USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 56 THR OG1 : rot -135:sc= -3.23! USER MOD Set 1.2: A 77 LYS NZ :NH3+ 156:sc= -1.87 (180deg=-2.45) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -130:sc= -1.99 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.0277 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 31 HIS : no HD1:sc= -4.04! C(o=-4!,f=-5.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -101:sc= -3.56! USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= -0.442 (180deg=-0.484) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.549) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.0133 (180deg=-0.483) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.52) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -11.6! C(o=-12!,f=-23!) USER MOD Single : A 87 GLN : amide:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.503 -10.215 4.526 1.00 0.00 N ATOM 100 CA VAL A 7 -2.337 -9.640 3.162 1.00 0.00 C ATOM 101 C VAL A 7 -3.127 -8.340 3.070 1.00 0.00 C ATOM 102 O VAL A 7 -2.580 -7.260 3.064 1.00 0.00 O ATOM 103 CB VAL A 7 -2.918 -10.674 2.188 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.712 -10.200 0.755 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.217 -12.017 2.348 1.00 0.00 C ATOM 0 HA VAL A 7 -1.293 -9.426 2.933 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.980 -10.787 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.125 -10.936 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.217 -9.245 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.646 -10.080 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.644 -12.736 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.153 -11.899 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.352 -12.379 3.367 1.00 0.00 H new ATOM 115 N ILE A 8 -4.416 -8.440 3.002 1.00 0.00 N ATOM 116 CA ILE A 8 -5.247 -7.219 2.903 1.00 0.00 C ATOM 117 C ILE A 8 -6.034 -7.016 4.202 1.00 0.00 C ATOM 118 O ILE A 8 -7.243 -7.134 4.233 1.00 0.00 O ATOM 119 CB ILE A 8 -6.179 -7.505 1.733 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.382 -8.108 0.576 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.821 -6.199 1.260 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.264 -8.169 -0.670 1.00 0.00 C ATOM 0 H ILE A 8 -4.934 -9.319 3.011 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.664 -6.310 2.752 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.951 -8.204 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.495 -7.506 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.036 -9.108 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.488 -6.404 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.390 -5.756 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.043 -5.505 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.697 -8.599 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.137 -8.789 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.587 -7.163 -0.936 1.00 0.00 H new ATOM 134 N LEU A 9 -5.352 -6.718 5.274 1.00 0.00 N ATOM 135 CA LEU A 9 -6.048 -6.515 6.577 1.00 0.00 C ATOM 136 C LEU A 9 -7.156 -5.462 6.443 1.00 0.00 C ATOM 137 O LEU A 9 -8.272 -5.768 6.074 1.00 0.00 O ATOM 138 CB LEU A 9 -4.958 -6.033 7.535 1.00 0.00 C ATOM 139 CG LEU A 9 -4.099 -7.222 7.972 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.662 -6.754 8.207 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.661 -7.807 9.269 1.00 0.00 C ATOM 0 H LEU A 9 -4.339 -6.606 5.304 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.530 -7.427 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.337 -5.282 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.409 -5.557 8.406 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.111 -7.984 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.050 -7.601 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.260 -6.335 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.650 -5.992 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.050 -8.654 9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.649 -7.044 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.686 -8.140 9.104 1.00 0.00 H new ATOM 153 N ALA A 10 -6.861 -4.226 6.749 1.00 0.00 N ATOM 154 CA ALA A 10 -7.904 -3.165 6.648 1.00 0.00 C ATOM 155 C ALA A 10 -7.753 -2.384 5.341 1.00 0.00 C ATOM 156 O ALA A 10 -6.663 -2.243 4.822 1.00 0.00 O ATOM 157 CB ALA A 10 -7.653 -2.248 7.844 1.00 0.00 C ATOM 0 H ALA A 10 -5.945 -3.906 7.064 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.911 -3.583 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.383 -1.438 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.749 -2.820 8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.648 -1.831 7.778 1.00 0.00 H new ATOM 163 N PRO A 11 -8.862 -1.894 4.859 1.00 0.00 N ATOM 164 CA PRO A 11 -8.867 -1.107 3.605 1.00 0.00 C ATOM 165 C PRO A 11 -8.309 0.296 3.857 1.00 0.00 C ATOM 166 O PRO A 11 -8.240 0.754 4.980 1.00 0.00 O ATOM 167 CB PRO A 11 -10.344 -1.044 3.227 1.00 0.00 C ATOM 168 CG PRO A 11 -11.084 -1.218 4.515 1.00 0.00 C ATOM 169 CD PRO A 11 -10.205 -2.029 5.434 1.00 0.00 C ATOM 0 HA PRO A 11 -8.250 -1.545 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.590 -0.092 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.602 -1.828 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.314 -0.250 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.034 -1.725 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.241 -1.651 6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.520 -3.072 5.469 1.00 0.00 H new ATOM 177 N VAL A 12 -7.913 0.981 2.821 1.00 0.00 N ATOM 178 CA VAL A 12 -7.360 2.357 3.002 1.00 0.00 C ATOM 179 C VAL A 12 -8.276 3.383 2.329 1.00 0.00 C ATOM 180 O VAL A 12 -8.372 3.447 1.120 1.00 0.00 O ATOM 181 CB VAL A 12 -5.981 2.334 2.331 1.00 0.00 C ATOM 182 CG1 VAL A 12 -6.050 1.534 1.031 1.00 0.00 C ATOM 183 CG2 VAL A 12 -5.534 3.766 2.020 1.00 0.00 C ATOM 0 H VAL A 12 -7.947 0.650 1.857 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.287 2.637 4.053 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.265 1.867 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.068 1.521 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.361 0.512 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.770 1.997 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.554 3.746 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.254 4.234 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.475 4.338 2.946 1.00 0.00 H new ATOM 193 N LEU A 13 -8.951 4.186 3.105 1.00 0.00 N ATOM 194 CA LEU A 13 -9.858 5.206 2.511 1.00 0.00 C ATOM 195 C LEU A 13 -9.196 6.586 2.543 1.00 0.00 C ATOM 196 O LEU A 13 -9.074 7.205 3.581 1.00 0.00 O ATOM 197 CB LEU A 13 -11.105 5.188 3.397 1.00 0.00 C ATOM 198 CG LEU A 13 -11.790 3.822 3.297 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.849 3.377 1.833 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.996 2.794 4.108 1.00 0.00 C ATOM 0 H LEU A 13 -8.913 4.179 4.124 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.094 4.993 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.831 5.393 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.794 5.974 3.088 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.803 3.898 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.337 2.405 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.414 4.107 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.837 3.302 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.482 1.821 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.983 2.723 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.957 3.106 5.152 1.00 0.00 H new ATOM 212 N SER A 14 -8.767 7.073 1.410 1.00 0.00 N ATOM 213 CA SER A 14 -8.114 8.412 1.374 1.00 0.00 C ATOM 214 C SER A 14 -8.607 9.210 0.163 1.00 0.00 C ATOM 215 O SER A 14 -9.342 8.709 -0.664 1.00 0.00 O ATOM 216 CB SER A 14 -6.620 8.120 1.249 1.00 0.00 C ATOM 217 OG SER A 14 -6.318 6.915 1.941 1.00 0.00 O ATOM 0 H SER A 14 -8.841 6.601 0.509 1.00 0.00 H new ATOM 0 HA SER A 14 -8.342 9.006 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.342 8.030 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.040 8.945 1.662 1.00 0.00 H new ATOM 0 HG SER A 14 -5.360 6.723 1.862 1.00 0.00 H new ATOM 223 N GLU A 15 -8.207 10.447 0.054 1.00 0.00 N ATOM 224 CA GLU A 15 -8.654 11.276 -1.102 1.00 0.00 C ATOM 225 C GLU A 15 -8.296 10.584 -2.420 1.00 0.00 C ATOM 226 O GLU A 15 -9.159 10.186 -3.178 1.00 0.00 O ATOM 227 CB GLU A 15 -7.891 12.592 -0.962 1.00 0.00 C ATOM 228 CG GLU A 15 -8.165 13.197 0.416 1.00 0.00 C ATOM 229 CD GLU A 15 -6.839 13.509 1.112 1.00 0.00 C ATOM 230 OE1 GLU A 15 -5.914 12.728 0.957 1.00 0.00 O ATOM 231 OE2 GLU A 15 -6.771 14.522 1.788 1.00 0.00 O ATOM 0 H GLU A 15 -7.590 10.920 0.715 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.733 11.429 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.822 12.420 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.198 13.287 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.757 14.107 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.750 12.503 1.020 1.00 0.00 H new ATOM 238 N LYS A 16 -7.030 10.441 -2.703 1.00 0.00 N ATOM 239 CA LYS A 16 -6.619 9.781 -3.971 1.00 0.00 C ATOM 240 C LYS A 16 -7.266 8.398 -4.084 1.00 0.00 C ATOM 241 O LYS A 16 -7.616 7.952 -5.160 1.00 0.00 O ATOM 242 CB LYS A 16 -5.097 9.654 -3.877 