USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot 180:sc= 0.0522 USER MOD Set 1.2: A 94 THR OG1 : rot -72:sc= 0.0529 USER MOD Set 2.1: A 68 SER OG : rot -122:sc= 0.077 USER MOD Set 2.2: A 71 THR OG1 : rot 62:sc= 1.18 USER MOD Single : A 13 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.76) USER MOD Single : A 17 SER OG : rot -74:sc= 0.37 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 21 HIS : no HD1:sc=-0.00929 K(o=-0.0093,f=-0.54) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 42 TYR OH : rot -153:sc= 0.371 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -30:sc= 0.00973 USER MOD Single : A 52 GLN : amide:sc=-0.00343 X(o=-0.0034,f=-0.0046) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 61 SER OG : rot 38:sc= 0.505 USER MOD Single : A 63 MET CE :methyl 159:sc= -6.55! (180deg=-9.19!) USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 SER OG : rot -53:sc= 0.048 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -153:sc= 0.498 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc=-0.00665 USER MOD Single : A 81 TYR OH : rot 70:sc= 0.241 USER MOD Single : A 87 SER OG : rot 140:sc= -0.0582 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -173:sc= 0.604 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -6.860 -11.587 -6.110 1.00 0.00 N ATOM 110 CA PRO A 11 -8.232 -11.325 -6.555 1.00 0.00 C ATOM 111 C PRO A 11 -8.293 -10.275 -7.659 1.00 0.00 C ATOM 112 O PRO A 11 -9.193 -10.296 -8.499 1.00 0.00 O ATOM 113 CB PRO A 11 -8.923 -10.811 -5.289 1.00 0.00 C ATOM 114 CG PRO A 11 -7.823 -10.241 -4.462 1.00 0.00 C ATOM 115 CD PRO A 11 -6.610 -11.083 -4.750 1.00 0.00 C ATOM 0 HA PRO A 11 -8.699 -12.213 -6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.672 -10.056 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.437 -11.616 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.643 -9.197 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.076 -10.270 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.693 -10.496 -4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.506 -11.897 -4.033 1.00 0.00 H new ATOM 123 N ARG A 12 -7.331 -9.359 -7.651 1.00 0.00 N ATOM 124 CA ARG A 12 -7.276 -8.300 -8.652 1.00 0.00 C ATOM 125 C ARG A 12 -5.887 -7.672 -8.703 1.00 0.00 C ATOM 126 O ARG A 12 -4.980 -8.084 -7.979 1.00 0.00 O ATOM 127 CB ARG A 12 -8.322 -7.226 -8.347 1.00 0.00 C ATOM 128 CG ARG A 12 -9.659 -7.467 -9.030 1.00 0.00 C ATOM 129 CD ARG A 12 -9.482 -7.774 -10.509 1.00 0.00 C ATOM 130 NE ARG A 12 -9.393 -9.209 -10.763 1.00 0.00 N ATOM 131 CZ ARG A 12 -8.785 -9.732 -11.822 1.00 0.00 C ATOM 132 NH1 ARG A 12 -8.216 -8.941 -12.721 1.00 0.00 N ATOM 133 NH2 ARG A 12 -8.746 -11.048 -11.984 1.00 0.00 N ATOM 0 H ARG A 12 -6.579 -9.328 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.492 -8.742 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.478 -7.178 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.935 -6.255 -8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.173 -8.297 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.292 -6.588 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.320 -7.358 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.580 -7.284 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.821 -9.845 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.244 -7.929 -12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.750 -9.345 -13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.183 -11.660 -11.295 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.279 -11.448 -12.798 1.00 0.00 H new ATOM 147 N HIS A 13 -5.726 -6.672 -9.565 1.00 0.00 N ATOM 148 CA HIS A 13 -4.447 -5.986 -9.711 1.00 0.00 C ATOM 149 C HIS A 13 -4.418 -4.708 -8.878 1.00 0.00 C ATOM 150 O HIS A 13 -5.456 -4.097 -8.621 1.00 0.00 O ATOM 151 CB HIS A 13 -4.186 -5.657 -11.181 1.00 0.00 C ATOM 152 CG HIS A 13 -4.717 -4.321 -11.599 1.00 0.00 C ATOM 153 ND1 HIS A 13 -6.063 -4.062 -11.757 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.077 -3.164 -11.890 1.00 0.00 C ATOM 155 CE1 HIS A 13 -6.226 -2.805 -12.129 1.00 0.00 C ATOM 156 NE2 HIS A 13 -5.036 -2.238 -12.217 1.00 0.00 N ATOM 0 H HIS A 13 -6.465 -6.319 -10.173 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.662 -6.651 -9.351 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.112 -5.686 -11.366 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.638 -6.429 -11.803 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.010 -3.000 -11.869 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.172 -2.323 -12.328 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.859 -1.270 -12.484 1.00 0.00 H new ATOM 165 N LEU A 14 -3.222 -4.310 -8.457 1.00 0.00 N ATOM 166 CA LEU A 14 -3.057 -3.104 -7.652 1.00 0.00 C ATOM 167 C LEU A 14 -2.651 -1.919 -8.522 1.00 0.00 C ATOM 168 O LEU A 14 -2.007 -2.088 -9.556 1.00 0.00 O ATOM 169 CB LEU A 14 -2.008 -3.335 -6.562 1.00 0.00 C ATOM 170 CG LEU A 14 -2.528 -3.897 -5.239 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.371 -4.343 -4.358 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.381 -2.864 -4.518 1.00 0.00 C ATOM 0 H LEU A 14 -2.353 -4.804 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.015 -2.875 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.252 -4.017 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.508 -2.388 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.150 -4.765 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.760 -4.740 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.800 -5.117 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.723 -3.492 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.742 -3.282 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.782 -1.976 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.231 -2.592 -5.145 1.00 0.00 H new ATOM 184 N GLY A 15 -3.032 -0.719 -8.094 1.00 0.00 N ATOM 185 CA GLY A 15 -2.697 0.477 -8.845 1.00 0.00 C ATOM 186 C GLY A 15 -2.152 1.582 -7.963 1.00 0.00 C ATOM 187 O GLY A 15 -2.446 1.635 -6.768 1.00 0.00 O ATOM 0 H GLY A 15 -3.566 -0.554 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.959 0.228 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.585 0.836 -9.365 1.00 0.00 H new ATOM 191 N PHE A 16 -1.353 2.466 -8.550 1.00 0.00 N ATOM 192 CA PHE A 16 -0.762 3.574 -7.808 1.00 0.00 C ATOM 193 C PHE A 16 -0.829 4.867 -8.617 1.00 0.00 C ATOM 194 O PHE A 16 -0.275 4.955 -9.713 1.00 0.00 O ATOM 195 CB PHE A 16 0.691 3.258 -7.449 1.00 0.00 C ATOM 196 CG PHE A 16 0.843 2.046 -6.575 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.801 2.162 -5.195 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.027 0.792 -7.133 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.940 1.048 -4.387 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.166 -0.325 -6.331 1.00 0.00 C ATOM 201 CZ PHE A 16 1.124 -0.196 -4.957 1.00 0.00 C ATOM 0 H PHE A 16 -1.099 2.437 -9.538 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.334 3.710 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.259 3.108 -8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.127 4.119 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.658 3.133 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.062 0.686 -8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.905 1.151 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.307 -1.298 -6.779 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.235 -1.067 -4.329 1.00 0.00 H new ATOM 211 N SER A 17 -1.511 5.867 -8.068 1.00 0.00 N ATOM 212 CA SER A 17 -1.654 7.153 -8.739 1.00 0.00 C ATOM 213 C SER A 17 -1.276 8.298 -7.804 1.00 0.00 C ATOM 214 O SER A 17 -1.338 8.163 -6.582 1.00 0.00 O ATOM 215 CB SER A 17 -3.090 7.337 -9.234 1.00 0.00 C ATOM 216 OG SER A 17 -3.201 8.479 -10.066 1.00 0.00 O ATOM 0 H SER A 17 -1.973 5.811 -7.160 1.00 0.00 H new ATOM 0 HA SER A 17 -0.978 7.166 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.404 6.450 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.762 7.438 -8.381 1.00 0.00 H new ATOM 0 HG SER A 17 -3.156 9.289 -9.517 1.00 0.00 H new ATOM 222 N ASP A 18 -0.884 9.425 -8.389 1.00 0.00 N ATOM 223 CA ASP A 18 -0.497 10.596 -7.610 1.00 0.00 C ATOM 224 C ASP A 18 0.658 10.264 -6.669 1.00 0.00 C ATOM 225 O ASP A 18 0.824 10.897 -5.626 1.00 0.00 O ATOM 226 CB ASP A 18 -1.689 11.120 -6.809 1.00 0.00 C ATOM 227 CG ASP A 18 -2.734 11.777 -7.689 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.055 