USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=31 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= -0.373 X(o=0.6,f=0.46) USER MOD Set 1.2: A 82 THR OG1 : rot -52:sc= 0.974 USER MOD Single : A 25 TYR OH : rot 36:sc= 1.24 USER MOD Single : A 26 CYS SG : rot -104:sc= 1.77 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 84:sc= 1.5 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -133:sc= 0.837 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -179:sc= 0.504 USER MOD Single : A 48 SER OG : rot -7:sc= 0.462 USER MOD Single : A 50 SER OG : rot 31:sc= 0.257 USER MOD Single : A 54 THR OG1 : rot 54:sc= 0.0808 USER MOD Single : A 57 SER OG : rot -67:sc= 1.23 USER MOD Single : A 64 ASN : amide:sc= 0.193 K(o=0.19,f=-4!) USER MOD Single : A 66 THR OG1 : rot 102:sc= 0.11 USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.18) 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 :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.065 USER MOD Single : A 86 THR OG1 : rot 97:sc= 1.79 USER MOD Single : A 90 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.4) 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+ 162:sc= 1.06 (180deg=0.505) USER MOD Single : A 100 SER OG : rot 68:sc= 0.438 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 170:sc= -0.0582 USER MOD Single : A 107 SER OG : rot -63:sc= 1.94 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.266 K(o=0.27,f=-0.29) USER MOD Single : A 114 THR OG1 : rot -27:sc= -1.07 USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0298 (180deg=-0.297) USER MOD Single : A 118 LYS NZ :NH3+ -157:sc= 0.879 (180deg=0.534) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 7.185 4.930 5.652 1.00 0.00 N ATOM 76 CA TYR A 25 6.871 3.532 5.333 1.00 0.00 C ATOM 77 C TYR A 25 5.491 3.180 5.820 1.00 0.00 C ATOM 78 O TYR A 25 5.312 2.404 6.763 1.00 0.00 O ATOM 79 CB TYR A 25 7.926 2.537 5.876 1.00 0.00 C ATOM 80 CG TYR A 25 9.305 2.655 5.255 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.938 1.544 4.742 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.967 3.871 5.183 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.193 1.632 4.193 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.211 3.977 4.629 1.00 0.00 C ATOM 85 CZ TYR A 25 11.828 2.864 4.138 1.00 0.00 C ATOM 86 OH TYR A 25 13.097 2.976 3.635 1.00 0.00 O ATOM 0 HA TYR A 25 6.897 3.439 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.017 2.680 6.953 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.560 1.522 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.438 0.587 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.487 4.756 5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.682 0.750 3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.703 4.937 4.580 1.00 0.00 H new ATOM 0 HH TYR A 25 13.210 2.349 2.890 1.00 0.00 H new ATOM 96 N CYS A 26 4.522 3.788 5.204 1.00 0.00 N ATOM 97 CA CYS A 26 3.159 3.623 5.592 1.00 0.00 C ATOM 98 C CYS A 26 2.334 3.519 4.344 1.00 0.00 C ATOM 99 O CYS A 26 2.754 3.988 3.291 1.00 0.00 O ATOM 100 CB CYS A 26 2.704 4.842 6.393 1.00 0.00 C ATOM 101 SG CYS A 26 3.847 5.311 7.734 1.00 0.00 S ATOM 0 H CYS A 26 4.659 4.417 4.412 1.00 0.00 H new ATOM 0 HA CYS A 26 3.045 2.729 6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.588 5.688 5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.722 4.638 6.820 1.00 0.00 H new ATOM 0 HG CYS A 26 3.348 4.945 8.877 1.00 0.00 H new ATOM 106 N LEU A 27 1.219 2.883 4.447 1.00 0.00 N ATOM 107 CA LEU A 27 0.294 2.772 3.360 1.00 0.00 C ATOM 108 C LEU A 27 -0.902 3.607 3.713 1.00 0.00 C ATOM 109 O LEU A 27 -1.451 3.459 4.807 1.00 0.00 O ATOM 110 CB LEU A 27 -0.095 1.304 3.174 1.00 0.00 C ATOM 111 CG LEU A 27 -1.068 0.950 2.063 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.559 1.388 0.710 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.287 -0.519 2.063 1.00 0.00 C ATOM 0 H LEU A 27 0.914 2.416 5.301 1.00 0.00 H new ATOM 0 HA LEU A 27 0.729 3.121 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.821 0.737 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.521 0.952 4.113 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.005 1.476 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.284 1.116 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.416 2.469 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.391 0.896 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.985 -0.783 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.338 -1.028 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.699 -0.825 3.024 1.00 0.00 H new ATOM 125 N GLN A 28 -1.273 4.519 2.851 1.00 0.00 N ATOM 126 CA GLN A 28 -2.402 5.359 3.133 1.00 0.00 C ATOM 127 C GLN A 28 -3.512 5.043 2.181 1.00 0.00 C ATOM 128 O GLN A 28 -3.340 5.074 0.952 1.00 0.00 O ATOM 129 CB GLN A 28 -2.005 6.821 2.996 1.00 0.00 C ATOM 130 CG GLN A 28 -1.015 7.299 4.045 1.00 0.00 C ATOM 131 CD GLN A 28 -0.436 8.675 3.717 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.063 9.483 3.039 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.737 8.973 4.230 1.00 0.00 N ATOM 0 H GLN A 28 -0.814 4.696 1.958 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.740 5.177 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.573 6.977 2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.903 7.436 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.509 7.338 5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.203 6.577 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.239 8.284 4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.146 9.893 4.068 1.00 0.00 H new ATOM 142 N LEU A 29 -4.627 4.713 2.726 1.00 0.00 N ATOM 143 CA LEU A 29 -5.782 4.448 1.944 1.00 0.00 C ATOM 144 C LEU A 29 -6.800 5.538 2.157 1.00 0.00 C ATOM 145 O LEU A 29 -7.166 5.812 3.296 1.00 0.00 O ATOM 146 CB LEU A 29 -6.345 3.056 2.231 1.00 0.00 C ATOM 147 CG LEU A 29 -5.339 1.898 2.072 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.763 1.444 3.395 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.939 0.746 1.339 1.00 0.00 C ATOM 0 H LEU A 29 -4.766 4.618 3.732 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.506 4.449 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.734 3.041 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.189 2.878 1.564 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.515 2.291 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.061 0.627 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.244 2.276 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.569 1.101 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.201 -0.051 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.805 0.376 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.251 1.069 0.346 1.00 0.00 H new ATOM 161 N TYR A 30 -7.236 6.157 1.093 1.00 0.00 N ATOM 162 CA TYR A 30 -8.191 7.247 1.170 1.00 0.00 C ATOM 163 C TYR A 30 -9.604 6.747 0.998 1.00 0.00 C ATOM 164 O TYR A 30 -9.836 5.714 0.348 1.00 0.00 O ATOM 165 CB TYR A 30 -7.871 8.343 0.157 1.00 0.00 C ATOM 166 CG TYR A 30 -6.715 9.233 0.557 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.953 10.442 1.193 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.394 8.873 0.307 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.919 11.272 1.572 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.347 9.700 0.684 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.619 10.900 1.316 1.00 0.00 C ATOM 172 OH TYR A 30 -3.588 11.732 1.699 1.00 0.00 O ATOM 0 H TYR A 30 -6.943 5.925 0.144 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.108 7.684 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.644 7.880 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.758 8.960 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.971 10.740 1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.182 7.937 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.128 12.209 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.326 9.409 0.486 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.731 11.328 1.449 1.00 0.00 H new ATOM 182 N ASP A 31 -10.550 7.472 1.564 1.00 0.00 N ATOM 183 CA ASP A 31 -11.948 7.052 1.538 1.00 0.00 C ATOM 184 C ASP A 31 -12.565 7.305 0.185 1.00 0.00 C ATOM 185 O ASP A 31 -13.352 6.502 -0.315 1.00 0.00 O ATOM 186 CB ASP A 31 -12.766 7.731 2.635 1.00 0.00 C ATOM 187 CG ASP A 31 -14.211 7.262 2.650 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.494 6.187 3.223 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.091 7.966 2.113 1.00 0.00 O ATOM 0 H ASP A 31 -10.382 8.354 2.048 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.964 5.979 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.310 7.527 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.738 8.811 2.490 1.00 0.00 H new ATOM 194 N GLU A 32 -12.167 8.380 -0.426 1.00 0.00 N ATOM 195 CA GLU A 32 -12.657 8.739 -1.720 1.00 0.00 C ATOM 196 C GLU A 32 -11.558 8.503 -2.720 1.00 0.00 C ATOM 197 O GLU A 32 -10.461 8.077 -2.349 1.00 0.00 O ATOM 198 CB GLU A 32 -13.095 10.199 -1.766 1.00 0.00 C ATOM 199 CG GLU A 32 -14.245 10.561 -0.851 1.00 0.00 C ATOM 200 CD GLU A 32 -14.700 11.988 -1.053 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.620 12.224 -1.864 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.145 12.900 -0.428 1.00 0.00 O ATOM 0 H GLU A 32 -11.489 9.036 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.530 8.129 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.240 10.825 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.377 10.444 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.080 9.885 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.941 10.420 0.186 1.00 0.00 H new ATOM 209 N THR A 33 -11.838 8.744 -3.963 1.00 0.00 N ATOM 210 CA THR A 33 -10.889 8.537 -5.007 1.00 0.00 C ATOM 211 C THR A 33 -9.918 9.713 -5.090 1.00 0.00 C ATOM 212 O THR A 33 -10.138 10.733 -4.435 1.00 0.00 O ATOM 213 CB THR A 33 -11.641 8.354 -6.327 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.749 9.264 -6.357 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.174 6.952 -6.454 1.00 0.00 C ATOM 0 H THR A 33 -12.741 9.093 -4.282 1.00 0.00 H new ATOM 0 HA THR A 33 -10.303 7.642 -4.799 1.00 0.00 H new ATOM 0 HB THR A 33 -10.952 8.546 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.444 10.141 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.704 6.849 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.346 6.244 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.858 6.747 -5.631 1.00 0.00 H new ATOM 223 N TYR A 34 -8.846 9.547 -5.878 1.00 0.00 N ATOM 224 CA TYR A 34 -7.819 10.581 -6.152 1.00 0.00 C ATOM 225 C TYR A 34 -7.310 11.320 -4.903 1.00 0.00 C ATOM 226 O TYR A 34 -7.106 12.550 -4.928 1.00 0.00 O ATOM 227 CB TYR A 34 -8.243 11.542 -7.304 1.00 0.00 C ATOM 228 CG TYR A 34 -9.586 12.225 -7.131 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.742 11.582 -7.507 1.00 0.00 C ATOM 230 CD2 TYR A 34 -9.692 13.487 -6.575 1.00 0.00 C ATOM 231 CE1 TYR A 34 -11.965 12.156 -7.342 1.00 0.00 C ATOM 232 CE2 TYR A 34 -10.917 14.080 -6.409 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.053 13.412 -6.790 1.00 0.00 C ATOM 234 OH TYR A 34 -13.282 14.010 -6.622 1.00 0.00 O ATOM 0 H TYR A 34 -8.658 8.668 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.947 10.031 -6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.477 12.310 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.261 10.977 -8.236 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.678 10.597 -7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.799 14.012 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.859 11.629 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.987 15.069 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.163 14.895 -6.218 1.00 0.00 H new ATOM 