USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 809 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 33 GLN : amide:sc= 0.322 K(o=0.69,f=-0.27) USER MOD Set 1.2: A 59 TYR OH : rot 176:sc= 0.366 USER MOD Single : A 9 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.8) USER MOD Single : A 10 MET CE :methyl -133:sc= -6.85! (180deg=-12!) USER MOD Single : A 13 MET CE :methyl -141:sc= -4.55! (180deg=-6.84!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -129:sc= 0.0935 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.5!) USER MOD Single : A 20 MET CE :methyl -146:sc= -2.61! (180deg=-4.36!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.108 (180deg=-0.0791) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -0.167 (180deg=-0.858) USER MOD Single : A 29 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.0031) USER MOD Single : A 31 SER OG : rot 180:sc= -0.524 USER MOD Single : A 34 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.027) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 105:sc= -6.3! USER MOD Single : A 43 SER OG : rot 180:sc= -0.275 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.718 F(o=-2.7,f=-0.72) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.5!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HE2:sc= -2.73! C(o=-4.2!,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.29 F(o=-1.8,f=-0.29) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -1.28 USER MOD Single : A 98 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 175:sc= -5.76! (180deg=-6.2!) USER MOD Single : A 106 SER OG : rot -49:sc= 0.92 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.13 K(o=1.1,f=-0.19) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.348 -14.035 1.185 1.00 0.00 N ATOM 67 CA GLU A 8 -5.696 -12.862 1.970 1.00 0.00 C ATOM 68 C GLU A 8 -5.641 -11.605 1.099 1.00 0.00 C ATOM 69 O GLU A 8 -4.560 -11.102 0.796 1.00 0.00 O ATOM 70 CB GLU A 8 -4.779 -12.725 3.187 1.00 0.00 C ATOM 71 CG GLU A 8 -5.481 -13.208 4.458 1.00 0.00 C ATOM 72 CD GLU A 8 -6.351 -12.102 5.058 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.760 -11.174 5.652 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.588 -12.209 4.909 1.00 0.00 O ATOM 0 HA GLU A 8 -6.716 -12.983 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.869 -13.303 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.479 -11.684 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.098 -14.077 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.738 -13.528 5.189 1.00 0.00 H new ATOM 81 N GLN A 9 -6.820 -11.135 0.720 1.00 0.00 N ATOM 82 CA GLN A 9 -6.920 -9.947 -0.111 1.00 0.00 C ATOM 83 C GLN A 9 -7.184 -8.714 0.756 1.00 0.00 C ATOM 84 O GLN A 9 -7.919 -8.788 1.740 1.00 0.00 O ATOM 85 CB GLN A 9 -8.007 -10.111 -1.175 1.00 0.00 C ATOM 86 CG GLN A 9 -7.913 -11.483 -1.846 1.00 0.00 C ATOM 87 CD GLN A 9 -9.246 -12.230 -1.756 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.317 -11.645 -1.781 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.121 -13.549 -1.649 1.00 0.00 N ATOM 0 H GLN A 9 -7.714 -11.555 0.973 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.970 -9.808 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.989 -9.992 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.908 -9.327 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.630 -11.362 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.129 -12.072 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.194 -13.974 -1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.952 -14.136 -1.582 1.00 0.00 H new ATOM 98 N MET A 10 -6.571 -7.609 0.359 1.00 0.00 N ATOM 99 CA MET A 10 -6.731 -6.361 1.088 1.00 0.00 C ATOM 100 C MET A 10 -6.835 -5.175 0.128 1.00 0.00 C ATOM 101 O MET A 10 -6.040 -5.053 -0.803 1.00 0.00 O ATOM 102 CB MET A 10 -5.536 -6.159 2.022 1.00 0.00 C ATOM 103 CG MET A 10 -5.636 -4.822 2.758 1.00 0.00 C ATOM 104 SD MET A 10 -4.971 -4.981 4.407 1.00 0.00 S ATOM 105 CE MET A 10 -5.386 -3.375 5.066 1.00 0.00 C ATOM 0 H MET A 10 -5.963 -7.551 -0.458 1.00 0.00 H new ATOM 0 HA MET A 10 -7.652 -6.416 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.493 -6.974 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.611 -6.194 1.447 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.090 -4.054 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.677 -4.501 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.517 -2.954 5.572 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.688 -2.715 4.253 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.207 -3.474 5.776 1.00 0.00 H new ATOM 115 N GLU A 11 -7.822 -4.330 0.387 1.00 0.00 N ATOM 116 CA GLU A 11 -8.040 -3.157 -0.443 1.00 0.00 C ATOM 117 C GLU A 11 -8.598 -2.008 0.399 1.00 0.00 C ATOM 118 O GLU A 11 -9.643 -2.148 1.033 1.00 0.00 O ATOM 119 CB GLU A 11 -8.970 -3.480 -1.614 1.00 0.00 C ATOM 120 CG GLU A 11 -10.257 -4.147 -1.125 1.00 0.00 C ATOM 121 CD GLU A 11 -11.278 -4.265 -2.258 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.830 -4.457 -3.409 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.485 -4.160 -1.948 1.00 0.00 O ATOM 0 H GLU A 11 -8.480 -4.434 1.160 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.081 -2.846 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.213 -2.564 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.460 -4.138 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.030 -5.137 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.683 -3.567 -0.306 1.00 0.00 H new ATOM 130 N GLY A 12 -7.876 -0.897 0.378 1.00 0.00 N ATOM 131 CA GLY A 12 -8.285 0.276 1.132 1.00 0.00 C ATOM 132 C GLY A 12 -7.470 1.504 0.721 1.00 0.00 C ATOM 133 O GLY A 12 -6.398 1.373 0.133 1.00 0.00 O ATOM 0 H GLY A 12 -7.010 -0.784 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.345 0.467 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.157 0.090 2.198 1.00 0.00 H new ATOM 137 N MET A 13 -8.010 2.669 1.046 1.00 0.00 N ATOM 138 CA MET A 13 -7.347 3.919 0.718 1.00 0.00 C ATOM 139 C MET A 13 -5.960 3.989 1.361 1.00 0.00 C ATOM 140 O MET A 13 -5.823 3.819 2.571 1.00 0.00 O ATOM 141 CB MET A 13 -8.196 5.093 1.209 1.00 0.00 C ATOM 142 CG MET A 13 -9.120 5.603 0.101 1.00 0.00 C ATOM 143 SD MET A 13 -8.334 6.940 -0.782 1.00 0.00 S ATOM 144 CE MET A 13 -8.103 6.166 -2.374 1.00 0.00 C ATOM 0 H MET A 13 -8.900 2.774 1.533 1.00 0.00 H new ATOM 0 HA MET A 13 -7.229 3.972 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.790 4.782 2.068 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.546 5.901 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.358 4.792 -0.587 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.062 5.944 0.530 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.138 6.461 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.133 5.082 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.897 6.482 -3.051 1.00 0.00 H new ATOM 154 N LEU A 14 -4.966 4.239 0.521 1.00 0.00 N ATOM 155 CA LEU A 14 -3.594 4.333 0.992 1.00 0.00 C ATOM 156 C LEU A 14 -2.843 5.373 0.158 1.00 0.00 C ATOM 157 O LEU A 14 -3.227 5.660 -0.975 1.00 0.00 O ATOM 158 CB LEU A 14 -2.933 2.953 0.994 1.00 0.00 C ATOM 159 CG LEU A 14 -2.580 2.381 2.369 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.819 2.293 3.261 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.872 1.031 2.236 1.00 0.00 C ATOM 0 H LEU A 14 -5.083 4.379 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.569 4.675 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.599 2.252 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.021 3.008 0.400 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.882 3.064 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.540 1.883 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.242 3.289 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.559 1.644 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.632 0.647 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.526 0.326 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.953 1.157 1.664 1.00 0.00 H new ATOM 173 N CYS A 15 -1.787 5.909 0.751 1.00 0.00 N ATOM 174 CA CYS A 15 -0.979 6.911 0.077 1.00 0.00 C ATOM 175 C CYS A 15 0.257 6.220 -0.504 1.00 0.00 C ATOM 176 O CYS A 15 1.248 6.020 0.197 1.00 0.00 O ATOM 177 CB CYS A 15 -0.602 8.059 1.015 1.00 0.00 C ATOM 178 SG CYS A 15 -1.007 9.664 0.235 1.00 0.00 S ATOM 0 H CYS A 15 -1.472 5.668 1.691 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.555 7.363 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.138 7.959 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.462 8.016 1.246 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.685 10.632 1.041 1.00 0.00 H new ATOM 184 N ARG A 16 0.158 5.875 -1.780 1.00 0.00 N ATOM 185 CA ARG A 16 1.255 5.211 -2.463 1.00 0.00 C ATOM 186 C ARG A 16 2.212 6.246 -3.059 1.00 0.00 C ATOM 187 O ARG A 16 1.804 7.086 -3.859 1.00 0.00 O ATOM 188 CB ARG A 16 0.739 4.301 -3.579 1.00 0.00 C ATOM 189 CG ARG A 16 1.897 3.613 -4.305 1.00 0.00 C ATOM 190 CD ARG A 16 1.674 3.616 -5.818 1.00 0.00 C ATOM 191 NE ARG A 16 1.961 4.959 -6.370 1.00 0.00 N ATOM 192 CZ ARG A 16 2.088 5.223 -7.677 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.956 4.238 -8.575 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.349 6.472 -8.086 1.00 0.00 N ATOM 0 H ARG A 16 -0.665 6.043 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 16 1.783 4.602 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.070 3.549 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.156 4.886 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.832 4.122 -4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.995 2.587 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.318 2.875 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.645 3.334 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 16 2.069 5.732 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.759 3.287 -8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.053 4.439 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.451 7.222 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.446 6.673 -9.081 1.00 0.00 H new ATOM 208 N LYS A 17 3.468 6.149 -2.647 1.00 0.00 N ATOM 209 CA LYS A 17 4.486 7.066 -3.131 1.00 0.00 C ATOM 210 C LYS A 17 5.635 6.266 -3.749 1.00 0.00 C ATOM 211 O LYS A 17 6.427 5.655 -3.033 1.00 0.00 O ATOM 212 CB LYS A 17 4.929 8.013 -2.014 1.00 0.00 C ATOM 213 CG LYS A 17 5.968 9.014 -2.523 1.00 0.00 C ATOM 214 CD LYS A 17 7.218 9.003 -1.641 1.00 0.00 C ATOM 215 CE LYS A 17 8.333 9.849 -2.260 1.00 0.00 C ATOM 216 NZ LYS A 17 9.066 10.589 -1.209 1.00 0.00 N ATOM 0 H LYS A 17 3.803 5.450 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 17 4.081 7.704 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.064 8.549 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.348 7.437 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.241 8.770 -3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.537 10.015 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.972 9.387 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.565 7.978 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.022 9.207 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.909 10.550 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.120 11.595 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.567 10.490 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.028 10.203 -1.119 1.00 0.00 H new ATOM 230 N GLN A 18 5.688 6.295 -5.072 1.00 0.00 N ATOM 231 CA GLN A 18 6.726 5.579 -5.795 1.00 0.00 C ATOM 232 C GLN A 18 8.091 6.219 -5.534 1.00 0.00 C ATOM 233 O GLN A 18 8.349 7.340 -5.968 1.00 0.00 O ATOM 234 CB GLN A 18 6.419 5.534 -7.293 1.00 0.00 C ATOM 235 CG GLN A 18 7.543 4.836 -8.062 1.00 0.00 C ATOM 236 CD GLN A 18 6.977 3.938 -9.164 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.827 4.042 -9.556 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.848 3.053 -9.641 1.00 0.00 N ATOM 0 H GLN A 18 5.029 6.803 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 18 6.752 4.551 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.479 5.009 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.289 6.548 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.206 5.582 -8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.143 4.240 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.797 3.019 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.567 2.408 -10.380 1.00 0.00 H new ATOM 247 N GLU A 19 8.931 5.477 -4.826 1.00 0.00 N ATOM 248 CA GLU A 19 10.263 5.957 -4.501 1.00 0.00 C ATOM 249 