USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 744 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 78 ASN : amide:sc= -2.47! K(o=-1.2!,f=1.1) USER MOD Set 1.2: A 82 THR OG1 : rot -59:sc= 1.24 USER MOD Single : A 25 TYR OH : rot -120:sc= 0.516 USER MOD Single : A 26 CYS SG : rot -88:sc= 1.04 USER MOD Single : A 28 GLN : amide:sc= -1.09 K(o=-1.1,f=1.2) USER MOD Single : A 30 TYR OH : rot 70:sc= 0.962 USER MOD Single : A 33 THR OG1 : rot 86:sc= 1.46 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=0.000678 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 44:sc= 1.28 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 50:sc= 0.335 USER MOD Single : A 57 SER OG : rot -62:sc= 1.35 USER MOD Single : A 64 ASN : amide:sc= 0.249 K(o=0.25,f=-5.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.86! K(o=-1.9!,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 105:sc= 1.17 USER MOD Single : A 90 HIS : no HE2:sc= -0.1 X(o=-0.1,f=-0.37) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.0177 (180deg=-0.132) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 126:sc= 1.2 USER MOD Single : A 107 SER OG : rot -77:sc= 1.4 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.384 K(o=0.38,f=-0.24) USER MOD Single : A 114 THR OG1 : rot -73:sc= -1.5 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.670 5.924 4.835 1.00 0.00 N ATOM 76 CA TYR A 25 6.562 4.463 4.933 1.00 0.00 C ATOM 77 C TYR A 25 5.215 4.035 5.490 1.00 0.00 C ATOM 78 O TYR A 25 5.108 3.044 6.206 1.00 0.00 O ATOM 79 CB TYR A 25 7.721 3.869 5.767 1.00 0.00 C ATOM 80 CG TYR A 25 9.086 3.989 5.115 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.709 2.878 4.582 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.744 5.208 5.035 1.00 0.00 C ATOM 83 CE1 TYR A 25 10.949 2.969 3.997 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.977 5.317 4.444 1.00 0.00 C ATOM 85 CZ TYR A 25 11.581 4.192 3.925 1.00 0.00 C ATOM 86 OH TYR A 25 12.832 4.288 3.357 1.00 0.00 O ATOM 0 HA TYR A 25 6.639 4.066 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.749 4.368 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.514 2.816 5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.213 1.920 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.275 6.090 5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.426 2.087 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.470 6.276 4.386 1.00 0.00 H new ATOM 0 HH TYR A 25 13.466 4.635 4.019 1.00 0.00 H new ATOM 96 N CYS A 26 4.185 4.721 5.086 1.00 0.00 N ATOM 97 CA CYS A 26 2.867 4.382 5.527 1.00 0.00 C ATOM 98 C CYS A 26 2.028 4.114 4.310 1.00 0.00 C ATOM 99 O CYS A 26 2.221 4.748 3.264 1.00 0.00 O ATOM 100 CB CYS A 26 2.220 5.555 6.268 1.00 0.00 C ATOM 101 SG CYS A 26 3.184 6.304 7.613 1.00 0.00 S ATOM 0 H CYS A 26 4.234 5.518 4.452 1.00 0.00 H new ATOM 0 HA CYS A 26 2.930 3.519 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.992 6.333 5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.270 5.215 6.679 1.00 0.00 H new ATOM 0 HG CYS A 26 2.944 5.671 8.723 1.00 0.00 H new ATOM 106 N LEU A 27 1.131 3.188 4.426 1.00 0.00 N ATOM 107 CA LEU A 27 0.199 2.918 3.380 1.00 0.00 C ATOM 108 C LEU A 27 -1.052 3.672 3.714 1.00 0.00 C ATOM 109 O LEU A 27 -1.653 3.437 4.767 1.00 0.00 O ATOM 110 CB LEU A 27 -0.082 1.417 3.283 1.00 0.00 C ATOM 111 CG LEU A 27 -1.037 0.959 2.190 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.560 1.371 0.820 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.196 -0.515 2.245 1.00 0.00 C ATOM 0 H LEU A 27 1.024 2.597 5.250 1.00 0.00 H new ATOM 0 HA LEU A 27 0.595 3.230 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.869 0.904 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.481 1.085 4.242 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.999 1.441 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.270 1.025 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.483 2.457 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.417 0.929 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.881 -0.837 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.227 -0.991 2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.598 -0.802 3.217 1.00 0.00 H new ATOM 125 N GLN A 28 -1.415 4.615 2.892 1.00 0.00 N ATOM 126 CA GLN A 28 -2.573 5.396 3.187 1.00 0.00 C ATOM 127 C GLN A 28 -3.662 5.036 2.243 1.00 0.00 C ATOM 128 O GLN A 28 -3.496 5.086 1.009 1.00 0.00 O ATOM 129 CB GLN A 28 -2.245 6.864 3.058 1.00 0.00 C ATOM 130 CG GLN A 28 -1.111 7.293 3.957 1.00 0.00 C ATOM 131 CD GLN A 28 -0.559 8.645 3.570 1.00 0.00 C ATOM 132 OE1 GLN A 28 -0.967 9.685 4.079 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.345 8.635 2.633 1.00 0.00 N ATOM 0 H GLN A 28 -0.932 4.856 2.026 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.898 5.195 4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.984 7.083 2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.132 7.452 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.460 7.326 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.314 6.551 3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.658 7.749 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.740 9.513 2.296 1.00 0.00 H new ATOM 142 N LEU A 29 -4.752 4.661 2.801 1.00 0.00 N ATOM 143 CA LEU A 29 -5.895 4.338 2.044 1.00 0.00 C ATOM 144 C LEU A 29 -6.939 5.393 2.242 1.00 0.00 C ATOM 145 O LEU A 29 -7.397 5.621 3.372 1.00 0.00 O ATOM 146 CB LEU A 29 -6.406 2.943 2.364 1.00 0.00 C ATOM 147 CG LEU A 29 -5.372 1.815 2.200 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.726 1.423 3.517 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.965 0.627 1.524 1.00 0.00 C ATOM 0 H LEU A 29 -4.874 4.570 3.810 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.629 4.319 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.771 2.933 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.259 2.729 1.720 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.582 2.211 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.005 0.624 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.216 2.287 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.493 1.077 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.208 -0.151 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.798 0.249 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.324 0.913 0.535 1.00 0.00 H new ATOM 161 N TYR A 30 -7.300 6.033 1.178 1.00 0.00 N ATOM 162 CA TYR A 30 -8.232 7.130 1.210 1.00 0.00 C ATOM 163 C TYR A 30 -9.624 6.632 1.104 1.00 0.00 C ATOM 164 O TYR A 30 -9.878 5.597 0.475 1.00 0.00 O ATOM 165 CB TYR A 30 -7.942 8.126 0.105 1.00 0.00 C ATOM 166 CG TYR A 30 -6.629 8.836 0.288 1.00 0.00 C ATOM 167 CD1 TYR A 30 -5.450 8.295 -0.203 1.00 0.00 C ATOM 168 CD2 TYR A 30 -6.564 10.040 0.969 1.00 0.00 C ATOM 169 CE1 TYR A 30 -4.247 8.933 -0.021 1.00 0.00 C ATOM 170 CE2 TYR A 30 -5.362 10.688 1.154 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.208 10.128 0.658 1.00 0.00 C ATOM 172 OH TYR A 30 -3.008 10.766 0.835 1.00 0.00 O ATOM 0 H TYR A 30 -6.955 5.811 0.244 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.115 7.642 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.938 7.607 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.745 8.862 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.478 7.357 -0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.470 10.478 1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.337 8.499 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.326 11.628 1.684 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.692 11.113 -0.025 1.00 0.00 H new ATOM 182 N ASP A 31 -10.524 7.359 1.694 1.00 0.00 N ATOM 183 CA ASP A 31 -11.898 6.953 1.762 1.00 0.00 C ATOM 184 C ASP A 31 -12.563 7.075 0.408 1.00 0.00 C ATOM 185 O ASP A 31 -13.248 6.164 -0.042 1.00 0.00 O ATOM 186 CB ASP A 31 -12.643 7.762 2.819 1.00 0.00 C ATOM 187 CG ASP A 31 -14.054 7.282 3.037 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.981 7.822 2.428 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.259 6.358 3.849 1.00 0.00 O ATOM 0 H ASP A 31 -10.327 8.253 2.144 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.933 5.904 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.097 7.710 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.663 8.810 2.520 1.00 0.00 H new ATOM 194 N GLU A 32 -12.314 8.161 -0.257 1.00 0.00 N ATOM 195 CA GLU A 32 -12.880 8.400 -1.551 1.00 0.00 C ATOM 196 C GLU A 32 -11.803 8.319 -2.606 1.00 0.00 C ATOM 197 O GLU A 32 -10.627 8.065 -2.285 1.00 0.00 O ATOM 198 CB GLU A 32 -13.635 9.723 -1.570 1.00 0.00 C ATOM 199 CG GLU A 32 -14.898 9.664 -0.719 1.00 0.00 C ATOM 200 CD GLU A 32 -15.643 10.960 -0.637 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.393 11.293 -1.575 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.533 11.658 0.374 1.00 0.00 O ATOM 0 H GLU A 32 -11.710 8.910 0.083 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.612 7.626 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.986 10.518 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.900 9.976 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.562 8.901 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.629 9.348 0.289 1.00 0.00 H new ATOM 209 N THR A 33 -12.173 8.477 -3.848 1.00 0.00 N ATOM 210 CA THR A 33 -11.254 8.363 -4.920 1.00 0.00 C ATOM 211 C THR A 33 -10.381 9.618 -5.031 1.00 0.00 C ATOM 212 O THR A 33 -10.640 10.613 -4.335 1.00 0.00 O ATOM 213 CB THR A 33 -12.039 8.104 -6.205 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.248 8.881 -6.164 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.399 6.640 -6.332 1.00 0.00 C ATOM 0 H THR A 33 -13.129 8.689 -4.134 1.00 0.00 H new ATOM 0 HA THR A 33 -10.576 7.529 -4.741 1.00 0.00 H new ATOM 0 HB THR A 33 -11.424 8.384 -7.060 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.068 9.784 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.957 6.481 -7.255 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.488 6.042 -6.352 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.011 6.341 -5.481 1.00 0.00 H new ATOM 223 N TYR A 34 -9.337 9.556 -5.884 1.00 0.00 N ATOM 224 CA TYR A 34 -8.403 10.676 -6.167 1.00 0.00 C ATOM 225 C TYR A 34 -7.877 11.386 -4.911 1.00 0.00 C ATOM 226 O TYR A 34 -7.656 12.598 -4.918 1.00 0.00 O ATOM 227 CB TYR A 34 -8.955 11.664 -7.258 1.00 0.00 C ATOM 228 CG TYR A 34 -10.384 12.159 -7.067 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.454 11.363 -7.447 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.661 13.396 -6.512 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.746 11.771 -7.280 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.964 13.815 -6.345 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.001 12.998 -6.730 1.00 0.00 C ATOM 234 OH TYR A 34 -14.297 13.414 -6.568 1.00 0.00 O ATOM 0 H TYR A 34 -9.112 8.710 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.520 10.209 -6.603 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.296 12.531 -7.297 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.892 11.171 -8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.260 10.396 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.849 14.039 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.562 11.130 -7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.170 14.783 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.306 14.306 -6.163 1.00 0.00 H new ATOM 244 N GLU A 35 -7.634 10.587 -3.857 1.00 0.00 N ATOM 245 CA GLU A 35 -7.126 11.050 -2.558 1.00 0.00 C ATOM 246 C GLU A 35 -8.129 11.911 -1.804 1.00 0.00 C ATOM 247 O GLU A 35 -7.749 12.727 -0.967 1.00 0.00 O ATOM 248 CB GLU A 35 -5.763 11.762 -2.654 1.00 0.00 C ATOM 249 CG GLU A 35 -4.605 10.865 -3.057 1.00 0.00 C ATOM 