244 N GLU A 35 -7.070 10.556 -3.835 1.00 0.00 N ATOM 245 CA GLU A 35 -6.577 11.067 -2.562 1.00 0.00 C ATOM 246 C GLU A 35 -7.545 12.066 -1.916 1.00 0.00 C ATOM 247 O GLU A 35 -7.134 13.013 -1.218 1.00 0.00 O ATOM 248 CB GLU A 35 -5.154 11.646 -2.667 1.00 0.00 C ATOM 249 CG GLU A 35 -4.049 10.623 -2.962 1.00 0.00 C ATOM 250 CD GLU A 35 -4.087 10.053 -4.354 1.00 0.00 C ATOM 251 OE1 GLU A 35 -4.616 8.960 -4.549 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.560 10.704 -5.287 1.00 0.00 O ATOM 0 H GLU A 35 -7.217 9.547 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.519 10.204 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.145 12.403 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.916 12.153 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.080 11.096 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.126 9.805 -2.245 1.00 0.00 H new ATOM 259 N ARG A 36 -8.815 11.839 -2.126 1.00 0.00 N ATOM 260 CA ARG A 36 -9.853 12.614 -1.496 1.00 0.00 C ATOM 261 C ARG A 36 -10.368 11.913 -0.244 1.00 0.00 C ATOM 262 O ARG A 36 -10.288 10.680 -0.118 1.00 0.00 O ATOM 263 CB ARG A 36 -11.011 12.876 -2.461 1.00 0.00 C ATOM 264 CG ARG A 36 -11.012 14.235 -3.129 1.00 0.00 C ATOM 265 CD ARG A 36 -11.179 15.338 -2.109 1.00 0.00 C ATOM 266 NE ARG A 36 -12.304 15.063 -1.198 1.00 0.00 N ATOM 267 CZ ARG A 36 -12.561 15.713 -0.067 1.00 0.00 C ATOM 268 NH1 ARG A 36 -11.823 16.749 0.299 1.00 0.00 N ATOM 269 NH2 ARG A 36 -13.545 15.297 0.697 1.00 0.00 N ATOM 0 H ARG A 36 -9.162 11.105 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.419 13.572 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.994 12.110 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.948 12.758 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.079 14.377 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.819 14.285 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.260 15.445 -1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.346 16.286 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.940 14.309 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.048 17.056 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.029 17.240 1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.099 14.487 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.755 15.784 1.568 1.00 0.00 H new ATOM 283 N GLY A 37 -10.893 12.697 0.660 1.00 0.00 N ATOM 284 CA GLY A 37 -11.433 12.192 1.880 1.00 0.00 C ATOM 285 C GLY A 37 -10.361 12.038 2.909 1.00 0.00 C ATOM 286 O GLY A 37 -9.258 12.593 2.760 1.00 0.00 O ATOM 0 H GLY A 37 -10.955 13.710 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.204 12.868 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.912 11.230 1.700 1.00 0.00 H new ATOM 290 N SER A 38 -10.663 11.334 3.942 1.00 0.00 N ATOM 291 CA SER A 38 -9.697 11.046 4.945 1.00 0.00 C ATOM 292 C SER A 38 -8.975 9.769 4.558 1.00 0.00 C ATOM 293 O SER A 38 -9.377 9.081 3.602 1.00 0.00 O ATOM 294 CB SER A 38 -10.363 10.893 6.301 1.00 0.00 C ATOM 295 OG SER A 38 -11.172 12.020 6.597 1.00 0.00 O ATOM 0 H SER A 38 -11.588 10.940 4.117 1.00 0.00 H new ATOM 0 HA SER A 38 -8.984 11.867 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.973 9.990 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.603 10.773 7.073 1.00 0.00 H new ATOM 0 HG SER A 38 -11.593 11.900 7.474 1.00 0.00 H new ATOM 301 N TYR A 39 -7.951 9.445 5.274 1.00 0.00 N ATOM 302 CA TYR A 39 -7.152 8.307 4.958 1.00 0.00 C ATOM 303 C TYR A 39 -6.813 7.557 6.211 1.00 0.00 C ATOM 304 O TYR A 39 -7.046 8.050 7.324 1.00 0.00 O ATOM 305 CB TYR A 39 -5.873 8.726 4.213 1.00 0.00 C ATOM 306 CG TYR A 39 -4.917 9.578 5.018 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.181 10.917 5.280 1.00 0.00 C ATOM 308 CD2 TYR A 39 -3.746 9.038 5.506 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.301 11.686 6.005 1.00 0.00 C ATOM 310 CE2 TYR A 39 -2.860 9.792 6.229 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.133 11.116 6.480 1.00 0.00 C ATOM 312 OH TYR A 39 -2.230 11.871 7.208 1.00 0.00 O ATOM 0 H TYR A 39 -7.643 9.963 6.097 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.723 7.652 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.349 7.828 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.156 9.274 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.092 11.361 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.523 7.999 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.520 12.725 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.949 9.347 6.601 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.467 11.312 7.463 1.00 0.00 H new ATOM 322 N ILE A 40 -6.332 6.383 6.044 1.00 0.00 N ATOM 323 CA ILE A 40 -5.898 5.580 7.143 1.00 0.00 C ATOM 324 C ILE A 40 -4.399 5.391 7.011 1.00 0.00 C ATOM 325 O ILE A 40 -3.860 5.431 5.891 1.00 0.00 O ATOM 326 CB ILE A 40 -6.604 4.185 7.140 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.267 3.390 8.417 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.196 3.399 5.904 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.961 2.051 8.522 1.00 0.00 C ATOM 0 H ILE A 40 -6.224 5.939 5.132 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.152 6.076 8.080 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.682 4.346 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.189 3.231 8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.533 3.992 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.692 2.429 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.487 3.950 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.116 3.254 5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.667 1.560 9.450 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.041 2.199 8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.676 1.426 7.675 1.00 0.00 H new ATOM 341 N GLU A 41 -3.734 5.229 8.111 1.00 0.00 N ATOM 342 CA GLU A 41 -2.343 4.945 8.091 1.00 0.00 C ATOM 343 C GLU A 41 -2.133 3.511 8.472 1.00 0.00 C ATOM 344 O GLU A 41 -2.619 3.045 9.505 1.00 0.00 O ATOM 345 CB GLU A 41 -1.613 5.860 9.045 1.00 0.00 C ATOM 346 CG GLU A 41 -1.554 7.285 8.568 1.00 0.00 C ATOM 347 CD GLU A 41 -1.091 8.223 9.624 1.00 0.00 C ATOM 348 OE1 GLU A 41 -1.941 8.868 10.267 1.00 0.00 O ATOM 349 OE2 GLU A 41 0.130 8.340 9.831 1.00 0.00 O ATOM 0 H GLU A 41 -4.143 5.291 9.043 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.947 5.113 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.105 5.829 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.598 5.489 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.884 7.350 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.542 7.590 8.224 1.00 0.00 H new ATOM 356 N VAL A 42 -1.448 2.817 7.626 1.00 0.00 N ATOM 357 CA VAL A 42 -1.115 1.445 7.840 1.00 0.00 C ATOM 358 C VAL A 42 0.382 1.354 7.896 1.00 0.00 C ATOM 359 O VAL A 42 1.070 1.947 7.065 1.00 0.00 O ATOM 360 CB VAL A 42 -1.661 0.577 6.690 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.316 -0.889 6.866 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.153 0.756 6.558 1.00 0.00 C ATOM 0 H VAL A 42 -1.095 3.195 6.746 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.558 1.081 8.767 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.179 0.914 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.722 -1.461 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.233 -1.007 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.745 -1.254 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.523 0.136 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.639 0.459 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.377 1.802 6.350 1.00 0.00 H new ATOM 372 N TYR A 43 0.878 0.655 8.864 1.00 0.00 N ATOM 373 CA TYR A 43 2.300 0.580 9.092 1.00 0.00 C ATOM 374 C TYR A 43 2.798 -0.842 8.931 1.00 0.00 C ATOM 375 O TYR A 43 3.946 -1.083 8.509 1.00 0.00 O ATOM 376 CB TYR A 43 2.589 1.062 10.509 1.00 0.00 C ATOM 377 CG TYR A 43 2.050 2.450 10.806 1.00 0.00 C ATOM 378 CD1 TYR A 43 0.835 2.623 11.454 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.753 3.578 10.440 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.349 3.883 11.728 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.268 4.843 10.707 1.00 0.00 C ATOM 382 CZ TYR A 43 1.074 4.991 11.350 1.00 0.00 C ATOM 383 OH TYR A 43 0.598 6.265 11.637 1.00 0.00 O ATOM 0 H TYR A 43 0.316 0.117 9.524 1.00 0.00 H new ATOM 0 HA TYR A 43 2.813 1.206 8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.158 0.355 11.218 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.667 1.059 10.671 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.261 1.756 11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.701 3.470 9.935 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.596 4.001 12.237 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.833 5.713 10.407 1.00 0.00 H new ATOM 0 HH TYR A 43 0.668 6.828 10.838 1.00 0.00 H new ATOM 393 N LYS A 44 1.931 -1.764 9.233 1.00 0.00 N ATOM 394 CA LYS A 44 2.242 -3.174 9.259 1.00 0.00 C ATOM 395 C LYS A 44 1.481 -3.887 8.161 1.00 0.00 C ATOM 396 O LYS A 44 0.533 -3.342 7.602 1.00 0.00 O ATOM 397 CB LYS A 44 1.810 -3.760 10.606 1.00 0.00 C ATOM 398 CG LYS A 44 0.309 -3.666 10.823 1.00 0.00 C ATOM 399 CD LYS A 44 -0.120 -4.228 12.144 1.00 0.00 C ATOM 400 CE LYS A 44 -1.633 -4.158 12.270 1.00 0.00 C ATOM 401 NZ LYS A 44 -2.132 -4.757 13.519 1.00 0.00 N ATOM 0 H LYS A 44 0.962 -1.557 9.475 1.00 0.00 H new ATOM 0 HA LYS A 44 3.314 -3.306 9.113 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.118 -4.804 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.324 -3.234 11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.001 -2.622 10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.204 -4.199 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.214 -5.262 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.347 -3.670 12.955 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.949 -3.116 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.087 -4.669 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.169 -4.681 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.857 -5.759 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.723 -4.255 14.333 1.00 0.00 H new ATOM 415 N SER A 45 1.901 -5.075 7.851 1.00 0.00 N ATOM 416 CA SER A 45 1.172 -5.902 6.930 1.00 0.00 C ATOM 417 C SER A 45 0.001 -6.508 7.713 1.00 0.00 C ATOM 418 O SER A 45 0.128 -6.795 8.920 1.00 0.00 O ATOM 419 CB SER A 45 2.071 -7.029 6.411 1.00 0.00 C ATOM 420 OG SER A 45 3.303 -6.533 5.908 1.00 0.00 O ATOM 0 H SER A 45 2.751 -5.499 8.224 1.00 0.00 H new ATOM 0 HA SER A 45 0.825 -5.319 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.266 -7.738 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.551 -7.575 5.624 1.00 0.00 H new ATOM 0 HG SER A 45 3.844 -7.279 5.573 1.00 0.00 H new ATOM 426 N VAL A 46 -1.104 -6.685 7.084 1.00 0.00 N ATOM 427 CA VAL A 46 -2.235 -7.234 7.749 1.00 0.00 C ATOM 428 C VAL A 46 -2.647 -8.506 7.032 1.00 0.00 C ATOM 429 O VAL A 46 -2.791 -8.521 5.808 1.00 0.00 O ATOM 430 CB VAL A 46 -3.407 -6.213 7.854 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.980 -5.860 6.506 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.478 -6.700 8.798 1.00 0.00 C ATOM 0 H VAL A 46 -1.252 -6.456 6.101 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.966 -7.473 8.778 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.990 -5.295 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.794 -5.146 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.202 -5.417 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.360 -6.761 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.281 -5.964 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.877 -7.648 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.051 -6.840 9.791 1.00 0.00 H new