11.209 -8.753 1.00 0.00 O ATOM 229 OD2 ASP A 18 -3.231 12.860 -7.313 1.00 0.00 O ATOM 0 H ASP A 18 -0.826 9.552 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.168 11.370 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.146 10.296 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.338 11.839 -6.069 1.00 0.00 H new ATOM 234 N VAL A 19 1.453 9.267 -7.045 1.00 0.00 N ATOM 235 CA VAL A 19 2.592 8.852 -6.235 1.00 0.00 C ATOM 236 C VAL A 19 3.533 10.021 -5.969 1.00 0.00 C ATOM 237 O VAL A 19 3.934 10.731 -6.892 1.00 0.00 O ATOM 238 CB VAL A 19 3.380 7.717 -6.916 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.626 7.376 -6.113 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.499 6.490 -7.096 1.00 0.00 C ATOM 0 H VAL A 19 1.329 8.732 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 19 2.192 8.490 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 19 3.695 8.058 -7.903 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.170 6.572 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.265 8.256 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.337 7.055 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.072 5.698 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.152 6.145 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.640 6.746 -7.717 1.00 0.00 H new ATOM 250 N SER A 20 3.883 10.215 -4.702 1.00 0.00 N ATOM 251 CA SER A 20 4.776 11.301 -4.313 1.00 0.00 C ATOM 252 C SER A 20 6.074 10.754 -3.727 1.00 0.00 C ATOM 253 O SER A 20 6.301 9.544 -3.713 1.00 0.00 O ATOM 254 CB SER A 20 4.089 12.216 -3.297 1.00 0.00 C ATOM 255 OG SER A 20 4.555 13.549 -3.413 1.00 0.00 O ATOM 0 H SER A 20 3.562 9.635 -3.927 1.00 0.00 H new ATOM 0 HA SER A 20 5.016 11.878 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.010 12.190 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.276 11.849 -2.288 1.00 0.00 H new ATOM 0 HG SER A 20 4.099 14.113 -2.754 1.00 0.00 H new ATOM 261 N HIS A 21 6.922 11.655 -3.242 1.00 0.00 N ATOM 262 CA HIS A 21 8.198 11.264 -2.653 1.00 0.00 C ATOM 263 C HIS A 21 8.052 11.021 -1.153 1.00 0.00 C ATOM 264 O HIS A 21 8.971 10.522 -0.503 1.00 0.00 O ATOM 265 CB HIS A 21 9.253 12.342 -2.906 1.00 0.00 C ATOM 266 CG HIS A 21 8.899 13.675 -2.323 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.179 14.630 -3.009 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.170 14.210 -1.109 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.023 15.695 -2.243 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.614 15.466 -1.085 1.00 0.00 N ATOM 0 H HIS A 21 6.749 12.660 -3.245 1.00 0.00 H new ATOM 0 HA HIS A 21 8.518 10.335 -3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.204 12.013 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.398 12.452 -3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.720 13.738 -0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.501 16.599 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.652 16.116 -0.300 1.00 0.00 H new ATOM 279 N ASP A 22 6.893 11.378 -0.611 1.00 0.00 N ATOM 280 CA ASP A 22 6.627 11.198 0.811 1.00 0.00 C ATOM 281 C ASP A 22 5.270 10.536 1.031 1.00 0.00 C ATOM 282 O ASP A 22 4.781 10.461 2.157 1.00 0.00 O ATOM 283 CB ASP A 22 6.675 12.545 1.535 1.00 0.00 C ATOM 284 CG ASP A 22 6.937 12.395 3.020 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.749 11.523 3.394 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.329 13.148 3.810 1.00 0.00 O ATOM 0 H ASP A 22 6.123 11.794 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 22 7.399 10.546 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.455 13.165 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.730 13.068 1.387 1.00 0.00 H new ATOM 291 N ALA A 23 4.668 10.058 -0.053 1.00 0.00 N ATOM 292 CA ALA A 23 3.369 9.402 0.021 1.00 0.00 C ATOM 293 C ALA A 23 3.033 8.699 -1.290 1.00 0.00 C ATOM 294 O ALA A 23 3.641 8.972 -2.325 1.00 0.00 O ATOM 295 CB ALA A 23 2.287 10.412 0.373 1.00 0.00 C ATOM 0 H ALA A 23 5.060 10.113 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 23 3.415 8.647 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.322 9.908 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.512 10.865 