250 CD GLU A 35 -3.278 11.572 -2.924 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.657 11.494 -1.844 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.848 12.242 -3.883 1.00 0.00 O ATOM 0 H GLU A 35 -7.790 9.579 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.972 10.138 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.843 12.575 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.536 12.214 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.604 9.970 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.741 10.537 -4.087 1.00 0.00 H new ATOM 259 N ARG A 36 -9.393 11.724 -2.063 1.00 0.00 N ATOM 260 CA ARG A 36 -10.392 12.444 -1.324 1.00 0.00 C ATOM 261 C ARG A 36 -10.862 11.705 -0.086 1.00 0.00 C ATOM 262 O ARG A 36 -10.667 10.483 0.060 1.00 0.00 O ATOM 263 CB ARG A 36 -11.571 12.875 -2.167 1.00 0.00 C ATOM 264 CG ARG A 36 -11.367 14.169 -2.919 1.00 0.00 C ATOM 265 CD ARG A 36 -12.718 14.831 -3.185 1.00 0.00 C ATOM 266 NE ARG A 36 -13.442 15.022 -1.919 1.00 0.00 N ATOM 267 CZ ARG A 36 -14.459 14.255 -1.514 1.00 0.00 C ATOM 268 NH1 ARG A 36 -15.136 13.529 -2.391 1.00 0.00 N ATOM 269 NH2 ARG A 36 -14.841 14.273 -0.250 1.00 0.00 N ATOM 0 H ARG A 36 -9.754 11.086 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.884 13.351 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.796 12.085 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.444 12.979 -1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.731 14.839 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.854 13.976 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.571 15.792 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.308 14.213 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.150 15.788 -1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.882 13.554 -3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.912 12.945 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.360 14.873 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.617 13.687 0.057 1.00 0.00 H new ATOM 283 N GLY A 37 -11.484 12.452 0.795 1.00 0.00 N ATOM 284 CA GLY A 37 -11.953 11.937 2.037 1.00 0.00 C ATOM 285 C GLY A 37 -10.835 11.922 3.035 1.00 0.00 C ATOM 286 O GLY A 37 -9.854 12.672 2.892 1.00 0.00 O ATOM 0 H GLY A 37 -11.676 13.444 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.775 12.549 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.343 10.929 1.899 1.00 0.00 H new ATOM 290 N SER A 38 -10.965 11.125 4.039 1.00 0.00 N ATOM 291 CA SER A 38 -9.911 10.944 4.973 1.00 0.00 C ATOM 292 C SER A 38 -9.136 9.696 4.574 1.00 0.00 C ATOM 293 O SER A 38 -9.498 9.024 3.607 1.00 0.00 O ATOM 294 CB SER A 38 -10.467 10.861 6.400 1.00 0.00 C ATOM 295 OG SER A 38 -11.511 9.908 6.501 1.00 0.00 O ATOM 0 H SER A 38 -11.805 10.581 4.235 1.00 0.00 H new ATOM 0 HA SER A 38 -9.231 11.796 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.665 10.596 7.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.837 11.840 6.704 1.00 0.00 H new ATOM 0 HG SER A 38 -11.840 9.880 7.424 1.00 0.00 H new ATOM 301 N TYR A 39 -8.103 9.391 5.275 1.00 0.00 N ATOM 302 CA TYR A 39 -7.285 8.255 4.949 1.00 0.00 C ATOM 303 C TYR A 39 -6.910 7.545 6.224 1.00 0.00 C ATOM 304 O TYR A 39 -7.092 8.088 7.324 1.00 0.00 O ATOM 305 CB TYR A 39 -6.015 8.695 4.187 1.00 0.00 C ATOM 306 CG TYR A 39 -5.075 9.527 5.016 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.292 10.884 5.209 1.00 0.00 C ATOM 308 CD2 TYR A 39 -3.990 8.942 5.637 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.455 11.620 6.005 1.00 0.00 C ATOM 310 CE2 TYR A 39 -3.149 9.672 6.418 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.384 11.003 6.605 1.00 0.00 C ATOM 312 OH TYR A 39 -2.560 11.717 7.415 1.00 0.00 O ATOM 0 H TYR A 39 -7.792 9.916 6.093 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.845 7.581 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.488 7.809 3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.309 9.264 3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.130 11.365 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.806 7.887 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.635 12.674 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.299 9.200 6.888 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.853 11.132 7.760 1.00 0.00 H new ATOM 322 N ILE A 40 -6.406 6.376 6.101 1.00 0.00 N ATOM 323 CA ILE A 40 -5.972 5.629 7.240 1.00 0.00 C ATOM 324 C ILE A 40 -4.463 5.493 7.146 1.00 0.00 C ATOM 325 O ILE A 40 -3.905 5.527 6.043 1.00 0.00 O ATOM 326 CB ILE A 40 -6.639 4.213 7.272 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.314 3.464 8.582 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.198 3.400 6.065 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.986 2.109 8.711 1.00 0.00 C ATOM 0 H ILE A 40 -6.278 5.900 5.208 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.261 6.144 8.156 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.720 4.348 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.235 3.329 8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.612 4.086 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.668 2.417 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.495 3.915 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.114 3.285 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.704 1.652 9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.068 2.235 8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.669 1.466 7.890 1.00 0.00 H new ATOM 341 N GLU A 41 -3.814 5.380 8.266 1.00 0.00 N ATOM 342 CA GLU A 41 -2.402 5.203 8.280 1.00 0.00 C ATOM 343 C GLU A 41 -2.127 3.773 8.643 1.00 0.00 C ATOM 344 O GLU A 41 -2.596 3.277 9.683 1.00 0.00 O ATOM 345 CB GLU A 41 -1.772 6.126 9.326 1.00 0.00 C ATOM 346 CG GLU A 41 -1.900 7.606 9.019 1.00 0.00 C ATOM 347 CD GLU A 41 -1.447 8.474 10.163 1.00 0.00 C ATOM 348 OE1 GLU A 41 -0.260 8.425 10.534 1.00 0.00 O ATOM 349 OE2 GLU A 41 -2.273 9.243 10.707 1.00 0.00 O ATOM 0 H GLU A 41 -4.250 5.408 9.188 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.979 5.443 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.234 5.927 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.715 5.878 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.311 7.842 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.939 7.836 8.782 1.00 0.00 H new ATOM 356 N VAL A 42 -1.387 3.117 7.802 1.00 0.00 N ATOM 357 CA VAL A 42 -1.027 1.751 8.003 1.00 0.00 C ATOM 358 C VAL A 42 0.471 1.655 7.983 1.00 0.00 C ATOM 359 O VAL A 42 1.120 2.238 7.106 1.00 0.00 O ATOM 360 CB VAL A 42 -1.645 0.843 6.908 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.240 -0.600 7.101 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.157 0.965 6.893 1.00 0.00 C ATOM 0 H VAL A 42 -1.012 3.524 6.945 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.414 1.408 8.962 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.259 1.181 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.689 -1.212 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.154 -0.683 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.584 -0.947 8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.566 0.319 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.556 0.665 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.437 1.999 6.689 1.00 0.00 H new ATOM 372 N TYR A 43 1.018 0.948 8.941 1.00 0.00 N ATOM 373 CA TYR A 43 2.453 0.872 9.095 1.00 0.00 C ATOM 374 C TYR A 43 2.926 -0.561 9.026 1.00 0.00 C ATOM 375 O TYR A 43 4.125 -0.824 9.028 1.00 0.00 O ATOM 376 CB TYR A 43 2.836 1.410 10.464 1.00 0.00 C ATOM 377 CG TYR A 43 2.197 2.725 10.830 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.634 3.918 10.283 1.00 0.00 C ATOM 379 CD2 TYR A 43 1.165 2.763 11.756 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.066 5.113 10.657 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.585 3.953 12.125 1.00 0.00 C ATOM 382 CZ TYR A 43 1.043 5.126 11.577 1.00 0.00 C ATOM 383 OH TYR A 43 0.492 6.326 11.980 1.00 0.00 O ATOM 0 H TYR A 43 0.489 0.414 9.630 1.00 0.00 H new ATOM 0 HA TYR A 43 2.911 1.452 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.567 0.670 11.218 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.919 1.526 10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.431 3.911 9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.811 1.842 12.195 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.422 6.039 10.230 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.224 3.966 12.840 1.00 0.00 H new ATOM 0 HH TYR A 43 0.344 6.897 11.198 1.00 0.00 H new ATOM 393 N LYS A 44 1.999 -1.474 8.968 1.00 0.00 N ATOM 394 CA LYS A 44 2.319 -2.879 9.040 1.00 0.00 C ATOM 395 C LYS A 44 1.517 -3.647 8.022 1.00 0.00 C ATOM 396 O LYS A 44 0.529 -3.147 7.504 1.00 0.00 O ATOM 397 CB LYS A 44 2.001 -3.416 10.448 1.00 0.00 C ATOM 398 CG LYS A 44 0.533 -3.304 10.831 1.00 0.00 C ATOM 399 CD LYS A 44 0.262 -3.882 12.201 1.00 0.00 C ATOM 400 CE LYS A 44 -1.210 -3.768 12.541 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.537 -4.362 13.853 1.00 0.00 N ATOM 0 H LYS A 44 1.004 -1.272 8.870 1.00 0.00 H new ATOM 0 HA LYS A 44 3.381 -3.007 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.303 -4.462 10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.600 -2.872 11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.232 -2.257 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.076 -3.823 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.568 -4.928 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.856 -3.356 12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.499 -2.717 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.797 -4.261 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.555 -4.258 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.288 -5.372 13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.999 -3.876 14.598 1.00 0.00 H new ATOM 415 N SER A 45 1.943 -4.829 7.731 1.00 0.00 N ATOM 416 CA SER A 45 1.210 -5.685 6.862 1.00 0.00 C ATOM 417 C SER A 45 0.171 -6.476 7.666 1.00 0.00 C ATOM 418 O SER A 45 0.446 -6.907 8.796 1.00 0.00 O ATOM 419 CB SER A 45 2.172 -6.578 6.085 1.00 0.00 C ATOM 420 OG SER A 45 3.231 -7.067 6.905 1.00 0.00 O ATOM 0 H SER A 45 2.810 -5.229 8.089 1.00 0.00 H new ATOM 0 HA SER A 45 0.660 -5.098 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.623 -7.420 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.591 -6.018 5.249 1.00 0.00 H new ATOM 0 HG SER A 45 3.823 -7.636 6.370 1.00 0.00 H new ATOM 426 N VAL A 46 -1.002 -6.643 7.109 1.00 0.00 N ATOM 427 CA VAL A 46 -2.090 -7.285 7.797 1.00 0.00 C ATOM 428 C VAL A 46 -2.520 -8.532 7.023 1.00 0.00 C ATOM 429 O VAL A 46 -2.678 -8.490 5.800 1.00 0.00 O ATOM 430 CB VAL A 46 -3.292 -6.302 7.977 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.952 -5.944 6.659 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.290 -6.825 8.990 1.00 0.00 C ATOM 0 H VAL A 46 -1.228 -6.336 6.163 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.754 -7.582 8.791 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.883 -5.373 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.780 -5.259 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.223 -5.466 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.328 -6.849 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.112 -6.116 9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.678 -7.787 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.798 -6.949 9.955 1.00 0.00 H new ATOM 442 N GLY A 47 -2.714 -9.617 7.714 1.00 0.00 N ATOM 443 CA GLY A 47 -3.046 -10.853 7.053 1.00 0.00 C ATOM 444 C GLY A 47 -4.533 -11.099 6.964 1.00 0.00 C ATOM 445 O GLY A 47 -4.981 -11.947 6.182 1.00 0.00 O ATOM 0 H GLY A 47 -2.649 -9.676 