ATOM 442 N GLY A 47 -2.799 -9.565 7.764 1.00 0.00 N ATOM 443 CA GLY A 47 -3.115 -10.810 7.143 1.00 0.00 C ATOM 444 C GLY A 47 -4.592 -11.048 7.004 1.00 0.00 C ATOM 445 O GLY A 47 -5.016 -11.856 6.174 1.00 0.00 O ATOM 0 H GLY A 47 -2.711 -9.592 8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.654 -10.843 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.677 -11.620 7.726 1.00 0.00 H new ATOM 449 N SER A 48 -5.393 -10.359 7.784 1.00 0.00 N ATOM 450 CA SER A 48 -6.835 -10.543 7.748 1.00 0.00 C ATOM 451 C SER A 48 -7.569 -9.319 8.295 1.00 0.00 C ATOM 452 O SER A 48 -7.437 -8.959 9.466 1.00 0.00 O ATOM 453 CB SER A 48 -7.258 -11.822 8.513 1.00 0.00 C ATOM 454 OG SER A 48 -6.640 -12.990 7.967 1.00 0.00 O ATOM 0 H SER A 48 -5.073 -9.661 8.456 1.00 0.00 H new ATOM 0 HA SER A 48 -7.119 -10.664 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.987 -11.724 9.564 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.342 -11.930 8.471 1.00 0.00 H new ATOM 0 HG SER A 48 -6.162 -12.753 7.145 1.00 0.00 H new ATOM 460 N LEU A 49 -8.292 -8.676 7.424 1.00 0.00 N ATOM 461 CA LEU A 49 -9.109 -7.534 7.746 1.00 0.00 C ATOM 462 C LEU A 49 -10.544 -7.940 7.842 1.00 0.00 C ATOM 463 O LEU A 49 -11.118 -8.467 6.879 1.00 0.00 O ATOM 464 CB LEU A 49 -8.954 -6.493 6.658 1.00 0.00 C ATOM 465 CG LEU A 49 -7.587 -5.859 6.589 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.435 -5.069 5.315 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.388 -4.965 7.789 1.00 0.00 C ATOM 0 H LEU A 49 -8.333 -8.937 6.439 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.792 -7.123 8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.175 -6.955 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.696 -5.710 6.813 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.829 -6.642 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.443 -4.619 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.561 -5.732 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.191 -4.284 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.401 -4.506 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.151 -4.186 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.469 -5.557 8.701 1.00 0.00 H new ATOM 479 N SER A 50 -11.105 -7.743 8.996 1.00 0.00 N ATOM 480 CA SER A 50 -12.494 -7.981 9.207 1.00 0.00 C ATOM 481 C SER A 50 -13.094 -6.764 9.909 1.00 0.00 C ATOM 482 O SER A 50 -12.718 -6.460 11.052 1.00 0.00 O ATOM 483 CB SER A 50 -12.708 -9.286 10.000 1.00 0.00 C ATOM 484 OG SER A 50 -11.984 -9.275 11.236 1.00 0.00 O ATOM 0 H SER A 50 -10.606 -7.410 9.821 1.00 0.00 H new ATOM 0 HA SER A 50 -13.006 -8.116 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.771 -9.420 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.388 -10.136 9.397 1.00 0.00 H new ATOM 0 HG SER A 50 -11.916 -8.355 11.567 1.00 0.00 H new ATOM 490 N PRO A 51 -13.939 -5.991 9.225 1.00 0.00 N ATOM 491 CA PRO A 51 -14.302 -6.214 7.820 1.00 0.00 C ATOM 492 C PRO A 51 -13.187 -5.734 6.874 1.00 0.00 C ATOM 493 O PRO A 51 -12.292 -4.994 7.298 1.00 0.00 O ATOM 494 CB PRO A 51 -15.546 -5.334 7.627 1.00 0.00 C ATOM 495 CG PRO A 51 -15.871 -4.777 8.973 1.00 0.00 C ATOM 496 CD PRO A 51 -14.606 -4.815 9.760 1.00 0.00 C ATOM 0 HA PRO A 51 -14.467 -7.269 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.351 -4.535 6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.379 -5.917 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.247 -3.757 8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.649 -5.365 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.012 -3.912 9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.796 -4.907 10.829 1.00 0.00 H new ATOM 504 N PRO A 52 -13.190 -6.180 5.606 1.00 0.00 N ATOM 505 CA PRO A 52 -12.202 -5.742 4.625 1.00 0.00 C ATOM 506 C PRO A 52 -12.334 -4.246 4.350 1.00 0.00 C ATOM 507 O PRO A 52 -13.420 -3.657 4.510 1.00 0.00 O ATOM 508 CB PRO A 52 -12.543 -6.553 3.364 1.00 0.00 C ATOM 509 CG PRO A 52 -13.954 -6.971 3.552 1.00 0.00 C ATOM 510 CD PRO A 52 -14.141 -7.141 5.029 1.00 0.00 C ATOM 0 HA PRO A 52 -11.179 -5.900 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.426 -5.951 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.885 -7.416 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.639 -6.222 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.159 -7.902 3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.165 -6.924 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.924 -8.161 5.347 1.00 0.00 H new ATOM 518 N TRP A 53 -11.271 -3.644 3.925 1.00 0.00 N ATOM 519 CA TRP A 53 -11.269 -2.226 3.690 1.00 0.00 C ATOM 520 C TRP A 53 -11.665 -1.934 2.288 1.00 0.00 C ATOM 521 O TRP A 53 -11.220 -2.602 1.369 1.00 0.00 O ATOM 522 CB TRP A 53 -9.900 -1.617 3.966 1.00 0.00 C ATOM 523 CG TRP A 53 -9.491 -1.657 5.409 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.311 -1.763 6.500 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.162 -1.573 5.917 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.569 -1.763 7.646 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.246 -1.639 7.320 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.907 -1.455 5.324 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.118 -1.584 8.134 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.794 -1.407 6.134 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.905 -1.470 7.524 1.00 0.00 C ATOM 0 H TRP A 53 -10.385 -4.110 3.731 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.990 -1.780 4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.153 -2.145 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.901 -0.581 3.628 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.388 -1.836 6.460 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.941 -1.843 8.592 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.809 -1.402 4.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.201 -1.630 9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.816 -1.319 5.685 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.011 -1.428 8.128 1.00 0.00 H new ATOM 542 N THR A 54 -12.491 -0.950 2.126 1.00 0.00 N ATOM 543 CA THR A 54 -12.949 -0.540 0.832 1.00 0.00 C ATOM 544 C THR A 54 -12.561 0.924 0.566 1.00 0.00 C ATOM 545 O THR A 54 -13.360 1.832 0.800 1.00 0.00 O ATOM 546 CB THR A 54 -14.475 -0.723 0.736 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.087 -0.217 1.953 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.836 -2.190 0.562 1.00 0.00 C ATOM 0 H THR A 54 -12.872 -0.401 2.896 1.00 0.00 H new ATOM 0 HA THR A 54 -12.473 -1.161 0.073 1.00 0.00 H new ATOM 0 HB THR A 54 -14.842 -0.174 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.794 0.705 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.919 -2.293 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.380 -2.571 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.468 -2.759 1.416 1.00 0.00 H new ATOM 556 N PRO A 55 -11.296 1.187 0.210 1.00 0.00 N ATOM 557 CA PRO A 55 -10.832 2.537 -0.081 1.00 0.00 C ATOM 558 C PRO A 55 -11.238 3.031 -1.472 1.00 0.00 C ATOM 559 O PRO A 55 -11.503 2.243 -2.387 1.00 0.00 O ATOM 560 CB PRO A 55 -9.320 2.396 -0.005 1.00 0.00 C ATOM 561 CG PRO A 55 -9.073 1.008 -0.458 1.00 0.00 C ATOM 562 CD PRO A 55 -10.194 0.206 0.116 1.00 0.00 C ATOM 0 HA PRO A 55 -11.261 3.265 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.818 3.121 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.953 2.558 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.060 0.945 -1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.108 0.644 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.457 -0.635 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.937 -0.205 1.092 1.00 0.00 H new ATOM 570 N GLY A 56 -11.269 4.331 -1.622 1.00 0.00 N ATOM 571 CA GLY A 56 -11.565 4.925 -2.893 1.00 0.00 C ATOM 572 C GLY A 56 -10.303 5.042 -3.715 1.00 0.00 C ATOM 573 O GLY A 56 -10.312 4.865 -4.935 1.00 0.00 O ATOM 0 H GLY A 56 -11.091 4.999 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.300 4.320 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.008 5.911 -2.749 1.00 0.00 H new ATOM 577 N SER A 57 -9.211 5.300 -3.036 1.00 0.00 N ATOM 578 CA SER A 57 -7.922 5.431 -3.651 1.00 0.00 C ATOM 579 C SER A 57 -6.867 5.012 -2.655 1.00 0.00 C ATOM 580 O SER A 57 -7.115 5.018 -1.443 1.00 0.00 O ATOM 581 CB SER A 57 -7.693 6.869 -4.142 1.00 0.00 C ATOM 582 OG SER A 57 -7.937 7.821 -3.122 1.00 0.00 O ATOM 0 H SER A 57 -9.198 5.426 -2.024 1.00 0.00 H new ATOM 0 HA SER A 57 -7.864 4.785 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.668 6.972 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.346 7.071 -4.991 1.00 0.00 H new ATOM 0 HG SER A 57 -8.892 7.826 -2.901 1.00 0.00 H new ATOM 588 N VAL A 58 -5.726 4.610 -3.141 1.00 0.00 N ATOM 589 CA VAL A 58 -4.653 4.179 -2.283 1.00 0.00 C ATOM 590 C VAL A 58 -3.414 4.900 -2.726 1.00 0.00 C ATOM 591 O VAL A 58 -3.217 5.085 -3.928 1.00 0.00 O ATOM 592 CB VAL A 58 -4.395 2.647 -2.427 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.355 2.169 -1.429 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.682 1.842 -2.297 1.00 0.00 C ATOM 0 H VAL A 58 -5.512 4.571 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.912 4.392 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.004 2.480 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.197 1.098 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.417 2.697 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.704 2.369 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.459 0.780 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.127 2.023 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.381 2.146 -3.076 1.00 0.00 H new ATOM 604 N CYS A 59 -2.588 5.302 -1.804 1.00 0.00 N ATOM 605 CA CYS A 59 -1.365 5.947 -2.158 1.00 0.00 C ATOM 606 C CYS A 59 -0.279 5.590 -1.166 1.00 0.00 C ATOM 607 O CYS A 59 -0.552 5.290 0.008 1.00 0.00 O ATOM 608 CB CYS A 59 -1.528 7.472 -2.258 1.00 0.00 C ATOM 609 SG CYS A 59 -0.042 8.303 -2.934 1.00 0.00 S ATOM 0 H CYS A 59 -2.742 5.193 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.076 5.588 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.386 7.700 -2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.746 7.875 -1.269 1.00 0.00 H new ATOM 614 N VAL A 60 0.932 5.580 -1.636 1.00 0.00 N ATOM 615 CA VAL A 60 2.072 5.333 -0.805 1.00 0.00 C ATOM 616 C VAL A 60 2.895 6.607 -0.759 1.00 0.00 C ATOM 617 O VAL A 60 3.256 7.138 -1.815 1.00 0.00 O ATOM 618 CB VAL A 60 2.940 4.173 -1.353 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.170 3.944 -0.481 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.121 2.902 -1.447 1.00 0.00 C ATOM 0 H VAL A 60 1.159 5.745 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 60 1.734 5.043 0.190 1.00 0.00 H new ATOM 0 HB VAL A 60 3.280 4.451 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.759 3.124 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.775 4.850 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.856 3.694 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.744 2.095 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.752 2.633 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.277 3.062 -2.118 1.00 0.00 H new ATOM 630 N PRO A 61 3.152 7.148 0.444 1.00 0.00 N ATOM 631 CA PRO A 61 3.941 8.365 0.610 1.00 0.00 C ATOM 632 C PRO A 61 5.330 8.219 0.001 1.00 0.00 C ATOM 633 O PRO A 61 5.995 7.177 0.164 1.00 0.00 O ATOM 634 CB PRO A 61 4.043 8.540 2.136 1.00 0.00 C ATOM 635 CG PRO A 61 3.623 7.232 2.710 1.00 0.00 C ATOM 636 CD PRO A 61 2.682 6.622 1.723 1.00 0.00 C ATOM 0 HA PRO A 61 3.483 9.219 0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.060 8.793 2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.398 9.347 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.485 