USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 43 CYS SG : rot 81:sc= -6.44! USER MOD Set 1.2: A 97 GLN : amide:sc= -0.995! K(o=-7.4!,f=-6.3) USER MOD Set 2.1: A 54 GLN : amide:sc= -3.16! K(o=-3.6!,f=-0.71) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.444 K(o=-3.6,f=-0.71) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 130:sc= 1.11 (180deg=0.0434) USER MOD Set 3.2: A 24 SER OG : rot -98:sc= 1.04 USER MOD Set 3.3: A 30 CYS SG : rot 160:sc= -2.31! USER MOD Set 4.1: A 11 GLN : amide:sc= 0.387 X(o=0.8,f=0.48) USER MOD Set 4.2: A 20 TYR OH : rot -105:sc= 0.417 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -6! K(o=-6!,f=-0.3) USER MOD Single : A 15 ASN : amide:sc= -5.62! C(o=-5.6!,f=-12!) USER MOD Single : A 21 MET CE :methyl -105:sc= -8.5! (180deg=-18.9!) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0142 (180deg=-0.16) USER MOD Single : A 29 SER OG : rot -110:sc= -0.0837 USER MOD Single : A 33 SER OG : rot -89:sc= -1.5! USER MOD Single : A 35 GLN : amide:sc= -3.43 K(o=-3.4,f=-1.9) USER MOD Single : A 38 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.79) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -56:sc= -1.89! USER MOD Single : A 67 ASN : amide:sc= -1.69 K(o=-1.7,f=-1) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000656 USER MOD Single : A 73 GLN : amide:sc= -5.09! C(o=-5.1!,f=-3.9!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.208 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 98 GLN : amide:sc= -2.7 K(o=-2.7,f=-0.59) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 86:sc= 0.668 USER MOD Single : A 106 LYS NZ :NH3+ -153:sc= -2.78! (180deg=-4.26!) USER MOD Single : A 107 TYR OH : rot -164:sc= 1.08 USER MOD Single : A 108 LYS NZ :NH3+ -153:sc= -0.162 (180deg=-0.824) USER MOD Single : A 109 SER OG : rot 65:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.984 9.097 3.678 1.00 0.00 N ATOM 60 CA ILE A 5 12.529 8.945 3.693 1.00 0.00 C ATOM 61 C ILE A 5 11.791 10.183 3.170 1.00 0.00 C ATOM 62 O ILE A 5 10.670 10.072 2.674 1.00 0.00 O ATOM 63 CB ILE A 5 12.070 8.584 5.123 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.407 7.128 5.410 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.587 8.807 5.299 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.460 6.779 6.877 1.00 0.00 C ATOM 0 HA ILE A 5 12.271 8.137 3.008 1.00 0.00 H new ATOM 0 HB ILE A 5 12.594 9.234 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.666 6.493 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.371 6.895 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.298 8.543 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.352 9.855 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.039 8.183 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.706 5.723 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.222 7.384 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.490 6.977 7.333 1.00 0.00 H new ATOM 78 N GLU A 6 12.425 11.346 3.271 1.00 0.00 N ATOM 79 CA GLU A 6 11.835 12.600 2.797 1.00 0.00 C ATOM 80 C GLU A 6 11.292 12.463 1.369 1.00 0.00 C ATOM 81 O GLU A 6 10.156 12.848 1.092 1.00 0.00 O ATOM 82 CB GLU A 6 12.886 13.708 2.831 1.00 0.00 C ATOM 83 CG GLU A 6 13.451 13.977 4.212 1.00 0.00 C ATOM 84 CD GLU A 6 14.579 14.988 4.189 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.965 15.436 3.090 1.00 0.00 O ATOM 86 OE2 GLU A 6 15.119 15.302 5.270 1.00 0.00 O ATOM 0 H GLU A 6 13.354 11.450 3.679 1.00 0.00 H new ATOM 0 HA GLU A 6 11.004 12.848 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.703 13.441 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.444 14.626 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.655 14.340 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.813 13.043 4.642 1.00 0.00 H new ATOM 93 N LYS A 7 12.101 11.886 0.478 1.00 0.00 N ATOM 94 CA LYS A 7 11.694 11.673 -0.912 1.00 0.00 C ATOM 95 C LYS A 7 10.481 10.748 -0.968 1.00 0.00 C ATOM 96 O LYS A 7 9.571 10.925 -1.779 1.00 0.00 O ATOM 97 CB LYS A 7 12.848 11.062 -1.725 1.00 0.00 C ATOM 98 CG LYS A 7 13.161 9.631 -1.331 1.00 0.00 C ATOM 99 CD LYS A 7 14.260 8.999 -2.170 1.00 0.00 C ATOM 100 CE LYS A 7 15.602 9.675 -1.956 1.00 0.00 C ATOM 101 NZ LYS A 7 16.691 8.958 -2.672 1.00 0.00 N ATOM 0 H LYS A 7 13.042 11.558 0.695 1.00 0.00 H new ATOM 0 HA LYS A 7 11.431 12.638 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.595 11.094 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.741 11.673 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.456 9.607 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.255 9.031 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.343 7.941 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.989 9.057 -3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.552 10.706 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.827 9.711 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.595 9.445 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.754 7.981 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.487 8.946 -3.692 1.00 0.00 H new ATOM 115 N ILE A 8 10.551 9.703 -0.164 1.00 0.00 N ATOM 116 CA ILE A 8 9.561 8.647 -0.157 1.00 0.00 C ATOM 117 C ILE A 8 8.204 9.142 0.329 1.00 0.00 C ATOM 118 O ILE A 8 7.180 8.854 -0.289 1.00 0.00 O ATOM 119 CB ILE A 8 10.034 7.484 0.728 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.372 6.948 0.209 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.986 6.390 0.745 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.974 5.855 1.065 1.00 0.00 C ATOM 0 H ILE A 8 11.305 9.564 0.509 1.00 0.00 H new ATOM 0 HA ILE A 8 9.444 8.304 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 8 10.177 7.840 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.231 6.566 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.080 7.774 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.328 5.568 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.052 6.787 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.823 6.026 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.919 5.530 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.150 6.236 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.287 5.010 1.112 1.00 0.00 H new ATOM 134 N GLN A 9 8.191 9.880 1.430 1.00 0.00 N ATOM 135 CA GLN A 9 6.934 10.392 1.966 1.00 0.00 C ATOM 136 C GLN A 9 6.245 11.319 0.982 1.00 0.00 C ATOM 137 O GLN A 9 5.027 11.276 0.845 1.00 0.00 O ATOM 138 CB GLN A 9 7.109 11.070 3.327 1.00 0.00 C ATOM 139 CG GLN A 9 7.426 10.095 4.448 1.00 0.00 C ATOM 140 CD GLN A 9 7.438 10.749 5.815 1.00 0.00 C ATOM 141 OE1 GLN A 9 6.465 11.382 6.222 1.00 0.00 O ATOM 142 NE2 GLN A 9 8.521 10.567 6.554 1.00 0.00 N ATOM 0 H GLN A 9 9.022 10.136 1.964 1.00 0.00 H new ATOM 0 HA GLN A 9 6.291 9.526 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.910 11.806 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.197 11.613 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.690 9.291 4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.398 9.638 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.309 10.036 6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.568 10.958 7.495 1.00 0.00 H new ATOM 151 N ARG A 10 7.025 12.064 0.214 1.00 0.00 N ATOM 152 CA ARG A 10 6.462 12.882 -0.851 1.00 0.00 C ATOM 153 C ARG A 10 5.721 12.005 -1.860 1.00 0.00 C ATOM 154 O ARG A 10 4.666 12.384 -2.372 1.00 0.00 O ATOM 155 CB ARG A 10 7.553 13.685 -1.565 1.00 0.00 C ATOM 156 CG ARG A 10 8.303 14.681 -0.683 1.00 0.00 C ATOM 157 CD ARG A 10 7.381 15.740 -0.086 1.00 0.00 C ATOM 158 NE ARG A 10 6.450 15.176 0.893 1.00 0.00 N ATOM 159 CZ ARG A 10 5.503 15.874 1.518 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.343 17.165 1.262 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.720 15.275 2.404 1.00 0.00 N ATOM 0 H ARG A 10 8.039 12.120 0.306 1.00 0.00 H new ATOM 0 HA ARG A 10 5.759 13.581 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.273 12.989 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.100 14.227 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.804 14.144 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.080 15.170 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.982 16.515 0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.817 16.221 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 10 6.532 14.183 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.947 17.629 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.616 17.694 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.844 14.283 2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.994 15.806 2.884 1.00 0.00 H new ATOM 175 N GLN A 11 6.275 10.824 -2.120 1.00 0.00 N ATOM 176 CA GLN A 11 5.672 9.875 -3.052 1.00 0.00 C ATOM 177 C GLN A 11 4.403 9.265 -2.471 1.00 0.00 C ATOM 178 O GLN A 11 3.387 9.182 -3.147 1.00 0.00 O ATOM 179 CB GLN A 11 6.670 8.766 -3.402 1.00 0.00 C ATOM 180 CG GLN A 11 6.139 7.766 -4.417 1.00 0.00 C ATOM 181 CD GLN A 11 7.117 6.641 -4.697 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.461 5.863 -3.808 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.582 6.555 -5.932 1.00 0.00 N ATOM 0 H GLN A 11 7.144 10.500 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 11 5.407 10.419 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.581 9.219 -3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.944 8.235 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.203 7.345 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.912 8.285 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.272 7.220 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.251 5.824 -6.175 1.00 0.00 H new ATOM 192 N ILE A 12 4.484 8.784 -1.241 1.00 0.00 N ATOM 193 CA ILE A 12 3.349 8.114 -0.610 1.00 0.00 C ATOM 194 C ILE A 12 2.202 9.089 -0.384 1.00 0.00 C ATOM 195 O ILE A 12 1.030 8.751 -0.530 1.00 0.00 O ATOM 196 CB ILE A 12 3.740 7.472 0.739 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.954 6.552 0.578 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.565 6.694 1.310 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.267 5.763 1.824 1.00 0.00 C ATOM 0 H ILE A 12 5.319 8.843 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 12 3.030 7.325 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 12 4.008 8.271 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.773 5.862 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.823 7.151 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.853 6.246 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.724 7.369 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.275 5.909 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.137 5.131 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.479 6.448 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.412 5.139 2.084 1.00 0.00 H new ATOM 211 N ALA A 13 2.550 10.291 0.009 1.00 0.00 N ATOM 212 CA ALA A 13 1.559 11.318 0.292 1.00 0.00 C ATOM 213 C ALA A 13 0.748 11.677 -0.953 1.00 0.00 C ATOM 214 O ALA A 13 -0.410 12.088 -0.846 1.00 0.00 O ATOM 215 CB ALA A 13 2.223 12.563 0.864 1.00 0.00 C ATOM 0 H ALA A 13 3.516 10.589 0.143 1.00 0.00 H new ATOM 0 HA ALA A 13 0.872 10.912 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.464 13.319 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.739 12.307 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.941 12.956 0.144 1.00 0.00 H new ATOM 221 N GLU A 14 1.404 11.673 -2.114 1.00 0.00 N ATOM 222 CA GLU A 14 0.769 12.157 -3.338 1.00 0.00 C ATOM 223 C GLU A 14 -0.294 11.188 -3.869 1.00 0.00 C ATOM 224 O GLU A 14 -1.316 11.628 -4.394 1.00 0.00 O ATOM 225 CB GLU A 14 1.793 12.470 -4.437 1.00 0.00 C ATOM 226 CG GLU A 14 2.512 11.254 -4.982 1.00 0.00 C ATOM 227 CD GLU A 14 3.426 11.580 -6.143 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.560 12.773 -6.489 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.015 10.644 -6.723 1.00 0.00 O ATOM 0 H GLU A 14 2.362 11.344 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 14 0.269 13.086 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.285 12.975 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.531 13.168 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.096 10.796 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.776 10.516 -5.302 1.00 0.00 H new ATOM 236 N ASN A 15 -0.041 9.881 -3.796 1.00 0.00 N ATOM 237 CA ASN A 15 -0.986 8.910 -4.354 1.00 0.00 C ATOM 238 C ASN A 15 -2.194 8.723 -3.459 1.00 0.00 C ATOM 239 O ASN A 15 -2.078 8.609 -2.237 1.00 0.00 O ATOM 240 CB ASN A 15 -0.320 7.559 -4.647 1.00 0.00 C ATOM 241 CG ASN A 15 1.002 7.394 -3.951 1.00 0.00 C ATOM 242 OD1 ASN A 15 1.069 7.400 -2.738 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.069 7.262 -4.726 1.00 0.00 N ATOM 0 H ASN A 15 0.790 9.475 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.328 9.325 -5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.989 6.756 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.174 7.458 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.994 7.160 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.965 7.262 -5.741 1.00 0.00 H new ATOM 250 N PRO A 16 -3.385 8.730 -4.074 1.00 0.00 N ATOM 251 CA PRO A 16 -4.655 8.598 -3.360 1.00 0.00 C ATOM 252 C PRO A 16 -4.765 7.272 -2.635 1.00 0.00 C ATOM 253 O PRO A 16 -5.232 7.205 -1.501 1.00 0.00 O ATOM 254 CB PRO A 16 -5.704 8.673 -4.478 1.00 0.00 C ATOM 255 CG PRO A 16 -4.965 8.365 -5.732 1.00 0.00 C ATOM 256 CD PRO A 16 -3.587 8.906 -5.523 1.00 0.00 C ATOM 0 HA PRO A 16 -4.772 9.363 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.509 7.958 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.160 9.662 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.941 7.292 -5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.443 8.830 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.845 8.359 -6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.514 9.953 -5.818 1.00 0.00 H new ATOM 264 N ILE A 17 -4.311 6.225 -3.297 1.00 0.00 N ATOM 265 CA ILE A 17 -4.335 4.887 -2.736 1.00 0.00 C ATOM 266 C ILE A 17 -3.021 4.212 -3.110 1.00 0.00 C ATOM 267 O ILE A 17 -2.674 4.167 -4.289 1.00 0.00 O ATOM 268 CB ILE A 17 -5.506 4.052 -3.330 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.849 4.812 -3.293 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.644 2.728 -2.591 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.356 5.147 -1.901 1.00 0.00 C ATOM 0 H ILE A 17 -3.916 6.277 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.470 4.948 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.262 3.865 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.741 5.738 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.603 4.213 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.468 2.156 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.719 2.159 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.844 2.919 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.304 5.680 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.502 4.227 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.627 5.775 -1.390 1.00 0.00 H new ATOM 283 N LEU A 18 -2.240 3.805 -2.121 1.00 0.00 N ATOM 284 CA LEU A 18 -0.911 3.277 -2.389 1.00 0.00 C ATOM 285 C LEU A 18 -0.671 1.972 -1.644 1.00 0.00 C ATOM 286 O LEU A 18 -1.176 1.761 -0.550 1.00 0.00 O ATOM 287 CB LEU A 18 0.159 4.289 -1.994 1.00 0.00 C ATOM 288 CG LEU A 18 1.574 3.943 -2.451 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.625 3.831 -3.968 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.547 5.004 -1.960 1.00 0.00 C ATOM 0 H LEU A 18 -2.500 3.829 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.849 3.083 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.112 5.261 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.158 4.391 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 18 1.861 2.981 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.640 3.584 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.943 3.048 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.329 4.781 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.555 4.753 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.264 5.974 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.520 5.046 -0.871 1.00 0.00 H new ATOM 302 N LEU A 19 0.033 1.077 -2.294 1.00 0.00 N ATOM 303 CA LEU A 19 0.285 -0.247 -1.771 1.00 0.00 C ATOM 304 C LEU A 19 1.721 -0.660 -2.047 1.00 0.00 C ATOM 305 O LEU A 19 2.112 -0.794 -3.188 1.00 0.00 O ATOM 306 CB LEU A 19 -0.697 -1.197 -2.450 1.00 0.00 C ATOM 307 CG LEU A 19 -0.396 -2.686 -2.363 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.293 -3.178 -0.925 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.484 -3.444 -3.089 1.00 0.00 C ATOM 0 H LEU A 19 0.451 1.247 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 19 0.146 -0.270 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.684 -1.026 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.756 -0.925 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 19 0.574 -2.862 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.077 -4.246 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.508 -2.644 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.236 -2.996 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.281 -4.513 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.447 -3.233 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.510 -3.132 -4.133 1.00 0.00 H new ATOM 321 N TYR A 20 2.488 -0.947 -1.018 1.00 0.00 N ATOM 322 CA TYR A 20 3.836 -1.434 -1.234 1.00 0.00 C ATOM 323 C TYR A 20 3.878 -2.943 -1.163 1.00 0.00 C ATOM 324 O TYR A 20 3.417 -3.541 -0.191 1.00 0.00 O ATOM 325 CB TYR A 20 4.814 -0.826 -0.234 1.00 0.00 C ATOM 326 CG TYR A 20 5.257 0.579 -0.578 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.353 1.627 -0.693 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.603 0.851 -0.795 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.784 2.899 -1.014 1.00 0.00 C ATOM 330 CE2 TYR A 20 7.036 2.117 -1.119 1.00 0.00 C ATOM 331 CZ TYR A 20 6.124 3.139 -1.228 1.00 0.00 C ATOM 332 OH TYR A 20 6.554 4.409 -1.545 1.00 0.00 O ATOM 0 H TYR A 20 2.210 -0.855 -0.041 1.00 0.00 H new ATOM 0 HA TYR A 20 4.142 -1.124 -2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.350 -0.818 0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.693 -1.466 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.301 1.445 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.324 0.052 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.071 3.706 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.086 2.306 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 20 6.775 4.451 -2.499 1.00 0.00 H new ATOM 342 N MET A 21 4.386 -3.552 -2.223 1.00 0.00 N ATOM 343 CA MET A 21 4.441 -4.994 -2.327 1.00 0.00 C ATOM 344 C MET A 21 5.683 -5.479 -3.064 1.00 0.00 C ATOM 345 O MET A 21 6.542 -4.698 -3.450 1.00 0.00 O ATOM 346 CB MET A 21 3.197 -5.496 -3.041 1.00 0.00 C ATOM 347 CG MET A 21 2.879 -4.771 -4.336 1.00 0.00 C ATOM 348 SD MET A 21 1.580 -5.592 -5.276 1.00 0.00 S ATOM 349 CE MET A 21 0.345 -5.869 -4.021 1.00 0.00 C ATOM 0 H MET A 21 4.769 -3.059 -3.030 1.00 0.00 H new ATOM 0 HA MET A 21 4.489 -5.394 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.320 -6.558 -3.254 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.345 -5.402 -2.368 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.572 -3.749 -4.112 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.781 -4.707 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.343 -6.922 -3.739 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.572 -5.259 -3.146 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.636 -5.595 -4.409 1.00 0.00 H new ATOM 359 N LYS A 22 5.717 -6.765 -3.360 1.00 0.00 N ATOM 360 CA LYS A 22 6.788 -7.325 -4.158 1.00 0.00 C ATOM 361 C LYS A 22 6.298 -7.378 -5.584 1.00 0.00 C ATOM 362 O LYS A 22 5.100 -7.429 -5.807 1.00 0.00 O ATOM 363 CB LYS A 22 7.199 -8.709 -3.638 1.00 0.00 C ATOM 364 CG LYS A 22 8.441 -9.289 -4.307 1.00 0.00 C ATOM 365 CD LYS A 22 8.995 -10.465 -3.511 1.00 0.00 C ATOM 366 CE LYS A 22 10.197 -11.107 -4.190 1.00 0.00 C ATOM 367 NZ LYS A 22 9.834 -11.746 -5.482 1.00 0.00 N ATOM 0 H LYS A 22 5.014 -7.440 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 22 7.683 -6.706 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.377 -8.643 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.368 -9.399 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.195 -9.614 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.204 -8.516 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.281 -10.125 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.213 -11.212 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.962 -10.350 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.632 -11.854 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.490 -11.428 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.894 -12.780 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.863 -11.478 -5.741 1.00 0.00 H new ATOM 381 N GLY A 23 7.169 -7.072 -6.515 1.00 0.00 N ATOM 382 CA GLY A 23 6.694 -6.791 -7.854 1.00 0.00 C ATOM 383 C GLY A 23 7.552 -7.391 -8.940 1.00 0.00 C ATOM 384 O GLY A 23 8.767 -7.201 -8.968 1.00 0.00 O ATOM 0 H GLY A 23 8.178 -7.011 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.677 -7.169 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.648 -5.711 -7.995 1.00 0.00 H new ATOM 388 N SER A 24 6.904 -8.089 -9.854 1.00 0.00 N ATOM 389 CA SER A 24 7.576 -8.695 -10.981 1.00 0.00 C ATOM 390 C SER A 24 6.624 -8.772 -12.170 1.00 0.00 C ATOM 391 O SER A 24 5.439 -8.985 -11.985 1.00 0.00 O ATOM 392 CB SER A 24 8.067 -10.091 -10.599 1.00 0.00 C ATOM 393 OG SER A 24 6.996 -10.937 -10.215 1.00 0.00 O ATOM 0 H SER A 24 5.897 -8.250 -9.833 1.00 0.00 H new ATOM 0 HA SER A 24 8.435 -8.086 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.596 -10.534 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.782 -10.014 -9.780 1.00 0.00 H new ATOM 0 HG SER A 24 6.932 -10.961 -9.237 1.00 0.00 H new ATOM 399 N PRO A 25 7.109 -8.562 -13.403 1.00 0.00 N ATOM 400 CA PRO A 25 6.261 -8.597 -14.605 1.00 0.00 C ATOM 401 C PRO A 25 5.414 -9.870 -14.673 1.00 0.00 C ATOM 402 O PRO A 25 4.233 -9.822 -15.021 1.00 0.00 O ATOM 403 CB PRO A 25 7.274 -8.561 -15.747 1.00 0.00 C ATOM 404 CG PRO A 25 8.448 -7.845 -15.180 1.00 0.00 C ATOM 405 CD PRO A 25 8.507 -8.237 -13.730 1.00 0.00 C ATOM 0 HA PRO A 25 5.543 -7.777 -14.631 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.541 -9.566 -16.072 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.873 -8.040 -16.617 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.365 -8.126 -15.698 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.338 -6.766 -15.289 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.165 -9.092 -13.572 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.885 -7.424 -13.110 1.00 0.00 H new ATOM 413 N LYS A 26 6.013 -10.993 -14.274 1.00 0.00 N ATOM 414 CA LYS A 26 5.308 -12.276 -14.215 1.00 0.00 C ATOM 415 C LYS A 26 4.155 -12.233 -13.204 1.00 0.00 C ATOM 416 O LYS A 26 3.157 -12.937 -13.352 1.00 0.00 O ATOM 417 CB LYS A 26 6.273 -13.413 -13.851 1.00 0.00 C ATOM 418 CG LYS A 26 6.931 -13.257 -12.488 1.00 0.00 C ATOM 419 CD LYS A 26 7.804 -14.453 -12.137 1.00 0.00 C ATOM 420 CE LYS A 26 8.957 -14.626 -13.113 1.00 0.00 C ATOM 421 NZ LYS A 26 9.878 -13.462 -13.101 1.00 0.00 N ATOM 0 H LYS A 26 6.990 -11.040 -13.985 1.00 0.00 H new ATOM 0 HA LYS A 26 4.894 -12.465 -15.205 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.730 -14.358 -13.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.050 -13.473 -14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.537 -12.351 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.162 -13.133 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.199 -14.329 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.195 -15.357 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.512 -15.530 -12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.562 -14.765 -14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.740 -13.696 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.410 -12.644 -13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.130 -13.229 -12.119 1.00 0.00 H new ATOM 435 N LEU A 27 4.335 -11.469 -12.133 1.00 0.00 N ATOM 436 CA LEU A 27 3.359 -11.413 -11.054 1.00 0.00 C ATOM 437 C LEU A 27 3.593 -10.130 -10.261 1.00 0.00 C ATOM 438 O LEU A 27 4.630 -9.982 -9.613 1.00 0.00 O ATOM 439 CB LEU A 27 3.574 -12.621 -10.140 1.00 0.00 C ATOM 440 CG LEU A 27 2.373 -13.077 -9.291 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.738 -14.311 -8.482 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.870 -11.979 -8.369 1.00 0.00 C ATOM 0 H LEU A 27 5.153 -10.877 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 27 2.344 -11.426 -11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.891 -13.461 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.399 -12.393 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 27 1.565 -13.320 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.880 -14.623 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.023 -15.118 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.573 -14.079 -7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.023 -12.349 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.669 -11.679 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.557 -11.120 -8.963 1.00 0.00 H new ATOM 454 N PRO A 28 2.692 -9.143 -10.373 1.00 0.00 N ATOM 455 CA PRO A 28 2.886 -7.831 -9.745 1.00 0.00 C ATOM 456 C PRO A 28 2.788 -7.842 -8.220 1.00 0.00 C ATOM 457 O PRO A 28 2.644 -6.793 -7.613 1.00 0.00 O ATOM 458 CB PRO A 28 1.753 -6.987 -10.336 1.00 0.00 C ATOM 459 CG PRO A 28 0.733 -7.955 -10.813 1.00 0.00 C ATOM 460 CD PRO A 28 1.483 -9.186 -11.208 1.00 0.00 C ATOM 0 HA PRO A 28 3.890 -7.455 -9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.334 -6.315 -9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.115 -6.365 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.008 -8.175 -10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.176 -7.550 -11.658 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.899 -10.087 -11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.730 -9.181 -12.270 1.00 0.00 H new ATOM 468 N SER A 29 2.952 -9.009 -7.608 1.00 0.00 N ATOM 469 CA SER A 29 2.966 -9.131 -6.161 1.00 0.00 C ATOM 470 C SER A 29 3.543 -10.467 -5.719 1.00 0.00 C ATOM 471 O SER A 29 2.946 -11.188 -4.922 1.00 0.00 O ATOM 472 CB SER A 29 1.580 -8.909 -5.595 1.00 0.00 C ATOM 473 OG SER A 29 0.601 -9.666 -6.285 1.00 0.00 O ATOM 0 H SER A 29 3.078 -9.893 -8.102 1.00 0.00 H new ATOM 0 HA SER A 29 3.620 -8.355 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.571 -9.180 -4.539 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.329 -7.850 -5.654 1.00 0.00 