8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.625 -10.844 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.579 -11.680 7.587 1.00 0.00 H new ATOM 449 N SER A 48 -5.303 -10.378 7.738 1.00 0.00 N ATOM 450 CA SER A 48 -6.726 -10.541 7.705 1.00 0.00 C ATOM 451 C SER A 48 -7.432 -9.294 8.201 1.00 0.00 C ATOM 452 O SER A 48 -7.140 -8.775 9.287 1.00 0.00 O ATOM 453 CB SER A 48 -7.146 -11.766 8.526 1.00 0.00 C ATOM 454 OG SER A 48 -8.541 -12.001 8.450 1.00 0.00 O ATOM 0 H SER A 48 -4.966 -9.675 8.396 1.00 0.00 H new ATOM 0 HA SER A 48 -7.023 -10.702 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.610 -12.645 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.859 -11.621 9.567 1.00 0.00 H new ATOM 0 HG SER A 48 -8.769 -12.790 8.984 1.00 0.00 H new ATOM 460 N LEU A 49 -8.341 -8.823 7.400 1.00 0.00 N ATOM 461 CA LEU A 49 -9.168 -7.683 7.706 1.00 0.00 C ATOM 462 C LEU A 49 -10.617 -8.099 7.661 1.00 0.00 C ATOM 463 O LEU A 49 -11.102 -8.574 6.635 1.00 0.00 O ATOM 464 CB LEU A 49 -8.927 -6.604 6.652 1.00 0.00 C ATOM 465 CG LEU A 49 -7.545 -5.977 6.666 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.337 -5.127 5.436 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.373 -5.142 7.917 1.00 0.00 C ATOM 0 H LEU A 49 -8.537 -9.231 6.486 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.924 -7.300 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.101 -7.037 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.667 -5.815 6.788 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.799 -6.771 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.341 -4.685 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.435 -5.747 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.085 -4.334 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.379 -4.694 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.126 -4.354 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.490 -5.776 8.796 1.00 0.00 H new ATOM 479 N SER A 50 -11.286 -7.990 8.776 1.00 0.00 N ATOM 480 CA SER A 50 -12.694 -8.246 8.854 1.00 0.00 C ATOM 481 C SER A 50 -13.382 -7.106 9.619 1.00 0.00 C ATOM 482 O SER A 50 -13.076 -6.874 10.788 1.00 0.00 O ATOM 483 CB SER A 50 -12.960 -9.585 9.512 1.00 0.00 C ATOM 484 OG SER A 50 -12.201 -10.608 8.867 1.00 0.00 O ATOM 0 H SER A 50 -10.863 -7.718 9.663 1.00 0.00 H new ATOM 0 HA SER A 50 -13.106 -8.289 7.846 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.697 -9.538 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.023 -9.821 9.458 1.00 0.00 H new ATOM 0 HG SER A 50 -12.378 -11.469 9.300 1.00 0.00 H new ATOM 490 N PRO A 51 -14.258 -6.338 8.966 1.00 0.00 N ATOM 491 CA PRO A 51 -14.557 -6.502 7.545 1.00 0.00 C ATOM 492 C PRO A 51 -13.411 -5.952 6.679 1.00 0.00 C ATOM 493 O PRO A 51 -12.552 -5.199 7.186 1.00 0.00 O ATOM 494 CB PRO A 51 -15.819 -5.656 7.357 1.00 0.00 C ATOM 495 CG PRO A 51 -15.724 -4.599 8.398 1.00 0.00 C ATOM 496 CD PRO A 51 -15.038 -5.238 9.571 1.00 0.00 C ATOM 0 HA PRO A 51 -14.685 -7.544 7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.861 -5.224 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.720 -6.256 7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.158 -3.742 8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.713 -4.234 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.394 -4.530 10.092 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.757 -5.611 10.300 1.00 0.00 H new ATOM 504 N PRO A 52 -13.342 -6.343 5.397 1.00 0.00 N ATOM 505 CA PRO A 52 -12.313 -5.845 4.487 1.00 0.00 C ATOM 506 C PRO A 52 -12.438 -4.329 4.318 1.00 0.00 C ATOM 507 O PRO A 52 -13.536 -3.750 4.510 1.00 0.00 O ATOM 508 CB PRO A 52 -12.609 -6.565 3.158 1.00 0.00 C ATOM 509 CG PRO A 52 -14.016 -7.027 3.270 1.00 0.00 C ATOM 510 CD PRO A 52 -14.257 -7.287 4.729 1.00 0.00 C ATOM 0 HA PRO A 52 -11.302 -6.033 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.482 -5.893 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.930 -7.404 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.705 -6.272 2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.177 -7.930 2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.296 -7.104 5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.034 -8.320 4.996 1.00 0.00 H new ATOM 518 N TRP A 53 -11.370 -3.696 3.945 1.00 0.00 N ATOM 519 CA TRP A 53 -11.363 -2.263 3.820 1.00 0.00 C ATOM 520 C TRP A 53 -11.774 -1.880 2.448 1.00 0.00 C ATOM 521 O TRP A 53 -11.338 -2.489 1.489 1.00 0.00 O ATOM 522 CB TRP A 53 -9.977 -1.678 4.093 1.00 0.00 C ATOM 523 CG TRP A 53 -9.527 -1.751 5.526 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.311 -1.909 6.634 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.182 -1.636 6.008 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.536 -1.910 7.760 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.231 -1.740 7.407 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.941 -1.464 5.393 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.089 -1.672 8.201 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.811 -1.404 6.186 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.893 -1.507 7.573 1.00 0.00 C ATOM 0 H TRP A 53 -10.484 -4.148 3.719 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.061 -1.866 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.250 -2.201 3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.971 -0.634 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.385 -2.017 6.622 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.880 -2.021 8.714 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.865 -1.380 4.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.150 -1.748 9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.845 -1.275 5.721 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.989 -1.455 8.162 1.00 0.00 H new ATOM 542 N THR A 54 -12.621 -0.897 2.347 1.00 0.00 N ATOM 543 CA THR A 54 -13.060 -0.422 1.071 1.00 0.00 C ATOM 544 C THR A 54 -12.608 1.025 0.833 1.00 0.00 C ATOM 545 O THR A 54 -13.340 1.973 1.156 1.00 0.00 O ATOM 546 CB THR A 54 -14.594 -0.535 0.935 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.231 0.097 2.068 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.013 -1.990 0.868 1.00 0.00 C ATOM 0 H THR A 54 -13.024 -0.405 3.144 1.00 0.00 H new ATOM 0 HA THR A 54 -12.600 -1.053 0.310 1.00 0.00 H new ATOM 0 HB THR A 54 -14.901 -0.036 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.852 0.991 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.097 -2.052 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.545 -2.464 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.699 -2.501 1.778 1.00 0.00 H new ATOM 556 N PRO A 55 -11.356 1.229 0.409 1.00 0.00 N ATOM 557 CA PRO A 55 -10.858 2.546 0.080 1.00 0.00 C ATOM 558 C PRO A 55 -11.261 2.992 -1.327 1.00 0.00 C ATOM 559 O PRO A 55 -11.564 2.171 -2.206 1.00 0.00 O ATOM 560 CB PRO A 55 -9.353 2.364 0.155 1.00 0.00 C ATOM 561 CG PRO A 55 -9.147 0.971 -0.293 1.00 0.00 C ATOM 562 CD PRO A 55 -10.294 0.207 0.284 1.00 0.00 C ATOM 0 HA PRO A 55 -11.256 3.312 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.831 3.073 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.981 2.518 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.135 0.904 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.193 0.579 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.599 -0.613 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.041 -0.230 1.250 1.00 0.00 H new ATOM 570 N GLY A 56 -11.257 4.277 -1.532 1.00 0.00 N ATOM 571 CA GLY A 56 -11.554 4.815 -2.823 1.00 0.00 C ATOM 572 C GLY A 56 -10.289 4.975 -3.619 1.00 0.00 C ATOM 573 O GLY A 56 -10.287 4.853 -4.840 1.00 0.00 O ATOM 0 H GLY A 56 -11.050 4.973 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.244 4.156 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.051 5.779 -2.718 1.00 0.00 H new ATOM 577 N SER A 57 -9.204 5.217 -2.931 1.00 0.00 N ATOM 578 CA SER A 57 -7.928 5.382 -3.554 1.00 0.00 C ATOM 579 C SER A 57 -6.844 5.038 -2.558 1.00 0.00 C ATOM 580 O SER A 57 -7.066 5.108 -1.359 1.00 0.00 O ATOM 581 CB SER A 57 -7.774 6.809 -4.127 1.00 0.00 C ATOM 582 OG SER A 57 -8.074 7.810 -3.171 1.00 0.00 O ATOM 0 H SER A 57 -9.187 5.305 -1.915 1.00 0.00 H new ATOM 0 HA SER A 57 -7.839 4.702 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.753 6.946 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.432 6.925 -4.989 1.00 0.00 H new ATOM 0 HG SER A 57 -9.010 7.727 -2.894 1.00 0.00 H new ATOM 588 N VAL A 58 -5.709 4.619 -3.037 1.00 0.00 N ATOM 589 CA VAL A 58 -4.614 4.228 -2.172 1.00 0.00 C ATOM 590 C VAL A 58 -3.374 4.938 -2.655 1.00 0.00 C ATOM 591 O VAL A 58 -3.214 5.109 -3.860 1.00 0.00 O ATOM 592 CB VAL A 58 -4.364 2.688 -2.254 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.279 2.248 -1.289 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.643 1.895 -2.021 1.00 0.00 C ATOM 0 H VAL A 58 -5.508 4.536 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.855 4.489 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.021 2.477 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.132 1.171 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.348 2.761 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.577 2.495 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.427 0.829 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.039 2.125 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.380 2.163 -2.778 1.00 0.00 H new ATOM 604 N CYS A 59 -2.523 5.368 -1.760 1.00 0.00 N ATOM 605 CA CYS A 59 -1.298 5.995 -2.175 1.00 0.00 C ATOM 606 C CYS A 59 -0.163 5.678 -1.219 1.00 0.00 C ATOM 607 O CYS A 59 -0.380 5.462 -0.008 1.00 0.00 O ATOM 608 CB CYS A 59 -1.450 7.516 -2.338 1.00 0.00 C ATOM 609 SG CYS A 59 0.047 8.303 -3.031 1.00 0.00 S ATOM 0 H CYS A 59 -2.654 5.296 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.053 5.581 -3.153 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.300 7.725 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.674 7.961 -1.368 1.00 0.00 H new ATOM 614 N VAL A 60 1.023 5.610 -1.771 1.00 0.00 N ATOM 615 CA VAL A 60 2.238 5.418 -1.029 1.00 0.00 C ATOM 616 C VAL A 60 3.085 6.660 -1.256 1.00 0.00 C ATOM 617 O VAL A 60 3.366 7.003 -2.404 1.00 0.00 O ATOM 618 CB VAL A 60 3.022 4.173 -1.523 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.301 3.967 -0.715 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.151 2.934 -1.465 1.00 0.00 C ATOM 0 H VAL A 60 1.171 5.689 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 60 2.006 5.259 0.024 1.00 0.00 H new ATOM 0 HB VAL A 60 3.306 4.349 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.828 3.087 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.941 4.843 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.049 3.823 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.720 2.073 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.830 2.763 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.276 3.074 -2.100 1.00 0.00 H new ATOM 630 N PRO A 61 3.473 7.356 -0.192 1.00 0.00 N ATOM 631 CA PRO A 61 4.240 8.602 -0.296 1.00 0.00 C ATOM 632 C PRO A 61 5.637 8.385 -0.884 1.00 0.00 C ATOM 633 O PRO A 61 6.195 7.268 -0.837 1.00 0.00 O ATOM 634 CB PRO A 61 4.344 9.081 1.156 1.00 0.00 C ATOM 635 CG PRO A 61 4.174 7.846 1.963 1.00 0.00 C ATOM 636 CD PRO A 61 3.214 6.992 1.202 1.00 0.00 C ATOM 0 HA PRO A 61 3.759 9.316 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.306 9.554 1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.574 9.817 1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.127 7.335 2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.789 8.078 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.390 5.931 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.182 7.196 1.486 