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.251 11.188 -0.392 1.00 0.00 H new ATOM 301 N ALA A 24 2.062 7.793 -1.238 1.00 0.00 N ATOM 302 CA ALA A 24 1.645 7.053 -2.422 1.00 0.00 C ATOM 303 C ALA A 24 0.223 6.523 -2.266 1.00 0.00 C ATOM 304 O ALA A 24 -0.092 5.843 -1.290 1.00 0.00 O ATOM 305 CB ALA A 24 2.609 5.908 -2.696 1.00 0.00 C ATOM 0 H ALA A 24 1.550 7.554 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 24 1.659 7.737 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.285 5.364 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.610 6.307 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.623 5.232 -1.841 1.00 0.00 H new ATOM 311 N ARG A 25 -0.631 6.841 -3.233 1.00 0.00 N ATOM 312 CA ARG A 25 -2.020 6.399 -3.201 1.00 0.00 C ATOM 313 C ARG A 25 -2.183 5.065 -3.923 1.00 0.00 C ATOM 314 O ARG A 25 -1.929 4.961 -5.124 1.00 0.00 O ATOM 315 CB ARG A 25 -2.928 7.451 -3.842 1.00 0.00 C ATOM 316 CG ARG A 25 -4.401 7.264 -3.517 1.00 0.00 C ATOM 317 CD ARG A 25 -5.220 8.477 -3.929 1.00 0.00 C ATOM 318 NE ARG A 25 -4.966 8.864 -5.314 1.00 0.00 N ATOM 319 CZ ARG A 25 -5.441 9.976 -5.865 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.189 10.806 -5.151 1.00 0.00 N ATOM 321 NH2 ARG A 25 -5.166 10.260 -7.132 1.00 0.00 N ATOM 0 H ARG A 25 -0.386 7.403 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.308 6.266 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.614 8.441 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.797 7.421 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.778 6.378 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.520 7.090 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.280 8.258 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.986 9.313 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.393 8.247 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.401 10.592 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.552 11.659 -5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.590 9.624 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.531 11.114 -7.554 1.00 0.00 H new ATOM 335 N VAL A 26 -2.607 4.045 -3.183 1.00 0.00 N ATOM 336 CA VAL A 26 -2.804 2.717 -3.753 1.00 0.00 C ATOM 337 C VAL A 26 -4.285 2.366 -3.829 1.00 0.00 C ATOM 338 O VAL A 26 -4.987 2.366 -2.818 1.00 0.00 O ATOM 339 CB VAL A 26 -2.074 1.640 -2.929 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.391 1.792 -1.449 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.446 0.249 -3.422 1.00 0.00 C ATOM 0 H VAL A 26 -2.821 4.113 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.387 2.739 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.000 1.773 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.866 1.022 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.070 2.776 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.465 1.687 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.921 -0.500 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.521 0.103 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.162 0.146 -4.469 1.00 0.00 H new ATOM 351 N PHE A 27 -4.755 2.066 -5.035 1.00 0.00 N ATOM 352 CA PHE A 27 -6.154 1.713 -5.245 1.00 0.00 C ATOM 353 C PHE A 27 -6.275 0.375 -5.967 1.00 0.00 C ATOM 354 O PHE A 27 -5.593 0.131 -6.962 1.00 0.00 O ATOM 355 CB PHE A 27 -6.863 2.806 -6.048 1.00 0.00 C ATOM 356 CG PHE A 27 -6.404 2.893 -7.476 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.771 1.924 -8.396 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.606 3.944 -7.898 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.350 2.001 -9.710 1.00 0.00 C ATOM 360 CE2 PHE A 27 -5.181 4.027 -9.211 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.555 3.055 -10.118 1.00 0.00 C ATOM 0 H PHE A 27 -4.187 2.060 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.630 1.623 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.937 2.620 -6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.698 3.768 -5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.393 1.099 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.312 4.708 -7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.642 1.239 -10.417 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.558 4.850 