C GLU A 19 11.262 5.513 -5.571 1.00 0.00 C ATOM 250 O GLU A 19 11.905 6.345 -6.209 1.00 0.00 O ATOM 251 CB GLU A 19 10.696 5.479 -3.114 1.00 0.00 C ATOM 252 CG GLU A 19 10.007 6.290 -2.015 1.00 0.00 C ATOM 253 CD GLU A 19 10.940 7.370 -1.463 1.00 0.00 C ATOM 254 OE1 GLU A 19 10.961 8.464 -2.067 1.00 0.00 O ATOM 255 OE2 GLU A 19 11.612 7.076 -0.451 1.00 0.00 O ATOM 0 H GLU A 19 8.714 4.547 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 19 10.241 7.047 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.454 4.423 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.778 5.571 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.104 6.753 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.697 5.626 -1.208 1.00 0.00 H new ATOM 262 N MET A 20 11.362 4.202 -5.735 1.00 0.00 N ATOM 263 CA MET A 20 12.272 3.637 -6.716 1.00 0.00 C ATOM 264 C MET A 20 11.510 2.835 -7.773 1.00 0.00 C ATOM 265 O MET A 20 10.403 2.361 -7.519 1.00 0.00 O ATOM 266 CB MET A 20 13.281 2.727 -6.013 1.00 0.00 C ATOM 267 CG MET A 20 14.157 3.524 -5.045 1.00 0.00 C ATOM 268 SD MET A 20 15.430 4.392 -5.947 1.00 0.00 S ATOM 269 CE MET A 20 16.512 3.029 -6.344 1.00 0.00 C ATOM 0 H MET A 20 10.827 3.515 -5.204 1.00 0.00 H new ATOM 0 HA MET A 20 12.793 4.455 -7.214 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.753 1.944 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.909 2.233 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.545 4.234 -4.489 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.610 2.853 -4.315 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.547 3.372 -6.339 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.388 2.239 -5.604 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.263 2.643 -7.332 1.00 0.00 H new ATOM 279 N GLU A 21 12.132 2.706 -8.935 1.00 0.00 N ATOM 280 CA GLU A 21 11.527 1.969 -10.031 1.00 0.00 C ATOM 281 C GLU A 21 12.331 0.702 -10.327 1.00 0.00 C ATOM 282 O GLU A 21 11.846 -0.200 -11.008 1.00 0.00 O ATOM 283 CB GLU A 21 11.405 2.845 -11.280 1.00 0.00 C ATOM 284 CG GLU A 21 10.978 2.016 -12.492 1.00 0.00 C ATOM 285 CD GLU A 21 10.151 2.855 -13.468 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.377 3.703 -12.972 1.00 0.00 O ATOM 287 OE2 GLU A 21 10.311 2.630 -14.687 1.00 0.00 O ATOM 0 H GLU A 21 13.050 3.100 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 21 10.520 1.676 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.678 3.638 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.360 3.328 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.861 1.626 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.395 1.156 -12.162 1.00 0.00 H new ATOM 294 N ALA A 22 13.546 0.674 -9.801 1.00 0.00 N ATOM 295 CA ALA A 22 14.422 -0.468 -10.000 1.00 0.00 C ATOM 296 C ALA A 22 15.708 -0.265 -9.196 1.00 0.00 C ATOM 297 O ALA A 22 16.068 0.865 -8.869 1.00 0.00 O ATOM 298 CB ALA A 22 14.692 -0.650 -11.495 1.00 0.00 C ATOM 0 H ALA A 22 13.945 1.424 -9.237 1.00 0.00 H new ATOM 0 HA ALA A 22 13.949 -1.382 -9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.349 -1.507 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.750 -0.820 -12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.169 0.247 -11.890 1.00 0.00 H new ATOM 304 N PHE A 23 16.365 -1.377 -8.901 1.00 0.00 N ATOM 305 CA PHE A 23 17.603 -1.335 -8.141 1.00 0.00 C ATOM 306 C PHE A 23 18.488 -0.174 -8.598 1.00 0.00 C ATOM 307 O PHE A 23 19.058 -0.214 -9.687 1.00 0.00 O ATOM 308 CB PHE A 23 18.335 -2.653 -8.406 1.00 0.00 C ATOM 309 CG PHE A 23 17.538 -3.898 -8.012 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.133 -4.066 -6.724 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.234 -4.836 -8.948 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.393 -5.221 -6.358 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.494 -5.991 -8.582 1.00 0.00 C ATOM 314 CZ PHE A 23 16.089 -6.159 -7.295 1.00 0.00 C ATOM 0 H PHE A 23 16.064 -2.312 -9.174 1.00 0.00 H new ATOM 0 HA PHE A 23 17.385 -1.196 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.582 -2.713 -9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.278 -2.649 -7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.374 -3.321 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.556 -4.702 -9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.071 -5.355 -5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.253 -6.736 -9.326 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.526 -7.037 -7.017 1.00 0.00 H new ATOM 324 N GLY A 24 18.575 0.834 -7.742 1.00 0.00 N ATOM 325 CA GLY A 24 19.381 2.005 -8.044 1.00 0.00 C ATOM 326 C GLY A 24 18.576 3.032 -8.844 1.00 0.00 C ATOM 327 O GLY A 24 18.726 4.236 -8.642 1.00 0.00 O ATOM 0 H GLY A 24 18.101 0.864 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.735 2.457 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.263 1.708 -8.611 1.00 0.00 H new ATOM 331 N LYS A 25 17.741 2.519 -9.735 1.00 0.00 N ATOM 332 CA LYS A 25 16.913 3.377 -10.566 1.00 0.00 C ATOM 333 C LYS A 25 15.917 4.129 -9.681 1.00 0.00 C ATOM 334 O LYS A 25 15.154 3.514 -8.938 1.00 0.00 O ATOM 335 CB LYS A 25 16.254 2.566 -11.683 1.00 0.00 C ATOM 336 CG LYS A 25 16.280 3.333 -13.006 1.00 0.00 C ATOM 337 CD LYS A 25 14.865 3.710 -13.450 1.00 0.00 C ATOM 338 CE LYS A 25 14.397 4.992 -12.757 1.00 0.00 C ATOM 339 NZ LYS A 25 13.052 5.379 -13.237 1.00 0.00 N ATOM 0 H LYS A 25 17.620 1.520 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 25 17.524 4.128 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.772 1.614 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.223 2.337 -11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.883 4.235 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.756 2.724 -13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.844 3.848 -14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.178 2.896 -13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.375 4.842 -11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.105 5.797 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.664 6.122 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.121 5.737 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.424 4.550 -13.216 1.00 0.00 H new ATOM 353 N LYS A 26 15.956 5.449 -9.790 1.00 0.00 N ATOM 354 CA LYS A 26 15.066 6.291 -9.009 1.00 0.00 C ATOM 355 C LYS A 26 13.848 6.661 -9.857 1.00 0.00 C ATOM 356 O LYS A 26 13.977 6.938 -11.048 1.00 0.00 O ATOM 357 CB LYS A 26 15.822 7.501 -8.457 1.00 0.00 C ATOM 358 CG LYS A 26 16.217 8.461 -9.581 1.00 0.00 C ATOM 359 CD LYS A 26 17.727 8.431 -9.822 1.00 0.00 C ATOM 360 CE LYS A 26 18.457 9.359 -8.848 1.00 0.00 C ATOM 361 NZ LYS A 26 18.841 8.624 -7.622 1.00 0.00 N ATOM 0 H LYS A 26 16.590 5.956 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 26 14.696 5.751 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.199 8.023 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.715 7.166 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.693 8.189 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.906 9.474 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.097 7.412 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.941 8.733 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.346 9.771 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.815 10.201 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.638 9.109 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.032 8.591 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.124 7.655 -7.872 1.00 0.00 H new ATOM 375 N ALA A 27 12.692 6.654 -9.209 1.00 0.00 N ATOM 376 CA ALA A 27 11.451 6.986 -9.888 1.00 0.00 C ATOM 377 C ALA A 27 11.491 8.450 -10.328 1.00 0.00 C ATOM 378 O ALA A 27 11.806 9.333 -9.532 1.00 0.00 O ATOM 379 CB ALA A 27 10.268 6.687 -8.965 1.00 0.00 C ATOM 0 H ALA A 27 12.589 6.424 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 27 11.329 6.376 -10.783 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.337 6.936 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.268 5.628 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.355 7.283 -8.057 1.00 0.00 H new ATOM 385 N ALA A 28 11.168 8.663 -11.596 1.00 0.00 N ATOM 386 CA ALA A 28 11.164 10.006 -12.151 1.00 0.00 C ATOM 387 C ALA A 28 10.571 10.975 -11.126 1.00 0.00 C ATOM 388 O ALA A 28 11.274 11.841 -10.607 1.00 0.00 O ATOM 389 CB ALA A 28 10.391 10.009 -13.472 1.00 0.00 C ATOM 0 H ALA A 28 10.907 7.928 -12.254 1.00 0.00 H new ATOM 0 HA ALA A 28 12.180 10.336 -12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.387 11.016 -13.889 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.869 9.327 -14.175 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.365 9.686 -13.294 1.00 0.00 H new ATOM 395 N ASN A 29 9.284 10.798 -10.867 1.00 0.00 N ATOM 396 CA ASN A 29 8.590 11.646 -9.913 1.00 0.00 C ATOM 397 C ASN A 29 8.363 10.869 -8.615 1.00 0.00 C ATOM 398 O ASN A 29 7.779 9.786 -8.630 1.00 0.00 O ATOM 399 CB ASN A 29 7.223 12.076 -10.452 1.00 0.00 C ATOM 400 CG ASN A 29 6.452 12.885 -9.407 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.957 13.824 -8.815 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.204 12.468 -9.214 1.00 0.00 N ATOM 0 H ASN A 29 8.704 10.080 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 29 9.204 12.529 -9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.355 12.673 -11.354 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.646 11.195 -10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.607 12.942 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.844 11.674 -9.744 1.00 0.00 H new ATOM 409 N ARG A 30 8.837 11.451 -7.524 1.00 0.00 N ATOM 410 CA ARG A 30 8.694 10.826 -6.220 1.00 0.00 C ATOM 411 C ARG A 30 7.831 11.698 -5.305 1.00 0.00 C ATOM 412 O ARG A 30 8.346 12.358 -4.405 1.00 0.00 O ATOM 413 CB ARG A 30 10.057 10.603 -5.563 1.00 0.00 C ATOM 414 CG ARG A 30 10.868 9.553 -6.325 1.00 0.00 C ATOM 415 CD ARG A 30 12.145 9.188 -5.565 1.00 0.00 C ATOM 416 NE ARG A 30 13.008 10.382 -5.425 1.00 0.00 N ATOM 417 CZ ARG A 30 14.018 10.480 -4.549 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.297 9.457 -3.731 1.00 0.00 N ATOM 419 NH2 ARG A 30 14.748 11.602 -4.492 1.00 0.00 N ATOM 0 H ARG A 30 9.321 12.349 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 30 8.212 9.859 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.609 11.543 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.919 10.282 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.262 8.659 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.125 9.934 -7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.892 8.794 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.682 8.401 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 30 12.823 11.180 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.741 8.603 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.066 9.532 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.535 12.381 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.517 11.677 -3.826 1.00 0.00 H new ATOM 433 N SER A 31 6.532 11.672 -5.568 1.00 0.00 N ATOM 434 CA SER A 31 5.594 12.451 -4.780 1.00 0.00 C ATOM 435 C SER A 31 4.572 11.526 -4.117 1.00 0.00 C ATOM 436 O SER A 31 4.500 10.341 -4.441 1.00 0.00 O ATOM 437 CB SER A 31 4.883 13.495 -5.644 1.00 0.00 C ATOM 438 OG SER A 31 3.784 14.094 -4.962 1.00 0.00 O ATOM 0 H SER A 31 6.108 11.123 -6.316 1.00 0.00 H new ATOM 0 HA SER A 31 6.153 12.978 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.593 14.268 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.528 13.025 -6.561 1.00 0.00 H new ATOM 0 HG SER A 31 3.358 14.755 -5.546 1.00 0.00 H new ATOM 444 N TRP A 32 3.806 12.101 -3.201 1.00 0.00 N ATOM 445 CA TRP A 32 2.792 11.343 -2.490 1.00 0.00 C ATOM 446 C TRP A 32 1.453 11.564 -3.197 1.00 0.00 C ATOM 447 O TRP A 32 1.115 12.692 -3.554 1.00 0.00 O ATOM 448 CB TRP A 32 2.757 11.727 -1.009 1.00 0.00 C ATOM 449 CG TRP A 32 3.899 11.131 -0.184 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.131 11.625 -0.003 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.864 9.901 0.570 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.890 10.807 0.808 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.095 9.725 1.168 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.827 8.968 0.740 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.404 8.625 1.977 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.151 7.874 1.552 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.386 7.682 2.161 1.00 0.00 C ATOM 0 H TRP A 32 3.868 13.084 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 32 3.024 10.278 -2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.790 12.813 -0.925 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.807 11.403 -0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.486 12.548 -0.438 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.857 10.967 1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.857 9.085 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.376 8.510 2.