CG PHE A 82 -18.732 15.336 -11.365 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -18.786 16.637 -10.886 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -18.354 15.129 -12.682 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -18.469 17.704 -11.704 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -18.035 16.195 -13.502 1.00 0.00 C ATOM 1273 CZ PHE A 82 -18.093 17.484 -13.012 1.00 0.00 C ATOM 0 H PHE A 82 -20.817 12.079 -9.600 1.00 0.00 H new ATOM 0 HA PHE A 82 -20.870 15.021 -9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -18.497 14.250 -9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -18.780 13.250 -10.966 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -19.079 16.817 -9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.308 14.123 -13.072 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.516 18.712 -11.318 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.740 16.019 -14.526 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.844 18.318 -13.652 1.00 0.00 H new ATOM 1283 N SER A 83 -22.321 14.829 -11.615 1.00 0.00 N ATOM 1284 CA SER A 83 -23.222 14.736 -12.757 1.00 0.00 C ATOM 1285 C SER A 83 -24.044 13.454 -12.707 1.00 0.00 C ATOM 1286 O SER A 83 -24.278 12.815 -13.733 1.00 0.00 O ATOM 1287 CB SER A 83 -22.432 14.790 -14.051 1.00 0.00 C ATOM 1288 OG SER A 83 -23.242 15.209 -15.115 1.00 0.00 O ATOM 0 H SER A 83 -22.474 15.646 -11.023 1.00 0.00 H new ATOM 0 HA SER A 83 -23.906 15.583 -12.715 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.590 15.473 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.018 13.806 -14.270 1.00 0.00 H new ATOM 0 HG SER A 83 -23.242 14.524 -15.815 1.00 0.00 H new ATOM 1294 N GLY A 84 -24.480 13.083 -11.508 1.00 0.00 N ATOM 1295 CA GLY A 84 -25.357 11.932 -11.334 1.00 0.00 C ATOM 1296 C GLY A 84 -24.582 10.626 -11.457 1.00 0.00 C ATOM 1297 O GLY A 84 -25.146 9.589 -11.807 1.00 0.00 O ATOM 0 H GLY A 84 -24.240 13.564 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -25.838 11.982 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -26.150 11.959 -12.081 1.00 0.00 H new ATOM 1301 N ARG A 85 -23.287 10.683 -11.168 1.00 0.00 N ATOM 1302 CA ARG A 85 -22.427 9.509 -11.266 1.00 0.00 C ATOM 1303 C ARG A 85 -21.456 9.438 -10.095 1.00 0.00 C ATOM 1304 O ARG A 85 -20.628 10.329 -9.908 1.00 0.00 O ATOM 1305 CB ARG A 85 -21.644 9.527 -12.570 1.00 0.00 C ATOM 1306 CG ARG A 85 -22.490 9.398 -13.827 1.00 0.00 C ATOM 1307 CD ARG A 85 -23.077 8.039 -13.957 1.00 0.00 C ATOM 1308 NE ARG A 85 -23.820 7.885 -15.197 1.00 0.00 N ATOM 1309 CZ ARG A 85 -25.110 8.234 -15.364 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -25.786 8.753 -14.363 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -25.697 8.053 -16.535 1.00 0.00 N ATOM 0 H ARG A 85 -22.809 11.531 -10.863 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.070 8.629 -11.242 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -21.078 10.457 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -20.919 8.713 -12.553 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -23.289 10.139 -13.806 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -21.877 9.615 -14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -22.282 7.295 -13.916 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -23.738 7.847 -13.112 1.00 0.00 H new ATOM 0 HE ARG A 85 -23.330 7.484 -15.997 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -25.333 8.892 -13.459 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -26.763 9.017 -14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -25.173 7.649 -17.311 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.674 8.317 -16.662 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.563 8.373 -9.308 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.648 8.147 -8.196 1.00 0.00 C ATOM 1327 C ALA A 86 -19.303 7.627 -8.687 1.00 0.00 C ATOM 1328 O ALA A 86 -19.235 6.622 -9.394 1.00 0.00 O ATOM 1329 CB ALA A 86 -21.258 7.174 -7.197 1.00 0.00 C ATOM 0 H ALA A 86 -22.276 7.652 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.480 9.103 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.563 7.015 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -22.191 7.586 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.458 6.223 -7.691 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.233 8.318 -8.307 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.897 7.986 -8.787 1.00 0.00 C ATOM 1337 C LEU A 87 -16.392 6.693 -8.161 1.00 0.00 C ATOM 1338 O LEU A 87 -16.642 6.421 -6.987 1.00 0.00 O ATOM 1339 CB LEU A 87 -15.922 9.128 -8.473 1.00 0.00 C ATOM 1340 CG LEU A 87 -16.191 10.452 -9.201 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -15.240 11.521 -8.679 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -16.019 10.251 -10.699 1.00 0.00 C ATOM 0 H LEU A 87 -18.266 9.112 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.955 7.845 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.943 9.314 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.913 8.798 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.213 10.780 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.431 12.461 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.397 11.657 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.210 11.211 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.210 11.191 -11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.001 9.922 -10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.723 