1.00 0.00 C ATOM 243 CG LYS A 16 -4.565 8.959 -5.132 1.00 0.00 C ATOM 244 CD LYS A 16 -3.035 8.991 -5.125 1.00 0.00 C ATOM 245 CE LYS A 16 -2.499 8.027 -6.186 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.040 7.923 -5.908 1.00 0.00 N ATOM 0 H LYS A 16 -6.262 10.754 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.928 10.348 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.645 10.640 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.823 9.084 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.917 7.928 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.945 9.456 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.681 10.002 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.659 8.711 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.985 7.054 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.684 8.404 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.601 7.278 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.603 8.864 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.895 7.555 -4.946 1.00 0.00 H new ATOM 260 N ALA A 17 -7.431 7.716 -2.984 1.00 0.00 N ATOM 261 CA ALA A 17 -8.057 6.364 -3.031 1.00 0.00 C ATOM 262 C ALA A 17 -9.554 6.486 -3.323 1.00 0.00 C ATOM 263 O ALA A 17 -10.083 5.822 -4.193 1.00 0.00 O ATOM 264 CB ALA A 17 -7.830 5.771 -1.639 1.00 0.00 C ATOM 0 H ALA A 17 -7.159 8.036 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.629 5.739 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.264 4.772 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.760 5.711 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.304 6.407 -0.891 1.00 0.00 H new ATOM 270 N TYR A 18 -10.242 7.327 -2.603 1.00 0.00 N ATOM 271 CA TYR A 18 -11.706 7.487 -2.837 1.00 0.00 C ATOM 272 C TYR A 18 -11.972 7.905 -4.285 1.00 0.00 C ATOM 273 O TYR A 18 -12.987 7.568 -4.863 1.00 0.00 O ATOM 274 CB TYR A 18 -12.146 8.590 -1.874 1.00 0.00 C ATOM 275 CG TYR A 18 -12.636 7.969 -0.589 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.462 6.840 -0.628 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.263 8.522 0.642 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.915 6.262 0.564 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.716 7.945 1.834 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.543 6.816 1.795 1.00 0.00 C ATOM 281 OH TYR A 18 -13.989 6.248 2.971 1.00 0.00 O ATOM 0 H TYR A 18 -9.855 7.911 -1.862 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.251 6.558 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.313 9.264 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.937 9.188 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.750 6.414 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.626 9.394 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.551 5.390 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.428 8.371 2.784 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.372 6.943 3.545 1.00 0.00 H new ATOM 291 N ALA A 19 -11.072 8.638 -4.877 1.00 0.00 N ATOM 292 CA ALA A 19 -11.278 9.075 -6.286 1.00 0.00 C ATOM 293 C ALA A 19 -10.679 8.047 -7.251 1.00 0.00 C ATOM 294 O ALA A 19 -10.872 8.116 -8.448 1.00 0.00 O ATOM 295 CB ALA A 19 -10.546 10.412 -6.400 1.00 0.00 C ATOM 0 H ALA A 19 -10.203 8.954 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.334 9.169 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.652 10.800 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.974 11.123 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.489 10.269 -6.175 1.00 0.00 H new ATOM 301 N GLY A 20 -9.962 7.089 -6.733 1.00 0.00 N ATOM 302 CA GLY A 20 -9.352 6.045 -7.605 1.00 0.00 C ATOM 303 C GLY A 20 -10.112 4.743 -7.399 1.00 0.00 C ATOM 304 O GLY A 20 -10.314 3.970 -8.314 1.00 0.00 O ATOM 0 H GLY A 20 -9.771 6.983 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.398 6.350 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.299 5.912 -7.358 1.00 0.00 H new ATOM 308 N PHE A 21 -10.547 4.505 -6.196 1.00 0.00 N ATOM 309 CA PHE A 21 -11.311 3.265 -5.911 1.00 0.00 C ATOM 310 C PHE A 21 -12.738 3.419 -6.451 1.00 0.00 C ATOM 311 O PHE A 21 -13.470 2.461 -6.602 1.00 0.00 O ATOM 312 CB PHE A 21 -11.282 3.150 -4.375 1.00 0.00 C ATOM 313 CG PHE A 21 -12.598 3.594 -3.773 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.108 4.862 -4.069 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.305 2.734 -2.925 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.325 5.272 -3.516 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.523 3.144 -2.373 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.035 4.414 -2.669 1.00 0.00 C ATOM 0 H PHE A 21 -10.405 5.120 -5.395 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.899 2.372 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.076 2.119 -4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.471 3.760 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.562 5.524 -4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.911 1.755 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.717 6.252 -3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.069 2.481 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.976 4.730 -2.244 1.00 0.00 H new ATOM 328 N ALA A 22 -13.128 4.631 -6.727 1.00 0.00 N ATOM 329 CA ALA A 22 -14.497 4.888 -7.239 1.00 0.00 C ATOM 330 C ALA A 22 -14.738 4.130 -8.548 1.00 0.00 C ATOM 331 O ALA A 22 -15.861 3.901 -8.950 1.00 0.00 O ATOM 332 CB ALA A 22 -14.544 6.396 -7.478 1.00 0.00 C ATOM 0 H ALA A 22 -12.548 5.463 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.266 4.554 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.527 6.674 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.358 6.919 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.781 6.673 -8.206 1.00 0.00 H new ATOM 338 N GLU A 23 -13.687 3.746 -9.215 1.00 0.00 N ATOM 339 CA GLU A 23 -13.839 3.009 -10.502 1.00 0.00 C ATOM 340 C GLU A 23 -13.924 1.502 -10.248 1.00 0.00 C ATOM 341 O GLU A 23 -13.720 0.701 -11.139 1.00 0.00 O ATOM 342 CB GLU A 23 -12.570 3.341 -11.287 1.00 0.00 C ATOM 343 CG GLU A 23 -12.936 3.702 -12.727 1.00 0.00 C ATOM 344 CD GLU A 23 -12.354 5.075 -13.072 1.00 0.00 C ATOM 345 OE1 GLU A 23 -12.079 5.828 -12.153 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.196 5.350 -14.250 1.00 0.00 O ATOM 0 H GLU A 23 -12.724 3.911 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.746 3.292 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.046 4.172 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.891 2.489 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.548 2.948 -13.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.019 3.714 -12.846 1.00 0.00 H new ATOM 353 N GLY A 24 -14.201 1.108 -9.039 1.00 0.00 N ATOM 354 CA GLY A 24 -14.272 -0.337 -8.726 1.00 0.00 C ATOM 355 C GLY A 24 -12.910 -0.791 -8.196 1.00 0.00 C ATOM 356 O GLY A 24 -12.709 -1.939 -7.854 1.00 0.00 O ATOM 0 H GLY A 24 -14.382 1.731 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.048 -0.525 -7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.539 -0.904 -9.618 1.00 0.00 H new ATOM 360 N LYS A 25 -11.975 0.119 -8.121 1.00 0.00 N ATOM 361 CA LYS A 25 -10.617 -0.219 -7.611 1.00 0.00 C ATOM 362 C LYS A 25 -10.628 -0.194 -6.082 1.00 0.00 C ATOM 363 O LYS A 25 -11.290 0.623 -5.478 1.00 0.00 O ATOM 364 CB LYS A 25 -9.719 0.896 -8.155 1.00 0.00 C ATOM 365 CG LYS A 25 -9.444 0.658 -9.640 1.00 0.00 C ATOM 366 CD LYS A 25 -8.512 1.750 -10.170 1.00 0.00 C ATOM 367 CE LYS A 25 -7.449 1.121 -11.073 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.109 2.182 -12.062 1.00 0.00 N ATOM 0 H LYS A 25 -12.098 1.094 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.278 -1.208 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.200 1.864 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.781 0.923 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.991 -0.323 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.380 0.662 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.084 2.492 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.036 2.271 -9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.572 0.819 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.829 0.227 -11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.385 1.826 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.962 2.444 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.743 3.018 -11.563 1.00 0.00 H new ATOM 382 N TYR A 26 -9.921 -1.080 -5.442 1.00 0.00 N ATOM 383 CA TYR A 26 -9.924 -1.070 -3.952 1.00 0.00 C ATOM 384 C TYR A 26 -8.501 -1.061 -3.392 1.00 0.00 C ATOM 385 O TYR A 26 -7.777 -2.033 -3.475 1.00 0.00 O ATOM 386 CB TYR A 26 -10.678 -2.331 -3.546 1.00 0.00 C ATOM 387 CG TYR A 26 -12.133 -2.172 -3.914 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.811 -0.994 -3.578 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.804 -3.197 -4.592 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.160 -0.841 -3.917 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.153 -3.042 -4.932 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.831 -1.865 -4.595 1.00 0.00 C ATOM 393 OH TYR A 26 -16.161 -1.714 -4.930 1.00 0.00 O ATOM 0 H TYR A 26 -9.348 -1.803 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.398 -0.173 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.255 -3.201 -4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.577 -2.502 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.292 -0.203 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.282 -4.106 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.683 0.067 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.671 -3.832 -5.455 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.286 -1.930 -5.878 1.00 0.00 H new ATOM 403 N THR A 27 -8.113 0.036 -2.803 1.00 0.00 N ATOM 404 CA THR A 27 -6.760 0.144 -2.209 1.00 0.00 C ATOM 405 C THR A 27 -6.763 -0.503 -0.831 1.00 0.00 C ATOM 406 O THR A 27 -7.631 -0.258 -0.017 1.00 0.00 O ATOM 407 CB THR A 27 -6.490 1.647 -2.108 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.985 2.293 -3.273 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.986 1.891 -1.987 1.00 0.00 C ATOM 0 H THR A 27 -8.689 0.873 -2.709 1.00 0.00 H new ATOM 0 HA THR A 27 -5.994 -0.358 -2.800 1.00 0.00 H new ATOM 0 HB THR A 27 -6.991 2.049 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.815 3.256 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.796 2.962 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.608 1.395 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.481 1.491 -2.866 1.00 0.00 H new ATOM 417 N PHE A 28 -5.811 -1.343 -0.573 1.00 0.00 N ATOM 418 CA PHE A 28 -5.766 -2.030 0.743 1.00 0.00 C ATOM 419 C PHE A 28 -4.426 -1.797 1.425 1.00 0.00 C ATOM 420 O PHE A 28 -3.462 -1.422 0.801 1.00 0.00 O ATOM 421 CB PHE A 28 -5.906 -3.510 0.414 1.00 0.00 C ATOM 422 CG PHE A 28 -7.246 -3.780 -0.215 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.397 -3.163 0.285 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.335 -4.658 -1.299 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.641 -3.425 -0.301 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.577 -4.919 -1.887 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.730 -4.303 -1.387 1.00 0.00 C ATOM 0 H PHE A 28 -5.058 -1.586 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.544 -1.665 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.110 -3.816 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.796 -4.103 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.326 -2.485 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.445 -5.135 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.531 -2.950 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.646 -5.595 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.689 -4.505 -1.840 1.00 0.00 H new ATOM 437 N TRP A 29 -4.349 -2.079 2.691 1.00 0.00 N ATOM 438 CA TRP A 29 -3.059 -1.946 3.405 1.00 0.00 C ATOM 439 C TRP A 29 -2.539 -3.360 3.559 1.00 0.00 C ATOM 440 O TRP A 29 -3.229 -4.222 4.067 1.00 0.00 O ATOM 441 CB TRP A 29 -3.393 -1.322 4.759 1.00 0.00 C ATOM 442 CG TRP A 29 -3.373 0.169 4.639 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.313 1.001 5.144 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.385 1.019 3.985 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.966 2.306 4.842 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.785 2.369 4.130 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.191 0.754 3.288 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.030 3.417 3.601 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.427 1.807 2.756 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.846 3.136 2.913 1.00 0.00 C ATOM 0 H TRP A 29 -5.130 -2.398 3.264 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.313 -1.332 2.900 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.375 -1.657 5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.672 -1.647 5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.191 0.696 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.516 3.122 5.112 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.860 -0.266 3.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.358 4.439 3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.488 1.591 2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.255 3.941 2.503 1.00 0.00 H new ATOM 461 N VAL A 30 -1.380 -3.647 3.068 1.00 0.00 N ATOM 462 CA VAL A 30 -0.924 -5.046 3.142 1.00 0.00 C ATOM 463 C VAL A 30 0.553 -5.155 3.495 1.00 0.00 C ATOM 464 O VAL A 30 1.318 -4.220 3.374 1.00 0.00 O ATOM 465 CB VAL A 30 -1.210 -5.560 1.739 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.652 -4.587 0.700 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.579 -6.918 1.543 1.00 0.00 C ATOM 0 H VAL A 30 -0.739 -2.988 2.626 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.424 -5.617 3.925 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.290 -5.643 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.862 -4.964 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.121 -3.611 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.426 -4.491 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.791 -7.275 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.499 -6.842 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.990 -7.618 2.270 1.00 0.00 H new ATOM 477 N HIS A 31 0.943 -6.312 3.940 1.00 0.00 N ATOM 478 CA HIS A 31 2.362 -6.542 4.327 1.00 0.00 C ATOM 479 C HIS A 31 3.240 -6.650 3.080 1.00 0.00 C ATOM 480 O HIS A 31 2.792 -7.087 2.040 1.00 0.00 O ATOM 481 CB HIS A 31 2.344 -7.869 5.084 1.00 0.00 C ATOM 482 CG HIS A 31 3.312 -7.807 6.234 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.181 -8.847 6.525 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.559 -6.837 7.173 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.904 -8.482 7.599 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.565 -7.265 8.034 1.00 0.00 N ATOM 0 H HIS A 31 0.332 -7.121 4.054 1.00 0.00 H new ATOM 0 HA HIS A 31 2.767 -5.728 4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.339 -8.076 5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.612 -8.685 4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.050 -5.886 7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.666 -9.098 8.054 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.959 -6.758 8.827 1.00 0.00 H new ATOM 494 N PRO A 32 4.473 -6.253 3.233 1.00 0.00 N ATOM 495 CA PRO A 32 5.435 -6.310 2.106 1.00 0.00 C ATOM 496 C PRO A 32 5.781 -7.764 1.797 1.00 0.00 C ATOM 497 O PRO A 32 6.890 -8.211 2.004 1.00 0.00 O ATOM 498 CB PRO A 32 6.648 -5.558 2.635 1.00 0.00 C ATOM 499 CG PRO A 32 6.552 -5.670 4.122 1.00 0.00 C ATOM 500 CD PRO A 32 5.086 -5.724 4.456 1.00 0.00 C ATOM 0 HA PRO A 32 5.052 -5.880 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.576 -5.995 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.637 -4.516 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.063 -6.565 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.028 -4.818 4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.893 -6.370 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.695 -4.738 4.706 1.00 0.00 H new ATOM 508 N LYS A 33 4.826 -8.506 1.317 1.00 0.00 N ATOM 509 CA LYS A 33 5.074 -9.940 1.006 1.00 0.00 C ATOM 510 C LYS A 33 3.796 -10.574 0.463 1.00 0.00 C ATOM 511 O LYS A 33 3.832 -11.429 -0.399 1.00 0.00 O ATOM 512 CB LYS A 33 5.465 -10.577 2.342 1.00 0.00 C ATOM 513 CG LYS A 33 4.563 -10.040 3.460 1.00 0.00 C ATOM 514 CD LYS A 33 3.801 -11.200 4.105 1.00 0.00 C ATOM 515 CE LYS A 33 2.848 -11.821 3.080 1.00 0.00 C ATOM 516 NZ LYS A 33 2.292 -13.028 3.754 1.00 0.00 N ATOM 0 H LYS A 33 3.879 -8.180 1.125 1.00 0.00 H new ATOM 0 HA LYS A 33 5.850 -10.077 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.374 -11.661 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.509 -10.358 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.163 -9.524 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.861 -9.310 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.502 -11.952 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.240 -10.844 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.057 -11.124 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.373 -12.088 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.629 -13.509 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.067 -13.676 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.792 -12.743 4.620 1.00 0.00 H new ATOM 530 N ALA A 34 2.661 -10.155 0.958 1.00 0.00 N ATOM 531 CA ALA A 34 1.380 -10.727 0.464 1.00 0.00 C ATOM 532 C ALA A 34 1.425 -10.825 -1.064 1.00 0.00 C ATOM 533 O ALA A 34 1.152 -9.868 -1.761 1.00 0.00 O ATOM 534 CB ALA A 34 0.309 -9.732 0.906 1.00 0.00 C ATOM 0 H ALA A 34 2.569 -9.442 1.682 1.00 0.00 H new ATOM 0 HA ALA A 34 1.185 -11.727 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.670 -10.082 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.319 -9.645 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.513 -8.757 0.462 1.00 0.00 H new ATOM 540 N THR A 35 1.784 -11.967 -1.584 1.00 0.00 N ATOM 541 CA THR A 35 1.869 -12.129 -3.068 1.00 0.00 C ATOM 542 C THR A 35 0.737 -11.373 -3.767 1.00 0.00 C ATOM 543 O THR A 35 -0.418 -11.497 -3.412 1.00 0.00 O ATOM 544 CB THR A 35 1.734 -13.634 -3.307 1.00 0.00 C ATOM 545 OG1 THR A 35 1.042 -14.225 -2.216 1.00 0.00 O ATOM 546 CG2 THR A 35 3.126 -14.256 -3.431 1.00 0.00 C ATOM 0 H THR A 35 2.023 -12.799 -1.045 1.00 0.00 H new ATOM 0 HA THR A 35 2.800 -11.728 -3.467 1.00 0.00 H new ATOM 0 HB THR A 35 1.176 -13.810 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.685 -14.659 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.031 -15.328 -3.601 