1.00 0.00 H new ATOM 644 N PHE A 62 6.187 9.429 -1.447 1.00 0.00 N ATOM 645 CA PHE A 62 7.501 9.381 -2.011 1.00 0.00 C ATOM 646 C PHE A 62 8.527 9.328 -0.894 1.00 0.00 C ATOM 647 O PHE A 62 8.419 10.046 0.114 1.00 0.00 O ATOM 648 CB PHE A 62 7.751 10.584 -2.935 1.00 0.00 C ATOM 649 CG PHE A 62 9.125 10.596 -3.556 1.00 0.00 C ATOM 650 CD1 PHE A 62 10.082 11.509 -3.142 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.461 9.681 -4.541 1.00 0.00 C ATOM 652 CE1 PHE A 62 11.347 11.511 -3.699 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.725 9.679 -5.103 1.00 0.00 C ATOM 654 CZ PHE A 62 11.669 10.595 -4.681 1.00 0.00 C ATOM 0 H PHE A 62 5.730 10.338 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 62 7.593 8.482 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.003 10.583 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.611 11.503 -2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.836 12.228 -2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.728 8.961 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.083 12.228 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.974 8.962 -5.871 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.657 10.595 -5.118 1.00 0.00 H new ATOM 664 N VAL A 63 9.494 8.467 -1.041 1.00 0.00 N ATOM 665 CA VAL A 63 10.483 8.324 -0.041 1.00 0.00 C ATOM 666 C VAL A 63 11.842 8.805 -0.520 1.00 0.00 C ATOM 667 O VAL A 63 12.411 8.286 -1.479 1.00 0.00 O ATOM 668 CB VAL A 63 10.555 6.878 0.518 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.669 6.758 1.503 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.234 6.499 1.172 1.00 0.00 C ATOM 0 H VAL A 63 9.608 7.857 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 63 10.181 8.966 0.787 1.00 0.00 H new ATOM 0 HB VAL A 63 10.745 6.195 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.707 5.738 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.614 6.998 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.501 7.450 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.298 5.482 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.023 7.187 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.433 6.556 0.435 1.00 0.00 H new ATOM 680 N ASN A 64 12.294 9.835 0.129 1.00 0.00 N ATOM 681 CA ASN A 64 13.605 10.415 -0.034 1.00 0.00 C ATOM 682 C ASN A 64 14.369 10.160 1.269 1.00 0.00 C ATOM 683 O ASN A 64 14.509 11.029 2.130 1.00 0.00 O ATOM 684 CB ASN A 64 13.500 11.943 -0.377 1.00 0.00 C ATOM 685 CG ASN A 64 12.650 12.768 0.623 1.00 0.00 C ATOM 686 OD1 ASN A 64 11.715 12.254 1.254 1.00 0.00 O ATOM 687 ND2 ASN A 64 12.934 14.033 0.746 1.00 0.00 N ATOM 0 H ASN A 64 11.732 10.324 0.826 1.00 0.00 H new ATOM 0 HA ASN A 64 14.139 9.961 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.505 12.364 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.072 12.050 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.383 14.621 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.708 14.436 0.217 1.00 0.00 H new ATOM 694 N ASP A 65 14.774 8.935 1.433 1.00 0.00 N ATOM 695 CA ASP A 65 15.339 8.446 2.685 1.00 0.00 C ATOM 696 C ASP A 65 16.694 7.778 2.483 1.00 0.00 C ATOM 697 O ASP A 65 16.933 7.164 1.447 1.00 0.00 O ATOM 698 CB ASP A 65 14.358 7.499 3.354 1.00 0.00 C ATOM 699 CG ASP A 65 14.873 6.922 4.628 1.00 0.00 C ATOM 700 OD1 ASP A 65 15.517 5.873 4.585 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.634 7.503 5.692 1.00 0.00 O ATOM 0 H ASP A 65 14.726 8.228 0.700 1.00 0.00 H new ATOM 0 HA ASP A 65 15.510 9.304 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.428 8.031 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.119 6.688 2.666 1.00 0.00 H new ATOM 706 N THR A 66 17.563 7.931 3.466 1.00 0.00 N ATOM 707 CA THR A 66 18.931 7.416 3.486 1.00 0.00 C ATOM 708 C THR A 66 19.048 5.864 3.225 1.00 0.00 C ATOM 709 O THR A 66 20.146 5.371 2.930 1.00 0.00 O ATOM 710 CB THR A 66 19.524 7.736 4.859 1.00 0.00 C ATOM 711 OG1 THR A 66 18.920 8.961 5.332 1.00 0.00 O ATOM 712 CG2 THR A 66 21.031 7.942 4.762 1.00 0.00 C ATOM 0 H THR A 66 17.327 8.442 4.317 1.00 0.00 H new ATOM 0 HA THR A 66 19.470 7.896 2.669 1.00 0.00 H new ATOM 0 HB THR A 66 19.328 6.907 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.284 9.186 6.214 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.432 8.168 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.498 7.034 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.242 8.771 4.086 1.00 0.00 H new ATOM 720 N LYS A 67 17.953 5.099 3.386 1.00 0.00 N ATOM 721 CA LYS A 67 17.973 3.647 3.062 1.00 0.00 C ATOM 722 C LYS A 67 18.182 3.415 1.560 1.00 0.00 C ATOM 723 O LYS A 67 18.189 4.363 0.756 1.00 0.00 O ATOM 724 CB LYS A 67 16.657 2.949 3.470 1.00 0.00 C ATOM 725 CG LYS A 67 16.362 2.902 4.959 1.00 0.00 C ATOM 726 CD LYS A 67 17.378 2.067 5.706 1.00 0.00 C ATOM 727 CE LYS A 67 17.051 2.009 7.180 1.00 0.00 C ATOM 728 NZ LYS A 67 18.022 1.194 7.928 1.00 0.00 N ATOM 0 H LYS A 67 17.058 5.445 3.731 1.00 0.00 H new ATOM 0 HA LYS A 67 18.803 3.223 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.831 3.456 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.679 1.927 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.358 3.915 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.365 2.491 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.398 1.058 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.374 2.488 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.035 3.020 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.051 1.596 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.761 1.180 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.019 0.223 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.973 1.602 7.822 1.00 0.00 H new ATOM 742 N ARG A 68 18.341 2.170 1.188 1.00 0.00 N ATOM 743 CA ARG A 68 18.475 1.799 -0.203 1.00 0.00 C ATOM 744 C ARG A 68 17.152 1.221 -0.677 1.00 0.00 C ATOM 745 O ARG A 68 16.814 1.272 -1.860 1.00 0.00 O ATOM 746 CB ARG A 68 19.586 0.746 -0.387 1.00 0.00 C ATOM 747 CG ARG A 68 20.996 1.223 -0.049 1.00 0.00 C ATOM 748 CD ARG A 68 22.014 0.105 -0.257 1.00 0.00 C ATOM 749 NE ARG A 68 23.406 0.558 -0.071 1.00 0.00 N ATOM 750 CZ ARG A 68 24.491 -0.241 -0.071 1.00 0.00 C ATOM 751 NH1 ARG A 68 24.352 -1.558 -0.115 1.00 0.00 N ATOM 752 NH2 ARG A 68 25.706 0.284 0.000 1.00 0.00 N ATOM 0 H ARG A 68 18.382 1.384 1.837 1.00 0.00 H new ATOM 0 HA ARG A 68 18.741 2.682 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.353 -0.118 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.573 0.405 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.255 2.077 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.031 1.564 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.804 -0.706 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.900 -0.302 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 68 23.559 1.557 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.420 -1.972 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 68 25.177 -2.158 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 68 25.822 1.296 0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 68 26.525 -0.324 -0.000 1.00 0.00 H new ATOM 766 N GLU A 69 16.423 0.673 0.270 1.00 0.00 N ATOM 767 CA GLU A 69 15.175 0.012 0.028 1.00 0.00 C ATOM 768 C GLU A 69 14.012 0.988 0.188 1.00 0.00 C ATOM 769 O GLU A 69 13.937 1.742 1.167 1.00 0.00 O ATOM 770 CB GLU A 69 14.975 -1.159 1.020 1.00 0.00 C ATOM 771 CG GLU A 69 16.243 -1.943 1.398 1.00 0.00 C ATOM 772 CD GLU A 69 16.998 -1.326 2.576 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.690 -0.286 2.408 1.00 0.00 O ATOM 774 OE2 GLU A 69 16.925 -1.889 3.693 1.00 0.00 O ATOM 0 H GLU A 69 16.696 0.679 1.253 1.00 0.00 H new ATOM 0 HA GLU A 69 15.197 -0.372 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.530 -0.764 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.255 -1.855 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.969 -2.968 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.905 -1.990 0.534 1.00 0.00 H new ATOM 781 N ARG A 70 13.125 0.980 -0.763 1.00 0.00 N ATOM 782 CA ARG A 70 11.931 1.788 -0.719 1.00 0.00 C ATOM 783 C ARG A 70 10.741 0.917 -0.397 1.00 0.00 C ATOM 784 O ARG A 70 10.732 -0.246 -0.734 1.00 0.00 O ATOM 785 CB ARG A 70 11.707 2.505 -2.043 1.00 0.00 C ATOM 786 CG ARG A 70 12.077 3.996 -2.082 1.00 0.00 C ATOM 787 CD ARG A 70 13.523 4.301 -1.723 1.00 0.00 C ATOM 788 NE ARG A 70 13.803 4.240 -0.291 1.00 0.00 N ATOM 789 CZ ARG A 70 14.788 4.897 0.300 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.661 5.586 -0.417 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.922 4.833 1.598 1.00 0.00 N ATOM 0 H ARG A 70 13.207 0.407 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 70 12.053 2.542 0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.282 1.990 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.655 2.407 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.876 4.380 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.425 4.536 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.172 3.595 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.776 5.295 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 70 13.202 3.655 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.578 5.614 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.417 6.090 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.269 4.278 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.680 5.338 2.058 1.00 0.00 H new ATOM 805 N PRO A 71 9.731 1.453 0.264 1.00 0.00 N ATOM 806 CA PRO A 71 8.557 0.678 0.635 1.00 0.00 C ATOM 807 C PRO A 71 7.617 0.431 -0.561 1.00 0.00 C ATOM 808 O PRO A 71 7.360 1.336 -1.371 1.00 0.00 O ATOM 809 CB PRO A 71 7.905 1.554 1.701 1.00 0.00 C ATOM 810 CG PRO A 71 8.253 2.942 1.304 1.00 0.00 C ATOM 811 CD PRO A 71 9.631 2.858 0.705 1.00 0.00 C ATOM 0 HA PRO A 71 8.801 -0.324 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.825 1.408 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.285 1.318 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.536 3.335 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.240 3.611 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.749 3.550 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.402 3.105 1.435 1.00 0.00 H new ATOM 819 N TYR A 72 7.139 -0.785 -0.673 1.00 0.00 N ATOM 820 CA TYR A 72 6.258 -1.192 -1.741 1.00 0.00 C ATOM 821 C TYR A 72 5.106 -1.963 -1.088 1.00 0.00 C ATOM 822 O TYR A 72 5.334 -2.842 -0.274 1.00 0.00 O ATOM 823 CB TYR A 72 7.038 -2.090 -2.720 1.00 0.00 C ATOM 824 CG TYR A 72 6.413 -2.242 -4.090 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.846 -1.455 -5.147 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.406 -3.161 -4.333 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.295 -1.576 -6.404 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.848 -3.289 -5.592 1.00 0.00 C ATOM 829 CZ TYR A 72 5.296 -2.494 -6.624 1.00 0.00 C ATOM 830 OH TYR A 72 4.743 -2.618 -7.888 1.00 0.00 O ATOM 0 H TYR A 72 7.355 -1.532 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 72 5.872 -0.341 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.043 -1.684 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.145 -3.079 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.631 -0.732 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.051 -3.787 -3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.646 -0.952 -7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.063 -4.010 -5.766 1.00 0.00 H new ATOM 0 HH TYR A 72 4.051 -3.311 -7.876 1.00 0.00 H new ATOM 840 N TRP A 73 3.904 -1.637 -1.410 1.00 0.00 N ATOM 841 CA TRP A 73 2.779 -2.208 -0.728 1.00 0.00 C ATOM 842 C TRP A 73 1.918 -3.046 -1.658 1.00 0.00 C ATOM 843 O TRP A 73 1.671 -2.667 -2.792 1.00 0.00 O ATOM 844 CB TRP A 73 1.964 -1.089 -0.087 1.00 0.00 C ATOM 845 CG TRP A 73 2.698 -0.348 1.009 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.567 0.695 0.875 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.589 -0.594 2.403 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.994 1.112 2.112 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.404 0.335 3.068 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.872 -1.507 3.147 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.513 0.369 4.456 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.966 -1.483 4.512 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.781 -0.548 5.166 1.00 0.00 C ATOM 0 H TRP A 73 3.665 -0.973 -2.147 1.00 0.00 H new ATOM 0 HA TRP A 73 3.146 -2.881 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.670 -0.378 -0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.047 -1.510 0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.874 1.129 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.645 1.877 2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.242 -2.234 2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.148 1.088 4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.403 -2.196 5.095 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.833 -0.550 6.245 1.00 0.00 H new ATOM 864 N TYR A 74 1.502 -4.184 -1.182 1.00 0.00 N ATOM 865 CA TYR A 74 0.628 -5.070 -1.912 1.00 0.00 C ATOM 866 C TYR A 74 -0.704 -5.193 -1.210 1.00 0.00 C ATOM 867 O TYR A 74 -0.760 -5.269 0.014 1.00 0.00 O ATOM 868 CB TYR A 74 1.254 -6.452 -2.105 1.00 0.00 C ATOM 869 CG TYR A 74 2.267 -6.540 -3.229 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.850 -6.679 -4.549 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.625 -6.513 -2.979 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.756 -6.790 -5.583 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.544 -6.619 -4.007 1.00 0.00 C ATOM 874 CZ TYR A 74 4.107 -6.760 -5.306 1.00 0.00 C ATOM 875 OH TYR A 74 5.026 -6.876 -6.328 1.00 0.00 O ATOM 0 H TYR A 74 1.763 -4.533 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 74 0.472 -4.636 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.738 -6.749 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.458 -7.172 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.793 -6.700 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.975 -6.407 -1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.411 -6.899 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.602 -6.591 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 74 5.933 -6.834 -5.959 1.00 0.00 H new ATOM 885 N LEU A 75 -1.757 -5.263 -1.980 1.00 0.00 N ATOM 886 CA LEU A 75 -3.109 -5.297 -1.462 1.00 0.00 C ATOM 887 C LEU A 75 -3.780 -6.520 -2.046 1.00 0.00 C ATOM 888 O LEU A 75 -3.503 -6.876 -3.196 1.00 0.00 O ATOM 889 CB LEU A 75 -3.864 -4.045 -1.956 1.00 0.00 C ATOM 890 CG LEU A 75 -3.114 -2.701 -1.852 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.934 -1.573 -2.434 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.729 -2.384 -0.424 1.00 0.00 C ATOM 0 H LEU A 75 -1.705 -5.299 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.110 -5.324 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.139 -4.202 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.792 -3.962 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.198 -2.801 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.380 -0.638 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.139 -1.777 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.875 -1.489 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.203 -1.430 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.627 -2.324 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.079 -3.170 -0.039 1.00 0.00 H new ATOM 904 N PHE A 76 -4.614 -7.177 -1.258 1.00 0.00 N ATOM 905 CA PHE A 76 -5.266 -8.416 -1.669 1.00 0.00 C ATOM 906 C PHE A 76 -6.746 -8.375 -1.344 1.00 0.00 C ATOM 907 O PHE A 76 -7.151 -7.807 -0.318 1.00 0.00 O ATOM 908 CB PHE A 76 -4.638 -9.620 -0.946 1.00 0.00 C ATOM 909 CG PHE A 76 -3.172 -9.783 -1.189 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.716 -10.559 -2.233 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.248 -9.143 -0.377 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.374 -10.690 -2.466 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.903 -9.279 -0.609 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.468 -10.049 -1.656 1.00 0.00 C ATOM 0 H PHE A 76 -4.860 -6.870 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.131 -8.520 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.808 -9.515 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.151 -10.528 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.423 -11.067 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.590 -8.532 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.026 -11.298 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.189 -8.781 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.590 -10.152 -1.845 1.00 0.00 H new ATOM 924 N ASP A 77 -7.551 -8.983 -2.197 1.00 0.00 N ATOM 925 CA ASP A 77 -9.010 -9.039 -1.990 1.00 0.00 C ATOM 926 C ASP A 77 -9.382 -10.206 -1.103 1.00 0.00 C ATOM 927 O ASP A 77 -10.540 -10.354 -0.729 1.00 0.00 O ATOM 928 CB ASP A 77 -9.812 -9.131 -3.315 1.00 0.00 C ATOM 929 CG ASP A 77 -9.960 -10.549 -3.869 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.101 -11.073 -3.923 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.964 -11.158 -4.248 1.00 0.00 O ATOM 0 H ASP A 77 -7.230 -9.450 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.278 -8.100 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.805 -8.712 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.322 -8.510 -4.065 1.00 0.00 H new ATOM 936 N ASN A 78 -8.420 -11.009 -0.721 1.00 0.00 N ATOM 937 CA ASN A 78 -8.712 -12.107 0.150 1.00 0.00 C ATOM 938 C ASN A 78 -7.694 -12.144 1.264 1.00 0.00 C ATOM 939 O ASN A 78 -6.593 -11.592 1.128 1.00 0.00 O ATOM 940 CB ASN A 78 -8.760 -13.460 -0.577 1.00 0.00 C ATOM 941 CG ASN A 78 -9.531 -14.482 0.235 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.237 -15.668 0.231 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.579 -14.035 0.880 1.00 0.00 N ATOM 0 H ASN A 78 -7.442 -10.921 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.711 -11.944 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.229 -13.337 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.746 -13.819 -0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.174 -14.682 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.800 -13.039 0.866 1.00 0.00 H new ATOM 950 N VAL A 79 -8.062 -12.757 2.363 1.00 0.00 N ATOM 951 CA VAL A 79 -7.206 -12.851 3.522 1.00 0.00 C ATOM 952 C VAL A 79 -6.050 -13.795 3.252 1.00 0.00 C ATOM 953 O VAL A 79 -6.043 -14.506 2.232 1.00 0.00 O ATOM 954 CB VAL A 79 -7.982 -13.330 4.767 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.090 -12.350 5.099 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.545 -14.726 4.541 1.00 0.00 C ATOM 0 H VAL A 79 -8.970 -13.208 2.480 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.822 -11.851 3.723 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.295 -13.376 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.631 -12.697 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.660 -11.369 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.777 -12.278 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.089 -15.047 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.222 -14.711 3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.728 -15.420 4.345 1.00 0.00 H new ATOM 966 N ASN A 80 -5.067 -13.785 4.141 1.00 0.00 N ATOM 967 CA ASN A 80 -3.878 -14.644 4.038 1.00 0.00 C ATOM 968 C ASN A 80 -3.120 -14.372 2.747 1.00 0.00 C ATOM 969 O ASN A 80 -2.421 -15.243 2.225 1.00 0.00 O ATOM 970 CB ASN A 80 -4.262 -16.137 4.134 1.00 0.00 C ATOM 971 CG ASN A 80 -4.621 -16.595 5.537 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.745 -16.988 6.317 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.886 -16.628 5.847 1.00 0.00 N ATOM 0 H ASN A 80 -5.064 -13.180 4.962 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.224 -14.406 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.108 -16.327 3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.431 -16.739 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.179 -16.986 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.583 -16.296 5.181 1.00 0.00 H new ATOM 980 N TYR A 81 -3.212 -13.124 2.291 1.00 0.00 N ATOM 981 CA TYR A 81 -2.548 -12.623 1.079 1.00 0.00 C ATOM 982 C TYR A 81 -2.893 -13.454 -0.154 1.00 0.00 C ATOM 983 O TYR A 81 -2.015 -13.761 -0.975 1.00 0.00 O ATOM 984 CB TYR A 81 -1.023 -12.576 1.271 1.00 0.00 C ATOM 985 CG TYR A 81 -0.605 -11.892 2.538 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.086 -10.658 2.836 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.260 -12.494 3.439 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.744 -10.019 3.981 1.00 0.00 C ATOM 989 CE2 TYR A 81 0.620 -11.855 4.601 1.00 0.00 C ATOM 990 CZ TYR A 81 0.115 -10.616 4.873 1.00 0.00 C ATOM 991 OH TYR A 81 0.473 -9.973 6.045 1.00 0.00 O ATOM 0 H TYR A 81 -3.765 -12.410 2.765 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.919 -11.612 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.632 -13.594 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.573 -12.061 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.758 -10.173 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.655 -13.476 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.147 -9.040 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.298 -12.330 5.295 1.00 0.00 H new ATOM 0 HH TYR A 81 1.086 -10.542 6.556 1.00 0.00 H new ATOM 1001 N THR A 82 -4.146 -13.791 -0.314 1.00 0.00 N ATOM 1002 CA THR A 82 -4.545 -14.574 -1.448 1.00 0.00 C ATOM 1003 C THR A 82 -5.509 -13.798 -2.332 1.00 0.00 C ATOM 1004 O THR A 82 -5.935 -12.684 -1.978 1.00 0.00 O ATOM 1005 CB THR A 82 -5.149 -15.940 -1.026 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.258 -15.764 -0.136 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.104 -16.786 -0.343 1.00 0.00 C ATOM 0 H THR A 82 -4.901 -13.537 0.323 1.00 0.00 H new ATOM 0 HA THR A 82 -3.647 -14.786 -2.028 1.00 0.00 H new ATOM 0 HB THR A 82 -5.497 -16.439 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.961 -15.284 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.542 -17.741 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.273 -16.961 -1.027 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.740 -16.269 0.545 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.827 -14.362 -3.475 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.753 -13.743 -4.371 1.00 0.00 C ATOM 1017 C GLY A 83 -6.079 -12.803 -5.330 1.00 0.00 C ATOM 1018 O GLY A 83 -5.013 -13.122 -5.890 1.00 0.00 O ATOM 0 H GLY A 83 -5.451 -15.253 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.282 -14.513 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.501 -13.197 -3.796 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.683 -11.662 -5.510 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.191 -10.639 -6.402 1.00 0.00 C ATOM 1024 C ARG A 84 -5.088 -9.884 -5.715 1.00 0.00 C ATOM 1025 O ARG A 84 -5.077 -9.785 -4.483 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.309 -9.678 -6.753 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.519 -10.343 -7.342 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.643 -9.347 -7.542 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.964 -9.992 -7.587 1.00 0.00 N ATOM 1030 CZ ARG A 84 -12.140 -9.344 -7.688 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.186 -8.082 -8.115 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -13.270 -9.989 -7.445 1.00 0.00 N ATOM 0 H ARG A 84 -7.548 -11.408 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.818 -11.102 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.605 -9.137 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.932 -8.940 -7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.259 -10.800 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.853 -11.146 -6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.626 -8.617 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.478 -8.799 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.991 -11.010 -7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.325 -7.598 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.082 -7.601 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.248 -10.974 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.162 -9.501 -7.521 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.200 -9.332 -6.479 1.00 0.00 N ATOM 1047 CA ILE A 85 -3.055 -8.670 -5.920 1.00 0.00 C ATOM 1048 C ILE A 85 -2.840 -7.304 -6.581 1.00 0.00 C ATOM 1049 O ILE A 85 -3.041 -7.135 -7.784 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.785 -9.570 -6.060 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.589 -8.971 -5.331 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.438 -9.778 -7.527 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.631 -9.877 -5.321 1.00 0.00 C ATOM 0 H ILE A 85 -4.243 -9.324 -7.498 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.236 -8.500 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.017 -10.532 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.324 -8.024 -5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.875 -8.748 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.551 -10.407 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.273 -10.263 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.241 -8.813 -7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.444 -9.387 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.383 -10.815 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.942 -10.080 -6.346 1.00 0.00 H new ATOM 1065 N THR A 86 -2.546 -6.326 -5.780 1.00 0.00 N ATOM 1066 CA THR A 86 -2.259 -4.995 -6.271 1.00 0.00 C ATOM 1067 C THR A 86 -0.992 -4.436 -5.628 1.00 0.00 C ATOM 1068 O THR A 86 -0.915 -4.355 -4.416 1.00 0.00 O ATOM 1069 CB THR A 86 -3.476 -4.064 -6.072 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.583 -4.609 -6.803 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.194 -2.653 -6.565 1.00 0.00 C ATOM 0 H THR A 86 -2.496 -6.419 -4.765 1.00 0.00 H new ATOM 0 HA THR A 86 -2.071 -5.054 -7.343 1.00 0.00 H new ATOM 0 HB THR A 86 -3.699 -4.003 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.217 -5.019 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.074 -2.030 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.351 -2.237 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.954 -2.680 -7.628 1.00 0.00 H new ATOM 1079 N GLY A 87 -0.004 -4.095 -6.430 1.00 0.00 N ATOM 1080 CA GLY A 87 1.236 -3.569 -5.899 1.00 0.00 C ATOM 1081 C GLY A 87 1.450 -2.085 -6.153 1.00 0.00 C ATOM 1082 O GLY A 87 1.539 -1.645 -7.302 1.00 0.00 O ATOM 0 H GLY A 87 -0.035 -4.172 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.262 -3.748 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.067 -4.123 -6.335 1.00 0.00 H new ATOM 1086 N LEU A 88 1.573 -1.333 -5.096 1.00 0.00 N ATOM 1087 CA LEU A 88 1.814 0.097 -5.164 1.00 0.00 C ATOM 1088 C LEU A 88 3.211 0.422 -4.700 1.00 0.00 C ATOM 1089 O LEU A 88 3.739 -0.235 -3.802 1.00 0.00 O ATOM 1090 CB LEU A 88 0.776 0.878 -4.338 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.421 1.445 -5.110 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.025 2.571 -6.024 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.100 0.357 -5.917 1.00 0.00 C ATOM 0 H LEU A 88 1.509 -1.693 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 88 1.713 0.403 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.398 0.221 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.285 1.704 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.137 1.840 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.836 2.963 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.473 3.367 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.759 2.193 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.947 0.780 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.390 -0.065 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.452 -0.427 -5.247 1.00 0.00 H new ATOM 1105 N GLY A 89 3.801 1.416 -5.303 1.00 0.00 N ATOM 1106 CA GLY A 89 5.132 1.802 -4.954 1.00 0.00 C ATOM 1107 C GLY A 89 5.194 3.218 -4.459 1.00 0.00 C ATOM 1108 O GLY A 89 4.186 3.933 -4.473 1.00 0.00 O ATOM 0 H GLY A 89 3.375 1.974 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.514 1.132 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.781 1.693 -5.823 1.00 0.00 H new ATOM 1112 N HIS A 90 6.370 3.626 -4.032 1.00 0.00 N ATOM 1113 CA HIS A 90 6.602 4.961 -3.493 1.00 0.00 C ATOM 1114 C HIS A 90 6.281 6.051 -4.515 1.00 0.00 C ATOM 1115 O HIS A 90 6.654 5.954 -5.701 1.00 0.00 O ATOM 1116 CB HIS A 90 8.056 5.117 -2.979 1.00 0.00 C ATOM 1117 CG HIS A 90 9.128 4.991 -4.041 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.795 6.065 -4.599 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.650 3.888 -4.629 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.675 5.596 -5.479 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.629 4.274 -5.539 1.00 0.00 N ATOM 0 H HIS A 90 7.204 3.039 -4.047 1.00 0.00 H new ATOM 0 HA HIS A 90 5.923 5.082 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.153 6.091 -2.500 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.236 4.365 -2.211 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.639 7.048 -4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.353 2.870 -4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.339 6.212 -6.067 1.00 0.00 H new ATOM 1129 N GLY A 91 5.550 7.043 -4.073 1.00 0.00 N ATOM 1130 CA GLY A 91 5.216 8.169 -4.901 1.00 0.00 C ATOM 1131 C GLY A 91 4.179 7.815 -5.931 1.00 0.00 C ATOM 1132 O GLY A 91 3.997 8.529 -6.921 1.00 0.00 O ATOM 0 H GLY A 91 5.170 7.091 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.846 8.982 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.114 8.533 -5.399 1.00 0.00 H new ATOM 1136 N THR A 92 3.517 6.715 -5.727 1.00 0.00 N ATOM 1137 CA THR A 92 2.535 6.269 -6.650 1.00 0.00 C ATOM 1138 C THR A 92 1.210 6.159 -5.921 1.00 0.00 C ATOM 1139 O THR A 92 1.170 5.789 -4.733 1.00 0.00 O ATOM 1140 CB THR A 92 2.943 4.891 -7.193 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.341 4.927 -7.547 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.128 4.525 -8.420 1.00 0.00 C ATOM 0 H THR A 92 3.647 6.109 -4.917 1.00 0.00 H new ATOM 0 HA THR A 92 2.446 6.969 -7.481 1.00 0.00 H new ATOM 0 HB THR A 92 2.760 4.142 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.613 4.052 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.438 3.545 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.070 4.498 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.290 5.269 -9.200 1.00 0.00 H new ATOM 1150 N CYS A 93 0.143 6.448 -6.606 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.156 6.387 -6.013 1.00 0.00 C ATOM 1152 C CYS A 93 -2.135 5.842 -7.037 1.00 0.00 C ATOM 1153 O CYS A 93 -1.906 5.944 -8.252 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.658 7.771 -5.623 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.456 8.969 -4.888 1.00 0.00 S ATOM 0 H CYS A 93 0.150 6.731 -7.586 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.086 5.757 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.084 8.233 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.473 7.640 -4.911 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.199 5.267 -6.559 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.261 4.797 -7.400 1.00 0.00 C ATOM 1162 C ILE A 94 -5.281 5.900 -7.496 1.00 0.00 C ATOM 1163 O ILE A 94 -5.667 6.465 -6.469 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.945 3.562 -6.803 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.914 2.496 -6.499 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.000 3.027 -7.766 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.496 1.235 -5.892 1.00 0.00 C ATOM 0 H ILE A 94 -3.356 5.109 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.852 4.525 -8.373 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.439 3.845 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.391 2.237 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.171 2.907 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.479 2.150 -7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.750 3.797 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.526 2.752 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.696 0.519 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.994 1.479 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.217 0.798 -6.583 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.694 6.216 -8.692 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.660 7.289 -8.908 1.00 0.00 C ATOM 1181 C ASP A 95 -8.033 6.870 -8.411 1.00 0.00 C ATOM 1182 O ASP A 95 -8.665 7.570 -7.620 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.735 7.669 -10.398 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.409 8.110 -10.967 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.033 9.283 -10.801 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.699 7.279 -11.591 1.00 0.00 O ATOM 0 H ASP A 95 -5.382 5.751 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.328 8.161 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.100 6.814 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.462 8.471 -10.526 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.449 5.688 -8.802 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.729 5.150 -8.410 1.00 0.00 C ATOM 1193 C ASP A 96 -9.568 3.679 -8.153 1.00 0.00 C ATOM 1194 O ASP A 96 -9.564 2.886 -9.091 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.805 5.312 -9.504 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.081 6.725 -9.959 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -11.975 7.372 -9.401 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.432 7.192 -10.928 1.00 0.00 O ATOM 0 H ASP A 96 -7.905 5.070 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.054 5.698 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.504 4.725 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.736 4.882 -9.136 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.433 3.304 -6.901 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.229 1.906 -6.529 1.00 0.00 C ATOM 1205 C PHE A 97 -10.441 1.072 -6.911 1.00 0.00 C ATOM 1206 O PHE A 97 -10.324 -0.074 -7.321 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.917 1.786 -5.034 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.597 0.390 -4.600 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.377 -0.260 -3.671 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.514 -0.270 -5.137 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -9.074 -1.545 -3.286 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.205 -1.551 -4.761 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.983 -2.190 -3.834 1.00 0.00 C ATOM 0 H PHE A 97 -9.460 3.948 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.371 1.520 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.075 2.435 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.771 2.149 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.232 