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.388 7.127 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.559 6.809 2.773 1.00 0.00 H new ATOM 468 N GLN A 33 0.727 10.471 -3.377 1.00 0.00 N ATOM 469 CA GLN A 33 -0.567 10.532 -4.035 1.00 0.00 C ATOM 470 C GLN A 33 -1.511 9.481 -3.448 1.00 0.00 C ATOM 471 O GLN A 33 -1.116 8.335 -3.237 1.00 0.00 O ATOM 472 CB GLN A 33 -0.422 10.354 -5.548 1.00 0.00 C ATOM 473 CG GLN A 33 0.325 11.536 -6.170 1.00 0.00 C ATOM 474 CD GLN A 33 0.077 11.610 -7.678 1.00 0.00 C ATOM 475 OE1 GLN A 33 -1.046 11.559 -8.152 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.186 11.732 -8.403 1.00 0.00 N ATOM 0 H GLN A 33 1.010 9.538 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.997 11.518 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.114 9.429 -5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.408 10.262 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.001 12.464 -5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.393 11.437 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.095 11.769 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.127 11.789 -9.420 1.00 0.00 H new ATOM 485 N ASN A 34 -2.741 9.908 -3.202 1.00 0.00 N ATOM 486 CA ASN A 34 -3.744 9.018 -2.643 1.00 0.00 C ATOM 487 C ASN A 34 -4.124 7.966 -3.687 1.00 0.00 C ATOM 488 O ASN A 34 -4.857 8.259 -4.630 1.00 0.00 O ATOM 489 CB ASN A 34 -5.011 9.786 -2.263 1.00 0.00 C ATOM 490 CG ASN A 34 -5.215 9.791 -0.746 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.909 10.749 -0.056 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.749 8.670 -0.269 1.00 0.00 N ATOM 0 H ASN A 34 -3.066 10.859 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.323 8.553 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.942 10.811 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.875 9.332 -2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.926 8.575 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.982 7.906 -0.903 1.00 0.00 H new ATOM 499 N VAL A 35 -3.609 6.762 -3.483 1.00 0.00 N ATOM 500 CA VAL A 35 -3.885 5.665 -4.394 1.00 0.00 C ATOM 501 C VAL A 35 -4.458 4.486 -3.607 1.00 0.00 C ATOM 502 O VAL A 35 -3.868 4.047 -2.621 1.00 0.00 O ATOM 503 CB VAL A 35 -2.621 5.304 -5.177 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.915 4.233 -6.229 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.998 6.546 -5.817 1.00 0.00 C ATOM 0 H VAL A 35 -3.002 6.523 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.634 5.959 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.897 4.892 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.000 3.995 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.291 3.335 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.664 4.605 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.101 6.261 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.714 7.001 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.734 7.262 -5.039 1.00 0.00 H new ATOM 515 N TYR A 36 -5.603 4.005 -4.071 1.00 0.00 N ATOM 516 CA TYR A 36 -6.262 2.885 -3.423 1.00 0.00 C ATOM 517 C TYR A 36 -5.528 1.574 -3.712 1.00 0.00 C ATOM 518 O TYR A 36 -5.526 1.097 -4.846 1.00 0.00 O ATOM 519 CB TYR A 36 -7.666 2.814 -4.028 1.00 0.00 C ATOM 520 CG TYR A 36 -8.611 1.858 -3.297 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.181 2.234 -2.098 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.893 0.620 -3.837 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.070 1.335 -1.410 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.783 -0.280 -3.150 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.328 0.122 -1.970 1.00 0.00 C ATOM 526 OH TYR A 36 -11.168 -0.728 -1.320 1.00 0.00 O ATOM 0 H TYR A 36 -6.091 4.371 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.279 3.023 -2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.103 3.813 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.586 2.504 -5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.960 3.203 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.446 0.326 -4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.522 1.617 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.012 -1.252 -3.562 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.260 -1.556 -1.837 1.00 0.00 H new ATOM 536 N CYS A 37 -4.923 1.029 -2.668 1.00 0.00 N ATOM 537 CA CYS A 37 -4.187 -0.218 -2.795 1.00 0.00 C ATOM 538 C CYS A 37 -5.196 -1.366 -2.868 1.00 0.00 C ATOM 539 O CYS A 37 -6.097 -1.459 -2.036 1.00 0.00 O ATOM 540 CB CYS A 37 -3.190 -0.406 -1.650 1.00 0.00 C ATOM 541 SG CYS A 37 -1.478 -0.349 -2.296 1.00 0.00 S ATOM 0 H CYS A 37 -4.927 1.428 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.592 -0.200 -3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.331 0.374 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.369 -1.360 -1.154 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.937 0.793 -1.990 1.00 0.00 H new ATOM 547 N VAL A 38 -5.010 -2.211 -3.872 1.00 0.00 N ATOM 548 CA VAL A 38 -5.893 -3.349 -4.064 1.00 0.00 C ATOM 549 C VAL A 38 -5.056 -4.626 -4.168 1.00 0.00 C ATOM 550 O VAL A 38 -4.429 -4.879 -5.195 1.00 0.00 O ATOM 551 CB VAL A 38 -6.786 -3.119 -5.285 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.448 -4.423 -5.734 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.834 -2.041 -5.001 1.00 0.00 C ATOM 0 H VAL A 38 -4.262 -2.130 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.559 -3.464 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.155 -2.767 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.077 -4.231 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.679 -5.150 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.060 -4.818 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.456 -1.896 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.459 -2.353 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.335 -1.105 -4.752 1.00 0.00 H new ATOM 563 N LEU A 39 -5.075 -5.397 -3.090 1.00 0.00 N ATOM 564 CA LEU A 39 -4.325 -6.641 -3.047 1.00 0.00 C ATOM 565 C LEU A 39 -5.280 -7.814 -3.277 1.00 0.00 C ATOM 566 O LEU A 39 -6.428 -7.780 -2.837 1.00 0.00 O ATOM 567 CB LEU A 39 -3.529 -6.742 -1.745 1.00 0.00 C ATOM 568 CG LEU A 39 -2.659 -7.991 -1.586 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.188 -7.613 -1.395 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.175 -8.878 -0.453 1.00 0.00 C ATOM 0 H LEU A 39 -5.598 -5.184 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.586 -6.669 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.888 -5.864 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.229 -6.702 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.725 -8.573 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.591 -8.518 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.841 -7.053 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.083 -6.998 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.539 -9.758 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.158 -8.319 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.196 -9.190 -0.671 1.00 0.00 H new ATOM 582 N ARG A 40 -4.770 -8.825 -3.965 1.00 0.00 N ATOM 583 CA ARG A 40 -5.563 -10.007 -4.258 1.00 0.00 C ATOM 584 C ARG A 40 -4.720 -11.270 -4.077 1.00 0.00 C ATOM 585 O ARG A 40 -3.817 -11.304 -3.243 1.00 0.00 O ATOM 586 CB ARG A 40 -6.106 -9.965 -5.688 1.00 0.00 C ATOM 587 CG ARG A 40 -7.521 -10.543 -5.754 1.00 0.00 C ATOM 588 CD ARG A 40 -8.569 -9.459 -5.495 1.00 0.00 C ATOM 589 NE ARG A 40 -9.919 -10.063 -5.439 1.00 0.00 N ATOM 590 CZ ARG A 40 -10.975 -9.490 -4.845 1.00 0.00 C ATOM 591 NH1 ARG A 40 -10.843 -8.294 -4.254 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.162 -10.111 -4.843 1.00 0.00 N ATOM 0 H ARG A 40 -3.817 -8.850 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.402 -10.024 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.112 -8.936 -6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.447 -10.530 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.690 -10.990 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.627 -11.340 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.351 -8.948 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.530 -8.708 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.054 -10.973 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.939 -7.821 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.646 -7.857 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.263 -11.020 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.965 -9.674 -4.391 1.00 0.00 H new ATOM 606 N ARG A 41 -5.045 -12.279 -4.872 1.00 0.00 N ATOM 607 CA ARG A 41 -4.328 -13.542 -4.810 1.00 0.00 C ATOM 608 C ARG A 41 -2.884 -13.356 -5.278 1.00 0.00 C ATOM 609 O ARG A 41 -2.513 -13.813 -6.358 1.00 0.00 O ATOM 610 CB ARG A 41 -5.006 -14.603 -5.679 1.00 0.00 C ATOM 611 CG ARG A 41 -5.651 -15.689 -4.815 1.00 0.00 C ATOM 612 CD ARG A 41 -5.963 -16.936 -5.645 1.00 0.00 C ATOM 613 NE ARG A 41 -4.797 -17.848 -5.644 1.00 0.00 N ATOM 614 CZ ARG A 41 -4.566 -18.772 -6.587 1.00 0.00 C ATOM 615 NH1 ARG A 41 -5.417 -18.910 -7.613 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.482 -19.556 -6.505 1.00 0.00 N ATOM 0 H ARG A 41 -5.795 -12.248 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.337 -13.878 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.764 -14.134 -6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.273 -15.053 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.982 -15.951 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.569 -15.306 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.835 -17.446 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.211 -16.650 -6.667 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.128 -17.768 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.241 -18.312 -7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.241 -19.613 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.833 -19.449 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.306 -20.259 -7.222 1.00 0.00 H new ATOM 630 N GLY A 42 -2.106 -12.684 -4.441 1.00 0.00 N ATOM 631 CA GLY A 42 -0.710 -12.432 -4.756 1.00 0.00 C ATOM 632 C GLY A 42 -0.575 -11.329 -5.808 1.00 0.00 C ATOM 633 O GLY A 42 0.053 -11.529 -6.846 1.00 0.00 O ATOM 0 H GLY A 42 -2.416 -12.307 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.176 -12.143 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.245 -13.347 -5.122 1.00 0.00 H new ATOM 637 N SER A 43 -1.176 -10.188 -5.502 1.00 0.00 N ATOM 638 CA SER A 43 -1.131 -9.053 -6.408 1.00 0.00 C ATOM 639 C SER A 43 -1.438 -7.762 -5.645 1.00 0.00 C ATOM 640 O SER A 43 -1.922 -7.805 -4.515 1.00 0.00 O ATOM 641 CB SER A 43 -2.115 -9.232 -7.565 1.00 0.00 C ATOM 642 OG SER A 43 -3.448 -9.438 -7.106 1.00 0.00 O ATOM 0 H SER A 43 -1.696 -10.026 -4.640 1.00 0.00 H new ATOM 0 HA SER A 43 -0.127 -8.990 -6.827 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.085 -8.351 -8.206 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.807 -10.081 -8.175 1.00 0.00 H new ATOM 0 HG SER A 43 -4.046 -9.546 -7.875 1.00 0.00 H new ATOM 648 N LEU A 44 -1.144 -6.645 -6.294 1.00 0.00 N ATOM 649 CA LEU A 44 -1.382 -5.345 -5.691 1.00 0.00 C ATOM 650 C LEU A 44 -1.656 -4.319 -6.793 1.00 0.00 C ATOM 651 O LEU A 44 -0.727 -3.824 -7.430 1.00 0.00 O ATOM 652 CB LEU A 44 -0.224 -4.961 -4.768 1.00 0.00 C ATOM 653 CG LEU A 44 -0.305 -3.572 -4.131 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.413 -3.517 -3.077 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.050 -3.150 -3.561 1.00 0.00 C ATOM 0 H LEU A 44 -0.743 -6.614 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.267 -5.377 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.161 -5.701 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.704 -5.025 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.564 -2.854 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.450 -2.519 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.371 -3.744 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.208 -4.249 