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.655 -13.801 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.685 -14.083 -2.512 1.00 0.00 H new ATOM 554 N LYS A 36 1.061 -10.593 -4.765 1.00 0.00 N ATOM 555 CA LYS A 36 0.004 -9.832 -5.492 1.00 0.00 C ATOM 556 C LYS A 36 -1.207 -10.735 -5.730 1.00 0.00 C ATOM 557 O LYS A 36 -2.339 -10.336 -5.543 1.00 0.00 O ATOM 558 CB LYS A 36 0.644 -9.424 -6.819 1.00 0.00 C ATOM 559 CG LYS A 36 0.810 -7.903 -6.858 1.00 0.00 C ATOM 560 CD LYS A 36 0.330 -7.371 -8.210 1.00 0.00 C ATOM 561 CE LYS A 36 0.216 -5.845 -8.148 1.00 0.00 C ATOM 562 NZ LYS A 36 0.351 -5.393 -9.561 1.00 0.00 N ATOM 0 H LYS A 36 2.011 -10.451 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.345 -8.964 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.613 -9.909 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.023 -9.754 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.239 -7.444 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.855 -7.637 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.027 -7.662 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.636 -7.808 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.740 -5.537 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.996 -5.416 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.385 -4.354 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.226 -5.780 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.465 -5.729 -10.112 1.00 0.00 H new ATOM 576 N THR A 37 -0.975 -11.956 -6.128 1.00 0.00 N ATOM 577 CA THR A 37 -2.113 -12.886 -6.361 1.00 0.00 C ATOM 578 C THR A 37 -2.878 -13.098 -5.055 1.00 0.00 C ATOM 579 O THR A 37 -4.091 -13.066 -5.020 1.00 0.00 O ATOM 580 CB THR A 37 -1.477 -14.185 -6.818 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.434 -13.908 -7.744 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.533 -15.070 -7.477 1.00 0.00 C ATOM 0 H THR A 37 -0.049 -12.348 -6.301 1.00 0.00 H new ATOM 0 HA THR A 37 -2.821 -12.503 -7.096 1.00 0.00 H new ATOM 0 HB THR A 37 -1.061 -14.706 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.024 -14.749 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.073 -16.003 -7.804 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.324 -15.288 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.956 -14.552 -8.338 1.00 0.00 H new ATOM 590 N GLU A 38 -2.172 -13.305 -3.977 1.00 0.00 N ATOM 591 CA GLU A 38 -2.854 -13.509 -2.668 1.00 0.00 C ATOM 592 C GLU A 38 -3.778 -12.326 -2.387 1.00 0.00 C ATOM 593 O GLU A 38 -4.876 -12.486 -1.891 1.00 0.00 O ATOM 594 CB GLU A 38 -1.729 -13.574 -1.635 1.00 0.00 C ATOM 595 CG GLU A 38 -1.311 -15.030 -1.423 1.00 0.00 C ATOM 596 CD GLU A 38 -2.524 -15.850 -0.982 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.979 -15.647 0.132 1.00 0.00 O ATOM 598 OE2 GLU A 38 -2.977 -16.670 -1.763 1.00 0.00 O ATOM 0 H GLU A 38 -1.153 -13.342 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.465 -14.411 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.876 -12.986 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.062 -13.140 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.898 -15.439 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.526 -15.088 -0.669 1.00 0.00 H new ATOM 605 N ILE A 39 -3.352 -11.138 -2.722 1.00 0.00 N ATOM 606 CA ILE A 39 -4.220 -9.951 -2.493 1.00 0.00 C ATOM 607 C ILE A 39 -5.540 -10.168 -3.231 1.00 0.00 C ATOM 608 O ILE A 39 -6.590 -9.719 -2.814 1.00 0.00 O ATOM 609 CB ILE A 39 -3.440 -8.771 -3.082 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.308 -8.389 -2.124 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.367 -7.567 -3.275 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.200 -7.671 -2.899 1.00 0.00 C ATOM 0 H ILE A 39 -2.444 -10.940 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.455 -9.777 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.030 -9.061 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.690 -7.743 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.909 -9.282 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.801 -6.735 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.175 -7.835 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.786 -7.272 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.395 -7.400 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.811 -8.332 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.604 -6.770 -3.360 1.00 0.00 H new ATOM 624 N LYS A 40 -5.490 -10.877 -4.322 1.00 0.00 N ATOM 625 CA LYS A 40 -6.730 -11.156 -5.092 1.00 0.00 C ATOM 626 C LYS A 40 -7.639 -12.080 -4.282 1.00 0.00 C ATOM 627 O LYS A 40 -8.826 -11.855 -4.154 1.00 0.00 O ATOM 628 CB LYS A 40 -6.244 -11.872 -6.353 1.00 0.00 C ATOM 629 CG LYS A 40 -7.383 -11.953 -7.367 1.00 0.00 C ATOM 630 CD LYS A 40 -6.916 -12.728 -8.601 1.00 0.00 C ATOM 631 CE LYS A 40 -7.978 -12.631 -9.698 1.00 0.00 C ATOM 632 NZ LYS A 40 -9.135 -13.415 -9.185 1.00 0.00 N ATOM 0 H LYS A 40 -4.638 -11.277 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.298 -10.254 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.397 -11.337 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.894 -12.874 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.247 -12.446 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.701 -10.950 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.969 -12.324 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.740 -13.772 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.257 -11.594 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.611 -13.039 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.751 -13.684 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.789 -14.273 -8.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.674 -12.837 -8.509 1.00 0.00 H new ATOM 646 N ASN A 41 -7.080 -13.125 -3.741 1.00 0.00 N ATOM 647 CA ASN A 41 -7.887 -14.088 -2.942 1.00 0.00 C ATOM 648 C ASN A 41 -8.262 -13.502 -1.575 1.00 0.00 C ATOM 649 O ASN A 41 -9.319 -13.784 -1.049 1.00 0.00 O ATOM 650 CB ASN A 41 -6.982 -15.308 -2.769 1.00 0.00 C ATOM 651 CG ASN A 41 -6.952 -16.111 -4.071 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.905 -16.786 -4.406 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.888 -16.066 -4.826 1.00 0.00 N ATOM 0 H ASN A 41 -6.089 -13.355 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.827 -14.332 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.974 -14.991 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.347 -15.932 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.857 -16.597 -5.696 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.087 -15.500 -4.546 1.00 0.00 H new ATOM 660 N ALA A 42 -7.410 -12.707 -0.980 1.00 0.00 N ATOM 661 CA ALA A 42 -7.755 -12.150 0.361 1.00 0.00 C ATOM 662 C ALA A 42 -9.062 -11.359 0.291 1.00 0.00 C ATOM 663 O ALA A 42 -9.967 -11.582 1.070 1.00 0.00 O ATOM 664 CB ALA A 42 -6.576 -11.253 0.774 1.00 0.00 C ATOM 0 H ALA A 42 -6.506 -12.423 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.911 -12.940 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.776 -10.817 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.665 -11.849 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.451 -10.456 0.041 1.00 0.00 H new ATOM 670 N VAL A 43 -9.187 -10.454 -0.636 1.00 0.00 N ATOM 671 CA VAL A 43 -10.467 -9.691 -0.730 1.00 0.00 C ATOM 672 C VAL A 43 -11.585 -10.630 -1.184 1.00 0.00 C ATOM 673 O VAL A 43 -12.721 -10.496 -0.782 1.00 0.00 O ATOM 674 CB VAL A 43 -10.230 -8.581 -1.754 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.410 -7.471 -1.106 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.480 -9.132 -2.967 1.00 0.00 C ATOM 0 H VAL A 43 -8.474 -10.210 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.765 -9.268 0.229 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.191 -8.187 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.237 -6.676 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.953 -7.070 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.453 -7.873 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.318 -8.332 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.518 -9.534 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.069 -9.924 -3.430 1.00 0.00 H new ATOM 686 N GLU A 44 -11.268 -11.598 -1.999 1.00 0.00 N ATOM 687 CA GLU A 44 -12.315 -12.557 -2.446 1.00 0.00 C ATOM 688 C GLU A 44 -12.740 -13.405 -1.246 1.00 0.00 C ATOM 689 O GLU A 44 -13.908 -13.659 -1.028 1.00 0.00 O ATOM 690 CB GLU A 44 -11.640 -13.422 -3.511 1.00 0.00 C ATOM 691 CG GLU A 44 -12.201 -13.065 -4.890 1.00 0.00 C ATOM 692 CD GLU A 44 -13.470 -13.879 -5.152 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.324 -13.905 -4.282 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.565 -14.464 -6.219 1.00 0.00 O ATOM 0 H GLU A 44 -10.334 -11.765 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.204 -12.069 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.562 -13.264 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.811 -14.478 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.424 -11.999 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.458 -13.271 -5.661 1.00 0.00 H new ATOM 701 N THR A 45 -11.790 -13.826 -0.457 1.00 0.00 N ATOM 702 CA THR A 45 -12.110 -14.639 0.749 1.00 0.00 C ATOM 703 C THR A 45 -12.590 -13.715 1.877 1.00 0.00 C ATOM 704 O THR A 45 -13.116 -14.160 2.878 1.00 