9.495 -11.048 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.680 5.897 -8.952 1.00 0.00 N ATOM 1355 CA ARG A 88 -15.051 4.681 -8.450 1.00 0.00 C ATOM 1356 C ARG A 88 -13.532 4.788 -8.492 1.00 0.00 C ATOM 1357 O ARG A 88 -12.918 4.621 -9.546 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.495 3.474 -9.263 1.00 0.00 C ATOM 1359 CG ARG A 88 -14.893 2.149 -8.821 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.608 0.994 -9.422 1.00 0.00 C ATOM 1361 NE ARG A 88 -15.568 1.028 -10.875 1.00 0.00 N ATOM 1362 CZ ARG A 88 -14.598 0.473 -11.627 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.597 -0.155 -11.050 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.652 0.558 -12.945 1.00 0.00 N ATOM 0 H ARG A 88 -15.524 6.073 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.364 4.554 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.581 3.399 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.237 3.643 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.841 2.114 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.932 2.076 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.160 0.066 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.645 0.995 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.328 1.506 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.555 -0.222 -10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.862 -0.575 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.429 1.044 -13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.917 0.137 -13.514 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.931 5.068 -7.341 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.535 5.485 -7.287 1.00 0.00 C ATOM 1380 C VAL A 89 -10.724 4.579 -6.370 1.00 0.00 C ATOM 1381 O VAL A 89 -11.120 4.314 -5.235 1.00 0.00 O ATOM 1382 CB VAL A 89 -11.431 6.939 -6.789 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.975 7.375 -6.718 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -12.225 7.858 -7.704 1.00 0.00 C ATOM 0 H VAL A 89 -13.390 5.014 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.129 5.413 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.851 7.000 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.920 8.405 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.434 6.726 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.526 7.308 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.147 8.884 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.827 7.796 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.272 7.553 -7.707 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.588 4.105 -6.869 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.697 3.263 -6.080 1.00 0.00 C ATOM 1396 C ASP A 90 -7.272 3.312 -6.618 1.00 0.00 C ATOM 1397 O ASP A 90 -7.002 3.964 -7.627 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.195 1.815 -6.071 1.00 0.00 C ATOM 1399 CG ASP A 90 -8.859 1.081 -4.780 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -7.910 1.459 -4.135 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -9.555 0.150 -4.451 1.00 0.00 O ATOM 0 H ASP A 90 -9.262 4.290 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.695 3.649 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.275 1.807 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.755 1.280 -6.912 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.364 2.620 -5.939 1.00 0.00 N ATOM 1407 CA ASN A 91 -4.962 2.598 -6.337 1.00 0.00 C ATOM 1408 C ASN A 91 -4.781 1.897 -7.678 1.00 0.00 C ATOM 1409 O ASN A 91 -5.208 0.756 -7.855 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.113 1.934 -5.269 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.641 2.156 -5.479 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.165 2.205 -6.619 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -1.912 2.292 -4.401 1.00 0.00 N ATOM 0 H ASN A 91 -6.575 2.066 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.630 3.630 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.399 2.320 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.318 0.863 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.907 2.446 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.349 2.244 -3.481 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.146 2.586 -8.619 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.967 2.058 -9.966 1.00 0.00 C ATOM 1422 C ALA A 92 -3.068 0.828 -9.961 1.00 0.00 C ATOM 1423 O ALA A 92 -3.106 0.016 -10.885 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.394 3.129 -10.884 1.00 0.00 C ATOM 0 H ALA A 92 -3.746 3.513 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.945 1.759 -10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.266 2.719 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.077 3.978 -10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.428 3.458 -10.501 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.260 0.697 -8.915 1.00 0.00 N ATOM 1431 CA ALA A 93 -1.319 -0.412 -8.808 1.00 0.00 C ATOM 1432 C ALA A 93 -2.003 -1.665 -8.277 1.00 0.00 C ATOM 1433 O ALA A 93 -1.392 -2.731 -8.198 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.149 -0.029 -7.914 1.00 0.00 C ATOM 0 H ALA A 93 -2.238 1.346 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.942 -0.631 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.545 -0.867 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.365 0.834 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.518 0.221 -6.919 1.00 0.00 H new