H new ATOM 0 HG SER A 29 0.030 -9.064 -6.806 1.00 0.00 H new ATOM 479 N CYS A 30 4.698 -10.791 -6.274 1.00 0.00 N ATOM 480 CA CYS A 30 5.402 -12.046 -6.010 1.00 0.00 C ATOM 481 C CYS A 30 5.910 -12.194 -4.563 1.00 0.00 C ATOM 482 O CYS A 30 7.084 -12.476 -4.338 1.00 0.00 O ATOM 483 CB CYS A 30 6.565 -12.157 -6.979 1.00 0.00 C ATOM 484 SG CYS A 30 7.521 -10.635 -7.158 1.00 0.00 S ATOM 0 H CYS A 30 5.186 -10.183 -6.932 1.00 0.00 H new ATOM 0 HA CYS A 30 4.682 -12.852 -6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.229 -12.954 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.183 -12.451 -7.957 1.00 0.00 H new ATOM 0 HG CYS A 30 8.696 -10.915 -7.639 1.00 0.00 H new ATOM 490 N GLY A 31 5.017 -12.050 -3.600 1.00 0.00 N ATOM 491 CA GLY A 31 5.371 -12.205 -2.195 1.00 0.00 C ATOM 492 C GLY A 31 4.150 -12.462 -1.331 1.00 0.00 C ATOM 493 O GLY A 31 3.240 -13.178 -1.750 1.00 0.00 O ATOM 0 H GLY A 31 4.036 -11.825 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.074 -13.031 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.880 -11.306 -1.847 1.00 0.00 H new ATOM 497 N PHE A 32 4.079 -11.820 -0.164 1.00 0.00 N ATOM 498 CA PHE A 32 2.897 -11.945 0.694 1.00 0.00 C ATOM 499 C PHE A 32 1.776 -11.136 0.102 1.00 0.00 C ATOM 500 O PHE A 32 0.622 -11.539 0.102 1.00 0.00 O ATOM 501 CB PHE A 32 3.130 -11.416 2.115 1.00 0.00 C ATOM 502 CG PHE A 32 4.148 -12.145 2.929 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.472 -12.208 2.537 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.764 -12.763 4.101 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.403 -12.878 3.307 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.687 -13.437 4.877 1.00 0.00 C ATOM 507 CZ PHE A 32 6.009 -13.492 4.480 1.00 0.00 C ATOM 0 H PHE A 32 4.813 -11.217 0.206 1.00 0.00 H new ATOM 0 HA PHE A 32 2.663 -13.008 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.430 -10.370 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.181 -11.441 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.782 -11.729 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.732 -12.719 4.415 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.435 -12.922 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.376 -13.920 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.734 -14.015 5.086 1.00 0.00 H new ATOM 517 N SER A 33 2.148 -9.983 -0.404 1.00 0.00 N ATOM 518 CA SER A 33 1.226 -9.053 -1.013 1.00 0.00 C ATOM 519 C SER A 33 0.294 -9.721 -2.016 1.00 0.00 C ATOM 520 O SER A 33 -0.809 -9.240 -2.239 1.00 0.00 O ATOM 521 CB SER A 33 2.030 -7.954 -1.665 1.00 0.00 C ATOM 522 OG SER A 33 3.046 -8.500 -2.493 1.00 0.00 O ATOM 0 H SER A 33 3.115 -9.660 -0.404 1.00 0.00 H new ATOM 0 HA SER A 33 0.578 -8.642 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.373 -7.319 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.479 -7.321 -0.899 1.00 0.00 H new ATOM 0 HG SER A 33 3.859 -8.641 -1.964 1.00 0.00 H new ATOM 528 N ALA A 34 0.722 -10.854 -2.568 1.00 0.00 N ATOM 529 CA ALA A 34 -0.101 -11.624 -3.489 1.00 0.00 C ATOM 530 C ALA A 34 -1.487 -11.902 -2.909 1.00 0.00 C ATOM 531 O ALA A 34 -2.481 -11.798 -3.616 1.00 0.00 O ATOM 532 CB ALA A 34 0.585 -12.932 -3.844 1.00 0.00 C ATOM 0 H ALA A 34 1.641 -11.259 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.229 -11.028 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.043 -13.497 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.545 -12.723 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.745 -13.516 -2.938 1.00 0.00 H new ATOM 538 N GLN A 35 -1.570 -12.244 -1.626 1.00 0.00 N ATOM 539 CA GLN A 35 -2.875 -12.503 -1.031 1.00 0.00 C ATOM 540 C GLN A 35 -3.580 -11.180 -0.692 1.00 0.00 C ATOM 541 O GLN A 35 -4.807 -11.091 -0.720 1.00 0.00 O ATOM 542 CB GLN A 35 -2.797 -13.446 0.198 1.00 0.00 C ATOM 543 CG GLN A 35 -2.806 -12.783 1.571 1.00 0.00 C ATOM 544 CD GLN A 35 -1.490 -12.159 1.963 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.486 -12.851 2.126 1.00 0.00 O ATOM 546 NE2 GLN A 35 -1.482 -10.851 2.112 1.00 0.00 N ATOM 0 H GLN A 35 -0.775 -12.346 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.473 -13.032 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.637 -14.139 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.888 -14.041 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.579 -12.015 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.081 -13.526 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.338 -10.316 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.620 -10.373 2.373 1.00 0.00 H new ATOM 555 N ALA A 36 -2.791 -10.172 -0.320 1.00 0.00 N ATOM 556 CA ALA A 36 -3.321 -8.872 0.096 1.00 0.00 C ATOM 557 C ALA A 36 -3.932 -8.103 -1.067 1.00 0.00 C ATOM 558 O ALA A 36 -5.017 -7.537 -0.945 1.00 0.00 O ATOM 559 CB ALA A 36 -2.225 -8.050 0.747 1.00 0.00 C ATOM 0 H ALA A 36 -1.773 -10.232 -0.298 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.117 -9.058 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.628 -7.085 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.844 -8.578 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.414 -7.896 0.035 1.00 0.00 H new ATOM 565 N VAL A 37 -3.214 -8.069 -2.181 1.00 0.00 N ATOM 566 CA VAL A 37 -3.656 -7.355 -3.374 1.00 0.00 C ATOM 567 C VAL A 37 -5.068 -7.778 -3.763 1.00 0.00 C ATOM 568 O VAL A 37 -5.883 -6.952 -4.186 1.00 0.00 O ATOM 569 CB VAL A 37 -2.687 -7.593 -4.562 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.588 -9.065 -4.923 1.00 0.00 C ATOM 571 CG2 VAL A 37 -3.103 -6.783 -5.781 1.00 0.00 C ATOM 0 H VAL A 37 -2.312 -8.533 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.658 -6.291 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.702 -7.258 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.900 -9.189 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.220 -9.626 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.573 -9.437 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.406 -6.970 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.107 -7.076 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.095 -5.722 -5.533 1.00 0.00 H new ATOM 581 N GLN A 38 -5.348 -9.066 -3.602 1.00 0.00 N ATOM 582 CA GLN A 38 -6.653 -9.607 -3.930 1.00 0.00 C ATOM 583 C GLN A 38 -7.715 -8.960 -3.053 1.00 0.00 C ATOM 584 O GLN A 38 -8.754 -8.532 -3.540 1.00 0.00 O ATOM 585 CB GLN A 38 -6.687 -11.129 -3.725 1.00 0.00 C ATOM 586 CG GLN A 38 -5.441 -11.864 -4.207 1.00 0.00 C ATOM 587 CD GLN A 38 -5.100 -11.657 -5.683 1.00 0.00 C ATOM 588 OE1 GLN A 38 -4.079 -12.155 -6.159 1.00 0.00 O ATOM 589 NE2 GLN A 38 -5.950 -10.969 -6.429 1.00 0.00 N ATOM 0 H GLN A 38 -4.684 -9.753 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.855 -9.391 -4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.827 -11.336 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.555 -11.533 -4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.592 -11.542 -3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.574 -12.931 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.788 -10.567 -6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.767 -10.841 -7.424 1.00 0.00 H new ATOM 598 N ALA A 39 -7.431 -8.894 -1.755 1.00 0.00 N ATOM 599 CA ALA A 39 -8.349 -8.306 -0.784 1.00 0.00 C ATOM 600 C ALA A 39 -8.636 -6.839 -1.082 1.00 0.00 C ATOM 601 O ALA A 39 -9.772 -6.388 -0.945 1.00 0.00 O ATOM 602 CB ALA A 39 -7.793 -8.449 0.624 1.00 0.00 C ATOM 0 H ALA A 39 -6.564 -9.244 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.291 -8.850 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.489 -8.006 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.659 -9.505 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.832 -7.938 0.689 1.00 0.00 H new ATOM 608 N LEU A 40 -7.595 -6.080 -1.412 1.00 0.00 N ATOM 609 CA LEU A 40 -7.743 -4.647 -1.635 1.00 0.00 C ATOM 610 C LEU A 40 -8.686 -4.415 -2.801 1.00 0.00 C ATOM 611 O LEU A 40 -9.687 -3.711 -2.678 1.00 0.00 O ATOM 612 CB LEU A 40 -6.388 -4.025 -1.984 1.00 0.00 C ATOM 613 CG LEU A 40 -6.204 -2.534 -1.640 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.845 -2.044 -2.119 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.311 -1.663 -2.217 1.00 0.00 C ATOM 0 H LEU A 40 -6.645 -6.432 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.136 -4.190 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.611 -4.591 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.221 -4.151 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.259 -2.447 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.730 -0.989 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.058 -2.620 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.773 -2.171 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.134 -0.622 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.320 -1.758 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.273 -1.984 -1.816 1.00 0.00 H new ATOM 627 N ALA A 41 -8.346 -5.026 -3.930 1.00 0.00 N ATOM 628 CA ALA A 41 -9.137 -4.909 -5.141 1.00 0.00 C ATOM 629 C ALA A 41 -10.538 -5.455 -4.915 1.00 0.00 C ATOM 630 O ALA A 41 -11.512 -4.960 -5.479 1.00 0.00 O ATOM 631 CB ALA A 41 -8.455 -5.638 -6.288 1.00 0.00 C ATOM 0 H ALA A 41 -7.518 -5.613 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.220 -3.854 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.059 -5.542 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.471 -5.203 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.345 -6.693 -6.035 1.00 0.00 H new ATOM 637 N ALA A 42 -10.616 -6.503 -4.106 1.00 0.00 N ATOM 638 CA ALA A 42 -11.890 -7.155 -3.814 1.00 0.00 C ATOM 639 C ALA A 42 -12.802 -6.250 -2.999 1.00 0.00 C ATOM 640 O ALA A 42 -13.966 -6.050 -3.348 1.00 0.00 O ATOM 641 CB ALA A 42 -11.665 -8.463 -3.074 1.00 0.00 C ATOM 0 H ALA A 42 -9.812 -6.922 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.377 -7.364 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.626 -8.933 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.061 -9.130 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.147 -8.266 -2.136 1.00 0.00 H new ATOM 647 N CYS A 43 -12.269 -5.688 -1.924 1.00 0.00 N ATOM 648 CA CYS A 43 -13.041 -4.790 -1.089 1.00 0.00 C ATOM 649 C CYS A 43 -13.269 -3.439 -1.757 1.00 0.00 C ATOM 650 O CYS A 43 -14.407 -2.997 -1.904 1.00 0.00 O ATOM 651 CB CYS A 43 -12.362 -4.601 0.263 1.00 0.00 C ATOM 652 SG CYS A 43 -12.909 -5.742 1.541 1.00 0.00 S ATOM 0 H CYS A 43 -11.309 -5.839 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.018 -5.250 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.285 -4.711 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.539 -3.581 0.605 1.00 0.00 H new ATOM 0 HG CYS A 43 -12.290 -6.877 1.404 1.00 0.00 H new ATOM 658 N GLY A 44 -12.189 -2.779 -2.144 1.00 0.00 N ATOM 659 CA GLY A 44 -12.302 -1.478 -2.771 1.00 0.00 C ATOM 660 C GLY A 44 -12.147 -1.527 -4.273 1.00 0.00 C ATOM 661 O GLY A 44 -12.759 -2.356 -4.947 1.00 0.00 O ATOM 0 H GLY A 44 -11.234 -3.121 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.273 -1.047 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.544 -0.814 -2.355 1.00 0.00 H new ATOM 665 N GLU A 45 -11.359 -0.594 -4.789 1.00 0.00 N ATOM 666 CA GLU A 45 -11.137 -0.447 -6.219 1.00 0.00 C ATOM 667 C GLU A 45 -9.689 -0.100 -6.534 1.00 0.00 C ATOM 668 O GLU A 45 -8.768 -0.613 -5.894 1.00 0.00 O ATOM 669 CB GLU A 45 -12.085 0.587 -6.821 1.00 0.00 C ATOM 670 CG GLU A 45 -13.473 0.034 -7.076 1.00 0.00 C ATOM 671 CD GLU A 45 -13.467 -1.030 -8.157 1.00 0.00 C ATOM 672 OE1 GLU A 45 -13.118 -0.703 -9.309 1.00 0.00 O ATOM 673 OE2 GLU A 45 -13.799 -2.195 -7.866 1.00 0.00 O ATOM 0 H GLU A 45 -10.853 0.086 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.350 -1.413 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.157 1.442 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.667 0.954 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.871 -0.388 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.139 0.846 -7.369 1.00 0.00 H new ATOM 680 N ARG A 46 -9.499 0.593 -7.649 1.00 0.00 N ATOM 681 CA ARG A 46 -8.179 0.822 -8.206 1.00 0.00 C ATOM 682 C ARG A 46 -7.256 1.527 -7.242 1.00 0.00 C ATOM 683 O ARG A 46 -7.683 2.292 -6.375 1.00 0.00 O ATOM 684 CB ARG A 46 -8.275 1.588 -9.518 1.00 0.00 C ATOM 685 CG ARG A 46 -8.994 0.812 -10.600 1.00 0.00 C ATOM 686 CD ARG A 46 -8.314 -0.525 -10.854 1.00 0.00 C ATOM 687 NE ARG A 46 -6.913 -0.362 -11.242 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.064 -1.374 -11.412 1.00 0.00 C ATOM 689 NH1 ARG A 46 -6.458 -2.626 -11.203 1.00 0.00 N ATOM 690 NH2 ARG A 46 -4.818 -1.132 -11.785 1.00 0.00 N ATOM 0 H ARG A 46 -10.257 1.010 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.743 -0.158 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.796 2.530 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.271 1.837 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.031 0.647 -10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.012 1.396 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.372 -1.138 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.848 -1.060 -11.639 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.565 0.585 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.416 -2.817 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.802 -3.396 -11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.510 -0.172 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.166 -1.905 -11.916 1.00 0.00 