0.00 O ATOM 705 CB THR A 45 -10.793 -15.341 1.096 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.803 -16.650 0.548 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.600 -15.431 2.614 1.00 0.00 C ATOM 0 H THR A 45 -10.797 -13.639 -0.598 1.00 0.00 H new ATOM 0 HA THR A 45 -12.909 -15.363 0.590 1.00 0.00 H new ATOM 0 HB THR A 45 -9.971 -14.761 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.961 -17.102 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.658 -15.934 2.832 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.583 -14.427 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.422 -15.996 3.052 1.00 0.00 H new ATOM 715 N ALA A 46 -12.402 -12.431 1.721 1.00 0.00 N ATOM 716 CA ALA A 46 -12.837 -11.475 2.781 1.00 0.00 C ATOM 717 C ALA A 46 -14.024 -10.635 2.298 1.00 0.00 C ATOM 718 O ALA A 46 -15.101 -10.687 2.859 1.00 0.00 O ATOM 719 CB ALA A 46 -11.620 -10.586 3.034 1.00 0.00 C ATOM 0 H ALA A 46 -11.966 -12.003 0.905 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.166 -11.989 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.859 -9.853 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.783 -11.201 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.349 -10.070 2.113 1.00 0.00 H new ATOM 725 N PHE A 47 -13.840 -9.855 1.263 1.00 0.00 N ATOM 726 CA PHE A 47 -14.964 -9.013 0.759 1.00 0.00 C ATOM 727 C PHE A 47 -16.016 -9.894 0.076 1.00 0.00 C ATOM 728 O PHE A 47 -17.168 -9.524 -0.045 1.00 0.00 O ATOM 729 CB PHE A 47 -14.326 -8.061 -0.252 1.00 0.00 C ATOM 730 CG PHE A 47 -13.630 -6.939 0.480 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.347 -6.140 1.380 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.269 -6.697 0.260 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.702 -5.099 2.059 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.624 -5.656 0.939 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.341 -4.857 1.838 1.00 0.00 C ATOM 0 H PHE A 47 -12.964 -9.766 0.748 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.469 -8.475 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.612 -8.600 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.088 -7.657 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.397 -6.327 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.716 -7.313 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.254 -4.483 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.574 -5.469 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.844 -4.054 2.361 1.00 0.00 H new ATOM 745 N LYS A 48 -15.627 -11.057 -0.367 1.00 0.00 N ATOM 746 CA LYS A 48 -16.593 -11.970 -1.040 1.00 0.00 C ATOM 747 C LYS A 48 -17.062 -11.357 -2.355 1.00 0.00 C ATOM 748 O LYS A 48 -18.238 -11.324 -2.658 1.00 0.00 O ATOM 749 CB LYS A 48 -17.760 -12.115 -0.062 1.00 0.00 C ATOM 750 CG LYS A 48 -17.832 -13.560 0.437 1.00 0.00 C ATOM 751 CD LYS A 48 -19.210 -14.144 0.117 1.00 0.00 C ATOM 752 CE LYS A 48 -20.288 -13.332 0.840 1.00 0.00 C ATOM 753 NZ LYS A 48 -21.555 -14.080 0.601 1.00 0.00 N ATOM 0 H LYS A 48 -14.675 -11.416 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.150 -12.936 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.630 -11.435 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.695 -11.841 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.053 -14.158 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.652 -13.594 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.385 -14.124 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.256 -15.188 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.073 -13.249 1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.348 -12.317 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.343 -13.586 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.737 -14.137 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -21.470 -15.040 0.991 1.00 0.00 H new ATOM 767 N VAL A 49 -16.144 -10.865 -3.132 1.00 0.00 N ATOM 768 CA VAL A 49 -16.513 -10.244 -4.423 1.00 0.00 C ATOM 769 C VAL A 49 -15.740 -10.898 -5.570 1.00 0.00 C ATOM 770 O VAL A 49 -15.150 -11.950 -5.419 1.00 0.00 O ATOM 771 CB VAL A 49 -16.115 -8.777 -4.258 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.639 -8.569 -4.620 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.984 -7.930 -5.165 1.00 0.00 C ATOM 0 H VAL A 49 -15.145 -10.868 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.570 -10.361 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.257 -8.485 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.378 -7.518 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.015 -9.178 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.474 -8.863 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.709 -6.881 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.838 -8.238 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.031 -8.061 -4.892 1.00 0.00 H new ATOM 783 N LYS A 50 -15.727 -10.270 -6.709 1.00 0.00 N ATOM 784 CA LYS A 50 -14.979 -10.838 -7.866 1.00 0.00 C ATOM 785 C LYS A 50 -13.876 -9.871 -8.293 1.00 0.00 C ATOM 786 O LYS A 50 -14.134 -8.835 -8.872 1.00 0.00 O ATOM 787 CB LYS A 50 -16.009 -11.005 -8.981 1.00 0.00 C ATOM 788 CG LYS A 50 -15.568 -12.145 -9.902 1.00 0.00 C ATOM 789 CD LYS A 50 -14.576 -11.610 -10.936 1.00 0.00 C ATOM 790 CE LYS A 50 -14.111 -12.755 -11.837 1.00 0.00 C ATOM 791 NZ LYS A 50 -15.273 -13.045 -12.722 1.00 0.00 N ATOM 0 H LYS A 50 -16.202 -9.386 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.502 -11.787 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.990 -11.221 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.104 -10.079 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.107 -12.941 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.434 -12.578 -10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.044 -10.829 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.721 -11.157 -10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.234 -12.469 -12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.833 -13.631 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.932 -13.401 -13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.879 -13.762 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.821 -12.174 -12.872 1.00 0.00 H new ATOM 805 N VAL A 51 -12.649 -10.197 -8.004 1.00 0.00 N ATOM 806 CA VAL A 51 -11.530 -9.293 -8.385 1.00 0.00 C ATOM 807 C VAL A 51 -11.194 -9.451 -9.867 1.00 0.00 C ATOM 808 O VAL A 51 -11.188 -10.542 -10.401 1.00 0.00 O ATOM 809 CB VAL A 51 -10.352 -9.743 -7.527 1.00 0.00 C ATOM 810 CG1 VAL A 51 -9.064 -9.115 -8.062 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.575 -9.294 -6.083 1.00 0.00 C ATOM 0 H VAL A 51 -12.372 -11.051 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.781 -8.244 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.269 -10.829 -7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.221 -9.436 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.905 -9.432 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.146 -8.029 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.734 -9.615 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.656 -8.208 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.494 -9.739 -5.701 1.00 0.00 H new ATOM 821 N VAL A 52 -10.902 -8.369 -10.533 1.00 0.00 N ATOM 822 CA VAL A 52 -10.553 -8.459 -11.976 1.00 0.00 C ATOM 823 C VAL A 52 -9.130 -7.942 -12.201 1.00 0.00 C ATOM 824 O VAL A 52 -8.587 -8.037 -13.283 1.00 0.00 O ATOM 825 CB VAL A 52 -11.585 -7.589 -12.695 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.428 -6.128 -12.294 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.394 -7.713 -14.201 1.00 0.00 C ATOM 0 H VAL A 52 -10.890 -7.428 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.574 -9.483 -12.350 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.581 -7.930 -12.413 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.171 -5.525 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.571 -6.029 -11.218 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.429 -5.783 -12.560 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.130 -7.093 -14.713 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.391 -7.382 -14.469 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.525 -8.753 -14.500 1.00 0.00 H new ATOM 837 N LYS A 53 -8.519 -7.404 -11.180 1.00 0.00 N ATOM 838 CA LYS A 53 -7.127 -6.890 -11.329 1.00 0.00 C ATOM 839 C LYS A 53 -6.625 -6.327 -9.989 1.00 0.00 C ATOM 840 O LYS A 53 -7.301 -5.552 -9.342 1.00 0.00 O ATOM 841 CB LYS A 53 -7.228 -5.796 -12.406 1.00 0.00 C ATOM 842 CG LYS A 53 -7.348 -4.417 -11.762 1.00 0.00 C ATOM 843 CD LYS A 53 -7.809 -3.399 -12.807 1.00 0.00 C ATOM 844 CE LYS A 53 -6.610 -2.962 -13.655 1.00 0.00 C ATOM 845 NZ LYS A 53 -6.797 -3.645 -14.965 1.00 0.00 N ATOM 0 H LYS A 53 -8.923 -7.298 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.416 -7.665 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.348 -5.828 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.093 -5.983 -13.