0.242 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.897 0.231 -5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.689 -2.049 -2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.352 -2.053 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.744 -3.199 -3.531 1.00 0.00 H new ATOM 1223 N THR A 98 -11.587 1.701 -6.858 1.00 0.00 N ATOM 1224 CA THR A 98 -12.842 1.074 -7.198 1.00 0.00 C ATOM 1225 C THR A 98 -12.876 0.646 -8.695 1.00 0.00 C ATOM 1226 O THR A 98 -13.622 -0.247 -9.074 1.00 0.00 O ATOM 1227 CB THR A 98 -14.032 2.037 -6.870 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.287 1.431 -7.178 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.902 3.359 -7.622 1.00 0.00 C ATOM 0 H THR A 98 -11.678 2.676 -6.574 1.00 0.00 H new ATOM 0 HA THR A 98 -12.944 0.171 -6.596 1.00 0.00 H new ATOM 0 HB THR A 98 -13.992 2.239 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.013 2.053 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.744 4.004 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.971 3.850 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.897 3.168 -8.695 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.048 1.265 -9.528 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.021 0.938 -10.942 1.00 0.00 C ATOM 1239 C LYS A 99 -10.964 -0.120 -11.222 1.00 0.00 C ATOM 1240 O LYS A 99 -10.931 -0.706 -12.291 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.745 2.189 -11.776 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.705 3.340 -11.511 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.145 2.971 -11.790 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.088 4.108 -11.418 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.813 5.349 -12.172 1.00 0.00 N ATOM 0 H LYS A 99 -11.390 1.992 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.997 0.541 -11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.728 2.526 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.794 1.926 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.609 3.656 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.425 4.192 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.263 2.728 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.410 2.077 -11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.116 3.796 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.003 4.310 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.572 6.038 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.904 5.748 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.770 5.135 -13.189 1.00 0.00 H new ATOM 1259 N SER A 100 -10.125 -0.388 -10.239 1.00 0.00 N ATOM 1260 CA SER A 100 -9.050 -1.354 -10.387 1.00 0.00 C ATOM 1261 C SER A 100 -9.588 -2.784 -10.253 1.00 0.00 C ATOM 1262 O SER A 100 -8.873 -3.766 -10.484 1.00 0.00 O ATOM 1263 CB SER A 100 -7.973 -1.059 -9.349 1.00 0.00 C ATOM 1264 OG SER A 100 -7.597 0.316 -9.433 1.00 0.00 O ATOM 0 H SER A 100 -10.168 0.054 -9.321 1.00 0.00 H new ATOM 0 HA SER A 100 -8.611 -1.269 -11.381 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.344 -1.285 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.105 -1.696 -9.519 1.00 0.00 H new ATOM 0 HG SER A 100 -6.906 0.508 -8.765 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.846 -2.886 -9.892 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.485 -4.148 -9.782 1.00 0.00 C ATOM 1272 C GLY A 101 -12.057 -4.338 -8.422 1.00 0.00 C ATOM 1273 O GLY A 101 -13.224 -4.017 -8.177 1.00 0.00 O ATOM 0 H GLY A 101 -11.443 -2.089 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.276 -4.225 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.769 -4.942 -9.994 1.00 0.00 H new ATOM 1277 N PHE A 102 -11.246 -4.823 -7.518 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.705 -5.038 -6.178 1.00 0.00 C ATOM 1279 C PHE A 102 -11.562 -3.763 -5.391 1.00 0.00 C ATOM 1280 O PHE A 102 -10.595 -3.039 -5.571 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.985 -6.227 -5.487 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.492 -6.078 -5.237 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.565 -6.303 -6.245 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -9.021 -5.756 -3.970 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.208 -6.207 -5.991 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.667 -5.655 -3.720 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.763 -5.881 -4.729 1.00 0.00 C ATOM 0 H PHE A 102 -10.272 -5.074 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.758 -5.315 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.473 -6.408 -4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -11.139 -7.117 -6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.906 -6.556 -7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.724 -5.582 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.497 -6.388 -6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.318 -5.398 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.704 -5.803 -4.533 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.544 -3.464 -4.577 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.493 -2.269 -3.763 1.00 0.00 C ATOM 1299 C LYS A 103 -12.295 -2.670 -2.304 1.00 0.00 C ATOM 1300 O LYS A 103 -12.094 -1.837 -1.441 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.789 -1.400 -3.936 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.997 -1.757 -3.034 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.469 -3.198 -3.176 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.522 -3.528 -2.131 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.884 -4.960 -2.129 1.00 0.00 N ATOM 0 H LYS A 103 -13.386 -4.027 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.654 -1.654 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.526 -0.358 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.109 -1.471 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.728 -1.574 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.825 -1.089 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.879 -3.354 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.621 -3.875 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.151 -3.248 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.415 -2.931 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.605 -5.135 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.263 -5.224 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.039 -5.531 -1.925 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.354 -3.963 -2.054 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.268 -4.456 -0.714 1.00 0.00 C ATOM 1321 C GLY A 104 -10.993 -5.196 -0.461 1.00 0.00 C ATOM 1322 O GLY A 104 -10.758 -6.266 -1.032 1.00 0.00 O ATOM 0 H GLY A 104 -12.461 -4.683 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.345 -3.622 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.113 -5.115 -0.517 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.170 -4.638 0.379 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.911 -5.237 0.720 1.00 0.00 C ATOM 1328 C ILE A 105 -9.059 -5.985 1.994 1.00 0.00 C ATOM 1329 O ILE A 105 -9.385 -5.443 3.048 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.818 -4.155 0.837 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.701 -3.430 -0.486 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.480 -4.761 1.220 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.911 -2.153 -0.404 1.00 0.00 C ATOM 0 H ILE A 105 -10.353 -3.751 0.849 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.609 -5.930 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.100 -3.455 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.231 -4.092 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.701 -3.206 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.731 -3.972 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.571 -5.266 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.175 -5.480 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.869 -1.688 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.392 -1.472 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.899 -2.372 -0.063 1.00 0.00 H new ATOM 1345 N SER A 106 -8.891 -7.224 1.832 1.00 0.00 N ATOM 1346 CA SER A 106 -8.934 -8.195 2.830 1.00 0.00 C ATOM 1347 C SER A 106 -7.597 -8.396 3.563 1.00 0.00 C ATOM 1348 O SER A 106 -7.571 -8.882 4.694 1.00 0.00 O ATOM 1349 CB SER A 106 -9.411 -9.433 2.178 1.00 0.00 C ATOM 1350 OG SER A 106 -10.767 -9.330 1.791 1.00 0.00 O ATOM 0 H SER A 106 -8.702 -7.623 0.912 1.00 0.00 H new ATOM 0 HA SER A 106 -9.609 -7.878 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.797 -9.643 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.290 -10.274 2.861 1.00 0.00 H new ATOM 0 HG SER A 106 -10.852 -9.543 0.838 1.00 0.00 H new ATOM 1356 N SER A 107 -6.495 -8.075 2.903 1.00 0.00 N ATOM 1357 CA SER A 107 -5.184 -8.295 3.475 1.00 0.00 C ATOM 1358 C SER A 107 -4.189 -7.395 2.757 1.00 0.00 C ATOM 1359 O SER A 107 -4.402 -7.038 1.596 1.00 0.00 O ATOM 1360 CB SER A 107 -4.802 -9.765 3.271 1.00 0.00 C ATOM 1361 OG SER A 107 -3.723 -10.171 4.036 1.00 0.00 O ATOM 0 H SER A 107 -6.487 -7.661 1.971 1.00 0.00 H new ATOM 0 HA SER A 107 -5.181 -8.065 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.662 -10.391 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.572 -9.929 2.218 1.00 0.00 H new ATOM 0 HG SER A 107 -2.893 -9.844 3.630 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.120 -7.039 3.433 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.125 -6.127 2.896 1.00 0.00 C ATOM 1369 C ILE A 108 -0.741 -6.664 3.207 1.00 0.00 C ATOM 1370 O ILE A 108 -0.454 -6.966 4.352 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.232 -4.712 3.543 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.646 -4.150 3.405 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.217 -3.775 2.927 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.797 -2.754 3.938 1.00 0.00 C ATOM 0 H ILE A 108 -2.912 -7.373 4.374 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.297 -6.046 1.823 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.015 -4.805 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.930 -4.160 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.341 -4.806 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.303 -2.791 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.213 -4.166 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.402 -3.691 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.827 -2.423 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.545 -2.740 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.128 -2.084 3.398 1.00 0.00 H new ATOM 1386 N LYS A 109 0.117 -6.758 2.221 1.00 0.00 N ATOM 1387 CA LYS A 109 1.460 -7.241 2.458 1.00 0.00 C ATOM 1388 C LYS A 109 2.434 -6.137 2.126 1.00 0.00 C ATOM 1389 O LYS A 109 2.311 -5.480 1.102 1.00 0.00 O ATOM 1390 CB LYS A 109 1.790 -8.506 1.638 1.00 0.00 C ATOM 1391 CG LYS A 109 3.089 -9.199 2.089 1.00 0.00 C ATOM 1392 CD LYS A 109 3.463 -10.422 1.239 1.00 0.00 C ATOM 1393 CE LYS A 109 2.325 -11.407 1.122 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.720 -12.678 0.478 1.00 0.00 N ATOM 0 H LYS A 109 -0.086 -6.509 1.253 1.00 0.00 H new ATOM 0 HA LYS A 109 1.539 -7.523 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.962 -9.211 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.876 -8.237 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.906 -8.479 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.983 -9.509 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.760 -10.093 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.327 -10.919 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.931 -11.618 