H new ATOM 704 N PHE A 47 -6.009 1.124 -7.309 1.00 0.00 N ATOM 705 CA PHE A 47 -5.022 1.542 -6.347 1.00 0.00 C ATOM 706 C PHE A 47 -3.643 1.515 -6.978 1.00 0.00 C ATOM 707 O PHE A 47 -3.392 0.752 -7.917 1.00 0.00 O ATOM 708 CB PHE A 47 -5.080 0.621 -5.124 1.00 0.00 C ATOM 709 CG PHE A 47 -4.720 -0.820 -5.393 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.399 -1.193 -5.595 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.703 -1.802 -5.434 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.064 -2.509 -5.828 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.371 -3.122 -5.668 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.048 -3.476 -5.862 1.00 0.00 C ATOM 0 H PHE A 47 -5.652 0.498 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.231 2.563 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.406 1.012 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.087 0.657 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.623 -0.442 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.737 -1.530 -5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.031 -2.784 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.143 -3.877 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.785 -4.508 -6.040 1.00 0.00 H new ATOM 724 N ALA A 48 -2.743 2.293 -6.425 1.00 0.00 N ATOM 725 CA ALA A 48 -1.370 2.295 -6.880 1.00 0.00 C ATOM 726 C ALA A 48 -0.541 1.426 -5.968 1.00 0.00 C ATOM 727 O ALA A 48 -0.852 1.290 -4.791 1.00 0.00 O ATOM 728 CB ALA A 48 -0.808 3.702 -6.952 1.00 0.00 C ATOM 0 H ALA A 48 -2.936 2.935 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.336 1.889 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.225 3.664 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.402 4.296 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.843 4.159 -5.963 1.00 0.00 H new ATOM 734 N TYR A 49 0.459 0.779 -6.520 1.00 0.00 N ATOM 735 CA TYR A 49 1.260 -0.144 -5.754 1.00 0.00 C ATOM 736 C TYR A 49 2.726 0.085 -6.107 1.00 0.00 C ATOM 737 O TYR A 49 3.047 0.486 -7.233 1.00 0.00 O ATOM 738 CB TYR A 49 0.850 -1.597 -6.058 1.00 0.00 C ATOM 739 CG TYR A 49 1.530 -2.182 -7.265 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.810 -2.695 -7.147 1.00 0.00 C ATOM 741 CD2 TYR A 49 0.924 -2.183 -8.508 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.479 -3.199 -8.233 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.580 -2.697 -9.611 1.00 0.00 C ATOM 744 CZ TYR A 49 2.860 -3.204 -9.469 1.00 0.00 C ATOM 745 OH TYR A 49 3.523 -3.698 -10.569 1.00 0.00 O ATOM 0 H TYR A 49 0.736 0.875 -7.497 1.00 0.00 H new ATOM 0 HA TYR A 49 1.105 0.026 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.075 -2.217 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.229 -1.636 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.292 -2.699 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.071 -1.778 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.480 -3.588 -8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.097 -2.703 -10.577 1.00 0.00 H new ATOM 0 HH TYR A 49 2.945 -3.629 -11.358 1.00 0.00 H new ATOM 755 N VAL A 50 3.607 -0.172 -5.164 1.00 0.00 N ATOM 756 CA VAL A 50 5.026 -0.012 -5.391 1.00 0.00 C ATOM 757 C VAL A 50 5.755 -1.279 -5.011 1.00 0.00 C ATOM 758 O VAL A 50 5.635 -1.757 -3.882 1.00 0.00 O ATOM 759 CB VAL A 50 5.608 1.159 -4.561 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.084 1.356 -4.863 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.832 2.442 -4.810 1.00 0.00 C ATOM 0 H VAL A 50 3.363 -0.495 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 50 5.164 0.205 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 50 5.508 0.903 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.470 2.184 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.631 0.446 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.212 1.580 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.261 3.248 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.888 2.702 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.789 2.297 -4.527 1.00 0.00 H new ATOM 771 N ASP A 51 6.560 -1.782 -5.926 1.00 0.00 N ATOM 772 CA ASP A 51 7.368 -2.945 -5.638 1.00 0.00 C ATOM 773 C ASP A 51 8.576 -2.541 -4.805 1.00 0.00 C ATOM 774 O ASP A 51 9.161 -1.477 -5.002 1.00 0.00 O ATOM 775 CB ASP A 51 7.773 -3.700 -6.912 1.00 0.00 C ATOM 776 CG ASP A 51 8.656 -2.913 -7.863 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.811 -2.626 -7.514 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.193 -2.589 -8.976 1.00 0.00 O ATOM 0 H ASP A 51 6.670 -1.405 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 51 6.766 -3.643 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.294 -4.614 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.869 -4.001 -7.442 1.00 0.00 H new ATOM 783 N ILE A 52 8.821 -3.317 -3.768 1.00 0.00 N ATOM 784 CA ILE A 52 9.819 -2.981 -2.764 1.00 0.00 C ATOM 785 C ILE A 52 10.458 -4.226 -2.187 1.00 0.00 C ATOM 786 O ILE A 52 11.665 -4.266 -2.035 1.00 0.00 O ATOM 787 CB ILE A 52 9.264 -2.083 -1.641 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.758 -2.239 -1.503 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.625 -0.639 -1.872 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.337 -3.548 -0.915 1.00 0.00 C ATOM 0 H ILE A 52 8.336 -4.198 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 52 10.586 -2.403 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 52 9.725 -2.406 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.374 -1.431 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.299 -2.129 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.220 -0.029 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.710 -0.535 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.207 -0.307 -2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.250 -3.584 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.689 -4.362 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.765 -3.654 0.082 1.00 0.00 H new ATOM 802 N LEU A 53 9.703 -5.317 -2.089 1.00 0.00 N ATOM 803 CA LEU A 53 10.336 -6.601 -1.796 1.00 0.00 C ATOM 804 C LEU A 53 11.219 -7.005 -2.978 1.00 0.00 C ATOM 805 O LEU A 53 12.031 -7.922 -2.881 1.00 0.00 O ATOM 806 CB LEU A 53 9.341 -7.731 -1.484 1.00 0.00 C ATOM 807 CG LEU A 53 8.460 -7.567 -0.243 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.239 -6.923 0.881 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.184 -6.805 -0.549 1.00 0.00 C ATOM 0 H LEU A 53 8.690 -5.342 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 53 10.927 -6.460 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.688 -7.853 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.905 -8.657 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 53 8.157 -8.562 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.596 -6.815 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.095 -7.548 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.589 -5.941 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.589 -6.712 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.434 -5.812 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.611 -7.343 -1.304 1.00 0.00 H new ATOM 821 N GLN A 54 11.065 -6.277 -4.082 1.00 0.00 N ATOM 822 CA GLN A 54 11.852 -6.500 -5.285 1.00 0.00 C ATOM 823 C GLN A 54 13.073 -5.569 -5.296 1.00 0.00 C ATOM 824 O GLN A 54 14.191 -6.019 -5.536 1.00 0.00 O ATOM 825 CB GLN A 54 10.959 -6.307 -6.538 1.00 0.00 C ATOM 826 CG GLN A 54 11.668 -6.531 -7.873 1.00 0.00 C ATOM 827 CD GLN A 54 12.419 -5.314 -8.397 1.00 0.00 C ATOM 828 OE1 GLN A 54 13.187 -5.417 -9.351 1.00 0.00 O ATOM 829 NE2 GLN A 54 12.139 -4.145 -7.844 1.00 0.00 N ATOM 0 H GLN A 54 10.390 -5.517 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 54 12.225 -7.524 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.113 -6.992 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.552 -5.296 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.370 -7.357 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.931 -6.836 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.497 -4.096 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.565 -3.293 -8.209 1.00 0.00 H new ATOM 838 N ASN A 55 12.879 -4.300 -4.932 1.00 0.00 N ATOM 839 CA ASN A 55 14.004 -3.365 -4.797 1.00 0.00 C ATOM 840 C ASN A 55 14.753 -3.601 -3.495 1.00 0.00 C ATOM 841 O ASN A 55 14.171 -3.580 -2.421 1.00 0.00 O ATOM 842 CB ASN A 55 13.529 -1.909 -4.861 1.00 0.00 C ATOM 843 CG ASN A 55 12.976 -1.535 -6.220 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.663 -1.649 -7.236 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.738 -1.075 -6.250 1.00 0.00 N ATOM 0 H ASN A 55 11.965 -3.897 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 55 14.679 -3.548 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.762 -1.748 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.361 -1.248 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.318 -0.799 -7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.202 -0.996 -5.386 1.00 0.00 H new ATOM 852 N PRO A 56 16.059 -3.847 -3.579 1.00 0.00 N ATOM 853 CA PRO A 56 16.882 -4.113 -2.402 1.00 0.00 C ATOM 854 C PRO A 56 16.997 -2.918 -1.455 1.00 0.00 C ATOM 855 O PRO A 56 17.039 -3.092 -0.234 1.00 0.00 O ATOM 856 CB PRO A 56 18.252 -4.466 -2.988 1.00 0.00 C ATOM 857 CG PRO A 56 18.256 -3.885 -4.361 1.00 0.00 C ATOM 858 CD PRO A 56 16.832 -3.912 -4.830 1.00 0.00 C ATOM 0 HA PRO A 56 16.445 -4.902 -1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.057 -4.050 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.401 -5.545 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.644 -2.866 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.896 -4.464 -5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.609 -3.069 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.611 -4.820 -5.392 1.00 0.00 H new ATOM 866 N ASP A 57 17.191 -1.729 -2.010 1.00 0.00 N ATOM 867 CA ASP A 57 17.470 -0.557 -1.178 1.00 0.00 C ATOM 868 C ASP A 57 16.186 0.062 -0.626 1.00 0.00 C ATOM 869 O ASP A 57 16.084 0.330 0.571 1.00 0.00 O ATOM 870 CB ASP A 57 18.257 0.498 -1.964 1.00 0.00 C ATOM 871 CG ASP A 57 18.841 1.571 -1.063 1.00 0.00 C ATOM 872 OD1 ASP A 57 18.779 1.415 0.172 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.427 2.547 -1.582 1.00 0.00 O ATOM 0 H ASP A 57 17.162 -1.547 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 57 18.074 -0.899 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.062 0.012 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.602 0.963 -2.701 1.00 0.00 H new ATOM 878 N ILE A 58 15.223 0.319 -1.513 1.00 0.00 N ATOM 879 CA ILE A 58 13.957 0.956 -1.128 1.00 0.00 C ATOM 880 C ILE A 58 13.258 0.148 -0.036 1.00 0.00 C ATOM 881 O ILE A 58 12.659 0.703 0.884 1.00 0.00 O ATOM 882 CB ILE A 58 12.999 1.109 -2.333 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.713 1.787 -3.505 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.782 1.928 -1.929 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.837 1.978 -4.727 1.00 0.00 C ATOM 0 H ILE A 58 15.294 0.096 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 58 14.204 1.949 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 58 12.677 0.116 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.083 2.759 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.583 1.191 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.113 2.031 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.258 1.425 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.102 2.916 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.412 2.464 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.487 1.008 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.980 2.600 -4.467 1.00 0.00 H new ATOM 897 N ARG A 59 13.371 -1.168 -0.152 1.00 0.00 N ATOM 898 CA ARG A 59 12.785 -2.108 0.802 1.00 0.00 C ATOM 899 C ARG A 59 13.198 -1.801 2.242 1.00 0.00 C ATOM 900 O ARG A 59 12.495 -2.158 3.180 1.00 0.00 O ATOM 901 CB ARG A 59 13.204 -3.530 0.431 1.00 0.00 C ATOM 902 CG ARG A 59 12.654 -4.614 1.341 1.00 0.00 C ATOM 903 CD ARG A 59 13.030 -5.993 0.825 1.00 0.00 C ATOM 904 NE ARG A 59 14.479 -6.172 0.723 1.00 0.00 N ATOM 905 CZ ARG A 59 15.061 -7.247 0.192 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.316 -8.255 -0.245 1.00 0.00 N ATOM 907 NH2 ARG A 59 16.384 -7.318 0.111 1.00 0.00 N ATOM 0 H ARG A 59 13.875 -1.620 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 59 11.701 -2.008 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.881 -3.734 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.293 -3.587 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.043 -4.480 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.569 -4.527 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.618 -6.752 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.577 -6.148 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 59 15.080 -5.429 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.300 -8.206 -0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.760 -9.078 -0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.958 -6.549 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.827 -8.142 -0.296 1.00 0.00 H new ATOM 921 N ALA A 60 14.392 -1.265 2.415 1.00 0.00 N ATOM 922 CA ALA A 60 14.945 -1.051 3.742 1.00 0.00 C ATOM 923 C ALA A 60 14.527 0.284 4.378 1.00 0.00 C ATOM 924 O ALA A 60 14.623 0.421 5.589 1.00 0.00 O ATOM 925 CB ALA A 60 16.462 -1.155 