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.964 -2.159 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.363 -3.865 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.789 -3.124 -4.361 1.00 0.00 H new ATOM 667 N GLY A 45 -2.935 -4.030 -6.985 1.00 0.00 N ATOM 668 CA GLY A 45 -3.343 -3.073 -7.998 1.00 0.00 C ATOM 669 C GLY A 45 -3.587 -1.694 -7.383 1.00 0.00 C ATOM 670 O GLY A 45 -3.862 -1.582 -6.189 1.00 0.00 O ATOM 0 H GLY A 45 -3.703 -4.443 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.573 -3.001 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.252 -3.422 -8.488 1.00 0.00 H new ATOM 674 N PHE A 46 -3.479 -0.677 -8.226 1.00 0.00 N ATOM 675 CA PHE A 46 -3.685 0.690 -7.780 1.00 0.00 C ATOM 676 C PHE A 46 -4.917 1.305 -8.447 1.00 0.00 C ATOM 677 O PHE A 46 -5.143 1.110 -9.641 1.00 0.00 O ATOM 678 CB PHE A 46 -2.446 1.487 -8.192 1.00 0.00 C ATOM 679 CG PHE A 46 -1.133 0.924 -7.642 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.866 0.997 -6.311 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.234 0.350 -8.486 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.352 0.474 -5.801 1.00 0.00 C ATOM 683 CE2 PHE A 46 0.984 -0.172 -7.976 1.00 0.00 C ATOM 684 CZ PHE A 46 1.251 -0.099 -6.645 1.00 0.00 C ATOM 0 H PHE A 46 -3.251 -0.773 -9.216 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.841 0.709 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.390 1.515 -9.280 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.559 2.516 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.580 1.453 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.446 0.291 -9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.564 0.531 -4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.699 -0.627 -8.646 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.178 -0.496 -6.258 1.00 0.00 H new ATOM 694 N TYR A 47 -5.682 2.035 -7.648 1.00 0.00 N ATOM 695 CA TYR A 47 -6.885 2.679 -8.147 1.00 0.00 C ATOM 696 C TYR A 47 -7.133 4.007 -7.429 1.00 0.00 C ATOM 697 O TYR A 47 -6.646 4.217 -6.319 1.00 0.00 O ATOM 698 CB TYR A 47 -8.036 1.721 -7.836 1.00 0.00 C ATOM 699 CG TYR A 47 -7.855 0.319 -8.421 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.899 -0.528 -7.900 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.648 -0.098 -9.472 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.728 -1.848 -8.451 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.477 -1.417 -10.023 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.526 -2.227 -9.485 1.00 0.00 C ATOM 705 OH TYR A 47 -7.365 -3.473 -10.006 1.00 0.00 O ATOM 0 H TYR A 47 -5.492 2.195 -6.659 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.794 2.890 -9.212 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.146 1.641 -6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.963 2.147 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.278 -0.201 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.396 0.565 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.983 -2.521 -8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.090 -1.756 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.003 -3.607 -10.738 1.00 0.00 H new ATOM 715 N LYS A 48 -7.892 4.869 -8.091 1.00 0.00 N ATOM 716 CA LYS A 48 -8.211 6.170 -7.530 1.00 0.00 C ATOM 717 C LYS A 48 -8.693 5.995 -6.088 1.00 0.00 C ATOM 718 O LYS A 48 -8.008 6.394 -5.148 1.00 0.00 O ATOM 719 CB LYS A 48 -9.207 6.910 -8.425 1.00 0.00 C ATOM 720 CG LYS A 48 -9.600 8.256 -7.812 1.00 0.00 C ATOM 721 CD LYS A 48 -8.981 9.416 -8.594 1.00 0.00 C ATOM 722 CE LYS A 48 -9.926 9.903 -9.693 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.076 11.374 -9.634 1.00 0.00 N ATOM 0 H LYS A 48 -8.295 4.691 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.321 6.798 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.768 7.069 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.097 6.298 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.686 8.354 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.272 8.296 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.754 10.237 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.037 9.098 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.540 9.610 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.900 9.427 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.721 11.688 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.465 11.646 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.147 11.823 -9.764 1.00 0.00 H new ATOM 737 N ASP A 49 -9.868 5.397 -5.959 1.00 0.00 N ATOM 738 CA ASP A 49 -10.450 5.164 -4.648 1.00 0.00 C ATOM 739 C ASP A 49 -11.295 3.889 -4.690 1.00 0.00 C ATOM 740 O ASP A 49 -11.315 3.186 -5.698 1.00 0.00 O ATOM 741 CB ASP A 49 -11.360 6.322 -4.236 1.00 0.00 C ATOM 742 CG ASP A 49 -10.977 7.684 -4.817 1.00 0.00 C ATOM 743 OD1 ASP A 49 -10.040 8.296 -4.259 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.629 8.084 -5.805 1.00 0.00 O ATOM 0 H ASP A 49 -10.433 5.067 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.636 5.072 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.380 6.088 -4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.360 6.395 -3.148 1.00 0.00 H new ATOM 749 N ALA A 50 -11.973 3.631 -3.581 1.00 0.00 N ATOM 750 CA ALA A 50 -12.819 2.454 -3.478 1.00 0.00 C ATOM 751 C ALA A 50 -13.983 2.579 -4.463 1.00 0.00 C ATOM 752 O ALA A 50 -14.705 1.613 -4.702 1.00 0.00 O ATOM 753 CB ALA A 50 -13.293 2.291 -2.032 1.00 0.00 C ATOM 0 H ALA A 50 -11.954 4.217 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.260 1.556 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.928 1.408 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.430 2.176 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.860 3.173 -1.733 1.00 0.00 H new ATOM 759 N LYS A 51 -14.128 3.778 -5.008 1.00 0.00 N ATOM 760 CA LYS A 51 -15.192 4.043 -5.961 1.00 0.00 C ATOM 761 C LYS A 51 -14.779 3.519 -7.338 1.00 0.00 C ATOM 762 O LYS A 51 -15.625 3.098 -8.126 1.00 0.00 O ATOM 763 CB LYS A 51 -15.562 5.527 -5.953 1.00 0.00 C ATOM 764 CG LYS A 51 -16.536 5.843 -4.817 1.00 0.00 C ATOM 765 CD LYS A 51 -17.962 5.427 -5.184 1.00 0.00 C ATOM 766 CE LYS A 51 -18.979 6.457 -4.689 1.00 0.00 C ATOM 767 NZ LYS A 51 -19.481 6.087 -3.347 1.00 0.00 N ATOM 0 H LYS A 51 -13.526 4.577 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.100 3.511 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.661 6.130 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.011 5.799 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.224 5.324 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.510 6.910 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.046 5.319 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.184 4.453 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.517 7.444 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.811 6.521 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.170 6.797 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.940 5.155 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.686 6.049 -2.677 1.00 0.00 H new ATOM 781 N ALA A 52 -13.478 3.562 -7.586 1.00 0.00 N ATOM 782 CA ALA A 52 -12.942 3.098 -8.854 1.00 0.00 C ATOM 783 C ALA A 52 -12.715 1.587 -8.784 1.00 0.00 C ATOM 784 O ALA A 52 -13.009 0.866 -9.736 1.00 0.00 O ATOM 785 CB ALA A 52 -11.659 3.866 -9.179 1.00 0.00 C ATOM 0 H ALA A 52 -12.779 3.911 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.649 3.289 -9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.257 3.517 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.880 4.931 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.925 3.697 -8.391 1.00 0.00 H new ATOM 791 N ALA A 53 -12.192 1.151 -7.647 1.00 0.00 N ATOM 792 CA ALA A 53 -11.922 -0.261 -7.440 1.00 0.00 C ATOM 793 C ALA A 53 -13.161 -1.074 -7.821 1.00 0.00 C ATOM 794 O ALA A 53 -13.071 -2.019 -8.604 1.00 0.00 O ATOM 795 CB ALA A 53 -11.497 -0.492 -5.988 1.00 0.00 C ATOM 0 H ALA A 53 -11.948 1.752 -6.859 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.102 -0.592 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.294 -1.552 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.597 0.085 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.297 -0.174 -5.320 1.00 0.00 H new ATOM 801 N SER A 54 -14.289 -0.678 -7.249 1.00 0.00 N ATOM 802 CA SER A 54 -15.544 -1.358 -7.519 1.00 0.00 C ATOM 803 C SER A 54 -15.918 -1.201 -8.994 1.00 0.00 C ATOM 804 O SER A 54 -16.616 -2.044 -9.555 1.00 0.00 O ATOM 805 CB SER A 54 -16.665 -0.821 -6.627 1.00 0.00 C ATOM 806 OG SER A 54 -17.929 -1.390 -6.956 1.00 0.00 O ATOM 0 H SER A 54 -14.360 0.105 -6.600 1.00 0.00 H new ATOM 0 HA SER A 54 -15.414 -2.417 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.432 -1.035 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.719 0.263 -6.726 1.00 0.00 H new ATOM 0 HG SER A 54 -18.617 -1.023 -6.363 1.00 0.00 H new ATOM 812 N ALA A 55 -15.436 -0.115 -9.581 1.00 0.00 N ATOM 813 CA ALA A 55 -15.711 0.164 -10.980 1.00 0.00 C ATOM 814 C ALA A 55 -14.582 -0.408 -11.841 1.00 0.00 C ATOM 815 O ALA A 55 -14.493 -0.110 -13.031 1.00 0.00 O ATOM 816 CB ALA A 55 -15.887 1.671 -11.176 1.00 0.00 C ATOM 0 H ALA A 55 -14.857 0.582 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.639 -0.315 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.093 1.880 -12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.719 2.023 -10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.974 2.186 -10.876 1.00 0.00 H new ATOM 822 N GLY A 56 -13.749 -1.218 -11.206 1.00 0.00 N ATOM 823 CA GLY A 56 -12.630 -1.834 -11.899 1.00 0.00 C ATOM 824 C GLY A 56 -11.935 -0.829 -12.819 1.00 0.00 C ATOM 825 O GLY A 56 -11.474 -1.188 -13.902 1.00 0.00 O ATOM 0 H GLY A 56 -13.826 -1.462 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.916 -2.221 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.983 -2.684 -12.483 1.00 0.00 H new ATOM 829 N VAL A 57 -11.880 0.411 -12.355 1.00 0.00 N ATOM 830 CA VAL A 57 -11.249 1.470 -13.123 1.00 0.00 C ATOM 831 C VAL A 57 -9.862 1.757 -12.543 1.00 0.00 C ATOM 832 O VAL A 57 -9.737 2.127 -11.377 1.00 0.00 O ATOM 833 CB VAL A 57 -12.152 2.705 -13.152 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.465 3.869 -13.869 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.501 2.383 -13.797 1.00 0.00 C ATOM 0 H VAL A 57 -12.262 0.706 -11.456 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.111 1.161 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.338 3.009 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.128 4.734 -13.876 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.542 4.123 -13.348 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.235 3.580 -14.895 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.123 3.278 -13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.343 2.042 -14.820 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.999 1.599 -13.226 1.00 0.00 H new ATOM 845 N PRO A 58 -8.828 1.571 -13.407 1.00 0.00 N ATOM 846 CA PRO A 58 -7.455 1.806 -12.993 1.00 0.00 C ATOM 847 C PRO A 58 -7.158 3.305 -12.906 1.00 0.00 C ATOM 848 O PRO A 58 -7.505 4.064 -13.809 1.00 0.00 O ATOM 849 CB PRO A 58 -6.604 1.092 -14.030 1.00 0.00 C ATOM 850 CG PRO A 58 -7.506 0.879 -15.235 1.00 0.00 C ATOM 851 CD PRO A 58 -8.939 1.135 -14.796 1.00 0.00 C ATOM 0 HA PRO A 58 -7.246 1.424 -11.994 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.731 1.688 -14.296 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.235 0.141 -13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.228 1.555 -16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.399 -0.136 -15.617 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.412 1.898 -15.414 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.546 0.234 -14.881 1.00 0.00 H new ATOM 859 N TYR A 59 -6.519 3.685 -11.809 1.00 0.00 N ATOM 860 CA TYR A 59 -6.170 5.079 -11.591 1.00 0.00 C ATOM 861 C TYR A 59 -5.537 5.688 -12.844 1.00 0.00 C ATOM 862 O TYR A 59 -6.108 6.588 -13.458 1.00 0.00 O ATOM 863 CB TYR A 59 -5.141 5.084 -10.459 1.00 0.00 C ATOM 864 CG TYR A 59 -4.718 6.485 -10.010 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.675 7.438 -9.730 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.379 6.793 -9.885 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.277 8.756 -9.308 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.980 8.111 -9.463 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.949 9.027 -9.195 1.00 0.00 C ATOM 870 OH TYR A 59 -3.572 10.272 -8.796 1.00 0.00 O ATOM 0 H TYR A 59 -6.234 3.052 -11.062 