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.058 -4.451 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.387 -4.115 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.578 -3.837 -13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.256 -2.534 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.585 -1.879 -13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.669 -3.253 -13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.014 -3.395 -15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.811 -4.675 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.698 -3.343 -15.389 1.00 0.00 H new ATOM 859 N VAL A 54 -5.445 -6.700 -9.570 1.00 0.00 N ATOM 860 CA VAL A 54 -4.919 -6.164 -8.281 1.00 0.00 C ATOM 861 C VAL A 54 -3.612 -5.409 -8.520 1.00 0.00 C ATOM 862 O VAL A 54 -2.690 -5.915 -9.130 1.00 0.00 O ATOM 863 CB VAL A 54 -4.699 -7.393 -7.375 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.367 -7.282 -6.622 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.824 -7.460 -6.348 1.00 0.00 C ATOM 0 H VAL A 54 -4.827 -7.347 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.608 -5.457 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.686 -8.286 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.233 -8.159 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.548 -7.222 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.373 -6.385 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.677 -8.326 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.820 -6.553 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.781 -7.549 -6.862 1.00 0.00 H new ATOM 875 N ASN A 55 -3.519 -4.214 -8.021 1.00 0.00 N ATOM 876 CA ASN A 55 -2.267 -3.437 -8.192 1.00 0.00 C ATOM 877 C ASN A 55 -1.842 -2.860 -6.847 1.00 0.00 C ATOM 878 O ASN A 55 -2.523 -2.042 -6.265 1.00 0.00 O ATOM 879 CB ASN A 55 -2.614 -2.323 -9.179 1.00 0.00 C ATOM 880 CG ASN A 55 -2.122 -2.708 -10.576 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.980 -2.470 -10.918 1.00 0.00 O ATOM 882 ND2 ASN A 55 -2.941 -3.298 -11.403 1.00 0.00 N ATOM 0 H ASN A 55 -4.258 -3.740 -7.501 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.441 -4.046 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.691 -2.158 -9.194 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.153 -1.387 -8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.623 -3.559 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.899 -3.498 -11.116 1.00 0.00 H new ATOM 889 N THR A 56 -0.720 -3.280 -6.348 1.00 0.00 N ATOM 890 CA THR A 56 -0.255 -2.753 -5.038 1.00 0.00 C ATOM 891 C THR A 56 1.042 -1.969 -5.240 1.00 0.00 C ATOM 892 O THR A 56 1.724 -2.128 -6.233 1.00 0.00 O ATOM 893 CB THR A 56 -0.034 -3.972 -4.114 1.00 0.00 C ATOM 894 OG1 THR A 56 1.285 -3.929 -3.595 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.235 -5.292 -4.867 1.00 0.00 C ATOM 0 H THR A 56 -0.104 -3.964 -6.787 1.00 0.00 H new ATOM 0 HA THR A 56 -0.984 -2.076 -4.592 1.00 0.00 H new ATOM 0 HB THR A 56 -0.766 -3.925 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.689 -4.820 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.072 -6.128 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.251 -5.336 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.475 -5.352 -5.692 1.00 0.00 H new ATOM 903 N LEU A 57 1.381 -1.110 -4.321 1.00 0.00 N ATOM 904 CA LEU A 57 2.627 -0.305 -4.486 1.00 0.00 C ATOM 905 C LEU A 57 3.261 0.006 -3.130 1.00 0.00 C ATOM 906 O LEU A 57 2.578 0.236 -2.152 1.00 0.00 O ATOM 907 CB LEU A 57 2.168 0.992 -5.155 1.00 0.00 C ATOM 908 CG LEU A 57 0.898 1.500 -4.470 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.064 2.979 -4.117 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.292 1.334 -5.419 1.00 0.00 C ATOM 0 H LEU A 57 0.854 -0.929 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 57 3.377 -0.838 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.954 1.744 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.978 0.819 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 57 0.722 0.927 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.159 3.340 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.912 3.099 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.239 3.553 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.198 1.695 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.115 1.908 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.411 0.281 -5.672 1.00 0.00 H new ATOM 922 N HIS A 58 4.564 0.037 -3.070 1.00 0.00 N ATOM 923 CA HIS A 58 5.236 0.361 -1.783 1.00 0.00 C ATOM 924 C HIS A 58 5.026 1.843 -1.470 1.00 0.00 C ATOM 925 O HIS A 58 5.652 2.706 -2.052 1.00 0.00 O ATOM 926 CB HIS A 58 6.717 0.058 -2.012 1.00 0.00 C ATOM 927 CG HIS A 58 7.238 -0.784 -0.880 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.528 -1.291 -0.869 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.656 -1.216 0.287 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.679 -1.992 0.269 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.567 -1.979 1.011 1.00 0.00 N ATOM 0 H HIS A 58 5.189 -0.148 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 58 4.843 -0.212 -0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.850 -0.465 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.283 0.987 -2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.645 -0.997 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.588 -2.503 0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.418 -2.431 1.913 1.00 0.00 H new ATOM 939 N VAL A 59 4.140 2.142 -0.566 1.00 0.00 N ATOM 940 CA VAL A 59 3.872 3.565 -0.221 1.00 0.00 C ATOM 941 C VAL A 59 4.695 3.951 1.007 1.00 0.00 C ATOM 942 O VAL A 59 4.435 3.505 2.106 1.00 0.00 O ATOM 943 CB VAL A 59 2.361 3.666 0.081 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.801 4.903 -0.615 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.605 2.435 -0.439 1.00 0.00 C ATOM 0 H VAL A 59 3.586 1.460 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 59 4.147 4.239 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 59 2.231 3.728 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.734 4.985 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.311 5.792 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.957 4.817 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.544 2.536 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.738 2.355 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.995 1.538 0.042 1.00 0.00 H new ATOM 1245 N ARG A 76 4.457 1.716 4.257 1.00 0.00 N ATOM 1246 CA ARG A 76 3.595 0.521 4.022 1.00 0.00 C ATOM 1247 C ARG A 76 3.170 0.427 2.550 1.00 0.00 C ATOM 1248 O ARG A 76 3.089 1.417 1.850 1.00 0.00 O ATOM 1249 CB ARG A 76 2.378 0.752 4.921 1.00 0.00 C ATOM 1250 CG ARG A 76 1.206 -0.111 4.451 1.00 0.00 C ATOM 1251 CD ARG A 76 1.512 -1.583 4.731 1.00 0.00 C ATOM 1252 NE ARG A 76 0.558 -1.978 5.805 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.000 -2.565 6.884 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.992 -2.044 7.551 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.448 -3.674 7.295 1.00 0.00 N ATOM 0 HA ARG A 76 4.113 -0.412 4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.628 0.509 5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.096 1.805 4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.292 0.186 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.034 0.039 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.374 -2.192 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.545 -1.717 5.052 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.439 -1.790 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.423 -1.177 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.337 -2.503 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.328 -4.081 6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.793 -4.133 8.138 1.00 0.00 H new ATOM 1269 N LYS A 77 2.886 -0.763 2.084 1.00 0.00 N ATOM 1270 CA LYS A 77 2.450 -0.934 0.665 1.00 0.00 C ATOM 1271 C LYS A 77 0.922 -1.038 0.590 1.00 0.00 C ATOM 1272 O LYS A 77 0.289 -1.638 1.435 1.00 0.00 O ATOM 1273 CB LYS A 77 3.116 -2.228 0.191 1.00 0.00 C ATOM 1274 CG LYS A 77 2.645 -3.404 1.048 1.00 0.00 C ATOM 1275 CD LYS A 77 2.661 -4.684 0.208 1.00 0.00 C ATOM 1276 CE LYS A 77 1.806 -4.485 -1.043 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.248 -5.833 -1.345 1.00 0.00 N ATOM 0 H LYS A 77 2.937 -1.625 2.627 1.00 0.00 H new ATOM 0 HA LYS A 77 2.735 -0.088 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.872 -2.410 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.200 -2.133 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.293 -3.518 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.639 -3.215 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.684 -4.934 -0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.279 -5.520 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.012 -3.759 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.403 -4.109 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.372 -5.731 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.941 -6.381 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.041 -6.330 -0.455 1.00 0.00 H new ATOM 1291 N LYS A 78 0.325 -0.446 -0.409 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.162 -0.502 -0.528 1.00 0.00 C ATOM 1293 C LYS A 78 -1.573 -1.399 -1.702 1.00 0.00 C ATOM 1294 O LYS A 78 -0.843 -1.539 -2.660 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.600 0.944 -0.773 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.018 1.438 -2.098 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.723 2.731 -2.514 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.263 3.877 -1.610 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.878 