3.692 1.00 0.00 C ATOM 0 H ALA A 60 15.000 -0.969 1.652 1.00 0.00 H new ATOM 0 HA ALA A 60 14.532 -1.833 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.871 -0.994 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.747 -2.146 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.856 -0.400 3.012 1.00 0.00 H new ATOM 931 N GLU A 61 14.408 1.324 3.562 1.00 0.00 N ATOM 932 CA GLU A 61 14.395 2.696 4.088 1.00 0.00 C ATOM 933 C GLU A 61 13.060 3.138 4.704 1.00 0.00 C ATOM 934 O GLU A 61 13.026 3.581 5.851 1.00 0.00 O ATOM 935 CB GLU A 61 14.776 3.673 2.972 1.00 0.00 C ATOM 936 CG GLU A 61 16.148 3.416 2.371 1.00 0.00 C ATOM 937 CD GLU A 61 16.502 4.412 1.286 1.00 0.00 C ATOM 938 OE1 GLU A 61 15.785 4.476 0.268 1.00 0.00 O ATOM 939 OE2 GLU A 61 17.499 5.148 1.451 1.00 0.00 O ATOM 0 H GLU A 61 14.320 1.254 2.548 1.00 0.00 H new ATOM 0 HA GLU A 61 15.121 2.705 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.027 3.616 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.747 4.689 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.900 3.459 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.177 2.408 1.958 1.00 0.00 H new ATOM 946 N LEU A 62 11.995 3.155 3.911 1.00 0.00 N ATOM 947 CA LEU A 62 10.717 3.717 4.376 1.00 0.00 C ATOM 948 C LEU A 62 9.924 2.816 5.324 1.00 0.00 C ATOM 949 O LEU A 62 9.173 3.336 6.144 1.00 0.00 O ATOM 950 CB LEU A 62 9.777 4.123 3.243 1.00 0.00 C ATOM 951 CG LEU A 62 9.256 2.991 2.372 1.00 0.00 C ATOM 952 CD1 LEU A 62 7.970 3.409 1.689 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.292 2.621 1.338 1.00 0.00 C ATOM 0 H LEU A 62 11.982 2.794 2.957 1.00 0.00 H new ATOM 0 HA LEU A 62 11.049 4.599 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.923 4.645 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.297 4.837 2.604 1.00 0.00 H new ATOM 0 HG LEU A 62 9.055 2.124 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.605 2.591 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.221 3.654 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.157 4.283 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.913 1.809 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.507 3.487 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.206 2.299 1.837 1.00 0.00 H new ATOM 965 N PRO A 63 9.984 1.475 5.216 1.00 0.00 N ATOM 966 CA PRO A 63 9.167 0.612 6.065 1.00 0.00 C ATOM 967 C PRO A 63 9.405 0.923 7.518 1.00 0.00 C ATOM 968 O PRO A 63 8.470 0.969 8.326 1.00 0.00 O ATOM 969 CB PRO A 63 9.654 -0.799 5.737 1.00 0.00 C ATOM 970 CG PRO A 63 10.936 -0.605 5.017 1.00 0.00 C ATOM 971 CD PRO A 63 10.775 0.678 4.272 1.00 0.00 C ATOM 0 HA PRO A 63 8.099 0.742 5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.795 -1.388 6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.931 -1.332 5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.774 -0.555 5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.135 -1.433 4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.735 1.144 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.259 0.538 3.322 1.00 0.00 H new ATOM 979 N LYS A 64 10.671 1.172 7.815 1.00 0.00 N ATOM 980 CA LYS A 64 11.110 1.517 9.147 1.00 0.00 C ATOM 981 C LYS A 64 10.308 2.696 9.655 1.00 0.00 C ATOM 982 O LYS A 64 9.930 2.745 10.825 1.00 0.00 O ATOM 983 CB LYS A 64 12.586 1.890 9.124 1.00 0.00 C ATOM 984 CG LYS A 64 13.440 0.953 8.288 1.00 0.00 C ATOM 985 CD LYS A 64 14.914 1.266 8.461 1.00 0.00 C ATOM 986 CE LYS A 64 15.241 2.682 8.008 1.00 0.00 C ATOM 987 NZ LYS A 64 16.691 2.988 8.119 1.00 0.00 N ATOM 0 H LYS A 64 11.425 1.139 7.128 1.00 0.00 H new ATOM 0 HA LYS A 64 10.962 0.660 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.689 2.904 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.965 1.899 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.247 -0.079 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.165 1.044 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.192 1.144 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.508 0.554 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.922 2.813 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.675 3.393 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.866 3.962 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.992 2.889 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.232 2.327 7.525 1.00 0.00 H new ATOM 1001 N TYR A 65 10.080 3.661 8.770 1.00 0.00 N ATOM 1002 CA TYR A 65 9.361 4.859 9.138 1.00 0.00 C ATOM 1003 C TYR A 65 7.898 4.537 9.420 1.00 0.00 C ATOM 1004 O TYR A 65 7.315 5.111 10.340 1.00 0.00 O ATOM 1005 CB TYR A 65 9.548 5.980 8.076 1.00 0.00 C ATOM 1006 CG TYR A 65 8.416 6.245 7.078 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.161 6.653 7.516 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.628 6.170 5.693 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.153 6.954 6.628 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.619 6.490 4.799 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.386 6.876 5.275 1.00 0.00 C ATOM 1012 OH TYR A 65 5.386 7.217 4.398 1.00 0.00 O ATOM 0 H TYR A 65 10.385 3.630 7.797 1.00 0.00 H new ATOM 0 HA TYR A 65 9.782 5.252 10.064 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.743 6.911 8.609 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.445 5.746 7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.973 6.736 8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.592 5.858 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.181 7.251 6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.799 6.437 3.735 1.00 0.00 H new ATOM 0 HH TYR A 65 4.589 6.679 4.585 1.00 0.00 H new ATOM 1022 N ALA A 66 7.263 3.683 8.601 1.00 0.00 N ATOM 1023 CA ALA A 66 5.844 3.437 8.814 1.00 0.00 C ATOM 1024 C ALA A 66 5.592 2.566 10.048 1.00 0.00 C ATOM 1025 O ALA A 66 5.071 3.056 11.045 1.00 0.00 O ATOM 1026 CB ALA A 66 5.277 2.744 7.592 1.00 0.00 C ATOM 0 H ALA A 66 7.690 3.178 7.825 1.00 0.00 H new ATOM 0 HA ALA A 66 5.356 4.397 8.979 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.214 2.555 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.413 3.380 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.795 1.798 7.437 1.00 0.00 H new ATOM 1032 N ASN A 67 6.173 1.365 10.048 1.00 0.00 N ATOM 1033 CA ASN A 67 6.246 0.491 11.222 1.00 0.00 C ATOM 1034 C ASN A 67 7.117 -0.715 10.905 1.00 0.00 C ATOM 1035 O ASN A 67 8.064 -1.043 11.620 1.00 0.00 O ATOM 1036 CB ASN A 67 4.870 -0.008 11.685 1.00 0.00 C ATOM 1037 CG ASN A 67 4.157 0.934 12.638 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.676 1.256 13.706 1.00 0.00 O ATOM 1039 ND2 ASN A 67 2.950 1.354 12.282 1.00 0.00 N ATOM 0 H ASN A 67 6.613 0.965 9.219 1.00 0.00 H new ATOM 0 HA ASN A 67 6.672 1.086 12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.240 -0.167 10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.991 -0.976 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.419 1.965 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.553 1.065 11.388 1.00 0.00 H new ATOM 1046 N TRP A 68 6.688 -1.406 9.851 1.00 0.00 N ATOM 1047 CA TRP A 68 7.278 -2.661 9.387 1.00 0.00 C ATOM 1048 C TRP A 68 8.780 -2.569 9.141 1.00 0.00 C ATOM 1049 O TRP A 68 9.266 -1.577 8.634 1.00 0.00 O ATOM 1050 CB TRP A 68 6.609 -3.104 8.077 1.00 0.00 C ATOM 1051 CG TRP A 68 5.278 -3.795 8.212 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.988 -5.047 7.751 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.060 -3.294 8.789 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.682 -5.365 8.020 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.091 -4.313 8.660 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.692 -2.102 9.412 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.788 -4.169 9.126 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.396 -1.962 9.875 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.460 -2.989 9.731 1.00 0.00 C ATOM 0 H TRP A 68 5.899 -1.101 9.281 1.00 0.00 H new ATOM 0 HA TRP A 68 7.111 -3.383 10.186 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.477 -2.225 7.446 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.291 -3.773 7.553 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.689 -5.695 7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.225 -6.245 7.781 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.407 -1.301 9.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.062 -4.961 9.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.102 -1.041 10.357 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.457 -2.847 10.105 1.00 0.00 H new ATOM 1070 N PRO A 69 9.510 -3.672 9.365 1.00 0.00 N ATOM 1071 CA PRO A 69 10.927 -3.760 9.002 1.00 0.00 C ATOM 1072 C PRO A 69 11.089 -3.648 7.484 1.00 0.00 C ATOM 1073 O PRO A 69 12.030 -3.034 6.976 1.00 0.00 O ATOM 1074 CB PRO A 69 11.353 -5.156 9.493 1.00 0.00 C ATOM 1075 CG PRO A 69 10.229 -5.644 10.348 1.00 0.00 C ATOM 1076 CD PRO A 69 8.993 -4.964 9.837 1.00 0.00 C ATOM 0 HA PRO A 69 11.529 -2.964 9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.528 -5.830 8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.283 -5.105 10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.132 -6.728 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.403 -5.401 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.522 -5.530 9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.245 -4.840 10.620 1.00 0.00 H new ATOM 1084 N THR A 70 10.119 -4.230 6.784 1.00 0.00 N ATOM 1085 CA THR A 70 10.043 -4.218 5.327 1.00 0.00 C ATOM 1086 C THR A 70 8.582 -4.070 4.887 1.00 0.00 C ATOM 1087 O THR A 70 7.903 -3.136 5.305 1.00 0.00 O ATOM 1088 CB THR A 70 10.669 -5.494 4.724 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.072 -6.663 5.302 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.171 -5.518 4.954 1.00 0.00 C ATOM 0 H THR A 70 9.348 -4.733 7.223 1.00 0.00 H new ATOM 0 HA THR A 70 10.614 -3.367 4.957 1.00 0.00 H new ATOM 0 HB THR A 70 10.480 -5.489 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.477 -7.465 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.591 -6.426 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.625 -4.647 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.376 -5.498 6.024 1.00 0.00 H new ATOM 1098 N PHE A 71 8.102 -4.949 4.015 1.00 0.00 N ATOM 1099 CA PHE A 71 6.738 -4.838 3.505 1.00 0.00 C ATOM 1100 C PHE A 71 6.140 -6.242 3.347 1.00 0.00 C ATOM 1101 O PHE A 71 6.766 -7.207 3.784 1.00 0.00 O ATOM 1102 CB PHE A 71 6.759 -4.116 2.153 1.00 0.00 C ATOM 1103 CG PHE A 71 7.489 -2.803 2.149 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.868 -2.766 2.035 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.799 -1.608 2.221 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.538 -1.566 2.001 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.468 -0.401 2.183 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.837 -0.384 2.074 1.00 0.00 C ATOM 0 H PHE A 71 8.631 -5.740 3.648 1.00 0.00 H new ATOM 0 HA PHE A 71 6.126 -4.267 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.218 -4.773 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.731 -3.945 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.424 -3.690 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.723 -1.618 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.615 -1.551 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.917 0.526 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.364 0.558 2.046 1.00 0.00 H new ATOM 1118 N PRO A 72 4.948 -6.430 2.711 1.00 0.00 N ATOM 1119 CA PRO A 72 4.088 -5.365 2.136 1.00 0.00 C ATOM 1120 C PRO A 72 3.441 -4.448 3.168 1.00 0.00 C ATOM 1121 O PRO A 72 3.190 -4.846 4.308 1.00 0.00 O ATOM 1122 CB PRO A 72 3.000 -6.137 1.385 1.00 0.00 C ATOM 1123 CG PRO A 72 2.952 -7.477 2.030 1.00 0.00 C ATOM 1124 CD PRO A 72 4.341 -7.763 2.533 1.00 0.00 C ATOM 0 HA PRO A 72 4.687 -4.697 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.037 -5.631 1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.237 -6.219 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.234 -7.487 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.634 -8.238 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.318 -8.318 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.906 -8.365 1.821 1.00 0.00 H new ATOM 1132 N GLN A 73 3.065 -3.255 2.716 1.00 0.00 N ATOM 1133 CA GLN A 73 2.324 -2.322 3.544 1.00 0.00 C ATOM 1134 C GLN A 73 1.391 -1.470 2.694 1.00 0.00 C ATOM 1135 O GLN A 73 1.755 -0.989 1.621 1.00 0.00 O ATOM 1136 CB GLN A 73 3.264 -1.437 4.347 1.00 0.00 C ATOM 1137 CG GLN A 73 4.136 -0.529 3.524 1.00 0.00 C ATOM 1138 CD GLN A 73 5.084 0.288 4.391 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.759 1.191 3.910 1.00 0.00 O ATOM 1140 NE2 GLN A 73 5.156 -0.039 5.672 1.00 0.00 N ATOM 0 H GLN A 73 3.265 -2.915 1.775 1.00 0.00 H new ATOM 0 HA GLN A 73 1.723 -2.903 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.672 -0.827 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.903 -2.073 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.713 -1.124 2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.509 0.144 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.579 -0.796 6.038 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.788 0.466 6.293 1.00 0.00 H new ATOM 1149 N LEU A 74 0.166 -1.355 3.166 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.886 -0.631 2.464 1.00 0.00 C ATOM 1151 C LEU A 74 -0.975 0.796 2.988 1.00 