6.586 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.137 7.370 3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.721 5.533 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.649 6.909 1.921 1.00 0.00 H new ATOM 644 N PHE A 62 5.762 9.241 -0.690 1.00 0.00 N ATOM 645 CA PHE A 62 7.030 9.217 -1.353 1.00 0.00 C ATOM 646 C PHE A 62 8.167 9.317 -0.365 1.00 0.00 C ATOM 647 O PHE A 62 8.344 10.336 0.305 1.00 0.00 O ATOM 648 CB PHE A 62 7.125 10.331 -2.388 1.00 0.00 C ATOM 649 CG PHE A 62 8.386 10.292 -3.219 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.562 9.315 -4.180 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.372 11.245 -3.060 1.00 0.00 C ATOM 652 CE1 PHE A 62 9.692 9.287 -4.966 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.510 11.218 -3.843 1.00 0.00 C ATOM 654 CZ PHE A 62 10.666 10.239 -4.797 1.00 0.00 C ATOM 0 H PHE A 62 5.242 10.111 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 62 7.113 8.260 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.263 10.271 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.068 11.293 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.801 8.561 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.253 12.019 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.812 8.517 -5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.277 11.966 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.554 10.220 -5.412 1.00 0.00 H new ATOM 664 N VAL A 63 8.905 8.256 -0.256 1.00 0.00 N ATOM 665 CA VAL A 63 10.068 8.242 0.563 1.00 0.00 C ATOM 666 C VAL A 63 11.239 8.583 -0.329 1.00 0.00 C ATOM 667 O VAL A 63 11.543 7.851 -1.254 1.00 0.00 O ATOM 668 CB VAL A 63 10.301 6.841 1.196 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.490 6.860 2.141 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.042 6.343 1.904 1.00 0.00 C ATOM 0 H VAL A 63 8.714 7.376 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 63 9.953 8.957 1.378 1.00 0.00 H new ATOM 0 HB VAL A 63 10.528 6.143 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.630 5.868 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.387 7.148 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.308 7.578 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.233 5.361 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.768 7.042 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.225 6.270 1.186 1.00 0.00 H new ATOM 680 N ASN A 64 11.850 9.692 -0.070 1.00 0.00 N ATOM 681 CA ASN A 64 12.997 10.160 -0.852 1.00 0.00 C ATOM 682 C ASN A 64 14.232 10.055 -0.004 1.00 0.00 C ATOM 683 O ASN A 64 15.282 10.612 -0.304 1.00 0.00 O ATOM 684 CB ASN A 64 12.807 11.622 -1.289 1.00 0.00 C ATOM 685 CG ASN A 64 12.723 12.626 -0.134 1.00 0.00 C ATOM 686 OD1 ASN A 64 12.222 12.330 0.958 1.00 0.00 O ATOM 687 ND2 ASN A 64 13.212 13.806 -0.360 1.00 0.00 N ATOM 0 H ASN A 64 11.583 10.318 0.690 1.00 0.00 H new ATOM 0 HA ASN A 64 13.089 9.544 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.635 11.904 -1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.896 11.695 -1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.189 14.516 0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.619 14.024 -1.269 1.00 0.00 H new ATOM 694 N ASP A 65 14.083 9.319 1.037 1.00 0.00 N ATOM 695 CA ASP A 65 15.084 9.161 2.040 1.00 0.00 C ATOM 696 C ASP A 65 16.209 8.246 1.586 1.00 0.00 C ATOM 697 O ASP A 65 15.988 7.317 0.807 1.00 0.00 O ATOM 698 CB ASP A 65 14.495 8.718 3.349 1.00 0.00 C ATOM 699 CG ASP A 65 15.413 9.043 4.488 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.342 9.857 4.300 1.00 0.00 O ATOM 701 OD2 ASP A 65 15.204 8.533 5.591 1.00 0.00 O ATOM 0 H ASP A 65 13.232 8.789 1.225 1.00 0.00 H new ATOM 0 HA ASP A 65 15.526 10.144 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.532 9.206 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.308 7.645 3.323 1.00 0.00 H new ATOM 706 N THR A 66 17.399 8.544 2.067 1.00 0.00 N ATOM 707 CA THR A 66 18.679 7.935 1.694 1.00 0.00 C ATOM 708 C THR A 66 18.689 6.383 1.776 1.00 0.00 C ATOM 709 O THR A 66 19.511 5.730 1.109 1.00 0.00 O ATOM 710 CB THR A 66 19.711 8.441 2.708 1.00 0.00 C ATOM 711 OG1 THR A 66 19.479 9.849 2.942 1.00 0.00 O ATOM 712 CG2 THR A 66 21.125 8.259 2.193 1.00 0.00 C ATOM 0 H THR A 66 17.515 9.266 2.778 1.00 0.00 H new ATOM 0 HA THR A 66 18.886 8.205 0.659 1.00 0.00 H new ATOM 0 HB THR A 66 19.602 7.867 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.008 9.966 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.833 8.628 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.311 7.201 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.249 8.817 1.265 1.00 0.00 H new ATOM 720 N LYS A 67 17.785 5.814 2.550 1.00 0.00 N ATOM 721 CA LYS A 67 17.755 4.384 2.767 1.00 0.00 C ATOM 722 C LYS A 67 17.597 3.614 1.456 1.00 0.00 C ATOM 723 O LYS A 67 16.814 3.988 0.578 1.00 0.00 O ATOM 724 CB LYS A 67 16.720 3.969 3.826 1.00 0.00 C ATOM 725 CG LYS A 67 17.075 4.402 5.265 1.00 0.00 C ATOM 726 CD LYS A 67 16.968 5.901 5.479 1.00 0.00 C ATOM 727 CE LYS A 67 17.268 6.290 6.917 1.00 0.00 C ATOM 728 NZ LYS A 67 17.263 7.758 7.091 1.00 0.00 N ATOM 0 H LYS A 67 17.055 6.328 3.043 1.00 0.00 H new ATOM 0 HA LYS A 67 18.726 4.108 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.753 4.395 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.608 2.885 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.413 3.893 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.091 4.080 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.661 6.414 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.965 6.235 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.527 5.841 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.240 5.891 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.437 7.990 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.009 8.180 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.339 8.138 6.804 1.00 0.00 H new ATOM 742 N ARG A 68 18.366 2.556 1.348 1.00 0.00 N ATOM 743 CA ARG A 68 18.529 1.763 0.134 1.00 0.00 C ATOM 744 C ARG A 68 17.262 0.987 -0.250 1.00 0.00 C ATOM 745 O ARG A 68 17.076 0.625 -1.413 1.00 0.00 O ATOM 746 CB ARG A 68 19.708 0.815 0.350 1.00 0.00 C ATOM 747 CG ARG A 68 20.084 -0.066 -0.826 1.00 0.00 C ATOM 748 CD ARG A 68 21.239 -0.966 -0.440 1.00 0.00 C ATOM 749 NE ARG A 68 20.900 -1.785 0.734 1.00 0.00 N ATOM 750 CZ ARG A 68 21.761 -2.258 1.635 1.00 0.00 C ATOM 751 NH1 ARG A 68 23.066 -2.050 1.496 1.00 0.00 N ATOM 752 NH2 ARG A 68 21.307 -2.950 2.669 1.00 0.00 N ATOM 0 H ARG A 68 18.920 2.204 2.129 1.00 0.00 H new ATOM 0 HA ARG A 68 18.721 2.436 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.579 1.409 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.479 0.172 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.228 -0.668 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.361 0.551 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.495 -1.614 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.120 -0.361 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 68 19.915 -2.012 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.416 -1.525 0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.718 -2.416 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.306 -3.117 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.958 -3.316 3.363 1.00 0.00 H new ATOM 766 N GLU A 69 16.413 0.733 0.708 1.00 0.00 N ATOM 767 CA GLU A 69 15.185 0.019 0.448 1.00 0.00 C ATOM 768 C GLU A 69 14.014 0.965 0.578 1.00 0.00 C ATOM 769 O GLU A 69 13.897 1.658 1.567 1.00 0.00 O ATOM 770 CB GLU A 69 14.971 -1.151 1.437 1.00 0.00 C ATOM 771 CG GLU A 69 15.975 -2.308 1.386 1.00 0.00 C ATOM 772 CD GLU A 69 17.376 -1.952 1.806 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.548 -1.260 2.833 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.336 -2.415 1.154 1.00 0.00 O ATOM 0 H GLU A 69 16.546 1.010 1.681 1.00 0.00 H new ATOM 0 HA GLU A 69 15.255 -0.387 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.977 -0.743 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.976 -1.560 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.613 -3.112 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.005 -2.699 0.369 1.00 0.00 H new ATOM 781 N ARG A 70 13.168 1.008 -0.405 1.00 0.00 N ATOM 782 CA ARG A 70 11.955 1.786 -0.318 1.00 0.00 C ATOM 783 C ARG A 70 10.770 0.868 -0.129 1.00 0.00 C ATOM 784 O ARG A 70 10.791 -0.253 -0.586 1.00 0.00 O ATOM 785 CB ARG A 70 11.751 2.732 -1.515 1.00 0.00 C ATOM 786 CG ARG A 70 12.398 4.103 -1.336 1.00 0.00 C ATOM 787 CD ARG A 70 13.907 4.040 -1.284 1.00 0.00 C ATOM 788 NE ARG A 70 14.477 3.645 -2.584 1.00 0.00 N ATOM 789 CZ ARG A 70 15.715 3.929 -2.990 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.621 4.342 -2.118 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.057 3.732 -4.260 1.00 0.00 N ATOM 0 H ARG A 70 13.291 0.511 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 70 12.049 2.435 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.159 2.263 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.682 2.864 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.095 4.752 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.027 4.557 -0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.303 5.013 -0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.216 3.328 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 70 13.881 3.115 -3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.373 4.443 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.568 4.559 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.373 3.364 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.003 3.949 -4.573 1.00 0.00 H new ATOM 805 N PRO A 71 9.737 1.305 0.563 1.00 0.00 N ATOM 806 CA PRO A 71 8.586 0.459 0.832 1.00 0.00 C ATOM 807 C PRO A 71 7.652 0.325 -0.388 1.00 0.00 C ATOM 808 O PRO A 71 7.399 1.296 -1.106 1.00 0.00 O ATOM 809 CB PRO A 71 7.917 1.180 1.995 1.00 0.00 C ATOM 810 CG PRO A 71 8.209 2.621 1.756 1.00 0.00 C ATOM 811 CD PRO A 71 9.582 2.659 1.140 1.00 0.00 C ATOM 0 HA PRO A 71 8.855 -0.573 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.844 0.990 2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.318 0.847 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.469 3.066 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.182 3.186 2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.658 3.432 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.350 2.869 1.884 1.00 0.00 H new ATOM 819 N TYR A 72 7.181 -0.876 -0.622 1.00 0.00 N ATOM 820 CA TYR A 72 6.299 -1.188 -1.731 1.00 0.00 C ATOM 821 C TYR A 72 5.149 -1.992 -1.142 1.00 0.00 C ATOM 822 O TYR A 72 5.376 -2.967 -0.444 1.00 0.00 O ATOM 823 CB TYR A 72 7.074 -2.022 -2.769 1.00 0.00 C ATOM 824 CG TYR A 72 6.417 -2.168 -4.137 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.436 -3.115 -4.373 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.813 -1.367 -5.204 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.869 -3.261 -5.625 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.245 -1.504 -6.457 1.00 0.00 C ATOM 829 CZ TYR A 72 5.273 -2.455 -6.661 1.00 0.00 C ATOM 830 OH TYR A 72 4.706 -2.610 -7.921 1.00 0.00 O ATOM 0 H TYR A 72 7.402 -1.683 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 72 5.927 -0.294 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.057 -1.571 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.235 -3.018 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.108 -3.751 -3.565 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.580 -0.623 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.108 -4.009 -5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.563 -0.868 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 72 5.102 -1.961 -8.540 1.00 0.00 H new ATOM 840 N TRP A 73 3.954 -1.598 -1.394 1.00 0.00 N ATOM 841 CA TRP A 73 2.827 -2.194 -0.739 1.00 0.00 C ATOM 842 C TRP A 73 1.981 -3.011 -1.690 1.00 0.00 C ATOM 843 O TRP A 73 1.762 -2.617 -2.832 1.00 0.00 O ATOM 844 CB TRP A 73 2.011 -1.102 -0.068 1.00 0.00 C ATOM 845 CG TRP A 73 2.742 -0.424 1.065 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.676 0.569 0.980 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.569 -0.687 2.449 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.088 0.931 2.238 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.415 0.177 3.158 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.769 -1.569 3.149 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.476 0.179 4.550 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.816 -1.570 4.522 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.663 -0.699 5.215 1.00 0.00 C ATOM 0 H TRP A 73 3.721 -0.857 -2.055 1.00 0.00 H new ATOM 0 HA TRP A 73 3.191 -2.891 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.735 -0.355 -0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.084 -1.532 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 73 4.037 1.004 0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.783 1.646 2.452 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.115 -2.249 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.138 0.846 5.