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.058 5.664 -11.351 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.554 4.549 -9.604 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.257 4.535 -10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.723 7.196 -9.827 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.630 6.046 -10.104 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.016 9.512 -9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.935 8.366 -9.362 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.597 10.303 -8.697 1.00 0.00 H new ATOM 880 N HIS A 60 -4.365 5.173 -13.185 1.00 0.00 N ATOM 881 CA HIS A 60 -3.647 5.654 -14.353 1.00 0.00 C ATOM 882 C HIS A 60 -3.409 4.496 -15.324 1.00 0.00 C ATOM 883 O HIS A 60 -2.319 4.357 -15.876 1.00 0.00 O ATOM 884 CB HIS A 60 -2.353 6.359 -13.943 1.00 0.00 C ATOM 885 CG HIS A 60 -2.558 7.756 -13.406 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.562 8.280 -12.646 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.664 8.787 -13.639 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.296 9.562 -12.426 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.120 9.878 -13.041 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.894 4.427 -12.673 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.250 6.399 -14.872 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.849 5.760 -13.185 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.688 6.406 -14.805 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.751 8.714 -14.211 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.910 10.243 -11.854 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.671 10.794 -13.041 1.00 0.00 H new ATOM 897 N GLY A 61 -4.448 3.692 -15.501 1.00 0.00 N ATOM 898 CA GLY A 61 -4.366 2.550 -16.395 1.00 0.00 C ATOM 899 C GLY A 61 -3.146 1.685 -16.070 1.00 0.00 C ATOM 900 O GLY A 61 -2.639 0.971 -16.933 1.00 0.00 O ATOM 0 H GLY A 61 -5.350 3.809 -15.040 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.273 1.952 -16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.307 2.895 -17.427 1.00 0.00 H new ATOM 904 N GLU A 62 -2.712 1.778 -14.821 1.00 0.00 N ATOM 905 CA GLU A 62 -1.561 1.013 -14.371 1.00 0.00 C ATOM 906 C GLU A 62 -2.000 -0.371 -13.888 1.00 0.00 C ATOM 907 O GLU A 62 -2.997 -0.498 -13.180 1.00 0.00 O ATOM 908 CB GLU A 62 -0.802 1.761 -13.273 1.00 0.00 C ATOM 909 CG GLU A 62 0.244 2.703 -13.874 1.00 0.00 C ATOM 910 CD GLU A 62 1.495 2.765 -12.996 1.00 0.00 C ATOM 911 OE1 GLU A 62 2.272 1.788 -13.045 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.646 3.789 -12.295 1.00 0.00 O ATOM 0 H GLU A 62 -3.136 2.371 -14.107 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.882 0.884 -15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.504 2.332 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.315 1.046 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.514 2.362 -14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.179 3.702 -13.981 1.00 0.00 H new ATOM 919 N VAL A 63 -1.234 -1.374 -14.292 1.00 0.00 N ATOM 920 CA VAL A 63 -1.531 -2.744 -13.910 1.00 0.00 C ATOM 921 C VAL A 63 -1.043 -2.987 -12.481 1.00 0.00 C ATOM 922 O VAL A 63 -0.349 -2.149 -11.906 1.00 0.00 O ATOM 923 CB VAL A 63 -0.921 -3.714 -14.924 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.812 -3.066 -16.306 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.441 -4.221 -14.447 1.00 0.00 C ATOM 0 H VAL A 63 -0.408 -1.265 -14.880 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.607 -2.919 -13.920 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.587 -4.573 -15.009 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.375 -3.777 -17.008 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.805 -2.778 -16.652 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.178 -2.181 -16.244 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.852 -4.909 -15.186 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.119 -3.377 -14.319 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.323 -4.739 -13.495 1.00 0.00 H new ATOM 935 N PRO A 64 -1.433 -4.169 -11.933 1.00 0.00 N ATOM 936 CA PRO A 64 -1.043 -4.534 -10.582 1.00 0.00 C ATOM 937 C PRO A 64 0.427 -4.957 -10.531 1.00 0.00 C ATOM 938 O PRO A 64 1.007 -5.322 -11.553 1.00 0.00 O ATOM 939 CB PRO A 64 -1.996 -5.649 -10.184 1.00 0.00 C ATOM 940 CG PRO A 64 -2.576 -6.184 -11.483 1.00 0.00 C ATOM 941 CD PRO A 64 -2.254 -5.186 -12.584 1.00 0.00 C ATOM 0 HA PRO A 64 -1.114 -3.700 -9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.473 -6.434 -9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.783 -5.275 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.152 -7.160 -11.717 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.654 -6.318 -11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.718 -5.662 -13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.162 -4.753 -13.004 1.00 0.00 H new ATOM 949 N VAL A 65 0.987 -4.893 -9.332 1.00 0.00 N ATOM 950 CA VAL A 65 2.377 -5.265 -9.135 1.00 0.00 C ATOM 951 C VAL A 65 2.444 -6.634 -8.456 1.00 0.00 C ATOM 952 O VAL A 65 1.869 -6.828 -7.385 1.00 0.00 O ATOM 953 CB VAL A 65 3.105 -4.172 -8.350 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.203 -2.882 -9.167 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.423 -3.918 -7.004 1.00 0.00 C ATOM 0 H VAL A 65 0.503 -4.589 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 65 2.888 -5.353 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 65 4.119 -4.520 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.725 -2.122 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.753 -3.075 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.201 -2.528 -9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.960 -3.137 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.394 -3.601 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.429 -4.835 -6.414 1.00 0.00 H new ATOM 965 N SER A 66 3.149 -7.548 -9.106 1.00 0.00 N ATOM 966 CA SER A 66 3.297 -8.894 -8.578 1.00 0.00 C ATOM 967 C SER A 66 4.152 -8.867 -7.309 1.00 0.00 C ATOM 968 O SER A 66 5.257 -8.325 -7.312 1.00 0.00 O ATOM 969 CB SER A 66 3.920 -9.828 -9.617 1.00 0.00 C ATOM 970 OG SER A 66 3.311 -9.682 -10.898 1.00 0.00 O ATOM 0 H SER A 66 3.624 -7.383 -9.993 1.00 0.00 H new ATOM 0 HA SER A 66 2.306 -9.276 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.987 -9.621 -9.697 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.819 -10.861 -9.283 1.00 0.00 H new ATOM 0 HG SER A 66 3.737 -10.293 -11.534 1.00 0.00 H new ATOM 976 N LEU A 67 3.610 -9.458 -6.255 1.00 0.00 N ATOM 977 CA LEU A 67 4.309 -9.509 -4.983 1.00 0.00 C ATOM 978 C LEU A 67 5.175 -10.769 -4.931 1.00 0.00 C ATOM 979 O LEU A 67 5.212 -11.460 -3.914 1.00 0.00 O ATOM 980 CB LEU A 67 3.319 -9.395 -3.822 1.00 0.00 C ATOM 981 CG LEU A 67 2.342 -8.219 -3.886 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.128 -8.465 -2.989 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.046 -6.903 -3.549 1.00 0.00 C ATOM 0 H LEU A 67 2.694 -9.906 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 67 4.981 -8.656 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.742 -10.318 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.885 -9.321 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 67 1.975 -8.136 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.450 -7.614 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.611 -9.367 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.457 -8.590 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.330 -6.083 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.460 -6.959 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.851 -6.728 -4.263 1.00 0.00 H new ATOM 995 N ALA A 68 5.851 -11.030 -6.041 1.00 0.00 N ATOM 996 CA ALA A 68 6.714 -12.195 -6.135 1.00 0.00 C ATOM 997 C ALA A 68 8.112 -11.830 -5.632 1.00 0.00 C ATOM 998 O ALA A 68 8.774 -10.964 -6.202 1.00 0.00 O ATOM 999 CB ALA A 68 6.728 -12.705 -7.577 1.00 0.00 C ATOM 0 H ALA A 68 5.818 -10.454 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 68 6.338 -13.003 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.375 -13.579 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.716 -12.978 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.102 -11.922 -8.236 1.00 0.00 H new ATOM 1005 N ARG A 69 8.520 -12.509 -4.570 1.00 0.00 N ATOM 1006 CA ARG A 69 9.828 -12.267 -3.984 1.00 0.00 C ATOM 1007 C ARG A 69 9.899 -10.849 -3.413 1.00 0.00 C ATOM 1008 O ARG A 69 10.987 -10.303 -3.234 1.00 0.00 O ATOM 1009 CB ARG A 69 10.938 -12.448 -5.021 1.00 0.00 C ATOM 1010 CG ARG A 69 10.765 -13.762 -5.785 1.00 0.00 C ATOM 1011 CD ARG A 69 12.102 -14.493 -5.928 1.00 0.00 C ATOM 1012 NE ARG A 69 11.885 -15.957 -5.890 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.706 -16.660 -4.763 1.00 0.00 C ATOM 1014 NH1 ARG A 69 11.717 -16.039 -3.576 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.516 -17.985 -4.824 1.00 0.00 N ATOM 0 H ARG A 69 7.968 -13.227 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 69 9.973 -12.993 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.927 -11.612 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.909 -12.436 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.052 -14.400 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.349 -13.561 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.581 -14.212 -6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.776 -14.196 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 69 11.871 -16.462 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.862 -15.030 -3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.581 -16.575 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.508 -18.458 -5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.380 -18.521 -3.967 1.00 0.00 H new ATOM 1029 N ALA A 70 8.727 -10.295 -3.142 1.00 0.00 N ATOM 1030 CA ALA A 70 8.643 -8.951 -2.595 1.00 0.00 C ATOM 1031 C ALA A 70 8.609 -9.029 -1.067 1.00 0.00 C ATOM 1032 O ALA A 70 8.386 -10.098 -0.501 1.00 0.00 O ATOM 1033 CB ALA A 70 7.416 -8.241 -3.170 1.00 0.00 C ATOM 0 H ALA A 70 7.827 -10.752 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 70 9.519 -8.366 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.353 -7.233 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.503 -8.186 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.517 -8.797 -2.905 1.00 0.00 H new ATOM 1039 N GLN A 71 8.834 -7.882 -0.443 1.00 0.00 N ATOM 1040 CA GLN A 71 8.832 -7.806 1.008 1.00 0.00 C ATOM 1041 C GLN A 71 8.121 -6.534 1.472 1.00 0.00 C ATOM 1042 O GLN A 71 8.128 -5.524 0.771 1.00 0.00 O ATOM 1043 CB GLN A 71 10.257 -7.871 1.562 1.00 0.00 C ATOM 1044 CG GLN A 71 10.618 -9.298 1.982 1.00 0.00 C ATOM 1045 CD GLN A 71 10.688 -9.420 3.505 1.00 0.00 C ATOM 1046 OE1 GLN A 71 10.334 -8.515 4.243 1.00 0.00 O ATOM 1047 NE2 GLN A 71 11.162 -10.586 3.933 1.00 0.00 N ATOM 0 H GLN A 71 9.019 -6.997 -0.916 1.00 0.00 H new ATOM 0 HA GLN A 71 8.286 -8.666 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.961 -7.521 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.349 -7.202 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.876 -9.995 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.578 -9.577 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.440 -11.301 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.247 -10.766 4.933 1.00 0.00 H new ATOM 1056 N GLY A 72 7.523 -6.626 2.651 1.00 0.00 N ATOM 1057 CA GLY A 72 6.808 -5.495 3.217 1.00 0.00 C ATOM 1058 C GLY A 72 7.184 -5.288 4.686 1.00 0.00 C ATOM 1059 O GLY A 72 6.997 -6.182 5.510 1.00 0.00 O ATOM 0 H GLY A 72 7.519 -7.466 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.038 -4.594 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.734 -5.660 3.133 1.00 0.00 H new ATOM 1063 N SER A 73 7.707 -4.104 4.969 1.00 0.00 N ATOM 1064 CA SER A 73 8.111 -3.769 6.324 1.00 0.00 C ATOM 1065 C SER A 73 7.685 -2.338 6.658 1.00 0.00 C ATOM 1066 O SER A 73 7.405 -1.544 5.761 1.00 0.00 O ATOM 1067 CB SER A 73 9.622 -3.929 6.504 1.00 0.00 C ATOM 1068 OG SER A 73 10.027 -3.695 7.850 1.00 0.00 O ATOM 0 H SER A 73 7.860 -3.365 4.283 1.00 0.00 H new ATOM 0 HA SER A 73 7.616 -4.458 7.009 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.918 -4.935 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.141 -3.235 5.843 1.00 0.00 H new ATOM 0 HG SER A 73 10.998 -3.808 7.924 1.00 0.00 H new ATOM 1074 N VAL A 74 7.650 -2.051 7.951 1.00 0.00 N ATOM 1075 CA VAL A 74 7.264 -0.729 8.414 1.00 0.00 C ATOM 1076 C VAL A 74 8.302 