0.00 C ATOM 1152 O LEU A 74 -0.890 1.025 4.198 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.213 -1.394 2.629 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.457 -0.845 1.904 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.991 0.416 2.561 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.140 -0.573 0.445 1.00 0.00 C ATOM 0 H LEU A 74 -0.134 -1.762 4.052 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.660 -0.568 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.054 -2.418 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.441 -1.442 3.694 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.233 -1.608 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.867 0.767 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.268 0.199 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.222 1.188 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.028 -0.186 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.337 0.161 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.827 -1.499 -0.038 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.150 1.742 2.075 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.262 3.144 2.427 1.00 0.00 C ATOM 1170 C TRP A 75 -2.520 3.755 1.828 1.00 0.00 C ATOM 1171 O TRP A 75 -2.734 3.728 0.615 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.040 3.915 1.941 1.00 0.00 C ATOM 1173 CG TRP A 75 1.228 3.453 2.571 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.913 2.298 2.332 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.924 4.128 3.604 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.019 2.238 3.141 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.046 3.358 3.931 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.705 5.328 4.275 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.951 3.757 4.906 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.599 5.723 5.243 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.710 4.941 5.548 1.00 0.00 C ATOM 0 H TRP A 75 -1.218 1.556 1.074 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.321 3.212 3.513 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.040 3.813 0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.179 4.975 2.152 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.627 1.544 1.614 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.707 1.485 3.153 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.846 5.939 4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.814 3.154 5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.437 6.650 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.398 5.277 6.310 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.307 4.376 2.678 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.494 5.075 2.239 1.00 0.00 C ATOM 1194 C VAL A 76 -4.240 6.569 2.311 1.00 0.00 C ATOM 1195 O VAL A 76 -4.027 7.099 3.398 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.696 4.706 3.135 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.974 5.379 2.664 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.866 3.204 3.177 1.00 0.00 C ATOM 0 H VAL A 76 -3.145 4.411 3.684 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.725 4.786 1.214 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.492 5.069 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.797 5.095 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.846 6.461 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.197 5.064 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.716 2.952 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.042 2.829 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.963 2.747 3.582 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.221 7.229 1.152 1.00 0.00 N ATOM 1209 CA ASP A 77 -3.941 8.666 1.083 1.00 0.00 C ATOM 1210 C ASP A 77 -2.615 8.984 1.777 1.00 0.00 C ATOM 1211 O ASP A 77 -2.394 10.053 2.349 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.087 9.419 1.722 1.00 0.00 C ATOM 1213 CG ASP A 77 -4.903 10.923 1.718 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -4.594 11.479 0.648 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.105 11.561 2.773 1.00 0.00 O ATOM 0 H ASP A 77 -4.396 6.792 0.247 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.849 8.976 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.010 9.173 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.205 9.079 2.751 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.732 8.027 1.689 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.411 8.157 2.268 1.00 0.00 C ATOM 1222 C GLY A 78 -0.377 7.906 3.763 1.00 0.00 C ATOM 1223 O GLY A 78 0.532 8.368 4.451 1.00 0.00 O ATOM 0 H GLY A 78 -1.900 7.138 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.263 7.457 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.032 9.159 2.067 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.294 7.075 4.248 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.275 6.659 5.644 1.00 0.00 C ATOM 1229 C GLU A 79 -1.315 5.144 5.759 1.00 0.00 C ATOM 1230 O GLU A 79 -2.067 4.478 5.054 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.422 7.276 6.441 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.331 8.785 6.568 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.360 9.343 7.521 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -4.571 9.182 7.266 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -2.961 9.923 8.552 1.00 0.00 O ATOM 0 H GLU A 79 -2.056 6.679 3.697 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.340 7.022 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.366 7.016 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.438 6.836 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.334 9.059 6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.465 9.239 5.586 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.413 4.613 6.569 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.234 3.178 6.695 1.00 0.00 C ATOM 1244 C LEU A 80 -1.415 2.498 7.377 1.00 0.00 C ATOM 1245 O LEU A 80 -1.736 2.792 8.528 1.00 0.00 O ATOM 1246 CB LEU A 80 1.042 2.891 7.490 1.00 0.00 C ATOM 1247 CG LEU A 80 1.300 1.417 7.788 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.601 0.649 6.515 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.429 1.265 8.787 1.00 0.00 C ATOM 0 H LEU A 80 0.213 5.164 7.156 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.160 2.771 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.893 3.289 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.993 3.434 8.434 1.00 0.00 H new ATOM 0 HG LEU A 80 0.395 0.997 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.781 -0.399 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.752 0.724 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.486 1.069 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.598 0.207 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.338 1.707 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.164 1.772 9.715 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.894 1.443 6.740 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.846 0.543 7.363 1.00 0.00 C ATOM 1263 C VAL A 81 -2.146 -0.778 7.715 1.00 0.00 C ATOM 1264 O VAL A 81 -2.161 -1.223 8.862 1.00 0.00 O ATOM 1265 CB VAL A 81 -4.054 0.267 6.431 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -5.012 -0.733 7.057 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.798 1.554 6.101 1.00 0.00 C ATOM 0 H VAL A 81 -1.637 1.189 5.786 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.223 1.016 8.270 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.660 -0.157 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.849 -0.907 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.490 -1.673 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.385 -0.337 8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.640 1.330 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.165 2.008 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.122 2.246 5.599 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.515 -1.381 6.710 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.795 -2.637 6.895 1.00 0.00 C ATOM 1279 C GLY A 82 -0.924 -3.504 5.659 1.00 0.00 C ATOM 1280 O GLY A 82 -1.978 -3.511 5.045 1.00 0.00 O ATOM 0 H GLY A 82 -1.488 -1.018 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.257 -2.435 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.190 -3.166 7.762 1.00 0.00 H new ATOM 1284 N GLY A 83 0.181 -4.061 5.178 1.00 0.00 N ATOM 1285 CA GLY A 83 0.152 -4.706 3.873 1.00 0.00 C ATOM 1286 C GLY A 83 -0.311 -6.152 3.859 1.00 0.00 C ATOM 1287 O GLY A 83 -1.229 -6.492 3.129 1.00 0.00 O ATOM 0 H GLY A 83 1.082 -4.080 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.501 -4.129 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.153 -4.661 3.444 1.00 0.00 H new ATOM 1291 N CYS A 84 0.415 -7.037 4.526 1.00 0.00 N ATOM 1292 CA CYS A 84 0.130 -8.465 4.392 1.00 0.00 C ATOM 1293 C CYS A 84 -1.098 -8.897 5.198 1.00 0.00 C ATOM 1294 O CYS A 84 -2.110 -9.308 4.632 1.00 0.00 O ATOM 1295 CB CYS A 84 1.361 -9.283 4.801 1.00 0.00 C ATOM 1296 SG CYS A 84 2.025 -8.859 6.429 1.00 0.00 S ATOM 0 H CYS A 84 1.187 -6.805 5.151 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.102 -8.656 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.100 -10.341 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.142 -9.141 4.054 1.00 0.00 H new ATOM 0 HG CYS A 84 3.059 -9.604 6.683 1.00 0.00 H new ATOM 1302 N ASP A 85 -0.978 -8.845 6.514 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.041 -9.282 7.413 1.00 0.00 C ATOM 1304 C ASP A 85 -3.177 -8.280 7.425 1.00 0.00 C ATOM 1305 O ASP A 85 -4.349 -8.652 7.429 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.465 -9.436 8.825 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.423 -10.066 9.820 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.526 -9.528 10.038 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.055 -11.095 10.414 1.00 0.00 O ATOM 0 H ASP A 85 -0.145 -8.500 6.991 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.434 -10.237 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.561 -10.043 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.169 -8.454 9.194 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.812 -7.022 7.592 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.786 -5.969 7.807 1.00 0.00 C ATOM 1316 C ILE A 86 -4.740 -5.809 6.625 1.00 0.00 C ATOM 1317 O ILE A 86 -5.939 -5.673 6.829 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.104 -4.629 8.111 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.123 -4.775 9.279 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.153 -3.583 8.443 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.771 -5.217 10.572 1.00 0.00 C ATOM 0 H ILE A 86 -1.843 -6.704 7.583 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.374 -6.271 8.673 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.546 -4.314 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.352 -5.496 9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.623 -3.820 9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.664 -2.633 8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.826 -3.461 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.723 -3.903 9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.012 -5.297 11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.522 -4.486 10.871 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.247 -6.187 10.428 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.231 -5.865 5.394 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.104 -5.766 4.226 1.00 0.00 C ATOM 1335 C VAL A 87 -6.149 -6.873 4.237 1.00 0.00 C ATOM 1336 O VAL A 87 -7.337 -6.598 4.122 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.330 -5.812 2.890 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.287 -5.918 1.715 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.480 -4.571 2.726 1.00 0.00 C ATOM 0 H VAL A 87 -3.239 -5.976 5.182 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.590 -4.793 4.295 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.688 -6.692 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.719 -5.949 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.879 -6.828 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.950 -5.053 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.942 -4.621 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.119 -3.688 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.765 -4.508 3.547 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.713 -8.108 4.464 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.642 -9.227 4.576 1.00 0.00 C ATOM 1351 C ILE A 88 -7.606 -9.017 5.738 1.00 0.00 C ATOM 1352 O ILE A 88 -8.814 -9.178 5.585 1.00 0.00 O ATOM 1353 CB ILE A 88 -5.898 -10.571 4.746 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.110 -10.899 3.476 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -6.874 -11.696 5.077 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -5.986 -11.073 2.251 1.00 0.00 C ATOM 0 H ILE A 88 -4.730 -8.358 4.573 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.210 -9.268 3.646 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.200 -10.476 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.390 -10.102 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.539 -11.813 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.326 -12.631 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.395 -11.464 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.600 -11.797 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.362 -11.304 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.689 -11.889 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.538 -10.152 2.064 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.073 -8.641 6.891 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.908 -8.400 8.062 1.00 0.00 C ATOM 1370 C GLU A 89 -8.933 -7.296 7.806 1.00 0.00 C ATOM 1371 O GLU A 89 -10.128 -7.511 7.977 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.046 -8.034 9.272 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.857 -7.691 10.513 1.00 0.00 C ATOM 1374 CD GLU A 89 -6.984 -7.369 11.709 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.123 -6.472 11.607 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.172 -8.006 12.767 1.00 0.00 O ATOM 0 H GLU A 89 -6.075 -8.497 7.042 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.448 -9.324 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.382 -8.868 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.414 -7.184 9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.501 -6.838 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.509 -8.529 10.759 1.00 0.00 H new ATOM 1383 N MET A 90 -8.463 -6.123 7.393 1.00 0.00 N ATOM 1384 CA MET A 90 -9.338 -4.980 7.120 1.00 0.00 C ATOM 1385 C MET A 90 -10.344 -5.304 6.027 1.00 0.00 C ATOM 1386 O MET A 90 -11.514 -4.948 6.131 1.00 0.00 O ATOM 1387 CB MET A 90 -8.520 -3.740 6.759 1.00 0.00 C ATOM 1388 CG MET A 90 -7.663 -3.233 7.904 1.00 0.00 C ATOM 1389 SD MET A 90 -8.642 -2.780 9.349 1.00 0.00 S ATOM 1390 CE MET A 90 -7.345 -2.281 10.480 1.00 0.00 C ATOM 0 H MET A 90 -7.473 -5.935 7.238 1.00 0.00 H new ATOM 0 HA MET A 90 -9.896 -4.764 8.031 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.878 -3.971 5.909 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.197 -2.947 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.943 -4.002 8.183 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.091 -2.367 7.570 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.787 -1.970 11.427 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.670 -3.119 10.653 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.787 -1.449 10.050 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.905 -6.087 5.060 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.776 -6.623 4.021 1.00 0.00 C ATOM 1402 C TYR A 91 -11.926 -7.413 4.632 1.00 0.00 C ATOM 1403 O TYR A 91 -13.091 -7.158 4.336 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.912 -7.524 3.139 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.644 -8.548 2.315 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.415 -8.199 1.223 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.516 -9.888 2.631 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.053 -9.154 0.468 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.140 -10.857 1.887 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.913 -10.492 0.802 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.537 -11.465 0.051 1.00 0.00 O ATOM 0 H TYR A 91 -8.930 -6.373 4.969 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.220 -5.817 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.335 -6.891 2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.198 -8.045 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.518 -7.157 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.914 -10.177 3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.658 -8.864 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.028 -11.899 2.148 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.332 -12.348 0.424 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.588 -8.334 5.517 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.592 -9.131 6.213 1.00 0.00 C ATOM 1423 C GLN A 92 -13.469 -8.236 7.091 1.00 0.00 C ATOM 1424 O GLN A 92 -14.686 -8.403 7.150 1.00 0.00 O ATOM 1425 CB GLN A 92 -11.919 -10.218 7.058 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.027 -11.153 6.250 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.355 -12.205 7.111 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.629 -11.884 8.057 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.587 -13.465 6.790 1.00 0.00 N ATOM 0 H GLN A 92 -10.625 -8.551 5.774 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.227 -9.614 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.323 -9.744 7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.688 -10.806 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.624 -11.644 5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.264 -10.568 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.194 -13.687 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.160 -14.216 7.332 1.00 0.00 H new ATOM 1438 N ARG A 93 -12.834 -7.269 7.753 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.533 -6.318 8.609 1.00 0.00 C ATOM 1440 C ARG A 93 -14.500 -5.461 7.790 1.00 0.00 C ATOM 1441 O ARG A 93 -15.491 -4.952 8.312 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.539 -5.386 9.316 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.442 -6.089 10.101 1.00 0.00 C ATOM 1444 CD ARG A 93 -11.994 -7.036 11.157 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.867 -6.356 12.116 1.00 0.00 N ATOM 1446 CZ ARG A 93 -12.471 -5.400 12.962 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -11.192 -5.053 13.039 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.361 -4.810 13.748 1.00 0.00 N ATOM 0 H ARG A 93 -11.825 -7.125 7.710 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.087 -6.895 9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.074 -4.742 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.093 -4.738 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.809 -6.648 9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.809 -5.343 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.550 -7.836 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.166 -7.503 11.691 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.849 -6.632 12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.501 -5.517 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.900 -4.322 13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.342 -5.086 13.705 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.065 -4.080 14.396 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.110 -5.171 6.555 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.845 -4.226 5.743 1.00 0.00 C ATOM 1464 C GLY A 94 -14.291 -2.818 5.860 1.00 0.00 C ATOM 1465 O GLY A 94 -14.477 -1.999 4.972 1.00 0.00 O ATOM 0 H GLY A 94 -13.292 -5.577 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.812 -4.542 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.893 -4.229 6.044 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.624 -2.530 6.966 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.064 -1.202 7.214 1.00 0.00 C ATOM 1471 C GLU A 95 -12.075 -0.763 6.126 1.00 0.00 C ATOM 1472 O GLU A 95 -11.901 0.431 5.893 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.407 -1.148 8.591 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.395 -1.362 9.725 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.763 -1.225 11.094 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.195 -0.154 11.386 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.859 -2.178 11.895 1.00 0.00 O ATOM 0 H GLU A 95 -13.454 -3.201 7.715 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.895 -0.497 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.628 -1.908 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.919 -0.181 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.208 -0.641 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.837 -2.354 9.632 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.431 -1.724 5.470 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.459 -1.423 4.411 1.00 0.00 C ATOM 1486 C LEU A 96 -11.141 -0.661 3.288 1.00 0.00 C ATOM 1487 O LEU A 96 -10.801 0.478 3.002 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.832 -2.727 3.878 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.695 -2.592 2.841 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.996 -3.926 2.672 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -9.209 -2.141 1.480 1.00 0.00 C ATOM 0 H LEU A 96 -11.561 -2.720 5.650 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.663 -0.802 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.448 -3.289 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.626 -3.326 3.432 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.006 -1.836 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.195 -3.827 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.577 -4.241 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.713 -4.671 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.374 -2.060 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.927 -2.869 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.695 -1.170 1.578 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.157 -1.271 2.708 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.944 -0.618 1.667 1.00 0.00 C ATOM 1505 C GLN A 97 -13.601 0.656 2.185 1.00 0.00 C ATOM 1506 O GLN A 97 -13.878 1.574 1.421 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.991 -1.574 1.101 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.809 -2.273 2.163 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.754 -3.302 1.591 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.690 -2.971 0.868 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.496 -4.564 1.892 1.00 0.00 N ATOM 0 H GLN A 97 -12.461 -2.218 2.937 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.264 -0.338 0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.661 -1.019 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.492 -2.323 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.138 -2.757 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.381 -1.532 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.707 -4.793 2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.086 -5.308 1.519 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.854 0.700 3.486 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.491 1.852 4.110 1.00 0.00 C ATOM 1522 C GLN A 98 -13.602 3.085 4.019 1.00 0.00 C ATOM 1523 O GLN A 98 -13.999 4.108 3.462 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.822 1.550 5.576 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.911 0.502 5.770 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.272 0.913 5.225 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -18.219 0.127 5.258 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.398 2.147 4.757 1.00 0.00 N ATOM 0 H GLN A 98 -13.626 -0.054 4.134 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.416 2.057 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.916 1.213 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.132 2.474 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.601 -0.423 5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.008 0.286 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -16.592 2.772 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.301 2.471 4.410 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.384 2.966 4.517 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.429 4.057 4.444 1.00 0.00 C ATOM 1539 C LEU A 99 -10.937 4.283 3.011 1.00 0.00 C ATOM 1540 O LEU A 99 -10.706 5.425 2.602 1.00 0.00 O ATOM 1541 CB LEU A 99 -10.291 3.859 5.465 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.634 2.472 5.518 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.765 2.216 4.305 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -8.824 2.317 6.795 1.00 0.00 C ATOM 0 H LEU A 99 -12.033 2.125 4.976 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.935 4.980 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.514 4.594 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.682 4.086 6.457 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.432 1.729 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.318 1.225 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.374 2.272 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.976 2.967 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.365 1.329 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.046 3.079 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.480 2.432 7.658 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.851 3.206 2.228 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.476 3.326 0.824 1.00 0.00 C ATOM 1558 C ILE A 100 -11.521 4.109 0.038 1.00 0.00 C ATOM 1559 O ILE A 100 -11.163 4.974 -0.743 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.252 1.954 0.139 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.028 1.240 0.726 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.093 2.123 -1.369 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.721 1.978 0.510 1.00 0.00 C ATOM 0 H ILE A 100 -11.034 2.252 2.540 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.528 3.865 0.818 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.131 1.338 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.181 1.099 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.951 