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.189 -2.254 5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.676 -0.719 6.295 1.00 0.00 H new ATOM 864 N TYR A 74 1.552 -4.155 -1.227 1.00 0.00 N ATOM 865 CA TYR A 74 0.691 -5.037 -1.972 1.00 0.00 C ATOM 866 C TYR A 74 -0.639 -5.179 -1.279 1.00 0.00 C ATOM 867 O TYR A 74 -0.704 -5.263 -0.056 1.00 0.00 O ATOM 868 CB TYR A 74 1.332 -6.408 -2.171 1.00 0.00 C ATOM 869 CG TYR A 74 2.320 -6.469 -3.308 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.876 -6.555 -4.618 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.680 -6.451 -3.082 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.754 -6.618 -5.668 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.576 -6.518 -4.131 1.00 0.00 C ATOM 874 CZ TYR A 74 4.104 -6.600 -5.424 1.00 0.00 C ATOM 875 OH TYR A 74 4.988 -6.652 -6.480 1.00 0.00 O ATOM 0 H TYR A 74 1.796 -4.508 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 74 0.534 -4.595 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.837 -6.698 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.546 -7.142 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.814 -6.573 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.050 -6.384 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.386 -6.681 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.639 -6.506 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 74 5.907 -6.629 -6.139 1.00 0.00 H new ATOM 885 N LEU A 75 -1.682 -5.259 -2.055 1.00 0.00 N ATOM 886 CA LEU A 75 -3.027 -5.326 -1.535 1.00 0.00 C ATOM 887 C LEU A 75 -3.669 -6.550 -2.132 1.00 0.00 C ATOM 888 O LEU A 75 -3.401 -6.879 -3.301 1.00 0.00 O ATOM 889 CB LEU A 75 -3.817 -4.092 -2.018 1.00 0.00 C ATOM 890 CG LEU A 75 -3.098 -2.733 -1.933 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.959 -1.632 -2.501 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.707 -2.401 -0.514 1.00 0.00 C ATOM 0 H LEU A 75 -1.628 -5.280 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.020 -5.360 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.108 -4.259 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.736 -4.027 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.188 -2.812 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.429 -0.682 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.181 -1.846 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.890 -1.571 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.202 -1.435 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.600 -2.357 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.036 -3.170 -0.132 1.00 0.00 H new ATOM 904 N PHE A 76 -4.476 -7.236 -1.344 1.00 0.00 N ATOM 905 CA PHE A 76 -5.128 -8.462 -1.768 1.00 0.00 C ATOM 906 C PHE A 76 -6.580 -8.417 -1.383 1.00 0.00 C ATOM 907 O PHE A 76 -6.928 -7.950 -0.283 1.00 0.00 O ATOM 908 CB PHE A 76 -4.469 -9.682 -1.109 1.00 0.00 C ATOM 909 CG PHE A 76 -3.009 -9.804 -1.400 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.562 -10.561 -2.463 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.084 -9.146 -0.617 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.227 -10.653 -2.735 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.750 -9.237 -0.886 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.318 -9.989 -1.948 1.00 0.00 C ATOM 0 H PHE A 76 -4.699 -6.958 -0.388 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.031 -8.550 -2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.612 -9.623 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.975 -10.586 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.273 -11.085 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.420 -8.551 0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.886 -11.248 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.036 -8.718 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.737 -10.059 -2.166 1.00 0.00 H new ATOM 924 N ASP A 77 -7.432 -8.896 -2.258 1.00 0.00 N ATOM 925 CA ASP A 77 -8.870 -8.857 -2.010 1.00 0.00 C ATOM 926 C ASP A 77 -9.308 -9.939 -1.050 1.00 0.00 C ATOM 927 O ASP A 77 -10.416 -9.873 -0.509 1.00 0.00 O ATOM 928 CB ASP A 77 -9.692 -8.947 -3.303 1.00 0.00 C ATOM 929 CG ASP A 77 -9.792 -10.321 -3.894 1.00 0.00 C ATOM 930 OD1 ASP A 77 -10.889 -10.909 -3.860 1.00 0.00 O ATOM 931 OD2 ASP A 77 -8.821 -10.819 -4.426 1.00 0.00 O ATOM 0 H ASP A 77 -7.165 -9.318 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.063 -7.886 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.698 -8.580 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.251 -8.280 -4.044 1.00 0.00 H new ATOM 936 N ASN A 78 -8.470 -10.928 -0.826 1.00 0.00 N ATOM 937 CA ASN A 78 -8.808 -11.973 0.108 1.00 0.00 C ATOM 938 C ASN A 78 -7.753 -12.030 1.205 1.00 0.00 C ATOM 939 O ASN A 78 -6.707 -11.398 1.079 1.00 0.00 O ATOM 940 CB ASN A 78 -8.973 -13.314 -0.601 1.00 0.00 C ATOM 941 CG ASN A 78 -9.785 -14.275 0.233 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.251 -15.101 0.970 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.072 -14.114 0.184 1.00 0.00 N ATOM 0 H ASN A 78 -7.559 -11.028 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.770 -11.748 0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.461 -13.162 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.992 -13.744 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.680 -14.685 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.475 -13.417 -0.442 1.00 0.00 H new ATOM 950 N VAL A 79 -8.037 -12.743 2.290 1.00 0.00 N ATOM 951 CA VAL A 79 -7.142 -12.826 3.442 1.00 0.00 C ATOM 952 C VAL A 79 -5.913 -13.653 3.143 1.00 0.00 C ATOM 953 O VAL A 79 -5.866 -14.373 2.142 1.00 0.00 O ATOM 954 CB VAL A 79 -7.835 -13.439 4.690 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.000 -12.591 5.144 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.278 -14.875 4.422 1.00 0.00 C ATOM 0 H VAL A 79 -8.897 -13.282 2.397 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.856 -11.796 3.655 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.103 -13.457 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.463 -13.047 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.645 -11.593 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.733 -12.520 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.760 -15.279 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.982 -14.889 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.409 -15.483 4.172 1.00 0.00 H new ATOM 966 N ASN A 80 -4.923 -13.535 4.016 1.00 0.00 N ATOM 967 CA ASN A 80 -3.680 -14.308 3.951 1.00 0.00 C ATOM 968 C ASN A 80 -2.955 -14.123 2.632 1.00 0.00 C ATOM 969 O ASN A 80 -2.233 -15.011 2.167 1.00 0.00 O ATOM 970 CB ASN A 80 -3.934 -15.795 4.265 1.00 0.00 C ATOM 971 CG ASN A 80 -4.164 -16.047 5.750 1.00 0.00 C ATOM 972 OD1 ASN A 80 -5.392 -15.961 6.198 1.00 0.00 O flip ATOM 973 ND2 ASN A 80 -3.223 -16.296 6.495 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.957 -12.890 4.805 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.016 -13.917 4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.802 -16.138 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.082 -16.385 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.277 -16.357 6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.386 -16.442 7.491 1.00 0.00 H new ATOM 980 N TYR A 81 -3.122 -12.928 2.072 1.00 0.00 N ATOM 981 CA TYR A 81 -2.490 -12.487 0.841 1.00 0.00 C ATOM 982 C TYR A 81 -2.878 -13.386 -0.319 1.00 0.00 C ATOM 983 O TYR A 81 -2.013 -13.847 -1.084 1.00 0.00 O ATOM 984 CB TYR A 81 -0.956 -12.425 0.983 1.00 0.00 C ATOM 985 CG TYR A 81 -0.464 -11.752 2.245 1.00 0.00 C ATOM 986 CD1 TYR A 81 -1.095 -10.636 2.768 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.638 -12.245 2.913 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.644 -10.049 3.920 1.00 0.00 C ATOM 989 CE2 TYR A 81 1.097 -11.652 4.059 1.00 0.00 C ATOM 990 CZ TYR A 81 0.454 -10.560 4.560 1.00 0.00 C ATOM 991 OH TYR A 81 0.911 -9.975 5.715 1.00 0.00 O ATOM 0 H TYR A 81 -3.726 -12.216 2.483 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.848 -11.479 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.561 -13.440 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.546 -11.896 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.954 -10.223 2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.148 -13.114 2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.153 -9.186 4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.966 -12.048 4.564 1.00 0.00 H new ATOM 0 HH TYR A 81 1.697 -10.462 6.040 1.00 0.00 H new ATOM 1001 N THR A 82 -4.160 -13.636 -0.456 1.00 0.00 N ATOM 1002 CA THR A 82 -4.637 -14.463 -1.527 1.00 0.00 C ATOM 1003 C THR A 82 -5.612 -13.678 -2.393 1.00 0.00 C ATOM 1004 O THR A 82 -6.053 -12.570 -2.014 1.00 0.00 O ATOM 1005 CB THR A 82 -5.311 -15.766 -1.008 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.450 -15.465 -0.188 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.333 -16.599 -0.205 1.00 0.00 C ATOM 0 H THR A 82 -4.886 -13.276 0.163 1.00 0.00 H new ATOM 0 HA THR A 82 -3.774 -14.760 -2.122 1.00 0.00 H new ATOM 0 HB THR A 82 -5.635 -16.332 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.193 -14.822 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.829 -17.504 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.485 -16.870 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.981 -16.023 0.651 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.945 -14.226 -3.533 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.849 -13.580 -4.419 1.00 0.00 C ATOM 1017 C GLY A 83 -6.112 -12.720 -5.402 1.00 0.00 C ATOM 1018 O GLY A 83 -5.048 -13.112 -5.907 1.00 0.00 O ATOM 0 H GLY A 83 -5.595 -15.126 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.438 -14.326 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.549 -12.970 -3.849 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.641 -11.572 -5.645 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.093 -10.615 -6.577 1.00 0.00 C ATOM 1024 C ARG A 84 -4.980 -9.833 -5.908 1.00 0.00 C ATOM 1025 O ARG A 84 -4.963 -9.710 -4.683 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.193 -9.673 -7.017 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.294 -10.329 -7.820 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.443 -9.371 -8.023 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.516 -9.960 -8.820 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.791 -10.091 -8.429 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.153 -9.771 -7.186 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.698 -10.568 -9.273 1.00 0.00 N ATOM 0 H ARG A 84 -7.496 -11.251 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.687 -11.134 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.632 -9.209 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.753 -8.873 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.905 -10.650 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.645 -11.223 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.837 -9.068 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.080 -8.469 -8.515 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.275 -10.300 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.457 -9.424 -6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.125 -9.873 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.424 -10.835 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.669 -10.668 -8.976 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.088 -9.277 -6.694 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.945 -8.596 -6.147 1.00 0.00 C ATOM 1048 C ILE A 85 -2.792 -7.199 -6.770 1.00 0.00 C ATOM 1049 O ILE A 85 -3.047 -6.992 -7.961 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.647 -9.447 -6.355 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.486 -8.879 -5.553 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.257 -9.497 -7.832 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.748 -9.765 -5.568 1.00 0.00 C ATOM 0 H ILE A 85 -4.134 -9.284 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.101 -8.470 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.863 -10.456 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.225 -7.898 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.805 -8.730 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.353 -10.094 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.066 -9.947 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.074 -8.485 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.537 -9.300 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.502 -10.738 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.091 -9.893 -6.595 1.00 0.00 H new ATOM 1065 N THR A 86 -2.499 -6.241 -5.953 1.00 0.00 N ATOM 1066 CA THR A 86 -2.216 -4.894 -6.410 1.00 0.00 C ATOM 1067 C THR A 86 -0.943 -4.387 -5.746 1.00 0.00 C ATOM 1068 O THR A 86 -0.817 -4.493 -4.542 1.00 0.00 O ATOM 1069 CB THR A 86 -3.413 -3.953 -6.132 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.554 -4.446 -6.837 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.127 -2.532 -6.579 1.00 0.00 C ATOM 0 H THR A 86 -2.445 -6.358 -4.941 1.00 0.00 H new ATOM 0 HA THR A 86 -2.062 -4.908 -7.489 1.00 0.00 H new ATOM 0 HB THR A 86 -3.595 -3.935 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.105 -4.985 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.991 -1.903 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.259 -2.149 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.925 -2.521 -7.650 1.00 0.00 H new ATOM 1079 N GLY A 87 -0.003 -3.894 -6.524 1.00 0.00 N ATOM 1080 CA GLY A 87 1.222 -3.373 -5.958 1.00 0.00 C ATOM 1081 C GLY A 87 1.383 -1.882 -6.177 1.00 0.00 C ATOM 1082 O GLY A 87 1.221 -1.398 -7.293 1.00 0.00 O ATOM 0 H GLY A 87 -0.062 -3.843 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.241 -3.583 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.071 -3.894 -6.400 1.00 0.00 H new ATOM 1086 N LEU A 88 1.684 -1.161 -5.123 1.00 0.00 N ATOM 1087 CA LEU A 88 1.901 0.282 -5.180 1.00 0.00 C ATOM 1088 C LEU A 88 3.281 0.645 -4.690 1.00 0.00 C ATOM 1089 O LEU A 88 3.831 -0.016 -3.796 1.00 0.00 O ATOM 1090 CB LEU A 88 0.831 1.060 -4.381 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.369 1.599 -5.172 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.078 2.657 -6.163 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.091 0.482 -5.884 1.00 0.00 C ATOM 0 H LEU A 88 1.788 -1.555 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 88 1.813 0.572 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.453 0.407 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.319 1.902 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.062 2.056 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.786 3.027 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.547 3.482 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.794 2.223 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.937 0.890 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.408 -0.010 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.451 -0.243 -5.153 1.00 0.00 H new ATOM 1105 N GLY A 89 3.834 1.692 -5.264 1.00 0.00 N ATOM 1106 CA GLY A 89 5.151 2.128 -4.904 1.00 0.00 C ATOM 1107 C GLY A 89 5.139 3.512 -4.301 1.00 0.00 C ATOM 1108 O GLY A 89 4.119 4.216 -4.379 1.00 0.00 O ATOM 0 H GLY A 89 3.383 2.255 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.584 1.425 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.790 2.122 -5.787 1.00 0.00 H new ATOM 1112 N HIS A 90 6.261 3.912 -3.722 1.00 0.00 N ATOM 1113 CA HIS A 90 6.375 5.206 -3.043 1.00 0.00 C ATOM 1114 C HIS A 90 6.172 6.374 -4.010 1.00 0.00 C ATOM 1115 O HIS A 90 6.860 6.491 -5.028 1.00 0.00 O ATOM 1116 CB HIS A 90 7.722 5.342 -2.255 1.00 0.00 C ATOM 1117 CG HIS A 90 8.985 5.386 -3.098 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.903 6.420 -3.080 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.471 4.487 -3.974 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.879 6.117 -3.930 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.667 4.948 -4.501 1.00 0.00 N ATOM 0 H HIS A 90 7.117 3.357 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 90 5.570 5.246 -2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.678 6.250 -1.654 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.801 4.505 -1.562 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.842 7.266 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.000 3.549 -4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.734 6.747 -4.127 1.00 0.00 H new ATOM 1129 N GLY A 91 5.208 7.201 -3.707 1.00 0.00 N ATOM 1130 CA GLY A 91 4.929 8.351 -4.515 1.00 0.00 C ATOM 1131 C GLY A 91 3.907 8.065 -5.576 1.00 0.00 C ATOM 1132 O GLY A 91 3.514 8.952 -6.325 1.00 0.00 O ATOM 0 H GLY A 91 4.598 7.095 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.573 9.162 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.851 8.695 -4.984 1.00 0.00 H new ATOM 1136 N THR A 92 3.468 6.836 -5.650 1.00 0.00 N ATOM 1137 CA THR A 92 2.494 6.462 -6.621 1.00 0.00 C ATOM 1138 C THR A 92 1.160 6.242 -5.913 1.00 0.00 C ATOM 1139 O THR A 92 1.127 5.782 -4.755 1.00 0.00 O ATOM 1140 CB THR A 92 2.939 5.167 -7.311 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.337 5.290 -7.637 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.147 4.938 -8.594 1.00 0.00 C ATOM 0 H THR A 92 3.777 6.078 -5.042 1.00 0.00 H new ATOM 0 HA THR A 92 2.387 7.246 -7.371 1.00 0.00 H new ATOM 0 HB THR A 92 2.765 4.323 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.643 4.470 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.479 4.014 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.085 4.863 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.309 5.773 -9.276 1.00 0.00 H new ATOM 1150 N CYS A 93 0.081 6.562 -6.580 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.222 6.411 -6.000 1.00 0.00 C ATOM 1152 C CYS A 93 -2.182 5.902 -7.073 1.00 0.00 C ATOM 1153 O CYS A 93 -1.913 6.042 -8.271 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.755 7.754 -5.522 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.554 8.961 -4.792 1.00 0.00 S ATOM 0 H CYS A 93 0.083 6.931 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.148 5.719 -5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.243 8.239 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.527 7.560 -4.777 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.264 5.291 -6.650 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.318 4.840 -7.549 1.00 0.00 C ATOM 1162 C ILE A 94 -5.375 5.927 -7.623 1.00 0.00 C ATOM 1163 O ILE A 94 -5.761 6.454 -6.583 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.988 3.560 -7.021 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.937 2.513 -6.749 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.005 3.030 -8.036 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.495 1.225 -6.182 1.00 0.00 C ATOM 0 H ILE A 94 -3.445 5.088 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.880 4.633 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.513 3.793 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.408 2.293 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.204 2.919 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.470 2.124 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.772 3.785 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.498 2.803 -8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.681 0.520 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.999 1.431 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.206 0.795 -6.887 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.819 6.286 -8.813 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.858 7.338 -8.937 1.00 0.00 C ATOM 1181 C ASP A 95 -8.194 6.804 -8.448 1.00 0.00 C ATOM 1182 O ASP A 95 -8.851 7.397 -7.594 1.00 0.00 O ATOM 1183 CB ASP A 95 -7.007 7.798 -10.385 1.00 0.00 C ATOM 1184 CG ASP A 95 -7.779 9.116 -10.510 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -9.013 9.109 -10.571 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -7.139 10.190 -10.559 1.00 0.00 O ATOM 0 H ASP A 95 -5.499 5.888 -9.696 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.548 8.188 -8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.018 7.917 -10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.521 7.025 -10.957 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.539 5.636 -8.930 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.777 4.969 -8.543 1.00 0.00 C ATOM 1193 C ASP A 96 -9.521 3.529 -8.187 1.00 0.00 C ATOM 1194 O ASP A 96 -9.444 2.666 -9.076 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.817 4.901 -9.649 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.410 6.181 -10.182 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.902 6.713 -11.178 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.484 6.602 -9.704 1.00 0.00 O ATOM 0 H ASP A 96 -7.977 5.114 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.145 5.568 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.367 4.373 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.640 4.284 -9.288 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.367 3.242 -6.927 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.211 1.868 -6.494 1.00 0.00 C ATOM 1205 C PHE A 97 -10.496 1.084 -6.767 1.00 0.00 C ATOM 1206 O PHE A 97 -10.467 -0.047 -7.216 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.817 1.785 -5.026 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.504 0.392 -4.597 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.311 -0.277 -3.710 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.399 -0.252 -5.105 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -9.014 -1.566 -3.331 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.094 -1.537 -4.736 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.901 -2.194 -3.848 1.00 0.00 C ATOM 0 H PHE A 97 -9.345 3.933 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.400 1.419 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.949 2.420 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.628 