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.517 -10.952 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.897 -13.312 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.070 -12.486 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.472 -13.131 1.036 1.00 0.00 H new ATOM 1408 N ARG A 110 3.371 -5.918 2.997 1.00 0.00 N ATOM 1409 CA ARG A 110 4.337 -4.877 2.812 1.00 0.00 C ATOM 1410 C ARG A 110 5.636 -5.473 2.293 1.00 0.00 C ATOM 1411 O ARG A 110 6.151 -6.465 2.842 1.00 0.00 O ATOM 1412 CB ARG A 110 4.588 -4.130 4.125 1.00 0.00 C ATOM 1413 CG ARG A 110 5.549 -2.955 3.993 1.00 0.00 C ATOM 1414 CD ARG A 110 5.915 -2.373 5.354 1.00 0.00 C ATOM 1415 NE ARG A 110 6.546 -3.375 6.234 1.00 0.00 N ATOM 1416 CZ ARG A 110 6.933 -3.161 7.503 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.888 -1.944 8.024 1.00 0.00 N ATOM 1418 NH2 ARG A 110 7.384 -4.170 8.229 1.00 0.00 N ATOM 0 H ARG A 110 3.488 -6.455 3.856 1.00 0.00 H new ATOM 0 HA ARG A 110 3.949 -4.165 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.636 -3.766 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.985 -4.830 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.454 -3.281 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.094 -2.180 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.595 -1.532 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.018 -1.983 5.834 1.00 0.00 H new ATOM 0 HE ARG A 110 6.701 -4.306 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.558 -1.160 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.184 -1.791 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.437 -5.105 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.679 -4.013 9.193 1.00 0.00 H new ATOM 1432 N CYS A 111 6.133 -4.902 1.258 1.00 0.00 N ATOM 1433 CA CYS A 111 7.354 -5.297 0.660 1.00 0.00 C ATOM 1434 C CYS A 111 8.254 -4.085 0.552 1.00 0.00 C ATOM 1435 O CYS A 111 7.846 -2.962 0.867 1.00 0.00 O ATOM 1436 CB CYS A 111 7.077 -5.879 -0.722 1.00 0.00 C ATOM 1437 SG CYS A 111 5.955 -7.316 -0.727 1.00 0.00 S ATOM 0 H CYS A 111 5.683 -4.117 0.787 1.00 0.00 H new ATOM 0 HA CYS A 111 7.844 -6.059 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.650 -5.099 -1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.024 -6.172 -1.175 1.00 0.00 H new ATOM 1442 N ILE A 112 9.457 -4.304 0.177 1.00 0.00 N ATOM 1443 CA ILE A 112 10.400 -3.261 -0.035 1.00 0.00 C ATOM 1444 C ILE A 112 11.077 -3.491 -1.357 1.00 0.00 C ATOM 1445 O ILE A 112 11.364 -4.615 -1.718 1.00 0.00 O ATOM 1446 CB ILE A 112 11.469 -3.195 1.071 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.005 -4.591 1.365 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.911 -2.548 2.330 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.319 -4.591 2.074 1.00 0.00 C ATOM 0 H ILE A 112 9.829 -5.238 0.003 1.00 0.00 H new ATOM 0 HA ILE A 112 9.860 -2.314 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 112 12.294 -2.575 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.276 -5.131 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.108 -5.136 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.686 -2.514 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.581 -1.535 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.066 -3.132 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.638 -5.618 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.062 -4.080 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.217 -4.075 3.029 1.00 0.00 H new ATOM 1461 N GLN A 113 11.308 -2.466 -2.063 1.00 0.00 N ATOM 1462 CA GLN A 113 11.944 -2.568 -3.328 1.00 0.00 C ATOM 1463 C GLN A 113 13.315 -2.002 -3.188 1.00 0.00 C ATOM 1464 O GLN A 113 13.483 -0.874 -2.727 1.00 0.00 O ATOM 1465 CB GLN A 113 11.130 -1.866 -4.415 1.00 0.00 C ATOM 1466 CG GLN A 113 11.660 -2.083 -5.828 1.00 0.00 C ATOM 1467 CD GLN A 113 10.688 -1.615 -6.895 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.919 -0.674 -6.696 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.691 -2.288 -8.019 1.00 0.00 N ATOM 0 H GLN A 113 11.063 -1.515 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 113 12.013 -3.610 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.100 -2.218 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.111 -0.796 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.604 -1.551 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.871 -3.142 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.343 -3.062 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.042 -2.038 -8.765 1.00 0.00 H new ATOM 1478 N THR A 114 14.284 -2.792 -3.523 1.00 0.00 N ATOM 1479 CA THR A 114 15.653 -2.425 -3.360 1.00 0.00 C ATOM 1480 C THR A 114 16.032 -1.402 -4.424 1.00 0.00 C ATOM 1481 O THR A 114 15.282 -1.199 -5.400 1.00 0.00 O ATOM 1482 CB THR A 114 16.549 -3.684 -3.497 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.427 -4.231 -4.821 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.124 -4.758 -2.503 1.00 0.00 C ATOM 0 H THR A 114 14.145 -3.720 -3.922 1.00 0.00 H new ATOM 0 HA THR A 114 15.799 -1.989 -2.372 1.00 0.00 H new ATOM 0 HB THR A 114 17.578 -3.385 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.554 -4.665 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.765 -5.632 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.214 -4.371 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.089 -5.040 -2.693 1.00 0.00 H new ATOM 1492 N LYS A 115 17.171 -0.749 -4.264 1.00 0.00 N ATOM 1493 CA LYS A 115 17.659 0.170 -5.281 1.00 0.00 C ATOM 1494 C LYS A 115 18.043 -0.628 -6.536 1.00 0.00 C ATOM 1495 O LYS A 115 18.139 -0.102 -7.641 1.00 0.00 O ATOM 1496 CB LYS A 115 18.823 1.030 -4.758 1.00 0.00 C ATOM 1497 CG LYS A 115 19.281 2.119 -5.722 1.00 0.00 C ATOM 1498 CD LYS A 115 18.126 3.019 -6.150 1.00 0.00 C ATOM 1499 CE LYS A 115 17.477 3.783 -4.987 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.390 4.779 -4.374 1.00 0.00 N ATOM 0 H LYS A 115 17.773 -0.837 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 115 16.866 0.870 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.522 1.495 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.669 0.379 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.055 2.722 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.730 1.660 -6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.489 3.736 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.367 2.412 -6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.581 4.290 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.157 3.072 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.901 5.265 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.234 4.296 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.676 5.476 -5.091 1.00 0.00 H new ATOM 1514 N ASP A 116 18.243 -1.915 -6.324 1.00 0.00 N ATOM 1515 CA ASP A 116 18.524 -2.871 -7.386 1.00 0.00 C ATOM 1516 C ASP A 116 17.211 -3.222 -8.153 1.00 0.00 C ATOM 1517 O ASP A 116 17.224 -3.885 -9.184 1.00 0.00 O ATOM 1518 CB ASP A 116 19.165 -4.121 -6.750 1.00 0.00 C ATOM 1519 CG ASP A 116 19.398 -5.271 -7.697 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.649 -6.259 -7.633 1.00 0.00 O ATOM 1521 OD2 ASP A 116 20.362 -5.231 -8.488 1.00 0.00 O ATOM 0 H ASP A 116 18.215 -2.335 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 116 19.216 -2.447 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 116 20.119 -3.836 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.526 -4.464 -5.936 1.00 0.00 H new ATOM 1526 N GLY A 117 16.091 -2.740 -7.630 1.00 0.00 N ATOM 1527 CA GLY A 117 14.806 -2.841 -8.303 1.00 0.00 C ATOM 1528 C GLY A 117 14.025 -4.087 -7.989 1.00 0.00 C ATOM 1529 O GLY A 117 12.941 -4.295 -8.556 1.00 0.00 O ATOM 0 H GLY A 117 16.050 -2.268 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.202 -1.974 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.971 -2.794 -9.379 1.00 0.00 H new ATOM 1533 N LYS A 118 14.517 -4.912 -7.100 1.00 0.00 N ATOM 1534 CA LYS A 118 13.798 -6.119 -6.791 1.00 0.00 C ATOM 1535 C LYS A 118 12.922 -5.886 -5.590 1.00 0.00 C ATOM 1536 O LYS A 118 13.316 -5.189 -4.648 1.00 0.00 O ATOM 1537 CB LYS A 118 14.720 -7.331 -6.577 1.00 0.00 C ATOM 1538 CG LYS A 118 15.602 -7.292 -5.337 1.00 0.00 C ATOM 1539 CD LYS A 118 16.396 -8.588 -5.167 1.00 0.00 C ATOM 1540 CE LYS A 118 15.482 -9.799 -4.978 1.00 0.00 C ATOM 1541 NZ LYS A 118 16.234 -11.059 -4.784 1.00 0.00 N ATOM 0 H LYS A 118 15.390 -4.776 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 118 13.180 -6.365 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.102 -8.228 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.362 -7.432 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.290 -6.450 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.983 -7.126 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.028 -8.744 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.059 -8.497 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.836 -9.630 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 118 14.833 -9.898 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 15.566 -11.847 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.831 -11.238 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.834 -10.979 -3.938 1.00 0.00 H new ATOM 1555 N VAL A 119 11.739 -6.413 -5.623 1.00 0.00 N ATOM 1556 CA VAL A 119 10.844 -6.228 -4.531 1.00 0.00 C ATOM 1557 C VAL A 119 10.945 -7.416 -3.589 1.00 0.00 C ATOM 1558 O VAL A 119 10.585 -8.548 -3.938 1.00 0.00 O ATOM 1559 CB VAL A 119 9.385 -6.020 -5.017 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.466 -5.654 -3.864 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.329 -4.954 -6.103 1.00 0.00 C ATOM 0 H VAL A 119 11.373 -6.973 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 119 11.129 -5.323 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 119 9.036 -6.963 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.451 -5.515 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.474 -6.454 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.812 -4.730 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.298 -4.822 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.707 -4.011 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.942 -5.264 -6.949 1.00 0.00 H new ATOM 1571 N GLU A 120 11.463 -7.156 -2.435 1.00 0.00 N ATOM 1572 CA GLU A 120 11.627 -8.122 -1.392 1.00 0.00 C ATOM 1573 C GLU A 120 10.441 -8.011 -0.490 1.00 0.00 C ATOM 1574 O GLU A 120 9.961 -6.915 -0.240 1.00 0.00 O ATOM 1575 CB GLU A 120 12.906 -7.828 -0.601 1.00 0.00 C ATOM 1576 CG GLU A 120 14.182 -8.029 -1.387 1.00 0.00 C ATOM 1577 CD GLU A 120 14.495 -9.483 -1.612 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.488 -9.975 -1.042 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.756 -10.165 -2.344 1.00 0.00 O ATOM 0 H GLU A 120 11.798 -6.227 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 120 11.706 -9.126 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.871 -6.799 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.930 -8.470 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.095 -7.526 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.010 -7.560 -0.856 1.00 0.00 H new ATOM 1586 N CYS A 121 9.975 -9.094 0.003 1.00 0.00 N ATOM 1587 CA CYS A 121 8.809 -9.074 0.832 1.00 0.00 C ATOM 1588 C CYS A 121 9.076 -9.836 2.078 1.00 0.00 C ATOM 1589 O CYS A 121 10.065 -10.572 2.165 1.00 0.00 O ATOM 1590 CB CYS A 121 7.613 -9.698 0.096 1.00 0.00 C ATOM 1591 SG CYS A 121 7.109 -8.827 -1.424 1.00 0.00 S ATOM 0 H CYS A 121 10.379 -10.018 -0.148 1.00 0.00 H new ATOM 0 HA CYS A 121 8.569 -8.039 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.859 -10.729 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.763 -9.731 0.777 1.00 0.00 H new