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.227 3.119 -11.145 1.00 0.00 H new ATOM 371 N TRP A 28 -7.148 -0.488 -5.459 1.00 0.00 N ATOM 372 CA TRP A 28 -7.359 -1.802 -6.055 1.00 0.00 C ATOM 373 C TRP A 28 -8.683 -1.852 -6.809 1.00 0.00 C ATOM 374 O TRP A 28 -9.512 -0.952 -6.684 1.00 0.00 O ATOM 375 CB TRP A 28 -7.331 -2.885 -4.975 1.00 0.00 C ATOM 376 CG TRP A 28 -8.052 -2.492 -3.721 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.291 -2.906 -3.324 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.578 -1.605 -2.702 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.616 -2.330 -2.120 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.581 -1.528 -1.717 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.402 -0.870 -2.525 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.443 -0.745 -0.574 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.267 -0.093 -1.391 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.282 -0.036 -0.426 1.00 0.00 C ATOM 0 H TRP A 28 -7.721 -0.301 -4.636 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.552 -1.985 -6.764 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.778 -3.796 -5.372 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.295 -3.119 -4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.923 -3.586 -3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.487 -2.476 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.613 -0.909 -3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.225 -0.699 0.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.364 0.481 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.145 0.579 0.451 1.00 0.00 H new ATOM 395 N GLU A 29 -8.875 -2.910 -7.590 1.00 0.00 N ATOM 396 CA GLU A 29 -10.099 -3.076 -8.364 1.00 0.00 C ATOM 397 C GLU A 29 -11.204 -3.690 -7.510 1.00 0.00 C ATOM 398 O GLU A 29 -12.209 -4.173 -8.029 1.00 0.00 O ATOM 399 CB GLU A 29 -9.840 -3.954 -9.590 1.00 0.00 C ATOM 400 CG GLU A 29 -9.377 -3.175 -10.810 1.00 0.00 C ATOM 401 CD GLU A 29 -9.732 -3.866 -12.112 1.00 0.00 C ATOM 402 OE1 GLU A 29 -9.356 -5.045 -12.281 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.386 -3.227 -12.963 1.00 0.00 O ATOM 0 H GLU A 29 -8.199 -3.665 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.424 -2.090 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.087 -4.701 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.754 -4.494 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.827 -2.182 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.297 -3.036 -10.759 1.00 0.00 H new ATOM 410 N GLY A 30 -11.009 -3.668 -6.195 1.00 0.00 N ATOM 411 CA GLY A 30 -11.996 -4.226 -5.289 1.00 0.00 C ATOM 412 C GLY A 30 -11.834 -5.721 -5.105 1.00 0.00 C ATOM 413 O GLY A 30 -10.806 -6.291 -5.471 1.00 0.00 O ATOM 0 H GLY A 30 -10.185 -3.274 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.915 -3.733 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.995 -4.016 -5.671 1.00 0.00 H new ATOM 417 N ALA A 31 -12.851 -6.360 -4.534 1.00 0.00 N ATOM 418 CA ALA A 31 -12.816 -7.798 -4.303 1.00 0.00 C ATOM 419 C ALA A 31 -14.146 -8.446 -4.674 1.00 0.00 C ATOM 420 O ALA A 31 -15.205 -7.820 -4.623 1.00 0.00 O ATOM 421 CB ALA A 31 -12.472 -8.091 -2.850 1.00 0.00 C ATOM 0 H ALA A 31 -13.709 -5.904 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.043 -8.225 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.449 -9.169 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.495 -7.669 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.225 -7.645 -2.201 1.00 0.00 H new ATOM 427 N PRO A 32 -14.093 -9.730 -5.057 1.00 0.00 N ATOM 428 CA PRO A 32 -15.285 -10.490 -5.445 1.00 0.00 C ATOM 429 C PRO A 32 -16.199 -10.780 -4.259 1.00 0.00 C ATOM 430 O PRO A 32 -17.306 -11.291 -4.427 1.00 0.00 O ATOM 431 CB PRO A 32 -14.708 -11.792 -6.007 1.00 0.00 C ATOM 432 CG PRO A 32 -13.383 -11.937 -5.343 1.00 0.00 C ATOM 433 CD PRO A 32 -12.866 -10.539 -5.142 1.00 0.00 C ATOM 0 HA PRO A 32 -15.905 -9.942 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.356 -12.640 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.604 -11.744 -7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.479 -12.459 -4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.699 -12.521 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.268 -10.458 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.232 -10.222 -5.970 1.00 0.00 H new ATOM 441 N ARG A 33 -15.728 -10.451 -3.061 1.00 0.00 N ATOM 442 CA ARG A 33 -16.503 -10.677 -1.847 1.00 0.00 C ATOM 443 C ARG A 33 -16.564 -9.411 -0.997 1.00 0.00 C ATOM 444 O ARG A 33 -15.716 -8.524 -1.099 1.00 0.00 O ATOM 445 CB ARG A 33 -15.894 -11.820 -1.033 1.00 0.00 C ATOM 446 CG ARG A 33 -14.374 -11.825 -1.032 1.00 0.00 C ATOM 447 CD ARG A 33 -13.821 -13.225 -0.813 1.00 0.00 C ATOM 448 NE ARG A 33 -12.395 -13.304 -1.118 1.00 0.00 N ATOM 449 CZ ARG A 33 -11.772 -14.435 -1.431 1.00 0.00 C ATOM 450 NH1 ARG A 33 -12.446 -15.575 -1.480 1.00 0.00 N ATOM 451 NH2 ARG A 33 -10.472 -14.426 -1.695 1.00 0.00 N ATOM 0 H ARG A 33 -14.814 -10.027 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.518 -10.948 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.249 -11.752 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.252 -12.769 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.007 -11.432 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.007 -11.161 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.987 -13.523 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.365 -13.932 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.847 -12.444 -1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.446 -15.586 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.965 -16.442 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.950 -13.550 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.994 -15.295 -1.935 1.00 0.00 H new ATOM 465 N PRO A 34 -17.592 -9.323 -0.140 1.00 0.00 N ATOM 466 CA PRO A 34 -17.789 -8.170 0.744 1.00 0.00 C ATOM 467 C PRO A 34 -16.736 -8.096 1.845 1.00 0.00 C ATOM 468 O PRO A 34 -16.287 -9.121 2.357 1.00 0.00 O ATOM 469 CB PRO A 34 -19.175 -8.416 1.345 1.00 0.00 C ATOM 470 CG PRO A 34 -19.361 -9.893 1.275 1.00 0.00 C ATOM 471 CD PRO A 34 -18.640 -10.342 0.034 1.00 0.00 C ATOM 0 HA PRO A 34 -17.704 -7.226 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.230 -8.058 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.949 -7.892 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.954 -10.380 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.419 -10.151 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.215 -11.339 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.308 -10.382 -0.826 1.00 0.00 H new ATOM 479 N VAL A 35 -16.347 -6.877 2.204 1.00 0.00 N ATOM 480 CA VAL A 35 -15.348 -6.670 3.246 1.00 0.00 C ATOM 481 C VAL A 35 -15.886 -5.769 4.352 1.00 0.00 C ATOM 482 O VAL A 35 -16.708 -4.887 4.104 1.00 0.00 O ATOM 483 CB VAL A 35 -14.060 -6.048 2.673 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.034 -5.834 3.775 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.492 -6.924 1.567 1.00 0.00 C ATOM 0 H VAL A 35 -16.708 -6.018 1.789 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.116 -7.651 3.661 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.306 -5.076 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.131 -5.394 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.445 -5.163 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.789 -6.791 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.583 -6.470 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.261 -7.911 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.225 -7.020 0.766 1.00 0.00 H new ATOM 495 N ARG A 36 -15.416 -5.998 5.574 1.00 0.00 N ATOM 496 CA ARG A 36 -15.850 -5.207 6.720 1.00 0.00 C ATOM 497 C ARG A 36 -14.775 -4.205 7.128 1.00 0.00 C ATOM 498 O ARG A 36 -15.075 -3.143 7.675 1.00 0.00 O ATOM 499 CB ARG A 36 -16.185 -6.121 7.900 1.00 0.00 C ATOM 500 CG ARG A 36 -14.985 -6.879 8.443 1.00 0.00 C ATOM 501 CD ARG A 36 -15.189 -7.277 9.897 1.00 0.00 C ATOM 502 NE ARG A 36 -14.189 -8.241 10.346 1.00 0.00 N ATOM 503 CZ ARG A 36 -14.033 -8.602 11.614 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.810 -8.082 12.555 1.00 0.00 N ATOM 505 NH2 ARG A 36 -13.101 -9.486 11.945 1.00 0.00 N ATOM 0 H ARG A 36 -14.735 -6.724 5.796 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.745 -4.656 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.618 -5.522 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.946 -6.837 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.814 -7.771 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.092 -6.260 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.143 -6.388 10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.185 -7.704 10.020 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.576 -8.660 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.529 -7.403 12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.688 -8.361 13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.502 -9.890 11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.983 -9.762 12.920 1.00 0.00 H new ATOM 519 N LEU A 37 -13.520 -4.550 6.860 1.00 0.00 N ATOM 520 CA LEU A 37 -12.398 -3.681 7.200 1.00 0.00 C ATOM 521 C LEU A 37 -11.160 -4.048 6.389 1.00 0.00 C ATOM 522 O LEU A 37 -11.030 -5.175 5.910 1.00 0.00 O ATOM 523 CB LEU A 37 -12.089 -3.776 8.695 1.00 0.00 C ATOM 524 CG LEU A 37 -10.943 -2.899 9.200 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.344 -1.432 9.178 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.529 -3.319 10.603 1.00 0.00 C ATOM 0 H LEU A 37 -13.254 -5.425 6.408 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.678 -2.656 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.991 -3.516 9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.857 -4.814 8.933 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.089 -3.031 8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.516 -0.823 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.591 -1.138 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.213 -1.283 9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.712 -2.684 10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.378 -3.216 11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.200 -4.358 10.590 1.00 0.00 H new ATOM 538 N VAL A 38 -10.251 -3.090 6.240 1.00 0.00 N ATOM 539 CA VAL A 38 -9.020 -3.313 5.490 1.00 0.00 C ATOM 540 C VAL A 38 -7.813 -2.755 6.235 1.00 0.00 C ATOM 541 O VAL A 38 -7.901 -1.715 6.889 1.00 0.00 O ATOM 542 CB VAL A 38 -9.090 -2.669 4.093 1.00 0.00 C ATOM 543 CG1 VAL A 38 -7.826 -2.969 3.302 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.324 -3.153 3.345 1.00 0.00 C ATOM 0 H VAL A 38 -10.344 -2.152 6.629 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.908 -4.392 5.380 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.166 -1.588 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.894 -2.506 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.962 -2.569 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.715 -4.047 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.358 -2.688 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.280 -4.236 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.219 -2.882 3.905 1.00 0.00 H new ATOM 554 N ARG A 39 -6.686 -3.451 6.131 1.00 0.00 N ATOM 555 CA ARG A 39 -5.461 -3.025 6.796 1.00 0.00 C ATOM 556 C ARG A 39 -4.284 -3.033 5.825 1.00 0.00 C ATOM 557 O ARG A 39 -3.756 -4.091 5.482 1.00 0.00 O ATOM 558 CB ARG A 39 -5.159 -3.936 7.988 1.00 0.00 C ATOM 559 CG ARG A 39 -4.416 -3.237 9.115 1.00 0.00 C ATOM 560 CD ARG A 39 -4.019 -4.215 10.210 1.00 0.00 C ATOM 561 NE ARG A 39 -3.113 -5.249 9.718 1.00 0.00 N ATOM 562 CZ ARG A 39 -3.525 -6.374 9.144 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.821 -6.608 8.991 1.00 0.00 N ATOM 564 NH2 ARG A 39 -2.639 -7.268 8.721 1.00 0.00 N ATOM 0 H ARG A 39 -6.596 -4.313 5.592 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.607 -2.006 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.096 -4.336 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.567 -4.785 7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.524 -2.751 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.045 -2.453 9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.541 -3.672 11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.914 -4.683 10.620 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.109 -5.099 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.505 -5.923 