0.248 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.937 1.148 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.993 2.579 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.235 2.763 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.904 1.409 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.542 2.096 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.776 2.960 0.979 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.803 3.767 0.194 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.850 4.412 -0.587 1.00 0.00 C ATOM 1577 C LYS A 101 -13.833 5.916 -0.398 1.00 0.00 C ATOM 1578 O LYS A 101 -13.849 6.665 -1.365 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.243 3.905 -0.220 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.297 4.595 -1.058 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.722 4.214 -0.692 1.00 0.00 C ATOM 1582 CE LYS A 101 -18.126 4.765 0.667 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.561 4.511 0.967 1.00 0.00 N ATOM 0 H LYS A 101 -13.133 3.056 0.846 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.640 4.161 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.296 2.827 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.435 4.086 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.182 5.674 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.126 4.357 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.405 4.590 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.817 3.128 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.508 4.310 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.934 5.838 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.795 4.902 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.153 4.966 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.740 3.486 0.966 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.850 6.346 0.850 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.890 7.769 1.159 1.00 0.00 C ATOM 1599 C GLU A 102 -12.723 8.490 0.494 1.00 0.00 C ATOM 1600 O GLU A 102 -12.894 9.546 -0.113 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.856 7.989 2.674 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.882 9.454 3.072 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.872 9.660 4.571 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -13.905 8.661 5.321 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.849 10.831 5.009 1.00 0.00 O ATOM 0 H GLU A 102 -13.837 5.735 1.666 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.821 8.180 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.708 7.482 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.957 7.526 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.020 9.959 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.772 9.923 2.652 1.00 0.00 H new ATOM 1612 N THR A 103 -11.546 7.896 0.590 1.00 0.00 N ATOM 1613 CA THR A 103 -10.357 8.458 -0.018 1.00 0.00 C ATOM 1614 C THR A 103 -10.398 8.347 -1.546 1.00 0.00 C ATOM 1615 O THR A 103 -10.147 9.318 -2.255 1.00 0.00 O ATOM 1616 CB THR A 103 -9.104 7.748 0.516 1.00 0.00 C ATOM 1617 OG1 THR A 103 -9.103 7.777 1.950 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.846 8.411 -0.008 1.00 0.00 C ATOM 0 H THR A 103 -11.390 7.019 1.087 1.00 0.00 H new ATOM 0 HA THR A 103 -10.321 9.515 0.245 1.00 0.00 H new ATOM 0 HB THR A 103 -9.121 6.714 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.623 7.020 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.971 7.892 0.383 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.838 8.366 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.823 9.453 0.313 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.676 7.151 -2.042 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.690 6.897 -3.474 1.00 0.00 C ATOM 1628 C ALA A 104 -11.750 7.731 -4.179 1.00 0.00 C ATOM 1629 O ALA A 104 -11.495 8.281 -5.238 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.916 5.420 -3.757 1.00 0.00 C ATOM 0 H ALA A 104 -10.896 6.336 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.715 7.187 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.923 5.253 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.115 4.836 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.873 5.111 -3.336 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.949 7.777 -3.616 1.00 0.00 N ATOM 1637 CA ALA A 105 -14.067 8.487 -4.233 1.00 0.00 C ATOM 1638 C ALA A 105 -13.773 9.970 -4.415 1.00 0.00 C ATOM 1639 O ALA A 105 -14.130 10.561 -5.427 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.332 8.310 -3.413 1.00 0.00 C ATOM 0 H ALA A 105 -13.176 7.329 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.213 8.052 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.153 8.846 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.579 7.250 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -15.174 8.706 -2.410 1.00 0.00 H new ATOM 1646 N LYS A 106 -13.162 10.589 -3.422 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.879 12.011 -3.504 1.00 0.00 C ATOM 1648 C LYS A 106 -11.732 12.286 -4.478 1.00 0.00 C ATOM 1649 O LYS A 106 -11.684 13.346 -5.100 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.659 12.621 -2.105 1.00 0.00 C ATOM 1651 CG LYS A 106 -11.529 12.012 -1.292 1.00 0.00 C ATOM 1652 CD LYS A 106 -10.152 12.532 -1.684 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.893 13.966 -1.213 1.00 0.00 C ATOM 1654 NZ LYS A 106 -10.783 14.976 -1.843 1.00 0.00 N ATOM 0 H LYS A 106 -12.855 10.138 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.753 12.517 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.466 13.688 -2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.584 12.524 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.700 12.218 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.548 10.929 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.390 11.875 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.049 12.488 -2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.017 14.011 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.856 14.226 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.303 15.898 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.007 14.683 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.663 15.054 -1.294 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.837 11.312 -4.661 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.747 11.474 -5.626 1.00 0.00 C ATOM 1670 C TYR A 107 -10.153 11.032 -7.031 1.00 0.00 C ATOM 1671 O TYR A 107 -10.017 11.798 -7.984 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.480 10.731 -5.183 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.815 11.335 -3.970 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -7.392 12.657 -3.986 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.623 10.599 -2.806 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -6.796 13.226 -2.883 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -7.033 11.156 -1.701 1.00 0.00 C ATOM 1678 CZ TYR A 107 -6.618 12.477 -1.742 1.00 0.00 C ATOM 1679 OH TYR A 107 -6.030 13.057 -0.644 1.00 0.00 O ATOM 0 H TYR A 107 -10.843 10.421 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 107 -9.525 12.541 -5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.735 9.693 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.769 10.720 -6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.533 13.249 -4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.945 9.569 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.470 14.255 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.893 10.569 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 107 -5.743 12.358 -0.020 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.772 9.860 -7.136 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.337 9.394 -8.397 1.00 0.00 C ATOM 1691 C LYS A 108 -12.632 10.148 -8.664 1.00 0.00 C ATOM 1692 O LYS A 108 -12.959 11.099 -7.952 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.626 7.869 -8.344 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.433 6.903 -8.445 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.447 6.978 -7.283 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.403 8.061 -7.482 1.00 0.00 C ATOM 1697 NZ LYS A 108 -7.609 7.838 -8.718 1.00 0.00 N ATOM 0 H LYS A 108 -10.895 9.213 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.619 9.579 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.146 7.660 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.317 7.632 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.814 5.884 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.897 7.107 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.992 7.168 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.950 6.015 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.893 9.033 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.736 8.086 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.669 8.268 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.505 6.817 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.097 8.273 -9.527 1.00 0.00 H new ATOM 1711 N SER A 109 -13.472 9.566 -9.489 1.00 0.00 N ATOM 1712 CA SER A 109 -14.843 10.017 -9.589 1.00 0.00 C ATOM 1713 C SER A 109 -15.639 9.521 -8.377 1.00 0.00 C ATOM 1714 O SER A 109 -15.057 9.066 -7.397 1.00 0.00 O ATOM 1715 CB SER A 109 -15.446 9.540 -10.911 1.00 0.00 C ATOM 1716 OG SER A 109 -15.118 8.182 -11.175 1.00 0.00 O ATOM 0 H SER A 109 -13.233 8.783 -10.098 1.00 0.00 H new ATOM 0 HA SER A 109 -14.882 11.106 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.530 9.654 -10.880 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.083 10.168 -11.725 1.00 0.00 H new ATOM 0 HG SER A 109 -15.533 7.608 -10.498 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.955 9.624 -8.437 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.829 9.211 -7.330 1.00 0.00 C ATOM 1724 C GLU A 110 -17.858 7.680 -7.137 1.00 0.00 C ATOM 1725 O GLU A 110 -18.904 7.038 -7.260 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.228 9.789 -7.554 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.823 9.460 -8.911 1.00 0.00 C ATOM 1728 CD GLU A 110 -21.141 10.163 -9.139 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.160 11.413 -9.146 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -22.164 9.475 -9.309 1.00 0.00 O ATOM 0 H GLU A 110 -17.455 9.993 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.423 9.611 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.893 9.414 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.185 10.872 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.120 9.746 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.969 8.383 -8.991 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.683 7.100 -6.920 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.524 5.655 -6.800 1.00 0.00 C ATOM 1739 C GLU A 111 -17.069 5.116 -5.470 1.00 0.00 C ATOM 1740 O GLU A 111 -16.712 5.593 -4.393 1.00 0.00 O ATOM 1741 CB GLU A 111 -15.045 5.304 -6.964 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.496 5.737 -8.313 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.290 5.169 -9.470 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.289 3.935 -9.661 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.957 5.954 -10.174 1.00 0.00 O ATOM 0 H GLU A 111 -15.811 7.620 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 111 -17.109 5.179 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.470 5.781 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.914 4.228 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.502 6.825 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.457 5.419 -8.398 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.989 4.140 -5.547 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.648 3.551 -4.391 1.00 0.00 C ATOM 1754 C PRO A 112 -18.005 2.248 -3.904 1.00 0.00 C ATOM 1755 O PRO A 112 -18.650 1.197 -3.899 1.00 0.00 O ATOM 1756 CB PRO A 112 -20.031 3.256 -4.926 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.840 2.967 -6.382 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.517 3.567 -6.791 1.00 0.00 C ATOM 0 HA PRO A 112 -18.604 4.216 -3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.478 2.405 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.699 4.105 -4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.847 1.892 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.653 3.395 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.845 2.812 -7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.645 4.330 -7.559 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.715 2.296 -3.665 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.921 1.096 -3.366 1.00 0.00 C ATOM 1768 C ASP A 113 -16.535 0.249 -2.251 1.00 0.00 C ATOM 1769 O ASP A 113 -16.862 -0.919 -2.460 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.499 1.491 -2.958 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.749 2.225 -4.052 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -14.342 2.469 -5.127 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.572 2.565 -3.830 1.00 0.00 O ATOM 0 H ASP A 113 -16.174 3.161 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.906 0.498 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.544 2.122 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.944 0.594 -2.684 1.00 0.00 H new