0.294 7.949 1.00 0.00 C ATOM 1077 O VAL A 74 9.426 -0.070 7.606 1.00 0.00 O ATOM 1078 CB VAL A 74 7.076 -0.741 9.933 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.588 0.619 10.436 1.00 0.00 C ATOM 1080 CG2 VAL A 74 6.120 -1.858 10.358 1.00 0.00 C ATOM 0 H VAL A 74 7.883 -2.712 8.693 1.00 0.00 H new ATOM 0 HA VAL A 74 6.306 -0.439 7.983 1.00 0.00 H new ATOM 0 HB VAL A 74 8.046 -0.938 10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.463 0.583 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.320 1.385 10.181 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.633 0.859 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.004 -1.845 11.442 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.149 -1.705 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.525 -2.821 10.048 1.00 0.00 H new ATOM 1090 N ALA A 75 7.888 1.552 7.951 1.00 0.00 N ATOM 1091 CA ALA A 75 8.768 2.630 7.533 1.00 0.00 C ATOM 1092 C ALA A 75 9.081 3.523 8.735 1.00 0.00 C ATOM 1093 O ALA A 75 8.913 4.739 8.671 1.00 0.00 O ATOM 1094 CB ALA A 75 8.118 3.405 6.385 1.00 0.00 C ATOM 0 H ALA A 75 6.955 1.849 8.235 1.00 0.00 H new ATOM 0 HA ALA A 75 9.713 2.231 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.779 4.214 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.944 2.733 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.168 3.822 6.719 1.00 0.00 H new ATOM 1223 N LYS A 82 2.224 8.659 10.309 1.00 0.00 N ATOM 1224 CA LYS A 82 2.144 7.505 11.188 1.00 0.00 C ATOM 1225 C LYS A 82 1.550 6.323 10.419 1.00 0.00 C ATOM 1226 O LYS A 82 0.807 6.515 9.457 1.00 0.00 O ATOM 1227 CB LYS A 82 1.376 7.855 12.465 1.00 0.00 C ATOM 1228 CG LYS A 82 2.210 8.758 13.376 1.00 0.00 C ATOM 1229 CD LYS A 82 1.355 9.340 14.503 1.00 0.00 C ATOM 1230 CE LYS A 82 2.190 10.242 15.415 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.131 11.645 14.949 1.00 0.00 N ATOM 0 HA LYS A 82 3.140 7.206 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.443 8.355 12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.111 6.941 12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.037 8.189 13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.646 9.567 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.528 9.910 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.918 8.531 15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.821 10.176 16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.225 9.900 15.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.703 12.244 15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.505 11.705 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.144 11.973 14.960 1.00 0.00 H new ATOM 1245 N HIS A 83 1.900 5.128 10.870 1.00 0.00 N ATOM 1246 CA HIS A 83 1.410 3.915 10.236 1.00 0.00 C ATOM 1247 C HIS A 83 1.840 3.895 8.768 1.00 0.00 C ATOM 1248 O HIS A 83 0.999 3.858 7.872 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.104 3.783 10.413 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.715 4.849 11.289 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.326 6.026 10.967 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.737 4.763 12.671 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.702 6.625 12.090 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -1.337 5.844 13.148 1.00 0.00 N flip ATOM 0 H HIS A 83 2.517 4.973 11.667 1.00 0.00 H new ATOM 0 HA HIS A 83 1.851 3.043 10.720 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.578 3.817 9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.326 2.805 10.840 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.469 6.385 10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.334 3.953 13.260 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.213 7.574 12.156 1.00 0.00 H new ATOM 1262 N VAL A 84 3.150 3.920 8.568 1.00 0.00 N ATOM 1263 CA VAL A 84 3.701 3.905 7.224 1.00 0.00 C ATOM 1264 C VAL A 84 4.681 2.737 7.092 1.00 0.00 C ATOM 1265 O VAL A 84 5.575 2.576 7.922 1.00 0.00 O ATOM 1266 CB VAL A 84 4.339 5.259 6.904 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.975 5.251 5.513 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.317 6.390 7.033 1.00 0.00 C ATOM 0 H VAL A 84 3.845 3.951 9.314 1.00 0.00 H new ATOM 0 HA VAL A 84 2.910 3.751 6.489 1.00 0.00 H new ATOM 0 HB VAL A 84 5.130 5.437 7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.421 6.225 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.747 4.483 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.211 5.040 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.796 7.341 6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.495 6.218 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.931 6.417 8.052 1.00 0.00 H new ATOM 1278 N PHE A 85 4.480 1.953 6.043 1.00 0.00 N ATOM 1279 CA PHE A 85 5.335 0.805 5.793 1.00 0.00 C ATOM 1280 C PHE A 85 5.873 0.825 4.360 1.00 0.00 C ATOM 1281 O PHE A 85 5.170 1.227 3.435 1.00 0.00 O ATOM 1282 CB PHE A 85 4.473 -0.444 5.984 1.00 0.00 C ATOM 1283 CG PHE A 85 3.239 -0.494 5.080 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.185 0.330 5.323 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.197 -1.362 4.034 1.00 0.00 C ATOM 1286 CE1 PHE A 85 1.040 0.284 4.484 1.00 0.00 C ATOM 1287 CE2 PHE A 85 2.053 -1.408 3.195 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.998 -0.584 3.438 1.00 0.00 C ATOM 0 H PHE A 85 3.738 2.090 5.357 1.00 0.00 H new ATOM 0 HA PHE A 85 6.187 0.819 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.084 -1.327 5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.151 -0.495 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.219 1.019 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.034 -2.016 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.203 0.938 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.020 -2.097 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.127 -0.619 2.800 1.00 0.00 H new ATOM 1298 N LYS A 86 7.115 0.384 4.223 1.00 0.00 N ATOM 1299 CA LYS A 86 7.755 0.346 2.919 1.00 0.00 C ATOM 1300 C LYS A 86 7.492 -1.012 2.266 1.00 0.00 C ATOM 1301 O LYS A 86 7.494 -2.041 2.941 1.00 0.00 O ATOM 1302 CB LYS A 86 9.241 0.691 3.042 1.00 0.00 C ATOM 1303 CG LYS A 86 9.898 0.782 1.663 1.00 0.00 C ATOM 1304 CD LYS A 86 11.405 1.017 1.788 1.00 0.00 C ATOM 1305 CE LYS A 86 11.700 2.446 2.249 1.00 0.00 C ATOM 1306 NZ LYS A 86 13.027 2.517 2.900 1.00 0.00 N ATOM 0 H LYS A 86 7.695 0.050 4.993 1.00 0.00 H new ATOM 0 HA LYS A 86 7.328 1.104 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.356 1.639 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.746 -0.067 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.715 -0.138 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.446 1.594 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.830 0.307 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.886 0.834 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.670 3.123 1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.929 2.776 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.211 3.493 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.043 1.886 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.761 2.222 2.225 1.00 0.00 H new ATOM 1320 N LEU A 87 7.271 -0.972 0.960 1.00 0.00 N ATOM 1321 CA LEU A 87 7.006 -2.187 0.208 1.00 0.00 C ATOM 1322 C LEU A 87 8.002 -2.293 -0.948 1.00 0.00 C ATOM 1323 O LEU A 87 7.814 -1.670 -1.993 1.00 0.00 O ATOM 1324 CB LEU A 87 5.542 -2.235 -0.234 1.00 0.00 C ATOM 1325 CG LEU A 87 5.168 -3.367 -1.193 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.268 -4.727 -0.501 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.784 -3.134 -1.803 1.00 0.00 C ATOM 0 H LEU A 87 7.270 -0.117 0.403 1.00 0.00 H new ATOM 0 HA LEU A 87 7.153 -3.065 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.917 -2.317 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.295 -1.286 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 87 5.885 -3.370 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.997 -5.514 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.290 -4.885 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.589 -4.752 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.543 -3.953 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.039 -3.089 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.783 -2.194 -2.355 1.00 0.00 H new ATOM 1339 N GLY A 88 9.039 -3.086 -0.724 1.00 0.00 N ATOM 1340 CA GLY A 88 10.065 -3.281 -1.734 1.00 0.00 C ATOM 1341 C GLY A 88 9.778 -4.529 -2.572 1.00 0.00 C ATOM 1342 O GLY A 88 9.806 -5.646 -2.058 1.00 0.00 O ATOM 0 H GLY A 88 9.191 -3.601 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.113 -2.406 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.039 -3.376 -1.254 1.00 0.00 H new ATOM 1346 N LEU A 89 9.509 -4.297 -3.848 1.00 0.00 N ATOM 1347 CA LEU A 89 9.217 -5.388 -4.763 1.00 0.00 C ATOM 1348 C LEU A 89 10.507 -6.155 -5.062 1.00 0.00 C ATOM 1349 O LEU A 89 11.525 -5.944 -4.405 1.00 0.00 O ATOM 1350 CB LEU A 89 8.509 -4.864 -6.014 1.00 0.00 C ATOM 1351 CG LEU A 89 7.176 -4.150 -5.780 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.239 -4.333 -6.976 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.531 -4.608 -4.471 1.00 0.00 C ATOM 0 H LEU A 89 9.487 -3.369 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 89 8.524 -6.094 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.182 -4.177 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.336 -5.703 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 89 7.372 -3.082 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.299 -3.816 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.705 -3.919 -7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.045 -5.395 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.585 -4.085 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.349 -5.682 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.198 -4.384 -3.639 1.00 0.00 H new ATOM 1365 N GLN A 90 10.421 -7.029 -6.054 1.00 0.00 N ATOM 1366 CA GLN A 90 11.568 -7.829 -6.448 1.00 0.00 C ATOM 1367 C GLN A 90 12.308 -7.160 -7.608 1.00 0.00 C ATOM 1368 O GLN A 90 13.463 -7.483 -7.881 1.00 0.00 O ATOM 1369 CB GLN A 90 11.144 -9.252 -6.816 1.00 0.00 C ATOM 1370 CG GLN A 90 10.335 -9.265 -8.114 1.00 0.00 C ATOM 1371 CD GLN A 90 10.458 -10.614 -8.824 1.00 0.00 C ATOM 1372 OE1 GLN A 90 9.305 -11.262 -8.960 1.00 0.00 O flip ATOM 1373 NE2 GLN A 90 11.530 -11.039 -9.223 1.00 0.00 N flip ATOM 0 H GLN A 90 9.575 -7.201 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 90 12.248 -7.896 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.027 -9.881 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.549 -9.678 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.287 -9.059 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.685 -8.470 -8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.379 -10.490 -9.086 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.577 -11.943 -9.693 1.00 0.00 H new ATOM 1382 N ASP A 91 11.612 -6.240 -8.260 1.00 0.00 N ATOM 1383 CA ASP A 91 12.188 -5.523 -9.385 1.00 0.00 C ATOM 1384 C ASP A 91 12.752 -4.187 -8.897 1.00 0.00 C ATOM 1385 O ASP A 91 12.748 -3.201 -9.633 1.00 0.00 O ATOM 1386 CB ASP A 91 11.131 -5.229 -10.451 1.00 0.00 C ATOM 1387 CG ASP A 91 11.685 -4.767 -11.800 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.346 -5.600 -12.457 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.434 -3.592 -12.144 1.00 0.00 O ATOM 0 H ASP A 91 10.654 -5.975 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 91 12.971 -6.146 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.535 -6.128 -10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.456 -4.462 -10.070 1.00 0.00 H new ATOM 1394 N GLY A 92 13.225 -4.197 -7.659 1.00 0.00 N ATOM 1395 CA GLY A 92 13.791 -2.998 -7.065 1.00 0.00 C ATOM 1396 C GLY A 92 12.764 -1.865 -7.031 1.00 0.00 C ATOM 1397 O GLY A 92 13.126 -0.692 -7.111 1.00 0.00 O ATOM 0 H GLY A 92 13.228 -5.016 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.131 -3.215 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.666 -2.684 -7.635 1.00 0.00 H new ATOM 1401 N LYS A 93 11.503 -2.255 -6.913 1.00 0.00 N ATOM 1402 CA LYS A 93 10.421 -1.287 -6.868 1.00 0.00 C ATOM 1403 C LYS A 93 9.986 -1.082 -5.416 1.00 0.00 C ATOM 1404 O LYS A 93 9.332 -1.945 -4.832 1.00 0.00 O ATOM 1405 CB LYS A 93 9.283 -1.712 -7.797 1.00 0.00 C ATOM 1406 CG LYS A 93 9.004 -0.637 -8.850 1.00 0.00 C ATOM 1407 CD LYS A 93 7.695 -0.921 -9.590 1.00 0.00 C ATOM 1408 CE LYS A 93 7.959 -1.279 -11.054 