5.101 -2.197 1.00 0.00 N ATOM 0 H LYS A 78 0.801 0.073 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.628 -0.921 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.688 1.006 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.262 1.581 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.053 1.612 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.144 0.678 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.497 2.962 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.804 2.608 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.591 3.725 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.176 3.952 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.608 5.931 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.542 5.224 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.913 5.004 -2.197 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.729 -2.017 -1.631 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.164 -2.911 -2.751 1.00 0.00 C ATOM 1315 C ALA A 79 -4.428 -2.401 -3.427 1.00 0.00 C ATOM 1316 O ALA A 79 -5.457 -2.249 -2.803 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.463 -4.253 -2.112 1.00 0.00 C ATOM 0 H ALA A 79 -3.385 -1.942 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.387 -2.961 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.788 -4.957 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.564 -4.634 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.253 -4.135 -1.370 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.367 -2.171 -4.707 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.573 -1.698 -5.433 1.00 0.00 C ATOM 1325 C ILE A 80 -6.181 -2.856 -6.217 1.00 0.00 C ATOM 1326 O ILE A 80 -5.598 -3.364 -7.151 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.078 -0.603 -6.373 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.804 0.671 -5.570 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.152 -0.316 -7.423 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.824 0.375 -4.434 1.00 0.00 C ATOM 0 H ILE A 80 -3.533 -2.291 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.345 -1.321 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.161 -0.930 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.394 1.441 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.737 1.062 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.802 0.466 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.355 -1.222 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.066 0.013 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.636 1.288 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.250 -0.380 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.886 0.005 -4.849 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.343 -3.285 -5.831 1.00 0.00 N ATOM 1343 CA VAL A 81 -7.985 -4.428 -6.538 1.00 0.00 C ATOM 1344 C VAL A 81 -9.245 -3.975 -7.272 1.00 0.00 C ATOM 1345 O VAL A 81 -10.123 -3.362 -6.697 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.346 -5.415 -5.429 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.857 -6.718 -6.046 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.104 -5.702 -4.582 1.00 0.00 C ATOM 0 H VAL A 81 -7.880 -2.896 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.327 -4.864 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.126 -4.985 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.114 -7.420 -5.253 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.741 -6.513 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.080 -7.151 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.359 -6.406 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.325 -6.131 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.743 -4.774 -4.140 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.357 -4.293 -8.533 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.574 -3.900 -9.282 1.00 0.00 C ATOM 1360 C GLN A 82 -11.509 -5.088 -9.345 1.00 0.00 C ATOM 1361 O GLN A 82 -11.080 -6.225 -9.318 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.107 -3.566 -10.695 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.184 -2.756 -11.412 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.719 -1.309 -11.586 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.535 -1.042 -11.643 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.607 -0.359 -11.677 1.00 0.00 N ATOM 0 H GLN A 82 -8.659 -4.806 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.089 -3.060 -8.815 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.177 -3.000 -10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.900 -4.483 -11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.396 -3.198 -12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.112 -2.783 -10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.601 -0.584 -11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.308 0.609 -11.796 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.771 -4.856 -9.463 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.684 -6.006 -9.574 1.00 0.00 C ATOM 1377 C VAL A 83 -14.363 -5.958 -10.929 1.00 0.00 C ATOM 1378 O VAL A 83 -14.469 -4.918 -11.549 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.706 -5.895 -8.445 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.026 -5.383 -7.175 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.828 -4.938 -8.851 1.00 0.00 C ATOM 0 H VAL A 83 -13.207 -3.934 -9.487 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.152 -6.954 -9.490 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.129 -6.881 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.761 -5.306 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.238 -6.076 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.593 -4.401 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.554 -4.864 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.410 -3.952 -9.055 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.322 -5.315 -9.747 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.819 -7.065 -11.395 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.486 -7.076 -12.714 1.00 0.00 C ATOM 1393 C ALA A 84 -16.824 -6.344 -12.629 1.00 0.00 C ATOM 1394 O ALA A 84 -17.216 -5.874 -11.580 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.695 -8.545 -13.022 1.00 0.00 C ATOM 0 H ALA A 84 -14.762 -7.968 -10.924 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.902 -6.575 -13.487 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.187 -8.648 -13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.730 -9.052 -13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.318 -8.994 -12.248 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.478 -6.278 -13.749 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.792 -5.603 -13.830 1.00 0.00 C ATOM 1403 C PRO A 85 -19.874 -6.458 -13.168 1.00 0.00 C ATOM 1404 O PRO A 85 -19.915 -7.662 -13.328 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.038 -5.477 -15.329 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.226 -6.559 -15.949 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.055 -6.826 -15.036 1.00 0.00 C ATOM 0 HA PRO A 85 -18.812 -4.641 -13.318 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.096 -5.593 -15.566 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.735 -4.497 -15.697 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.824 -7.461 -16.079 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.880 -6.260 -16.939 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.840 -7.892 -14.964 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.148 -6.341 -15.398 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.752 -5.843 -12.428 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.835 -6.615 -11.756 1.00 0.00 C ATOM 1417 C GLY A 86 -21.604 -6.631 -10.242 1.00 0.00 C ATOM 1418 O GLY A 86 -22.537 -6.699 -9.465 1.00 0.00 O ATOM 0 H GLY A 86 -20.767 -4.837 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.804 -6.169 -11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.858 -7.635 -12.140 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.372 -6.575 -9.813 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.096 -6.595 -8.346 1.00 0.00 C ATOM 1424 C GLN A 87 -19.548 -5.244 -7.880 1.00 0.00 C ATOM 1425 O GLN A 87 -19.329 -4.344 -8.667 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.045 -7.688 -8.147 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.934 -7.529 -9.186 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.116 -8.569 -10.296 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.164 -8.950 -10.946 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.305 -9.045 -10.542 1.00 0.00 N ATOM 0 H GLN A 87 -19.548 -6.517 -10.411 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.001 -6.786 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.628 -7.626 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.506 -8.671 -8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.958 -6.524 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.960 -7.653 -8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.105 -8.725 -9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -19.435 -9.737 -11.280 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.321 -5.102 -6.602 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.784 -3.816 -6.071 1.00 0.00 C ATOM 