2.177 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.185 0.212 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.761 0.264 -5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.651 -2.085 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.222 -2.027 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.666 -3.206 -3.552 1.00 0.00 H new ATOM 1223 N THR A 98 -11.613 1.758 -6.574 1.00 0.00 N ATOM 1224 CA THR A 98 -12.938 1.168 -6.719 1.00 0.00 C ATOM 1225 C THR A 98 -13.219 0.714 -8.170 1.00 0.00 C ATOM 1226 O THR A 98 -13.956 -0.258 -8.408 1.00 0.00 O ATOM 1227 CB THR A 98 -14.044 2.157 -6.208 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.366 1.659 -6.489 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.874 3.546 -6.820 1.00 0.00 C ATOM 0 H THR A 98 -11.631 2.743 -6.309 1.00 0.00 H new ATOM 0 HA THR A 98 -12.965 0.272 -6.099 1.00 0.00 H new ATOM 0 HB THR A 98 -13.925 2.235 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.033 2.296 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.656 4.207 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.898 3.947 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.947 3.477 -7.905 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.589 1.370 -9.132 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.816 1.046 -10.533 1.00 0.00 C ATOM 1239 C LYS A 99 -11.853 -0.032 -10.987 1.00 0.00 C ATOM 1240 O LYS A 99 -11.974 -0.558 -12.100 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.645 2.274 -11.401 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.417 3.486 -10.921 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.899 3.345 -10.986 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.557 4.567 -10.350 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.983 5.857 -10.834 1.00 0.00 N ATOM 0 H LYS A 99 -11.921 2.124 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.838 0.682 -10.634 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.586 2.527 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.961 2.034 -12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.130 3.698 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.121 4.349 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.220 3.245 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.212 2.439 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.626 4.549 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.446 4.510 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.642 6.632 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.075 6.033 -10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.831 5.805 -11.862 1.00 0.00 H new ATOM 1259 N SER A 100 -10.907 -0.364 -10.128 1.00 0.00 N ATOM 1260 CA SER A 100 -9.951 -1.403 -10.406 1.00 0.00 C ATOM 1261 C SER A 100 -10.609 -2.766 -10.124 1.00 0.00 C ATOM 1262 O SER A 100 -11.833 -2.818 -9.841 1.00 0.00 O ATOM 1263 CB SER A 100 -8.693 -1.189 -9.550 1.00 0.00 C ATOM 1264 OG SER A 100 -8.127 0.103 -9.795 1.00 0.00 O ATOM 0 H SER A 100 -10.785 0.083 -9.219 1.00 0.00 H new ATOM 0 HA SER A 100 -9.645 -1.376 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.945 -1.287 -8.494 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.958 -1.962 -9.775 1.00 0.00 H new ATOM 0 HG SER A 100 -8.735 0.795 -9.460 1.00 0.00 H new ATOM 1270 N GLY A 101 -9.831 -3.845 -10.217 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.345 -5.191 -10.021 1.00 0.00 C ATOM 1272 C GLY A 101 -11.146 -5.353 -8.755 1.00 0.00 C ATOM 1273 O GLY A 101 -12.356 -5.574 -8.805 1.00 0.00 O ATOM 0 H GLY A 101 -8.834 -3.806 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.969 -5.460 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.510 -5.891 -10.004 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.492 -5.230 -7.640 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.138 -5.355 -6.364 1.00 0.00 C ATOM 1279 C PHE A 102 -11.186 -4.026 -5.661 1.00 0.00 C ATOM 1280 O PHE A 102 -10.324 -3.187 -5.889 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.467 -6.422 -5.503 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.005 -6.206 -5.191 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.035 -6.522 -6.117 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.605 -5.733 -3.952 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -6.704 -6.372 -5.824 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.269 -5.577 -3.660 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.321 -5.898 -4.595 1.00 0.00 C ATOM 0 H PHE A 102 -9.491 -5.039 -7.587 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.164 -5.680 -6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.011 -6.494 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.571 -7.383 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.327 -6.893 -7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.348 -5.484 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.957 -6.627 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.968 -5.201 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.273 -5.778 -4.365 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.203 -3.813 -4.849 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.288 -2.569 -4.095 1.00 0.00 C ATOM 1299 C LYS A 103 -12.123 -2.864 -2.597 1.00 0.00 C ATOM 1300 O LYS A 103 -11.947 -1.964 -1.786 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.630 -1.814 -4.353 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.803 -2.201 -3.437 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.273 -3.637 -3.592 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.195 -3.995 -2.443 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.775 -5.345 -2.569 1.00 0.00 N ATOM 0 H LYS A 103 -12.970 -4.468 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.483 -1.917 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.449 -0.744 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.929 -1.986 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.508 -2.038 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.641 -1.534 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.794 -3.760 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.417 -4.311 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.642 -3.929 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.001 -3.263 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.396 -5.533 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.328 -5.405 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.011 -6.050 -2.592 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.193 -4.135 -2.254 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.118 -4.539 -0.886 1.00 0.00 C ATOM 1321 C GLY A 104 -10.860 -5.290 -0.613 1.00 0.00 C ATOM 1322 O GLY A 104 -10.639 -6.361 -1.169 1.00 0.00 O ATOM 0 H GLY A 104 -12.302 -4.902 -2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.167 -3.661 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.977 -5.163 -0.641 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.032 -4.742 0.220 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.792 -5.368 0.558 1.00 0.00 C ATOM 1328 C ILE A 105 -8.999 -6.149 1.836 1.00 0.00 C ATOM 1329 O ILE A 105 -9.345 -5.579 2.872 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.724 -4.270 0.778 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.615 -3.430 -0.481 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.382 -4.886 1.109 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.843 -2.154 -0.301 1.00 0.00 C ATOM 0 H ILE A 105 -10.196 -3.849 0.685 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.460 -6.036 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.023 -3.642 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.138 -4.024 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.618 -3.189 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.646 -4.096 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.469 -5.480 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.063 -5.527 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.811 -1.612 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.330 -1.538 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.827 -2.385 0.019 1.00 0.00 H new ATOM 1345 N SER A 106 -8.881 -7.445 1.738 1.00 0.00 N ATOM 1346 CA SER A 106 -9.008 -8.304 2.874 1.00 0.00 C ATOM 1347 C SER A 106 -7.668 -8.478 3.621 1.00 0.00 C ATOM 1348 O SER A 106 -7.650 -8.826 4.795 1.00 0.00 O ATOM 1349 CB SER A 106 -9.663 -9.615 2.490 1.00 0.00 C ATOM 1350 OG SER A 106 -10.337 -10.222 3.584 1.00 0.00 O ATOM 0 H SER A 106 -8.693 -7.933 0.862 1.00 0.00 H new ATOM 0 HA SER A 106 -9.674 -7.824 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 106 -10.372 -9.441 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.905 -10.299 2.108 1.00 0.00 H new ATOM 0 HG SER A 106 -10.876 -10.974 3.260 1.00 0.00 H new ATOM 1356 N SER A 107 -6.552 -8.296 2.914 1.00 0.00 N ATOM 1357 CA SER A 107 -5.234 -8.386 3.537 1.00 0.00 C ATOM 1358 C SER A 107 -4.213 -7.525 2.766 1.00 0.00 C ATOM 1359 O SER A 107 -4.400 -7.261 1.574 1.00 0.00 O ATOM 1360 CB SER A 107 -4.772 -9.859 3.660 1.00 0.00 C ATOM 1361 OG SER A 107 -4.628 -10.509 2.413 1.00 0.00 O ATOM 0 H SER A 107 -6.535 -8.087 1.916 1.00 0.00 H new ATOM 0 HA SER A 107 -5.303 -7.990 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.820 -9.890 4.190 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.492 -10.408 4.266 1.00 0.00 H new ATOM 0 HG SER A 107 -5.498 -10.553 1.964 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.153 -7.092 3.440 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.151 -6.195 2.856 1.00 0.00 C ATOM 1369 C ILE A 108 -0.771 -6.728 3.170 1.00 0.00 C ATOM 1370 O ILE A 108 -0.484 -7.031 4.322 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.237 -4.755 3.455 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.636 -4.179 3.305 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.203 -3.829 2.820 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.761 -2.786 3.844 1.00 0.00 C ATOM 0 H ILE A 108 -2.960 -7.351 4.408 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.340 -6.149 1.783 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.015 -4.830 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.911 -4.180 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.346 -4.826 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.288 -2.834 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.203 -4.221 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.379 -3.769 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.783 -2.433 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.516 -2.783 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.075 -2.127 3.312 1.00 0.00 H new ATOM 1386 N LYS A 109 0.087 -6.794 2.187 1.00 0.00 N ATOM 1387 CA LYS A 109 1.430 -7.288 2.395 1.00 0.00 C ATOM 1388 C LYS A 109 2.396 -6.165 2.110 1.00 0.00 C ATOM 1389 O LYS A 109 2.327 -5.532 1.059 1.00 0.00 O ATOM 1390 CB LYS A 109 1.753 -8.471 1.463 1.00 0.00 C ATOM 1391 CG LYS A 109 3.109 -9.125 1.747 1.00 0.00 C ATOM 1392 CD LYS A 109 3.551 -10.090 0.643 1.00 0.00 C ATOM 1393 CE LYS A 109 2.579 -11.234 0.413 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.032 -12.146 -0.666 1.00 0.00 N ATOM 0 H LYS A 109 -0.118 -6.511 1.229 1.00 0.00 H new ATOM 0 HA LYS A 109 1.516 -7.637 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.970 -9.223 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.736 -8.124 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.863 -8.347 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.055 -9.664 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.672 -9.534 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.528 -10.500 