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.180 -0.397 -11.952 1.00 0.00 N ATOM 0 H LYS A 93 11.207 -3.229 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 93 10.760 -0.320 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.541 -2.650 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.381 -1.896 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.951 0.341 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.828 -0.598 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.167 -1.740 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.046 -0.047 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.023 -1.182 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.690 -2.320 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.371 -0.653 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.165 -0.510 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.456 0.593 -11.792 1.00 0.00 H new ATOM 1423 N GLU A 94 10.366 0.065 -4.873 1.00 0.00 N ATOM 1424 CA GLU A 94 10.023 0.394 -3.500 1.00 0.00 C ATOM 1425 C GLU A 94 8.847 1.372 -3.466 1.00 0.00 C ATOM 1426 O GLU A 94 8.792 2.311 -4.260 1.00 0.00 O ATOM 1427 CB GLU A 94 11.231 0.964 -2.754 1.00 0.00 C ATOM 1428 CG GLU A 94 12.214 -0.145 -2.375 1.00 0.00 C ATOM 1429 CD GLU A 94 13.617 0.161 -2.903 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.833 -0.079 -4.111 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.442 0.627 -2.088 1.00 0.00 O ATOM 0 H GLU A 94 10.909 0.779 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 94 9.723 -0.523 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.733 1.702 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.897 1.482 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.245 -0.253 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.869 -1.096 -2.780 1.00 0.00 H new ATOM 1438 N TYR A 95 7.934 1.119 -2.540 1.00 0.00 N ATOM 1439 CA TYR A 95 6.762 1.965 -2.392 1.00 0.00 C ATOM 1440 C TYR A 95 6.530 2.330 -0.925 1.00 0.00 C ATOM 1441 O TYR A 95 7.044 1.664 -0.027 1.00 0.00 O ATOM 1442 CB TYR A 95 5.578 1.137 -2.893 1.00 0.00 C ATOM 1443 CG TYR A 95 5.493 1.028 -4.417 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.039 2.098 -5.160 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.872 -0.139 -5.048 1.00 0.00 C ATOM 1446 CE1 TYR A 95 4.959 1.996 -6.595 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.793 -0.241 -6.482 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.340 0.832 -7.184 1.00 0.00 C ATOM 1449 OH TYR A 95 5.265 0.735 -8.539 1.00 0.00 O ATOM 0 H TYR A 95 7.982 0.339 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 95 6.887 2.894 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.645 0.134 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.655 1.579 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.744 3.012 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.228 -0.976 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.604 2.825 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.087 -1.149 -6.988 1.00 0.00 H new ATOM 0 HH TYR A 95 5.399 1.620 -8.938 1.00 0.00 H new ATOM 1459 N LEU A 96 5.756 3.387 -0.726 1.00 0.00 N ATOM 1460 CA LEU A 96 5.450 3.848 0.617 1.00 0.00 C ATOM 1461 C LEU A 96 3.942 4.072 0.744 1.00 0.00 C ATOM 1462 O LEU A 96 3.392 4.981 0.123 1.00 0.00 O ATOM 1463 CB LEU A 96 6.286 5.082 0.964 1.00 0.00 C ATOM 1464 CG LEU A 96 7.751 4.821 1.322 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.532 6.132 1.425 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.862 3.986 2.600 1.00 0.00 C ATOM 0 H LEU A 96 5.332 3.937 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 96 5.723 3.090 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.256 5.767 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.813 5.593 1.803 1.00 0.00 H new ATOM 0 HG LEU A 96 8.201 4.240 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.570 5.918 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.494 6.654 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.090 6.759 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.913 3.815 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.390 4.519 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.362 3.029 2.454 1.00 0.00 H new ATOM 1478 N PHE A 97 3.316 3.229 1.552 1.00 0.00 N ATOM 1479 CA PHE A 97 1.882 3.323 1.767 1.00 0.00 C ATOM 1480 C PHE A 97 1.569 3.690 3.219 1.00 0.00 C ATOM 1481 O PHE A 97 2.024 3.019 4.144 1.00 0.00 O ATOM 1482 CB PHE A 97 1.293 1.945 1.463 1.00 0.00 C ATOM 1483 CG PHE A 97 1.545 1.462 0.033 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.668 1.780 -0.957 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.646 0.715 -0.248 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.902 1.331 -2.283 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.880 0.266 -1.575 1.00 0.00 C ATOM 1488 CZ PHE A 97 2.003 0.584 -2.565 1.00 0.00 C ATOM 0 H PHE A 97 3.776 2.477 2.066 1.00 0.00 H new ATOM 0 HA PHE A 97 1.459 4.096 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.713 1.220 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.218 1.973 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.206 2.374 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.343 0.463 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.205 1.583 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.754 -0.328 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.181 0.243 -3.574 1.00 0.00 H new ATOM 1498 N GLN A 98 0.795 4.754 3.374 1.00 0.00 N ATOM 1499 CA GLN A 98 0.416 5.218 4.697 1.00 0.00 C ATOM 1500 C GLN A 98 -0.993 4.734 5.046 1.00 0.00 C ATOM 1501 O GLN A 98 -1.970 5.169 4.438 1.00 0.00 O ATOM 1502 CB GLN A 98 0.512 6.742 4.793 1.00 0.00 C ATOM 1503 CG GLN A 98 0.071 7.233 6.173 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.497 8.652 6.093 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.760 9.184 5.027 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.671 9.232 7.277 1.00 0.00 N ATOM 0 H GLN A 98 0.420 5.308 2.604 1.00 0.00 H new ATOM 0 HA GLN A 98 1.113 4.797 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.537 7.058 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.112 7.198 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.682 6.558 6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.919 7.215 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.430 8.730 8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.046 10.179 7.331 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.054 3.842 6.023 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.327 3.295 6.459 1.00 0.00 C ATOM 1517 C ALA A 99 -3.089 4.358 7.253 1.00 0.00 C ATOM 1518 O ALA A 99 -2.588 5.463 7.456 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.085 2.022 7.272 1.00 0.00 C ATOM 0 H ALA A 99 -0.242 3.484 6.525 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.941 3.021 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.041 1.612 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.568 1.288 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.474 2.257 8.143 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.286 3.986 7.681 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.122 4.894 8.449 1.00 0.00 C ATOM 1527 C LYS A 100 -4.734 4.811 9.926 1.00 0.00 C ATOM 1528 O LYS A 100 -4.775 5.812 10.640 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.602 4.613 8.184 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.176 3.663 9.238 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.668 3.417 9.000 1.00 0.00 C ATOM 1532 CE LYS A 100 -9.004 1.929 9.122 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.851 1.495 7.989 1.00 0.00 N ATOM 0 H LYS A 100 -4.697 3.068 7.511 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.956 5.924 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.161 5.549 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.721 4.177 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.638 2.715 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.027 4.084 10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.254 3.986 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.946 3.776 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.085 1.343 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.522 1.743 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.070 0.483 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.736 2.042 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.344 1.655 7.095 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.367 3.608 10.342 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.972 3.381 11.722 1.00 0.00 C ATOM 1549 C ASP A 101 -3.019 2.186 11.785 1.00 0.00 C ATOM 1550 O ASP A 101 -2.723 1.569 10.763 1.00 0.00 O ATOM 1551 CB ASP A 101 -5.187 3.064 12.597 1.00 0.00 C ATOM 1552 CG ASP A 101 -6.233 4.177 12.679 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.821 5.324 12.961 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -7.421 3.857 12.457 1.00 0.00 O ATOM 0 H ASP A 101 -4.335 2.780 9.748 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.490 4.287 12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.666 2.163 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.840 2.837 13.605 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.565 1.895 12.996 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.652 0.785 13.206 1.00 0.00 C ATOM 1561 C GLU A 102 -2.278 -0.519 12.707 1.00 0.00 C ATOM 1562 O GLU A 102 -1.596 -1.351 12.110 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.253 0.674 14.679 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.317 1.816 15.080 1.00 0.00 C ATOM 1565 CD GLU A 102 0.060 1.720 16.560 1.00 0.00 C ATOM 1566 OE1 GLU A 102 0.735 0.728 16.911 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -0.335 2.641 17.307 1.00 0.00 O ATOM 0 H GLU A 102 -2.813 2.409 13.841 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.745 0.972 12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.146 0.694 15.304 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.762 -0.283 14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.585 1.784 14.468 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.801 2.773 14.885 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.569 -0.657 12.971 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.294 -1.846 12.557 1.00 0.00 C ATOM 1576 C ALA A 103 -4.222 -1.978 11.035 1.00 0.00 C ATOM 1577 O ALA A 103 -3.613 -2.913 10.518 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.735 -1.769 13.068 1.00 0.00 C ATOM 0 H ALA A 103 -4.131 0.035 13.466 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.842 -2.740 12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.279 -2.661 12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.732 -1.706 14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.221 -0.885 12.655 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.852 -1.028 10.360 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.866 -1.026 8.907 1.00 0.00 C ATOM 1586 C GLU A 104 -3.496 -1.433 8.362 1.00 0.00 C ATOM 1587 O GLU A 104 -3.401 -2.299 7.494 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.289 0.340 8.364 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.336 0.332 6.835 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.763 0.552 6.329 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.547 -0.419 6.402 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.038 1.686 5.880 1.00 0.00 O ATOM 0 H GLU A 104 -5.357 -0.254 10.792 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.601 -1.757 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.269 0.605 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.590 1.103 8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.683 1.112 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.956 -0.619 6.461 1.00 0.00 H new ATOM 1599 N MET A 105 -2.468 -0.787 8.894 1.00 0.00 N ATOM 1600 CA MET A 105 -1.107 -1.071 8.471 1.00 0.00 C ATOM 1601 C MET A 105 -0.737 -2.528 8.755 1.00 0.00 C ATOM 1602 O MET A 105 -0.615 -3.332 7.832 1.00 0.00 O ATOM 1603 CB MET A 105 -0.139 -0.145 9.212 1.00 0.00 C ATOM 1604 CG MET A 105 1.288 -0.312 8.687 1.00 0.00 C ATOM 1605 SD MET A 105 1.986 -1.841 9.290 1.00 0.00 S ATOM 1606 CE MET A 105 3.177 -1.201 10.455 1.00 0.00 C ATOM 0 H MET A 105 -2.550 -0.069 9.613 1.00 0.00 H new ATOM 0 HA MET A 105 -1.037 -0.901 7.397 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.456 0.891 9.091 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.166 -0.364 