1441 C LYS A 88 -18.621 -3.904 -4.550 1.00 0.00 C ATOM 1442 O LYS A 88 -19.564 -3.726 -3.805 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.832 -2.766 -6.439 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.195 -3.187 -5.885 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.305 -2.564 -6.734 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.472 -3.365 -8.026 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.709 -2.827 -8.655 1.00 0.00 N ATOM 0 H LYS A 88 -19.485 -5.824 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.805 -3.573 -6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.547 -1.795 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.886 -2.655 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.283 -4.273 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.293 -2.867 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.242 -2.554 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.061 -1.527 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -21.610 -3.241 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -22.565 -4.431 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -23.890 -3.328 -9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.514 -2.965 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.588 -1.812 -8.846 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.433 -4.178 -4.081 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.219 -4.275 -2.608 1.00 0.00 C ATOM 1463 C ILE A 89 -17.910 -3.106 -1.898 1.00 0.00 C ATOM 1464 O ILE A 89 -17.368 -2.024 -1.788 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.702 -4.208 -2.416 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.040 -5.364 -3.173 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.369 -4.320 -0.928 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.569 -5.469 -2.764 1.00 0.00 C ATOM 0 H ILE A 89 -16.604 -4.338 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.636 -5.191 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.330 -3.259 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.556 -6.299 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.118 -5.201 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.289 -4.272 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.839 -3.499 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.741 -5.269 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.099 -6.292 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.057 -4.538 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.502 -5.653 -1.692 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.107 -3.318 -1.423 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.846 -2.225 -0.724 1.00 0.00 C ATOM 1482 C GLU A 90 -19.173 -1.884 0.609 1.00 0.00 C ATOM 1483 O GLU A 90 -19.461 -0.872 1.217 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.249 -2.787 -0.487 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.151 -4.079 0.326 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.113 -5.119 -0.250 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.307 -4.865 -0.236 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.641 -6.152 -0.695 1.00 0.00 O ATOM 0 H GLU A 90 -19.608 -4.204 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.864 -1.305 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.860 -2.057 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.740 -2.981 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.130 -4.460 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.393 -3.883 1.371 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.285 -2.720 1.073 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.607 -2.438 2.371 1.00 0.00 C ATOM 1497 C ALA A 91 -16.950 -1.056 2.339 1.00 0.00 C ATOM 1498 O ALA A 91 -16.806 -0.403 3.354 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.548 -3.532 2.509 1.00 0.00 C ATOM 0 H ALA A 91 -18.000 -3.584 0.611 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.305 -2.436 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.003 -3.395 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.032 -4.509 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.853 -3.474 1.671 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.553 -0.601 1.181 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.911 0.745 1.088 1.00 0.00 C ATOM 1507 C LEU A 92 -16.890 1.734 0.461 1.00 0.00 C ATOM 1508 O LEU A 92 -16.782 2.931 0.637 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.684 0.580 0.175 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.194 -0.867 0.189 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.911 -0.983 -0.635 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.914 -1.290 1.633 1.00 0.00 C ATOM 0 H LEU A 92 -16.645 -1.101 0.297 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.626 1.121 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.940 0.873 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.885 1.243 0.507 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.958 -1.515 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.563 -2.016 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.110 -0.678 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.144 -0.337 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.564 -2.322 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.150 -0.641 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.829 -1.208 2.220 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.841 1.239 -0.280 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.823 2.145 -0.933 1.00 0.00 C ATOM 1526 C GLU A 93 -19.422 3.113 0.092 1.00 0.00 C ATOM 1527 O GLU A 93 -19.763 4.235 -0.224 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.903 1.222 -1.496 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.395 0.567 -2.782 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.048 1.652 -3.804 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -17.912 2.097 -3.801 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.922 2.017 -4.571 1.00 0.00 O ATOM 0 H GLU A 93 -17.980 0.245 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.363 2.756 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.161 0.457 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.812 1.789 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.516 -0.042 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.155 -0.100 -3.188 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.556 2.685 1.319 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.138 3.581 2.360 1.00 0.00 C ATOM 1541 C GLY A 94 -19.012 4.230 3.168 1.00 0.00 C ATOM 1542 O GLY A 94 -19.168 5.303 3.714 1.00 0.00 O ATOM 0 H GLY A 94 -19.288 1.756 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.752 4.350 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.791 3.011 3.021 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.879 3.587 3.250 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.747 4.170 4.027 1.00 0.00 C ATOM 1548 C LEU A 95 -16.612 5.664 3.725 1.00 0.00 C ATOM 1549 O LEU A 95 -16.117 6.427 4.532 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.508 3.414 3.549 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.034 2.463 4.648 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.222 1.649 5.166 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.976 1.515 4.082 1.00 0.00 C ATOM 0 H LEU A 95 -17.688 2.685 2.814 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.893 4.075 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.738 2.853 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.715 4.118 3.296 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.604 3.041 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.884 0.971 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.977 2.324 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.652 1.072 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.638 0.837 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.405 0.938 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.129 2.094 3.713 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.046 6.088 2.570 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.940 7.534 2.220 1.00 0.00 C ATOM 1567 C ILE A 96 -17.598 8.391 3.305 1.00 0.00 C ATOM 1568 O ILE A 96 -18.797 8.596 3.225 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.691 7.675 0.896 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.886 7.005 -0.220 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.875 9.158 0.570 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.824 6.616 -1.364 1.00 0.00 C ATOM 1573 OXT ILE A 96 -16.888 8.828 4.197 1.00 0.00 O ATOM 0 H ILE A 96 -17.469 5.497 1.854 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.905 7.865 2.140 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.667 7.197 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.114 7.683 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.378 6.121 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.410 9.259 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.447 9.637 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.899 9.636 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.250 6.139 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.580 5.922 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.311 7.509 -1.755 1.00 0.00 H new