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.460 -11.799 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.599 -10.830 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.338 -12.911 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.121 -11.614 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.955 -12.553 -0.412 1.00 0.00 H new ATOM 1408 N ARG A 110 3.265 -5.904 3.032 1.00 0.00 N ATOM 1409 CA ARG A 110 4.240 -4.873 2.859 1.00 0.00 C ATOM 1410 C ARG A 110 5.534 -5.494 2.345 1.00 0.00 C ATOM 1411 O ARG A 110 6.032 -6.494 2.894 1.00 0.00 O ATOM 1412 CB ARG A 110 4.484 -4.168 4.192 1.00 0.00 C ATOM 1413 CG ARG A 110 5.389 -2.952 4.133 1.00 0.00 C ATOM 1414 CD ARG A 110 5.755 -2.500 5.543 1.00 0.00 C ATOM 1415 NE ARG A 110 6.530 -3.534 6.229 1.00 0.00 N ATOM 1416 CZ ARG A 110 6.685 -3.687 7.549 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.050 -2.898 8.422 1.00 0.00 N ATOM 1418 NH2 ARG A 110 7.458 -4.664 7.985 1.00 0.00 N ATOM 0 H ARG A 110 3.320 -6.396 3.924 1.00 0.00 H new ATOM 0 HA ARG A 110 3.881 -4.139 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.522 -3.863 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.915 -4.886 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.293 -3.189 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.889 -2.142 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.332 -1.576 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.849 -2.282 6.108 1.00 0.00 H new ATOM 0 HE ARG A 110 7.005 -4.214 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.431 -2.160 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.184 -3.034 9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.922 -5.283 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.591 -4.800 8.987 1.00 0.00 H new ATOM 1432 N CYS A 111 6.046 -4.942 1.303 1.00 0.00 N ATOM 1433 CA CYS A 111 7.262 -5.376 0.709 1.00 0.00 C ATOM 1434 C CYS A 111 8.195 -4.195 0.616 1.00 0.00 C ATOM 1435 O CYS A 111 7.817 -3.054 0.934 1.00 0.00 O ATOM 1436 CB CYS A 111 6.983 -5.940 -0.682 1.00 0.00 C ATOM 1437 SG CYS A 111 5.810 -7.340 -0.719 1.00 0.00 S ATOM 0 H CYS A 111 5.617 -4.150 0.824 1.00 0.00 H new ATOM 0 HA CYS A 111 7.719 -6.159 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.593 -5.140 -1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.926 -6.262 -1.124 1.00 0.00 H new ATOM 1442 N ILE A 112 9.394 -4.450 0.246 1.00 0.00 N ATOM 1443 CA ILE A 112 10.360 -3.418 0.052 1.00 0.00 C ATOM 1444 C ILE A 112 10.982 -3.566 -1.305 1.00 0.00 C ATOM 1445 O ILE A 112 11.191 -4.670 -1.773 1.00 0.00 O ATOM 1446 CB ILE A 112 11.463 -3.432 1.125 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.948 -4.859 1.363 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.973 -2.793 2.421 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.266 -4.934 2.065 1.00 0.00 C ATOM 0 H ILE A 112 9.744 -5.391 0.065 1.00 0.00 H new ATOM 0 HA ILE A 112 9.839 -2.464 0.134 1.00 0.00 H new ATOM 0 HB ILE A 112 12.304 -2.839 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.202 -5.394 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.027 -5.372 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.772 -2.816 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.684 -1.759 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.113 -3.347 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.547 -5.978 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.025 -4.428 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.188 -4.451 3.039 1.00 0.00 H new ATOM 1461 N GLN A 113 11.252 -2.480 -1.921 1.00 0.00 N ATOM 1462 CA GLN A 113 11.859 -2.466 -3.205 1.00 0.00 C ATOM 1463 C GLN A 113 13.177 -1.790 -3.050 1.00 0.00 C ATOM 1464 O GLN A 113 13.253 -0.633 -2.620 1.00 0.00 O ATOM 1465 CB GLN A 113 10.982 -1.761 -4.229 1.00 0.00 C ATOM 1466 CG GLN A 113 11.484 -1.907 -5.654 1.00 0.00 C ATOM 1467 CD GLN A 113 10.521 -1.346 -6.667 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.796 -0.379 -6.400 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.477 -1.955 -7.813 1.00 0.00 N ATOM 0 H GLN A 113 11.055 -1.553 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 113 11.992 -3.481 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.970 -2.160 -4.166 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.924 -0.702 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.444 -1.400 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.657 -2.962 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.092 -2.749 -7.993 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.827 -1.640 -8.533 1.00 0.00 H new ATOM 1478 N THR A 114 14.198 -2.500 -3.353 1.00 0.00 N ATOM 1479 CA THR A 114 15.518 -2.051 -3.098 1.00 0.00 C ATOM 1480 C THR A 114 16.002 -1.103 -4.194 1.00 0.00 C ATOM 1481 O THR A 114 15.271 -0.803 -5.157 1.00 0.00 O ATOM 1482 CB THR A 114 16.463 -3.267 -3.005 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.607 -3.869 -4.296 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.886 -4.316 -2.064 1.00 0.00 C ATOM 0 H THR A 114 14.143 -3.420 -3.790 1.00 0.00 H new ATOM 0 HA THR A 114 15.520 -1.505 -2.155 1.00 0.00 H new ATOM 0 HB THR A 114 17.427 -2.920 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.805 -3.692 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.564 -5.168 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.763 -3.885 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.917 -4.647 -2.438 1.00 0.00 H new ATOM 1492 N LYS A 115 17.223 -0.633 -4.040 1.00 0.00 N ATOM 1493 CA LYS A 115 17.884 0.173 -5.037 1.00 0.00 C ATOM 1494 C LYS A 115 18.122 -0.656 -6.296 1.00 0.00 C ATOM 1495 O LYS A 115 18.182 -0.135 -7.407 1.00 0.00 O ATOM 1496 CB LYS A 115 19.197 0.675 -4.471 1.00 0.00 C ATOM 1497 CG LYS A 115 20.015 1.483 -5.449 1.00 0.00 C ATOM 1498 CD LYS A 115 21.234 2.034 -4.791 1.00 0.00 C ATOM 1499 CE LYS A 115 20.920 3.200 -3.858 1.00 0.00 C ATOM 1500 NZ LYS A 115 20.401 4.380 -4.591 1.00 0.00 N ATOM 0 H LYS A 115 17.788 -0.804 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 115 17.260 1.026 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.993 1.286 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.787 -0.178 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.303 0.857 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.412 2.298 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.726 1.243 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 115 21.937 2.364 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.186 2.883 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.822 3.480 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.473 5.223 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.960 4.525 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.405 4.220 -4.846 1.00 0.00 H new ATOM 1514 N ASP A 116 18.195 -1.961 -6.109 1.00 0.00 N ATOM 1515 CA ASP A 116 18.418 -2.897 -7.201 1.00 0.00 C ATOM 1516 C ASP A 116 17.095 -3.168 -7.945 1.00 0.00 C ATOM 1517 O ASP A 116 17.063 -3.787 -9.015 1.00 0.00 O ATOM 1518 CB ASP A 116 19.015 -4.194 -6.633 1.00 0.00 C ATOM 1519 CG ASP A 116 19.234 -5.290 -7.652 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.581 -6.345 -7.548 1.00 0.00 O ATOM 1521 OD2 ASP A 116 20.083 -5.136 -8.544 1.00 0.00 O ATOM 0 H ASP A 116 18.102 -2.405 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 116 19.120 -2.473 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.969 -3.962 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.354 -4.570 -5.852 1.00 0.00 H new ATOM 1526 N GLY A 117 16.010 -2.660 -7.387 1.00 0.00 N ATOM 1527 CA GLY A 117 14.713 -2.762 -8.018 1.00 0.00 C ATOM 1528 C GLY A 117 13.931 -3.985 -7.608 1.00 0.00 C ATOM 1529 O GLY A 117 12.737 -4.085 -7.913 1.00 0.00 O ATOM 0 H GLY A 117 16.006 -2.170 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.131 -1.872 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.845 -2.773 -9.100 1.00 0.00 H new ATOM 1533 N LYS A 118 14.574 -4.902 -6.902 1.00 0.00 N ATOM 1534 CA LYS A 118 13.908 -6.121 -6.493 1.00 0.00 C ATOM 1535 C LYS A 118 12.927 -5.814 -5.370 1.00 0.00 C ATOM 1536 O LYS A 118 13.214 -4.980 -4.493 1.00 0.00 O ATOM 1537 CB LYS A 118 14.911 -7.213 -6.043 1.00 0.00 C ATOM 1538 CG LYS A 118 15.647 -6.917 -4.743 1.00 0.00 C ATOM 1539 CD LYS A 118 16.576 -8.052 -4.301 1.00 0.00 C ATOM 1540 CE LYS A 118 15.853 -9.390 -4.198 1.00 0.00 C ATOM 1541 NZ LYS A 118 16.632 -10.387 -3.427 1.00 0.00 N ATOM 0 H LYS A 118 15.547 -4.824 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 118 13.372 -6.514 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.373 -8.155 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.647 -7.357 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.231 -6.005 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.918 -6.726 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.399 -8.141 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.014 -7.804 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.883 -9.242 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 118 15.661 -9.776 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.330 -11.346 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.645 -10.273 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.469 -10.244 -2.410 1.00 0.00 H new ATOM 1555 N VAL A 119 11.782 -6.433 -5.411 1.00 0.00 N ATOM 1556 CA VAL A 119 10.808 -6.253 -4.376 1.00 0.00 C ATOM 1557 C VAL A 119 10.840 -7.482 -3.483 1.00 0.00 C ATOM 1558 O VAL A 119 10.503 -8.576 -3.921 1.00 0.00 O ATOM 1559 CB VAL A 119 9.368 -6.055 -4.941 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.400 -5.674 -3.834 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.340 -5.002 -6.034 1.00 0.00 C ATOM 0 H VAL A 119 11.500 -7.071 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 119 11.057 -5.349 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 119 9.057 -7.006 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.402 -5.541 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.376 -6.464 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.726 -4.743 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.321 -4.890 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.686 -4.050 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.992 -5.309 -6.852 1.00 0.00 H new ATOM 1571 N GLU A 120 11.279 -7.309 -2.269 1.00 0.00 N ATOM 1572 CA GLU A 120 11.371 -8.399 -1.326 1.00 0.00 C ATOM 1573 C GLU A 120 10.151 -8.369 -0.433 1.00 0.00 C ATOM 1574 O GLU A 120 9.726 -7.289 -0.004 1.00 0.00 O ATOM 1575 CB GLU A 120 12.658 -8.305 -0.502 1.00 0.00 C ATOM 1576 CG GLU A 120 13.901 -8.147 -1.362 1.00 0.00 C ATOM 1577 CD GLU A 120 15.188 -8.400 -0.621 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.636 -7.538 0.161 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.795 -9.484 -0.827 1.00 0.00 O ATOM 0 H GLU A 120 11.585 -6.409 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 120 11.405 -9.346 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.585 -7.459 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.758 -9.201 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.837 -8.834 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.921 -7.138 -1.773 1.00 0.00 H new ATOM 1586 N CYS A 121 9.591 -9.516 -0.159 1.00 0.00 N ATOM 1587 CA CYS A 121 8.349 -9.589 0.579 1.00 0.00 C ATOM 1588 C CYS A 121 8.420 -10.583 1.734 1.00 0.00 C ATOM 1589 O CYS A 121 9.174 -11.563 1.687 1.00 0.00 O ATOM 1590 CB CYS A 121 7.208 -9.990 -0.359 1.00 0.00 C ATOM 1591 SG CYS A 121 6.826 -8.799 -1.690 1.00 0.00 S ATOM 0 H CYS A 121 9.974 -10.420 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 121 8.166 -8.600 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.456 -10.949 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.308 -10.143 0.237 1.00 0.00 H new