10.279 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.286 -0.309 7.597 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.903 0.529 9.007 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.643 -2.028 10.990 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.942 -0.637 9.921 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.674 -0.546 11.167 1.00 0.00 H new ATOM 1616 N SER A 106 -0.569 -2.825 10.035 1.00 0.00 N ATOM 1617 CA SER A 106 -0.216 -4.171 10.452 1.00 0.00 C ATOM 1618 C SER A 106 -0.874 -5.195 9.525 1.00 0.00 C ATOM 1619 O SER A 106 -0.216 -6.116 9.043 1.00 0.00 O ATOM 1620 CB SER A 106 -0.629 -4.425 11.903 1.00 0.00 C ATOM 1621 OG SER A 106 -2.039 -4.578 12.038 1.00 0.00 O ATOM 0 H SER A 106 -0.671 -2.156 10.798 1.00 0.00 H new ATOM 0 HA SER A 106 0.867 -4.276 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.130 -5.322 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.293 -3.596 12.526 1.00 0.00 H new ATOM 0 HG SER A 106 -2.494 -3.847 11.569 1.00 0.00 H new ATOM 1627 N SER A 107 -2.166 -5.001 9.304 1.00 0.00 N ATOM 1628 CA SER A 107 -2.921 -5.896 8.444 1.00 0.00 C ATOM 1629 C SER A 107 -2.309 -5.915 7.042 1.00 0.00 C ATOM 1630 O SER A 107 -1.959 -6.977 6.529 1.00 0.00 O ATOM 1631 CB SER A 107 -4.393 -5.482 8.374 1.00 0.00 C ATOM 1632 OG SER A 107 -5.254 -6.477 8.922 1.00 0.00 O ATOM 0 H SER A 107 -2.709 -4.237 9.706 1.00 0.00 H new ATOM 0 HA SER A 107 -2.873 -6.899 8.869 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.532 -4.545 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.668 -5.296 7.336 1.00 0.00 H new ATOM 0 HG SER A 107 -6.184 -6.175 8.860 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.197 -4.729 6.463 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.633 -4.597 5.131 1.00 0.00 C ATOM 1640 C TRP A 108 -0.379 -5.471 5.059 1.00 0.00 C ATOM 1641 O TRP A 108 -0.234 -6.280 4.144 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.357 -3.129 4.795 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.485 -2.447 4.019 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.240 -1.408 4.403 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.958 -2.798 2.702 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.161 -1.066 3.433 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.984 -1.939 2.366 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.532 -3.810 1.822 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.670 -2.003 1.147 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.228 -3.861 0.609 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.263 -3.003 0.256 1.00 0.00 C ATOM 0 H TRP A 108 -2.487 -3.850 6.892 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.341 -4.941 4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.184 -2.581 5.721 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.439 -3.067 4.211 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.140 -0.902 5.352 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.845 -0.312 3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.731 -4.493 2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.470 -1.318 0.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -2.941 -4.621 -0.103 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.751 -3.107 -0.702 1.00 0.00 H new ATOM 1662 N LEU A 109 0.494 -5.279 6.037 1.00 0.00 N ATOM 1663 CA LEU A 109 1.730 -6.041 6.097 1.00 0.00 C ATOM 1664 C LEU A 109 1.403 -7.535 6.118 1.00 0.00 C ATOM 1665 O LEU A 109 1.950 -8.306 5.330 1.00 0.00 O ATOM 1666 CB LEU A 109 2.586 -5.582 7.279 1.00 0.00 C ATOM 1667 CG LEU A 109 3.497 -4.380 7.020 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.744 -4.796 6.238 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.733 -3.252 6.324 1.00 0.00 C ATOM 0 H LEU A 109 0.370 -4.607 6.794 1.00 0.00 H new ATOM 0 HA LEU A 109 2.333 -5.859 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.923 -5.338 8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.205 -6.419 7.601 1.00 0.00 H new ATOM 0 HG LEU A 109 3.834 -3.994 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.374 -3.923 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.300 -5.539 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.447 -5.222 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.404 -2.410 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.347 -3.609 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.903 -2.932 6.954 1.00 0.00 H new ATOM 1681 N ARG A 110 0.512 -7.901 7.028 1.00 0.00 N ATOM 1682 CA ARG A 110 0.106 -9.289 7.162 1.00 0.00 C ATOM 1683 C ARG A 110 -0.469 -9.804 5.841 1.00 0.00 C ATOM 1684 O ARG A 110 -0.178 -10.926 5.429 1.00 0.00 O ATOM 1685 CB ARG A 110 -0.943 -9.452 8.265 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.542 -10.860 8.248 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.528 -11.050 9.403 1.00 0.00 C ATOM 1688 NE ARG A 110 -2.726 -12.492 9.667 1.00 0.00 N ATOM 1689 CZ ARG A 110 -1.916 -13.233 10.436 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -0.849 -12.672 11.021 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -2.174 -14.535 10.620 1.00 0.00 N ATOM 0 H ARG A 110 0.060 -7.260 7.680 1.00 0.00 H new ATOM 0 HA ARG A 110 0.990 -9.869 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.488 -9.258 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.734 -8.715 8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.050 -11.031 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.744 -11.599 8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.151 -10.556 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.482 -10.582 9.159 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.529 -12.951 9.237 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.653 -11.681 10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.233 -13.236 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.987 -14.962 10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.558 -15.099 11.205 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.275 -8.960 5.214 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.894 -9.315 3.948 1.00 0.00 C ATOM 1707 C VAL A 111 -0.819 -9.377 2.861 1.00 0.00 C ATOM 1708 O VAL A 111 -0.615 -10.421 2.243 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.020 -8.332 3.621 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.847 -8.823 2.432 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.907 -8.089 4.844 1.00 0.00 C ATOM 0 H VAL A 111 -1.514 -8.030 5.559 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.352 -10.302 4.010 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.566 -7.381 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.641 -8.106 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.204 -8.921 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.287 -9.792 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.699 -7.387 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.349 -9.032 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.306 -7.675 5.653 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.161 -8.245 2.659 1.00 0.00 N ATOM 1722 CA VAL A 112 0.888 -8.158 1.657 1.00 0.00 C ATOM 1723 C VAL A 112 1.796 -9.384 1.767 1.00 0.00 C ATOM 1724 O VAL A 112 2.220 -9.940 0.755 1.00 0.00 O ATOM 1725 CB VAL A 112 1.645 -6.837 1.806 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.859 -6.793 0.875 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.720 -5.644 1.557 1.00 0.00 C ATOM 0 H VAL A 112 -0.334 -7.380 3.172 1.00 0.00 H new ATOM 0 HA VAL A 112 0.460 -8.160 0.655 1.00 0.00 H new ATOM 0 HB VAL A 112 2.007 -6.772 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.380 -5.844 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.535 -7.613 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.528 -6.892 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.283 -4.717 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.315 -5.702 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.098 -5.661 2.277 1.00 0.00 H new ATOM 1737 N ASN A 113 2.070 -9.769 3.005 1.00 0.00 N ATOM 1738 CA ASN A 113 2.921 -10.918 3.261 1.00 0.00 C ATOM 1739 C ASN A 113 2.176 -12.196 2.868 1.00 0.00 C ATOM 1740 O ASN A 113 2.773 -13.125 2.326 1.00 0.00 O ATOM 1741 CB ASN A 113 3.281 -11.018 4.744 1.00 0.00 C ATOM 1742 CG ASN A 113 4.617 -10.330 5.031 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.681 -10.922 4.945 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.504 -9.050 5.376 1.00 0.00 N ATOM 0 H ASN A 113 1.717 -9.305 3.842 1.00 0.00 H new ATOM 0 HA ASN A 113 3.833 -10.799 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.495 -10.559 5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.337 -12.066 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.339 -8.503 5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.583 -8.615 5.429 1.00 0.00 H new ATOM 1751 N ALA A 114 0.883 -12.202 3.158 1.00 0.00 N ATOM 1752 CA ALA A 114 0.051 -13.350 2.842 1.00 0.00 C ATOM 1753 C ALA A 114 -0.098 -13.465 1.324 1.00 0.00 C ATOM 1754 O ALA A 114 -0.449 -14.525 0.809 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.299 -13.213 3.551 1.00 0.00 C ATOM 0 H ALA A 114 0.392 -11.430 3.608 1.00 0.00 H new ATOM 0 HA ALA A 114 0.515 -14.269 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.924 -14.074 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.141 -13.165 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.795 -12.302 3.216 1.00 0.00 H new ATOM 1761 N ALA A 115 0.178 -12.359 0.649 1.00 0.00 N ATOM 1762 CA ALA A 115 0.080 -12.322 -0.800 1.00 0.00 C ATOM 1763 C ALA A 115 1.413 -12.764 -1.409 1.00 0.00 C ATOM 1764 O ALA A 115 1.437 -13.531 -2.370 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.328 -10.918 -1.249 1.00 0.00 C ATOM 0 H ALA A 115 0.470 -11.481 1.079 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.688 -13.012 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.401 -10.891 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.294 -10.663 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.420 -10.198 -0.918 1.00 0.00 H new ATOM 1771 N ILE A 116 2.490 -12.261 -0.824 1.00 0.00 N ATOM 1772 CA ILE A 116 3.823 -12.594 -1.296 1.00 0.00 C ATOM 1773 C ILE A 116 3.987 -14.115 -1.316 1.00 0.00 C ATOM 1774 O ILE A 116 4.253 -14.700 -2.365 1.00 0.00 O ATOM 1775 CB ILE A 116 4.883 -11.872 -0.462 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.962 -10.391 -0.838 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.241 -12.567 -0.580 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.657 -9.583 0.259 1.00 0.00 C ATOM 0 H ILE A 116 2.466 -11.625 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 116 3.963 -12.244 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 116 4.586 -11.922 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.505 -10.279 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.958 -10.000 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.976 -12.034 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.156 -13.594 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.559 -12.569 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.700 -8.534 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.098 -9.678 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.669 -9.961 0.403 1.00 0.00 H new ATOM 1790 N ALA A 117 3.821 -14.711 -0.144 1.00 0.00 N ATOM 1791 CA ALA A 117 3.948 -16.153 -0.014 1.00 0.00 C ATOM 1792 C ALA A 117 3.119 -16.834 -1.106 1.00 0.00 C ATOM 1793 O ALA A 117 3.656 -17.583 -1.921 1.00 0.00 O ATOM 1794 CB ALA A 117 3.521 -16.578 1.392 1.00 0.00 C ATOM 0 H ALA A 117 3.600 -14.222 0.723 1.00 0.00 H new ATOM 0 HA ALA A 117 4.985 -16.461 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.616 -17.659 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.158 -16.090 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.484 -16.288 1.560 1.00 0.00 H new ATOM 1800 N SER A 118 1.826 -16.549 -1.086 1.00 0.00 N ATOM 1801 CA SER A 118 0.918 -17.125 -2.064 1.00 0.00 C ATOM 1802 C SER A 118 1.266 -16.616 -3.464 1.00 0.00 C ATOM 1803 O SER A 118 0.689 -15.638 -3.935 1.00 0.00 O ATOM 1804 CB SER A 118 -0.537 -16.794 -1.726 1.00 0.00 C ATOM 1805 OG SER A 118 -1.174 -17.852 -1.016 1.00 0.00 O ATOM 0 H SER A 118 1.385 -15.927 -0.408 1.00 0.00 H new ATOM 0 HA SER A 118 1.031 -18.209 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.572 -15.883 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 118 -1.086 -16.593 -2.646 1.00 0.00 H new ATOM 0 HG SER A 118 -2.100 -17.601 -0.817 1.00 0.00 H new