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.135 -7.473 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.641 -7.091 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.956 -8.131 8.280 1.00 0.00 H new ATOM 578 N VAL A 40 -3.879 -1.847 5.383 1.00 0.00 N ATOM 579 CA VAL A 40 -2.766 -1.717 4.452 1.00 0.00 C ATOM 580 C VAL A 40 -1.453 -1.488 5.193 1.00 0.00 C ATOM 581 O VAL A 40 -1.378 -0.665 6.106 1.00 0.00 O ATOM 582 CB VAL A 40 -2.993 -0.558 3.463 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.895 -0.531 2.410 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.363 -0.674 2.813 1.00 0.00 C ATOM 0 H VAL A 40 -4.306 -0.962 5.655 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.708 -2.653 3.896 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.956 0.381 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.072 0.294 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.928 -0.397 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.897 -1.471 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.507 0.153 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.431 -1.619 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.135 -0.639 3.582 1.00 0.00 H new ATOM 594 N THR A 41 -0.419 -2.222 4.794 1.00 0.00 N ATOM 595 CA THR A 41 0.892 -2.100 5.420 1.00 0.00 C ATOM 596 C THR A 41 1.996 -2.011 4.373 1.00 0.00 C ATOM 597 O THR A 41 2.182 -2.929 3.574 1.00 0.00 O ATOM 598 CB THR A 41 1.181 -3.289 6.355 1.00 0.00 C ATOM 599 OG1 THR A 41 0.874 -4.520 5.690 1.00 0.00 O ATOM 600 CG2 THR A 41 0.366 -3.182 7.635 1.00 0.00 C ATOM 0 H THR A 41 -0.464 -2.907 4.040 1.00 0.00 H new ATOM 0 HA THR A 41 0.877 -1.181 6.007 1.00 0.00 H new ATOM 0 HB THR A 41 2.239 -3.270 6.615 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.062 -5.272 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.587 -4.033 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.622 -2.258 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.696 -3.178 7.391 1.00 0.00 H new ATOM 608 N TYR A 42 2.726 -0.901 4.383 1.00 0.00 N ATOM 609 CA TYR A 42 3.811 -0.692 3.432 1.00 0.00 C ATOM 610 C TYR A 42 5.165 -0.726 4.134 1.00 0.00 C ATOM 611 O TYR A 42 5.293 -0.299 5.282 1.00 0.00 O ATOM 612 CB TYR A 42 3.633 0.643 2.707 1.00 0.00 C ATOM 613 CG TYR A 42 3.255 1.784 3.625 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.942 1.957 4.046 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.211 2.688 4.071 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.593 2.998 4.884 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.871 3.731 4.910 1.00 0.00 C ATOM 618 CZ TYR A 42 2.560 3.883 5.313 1.00 0.00 C ATOM 619 OH TYR A 42 2.216 4.921 6.149 1.00 0.00 O ATOM 0 H TYR A 42 2.586 -0.133 5.039 1.00 0.00 H new ATOM 0 HA TYR A 42 3.780 -1.501 2.702 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.560 0.894 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.864 0.532 1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.182 1.266 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.238 2.573 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.568 3.118 5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.627 4.424 5.249 1.00 0.00 H new ATOM 0 HH TYR A 42 2.843 5.664 6.023 1.00 0.00 H new ATOM 629 N VAL A 43 6.174 -1.236 3.436 1.00 0.00 N ATOM 630 CA VAL A 43 7.520 -1.325 3.990 1.00 0.00 C ATOM 631 C VAL A 43 8.570 -0.977 2.941 1.00 0.00 C ATOM 632 O VAL A 43 8.430 -1.323 1.769 1.00 0.00 O ATOM 633 CB VAL A 43 7.808 -2.734 4.542 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.883 -3.746 3.408 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.095 -2.734 5.354 1.00 0.00 C ATOM 0 H VAL A 43 6.085 -1.594 2.485 1.00 0.00 H new ATOM 0 HA VAL A 43 7.574 -0.605 4.807 1.00 0.00 H new ATOM 0 HB VAL A 43 6.989 -3.023 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.087 -4.736 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.934 -3.763 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.682 -3.465 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.284 -3.737 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.926 -2.426 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.999 -2.039 6.189 1.00 0.00 H new ATOM 645 N SER A 44 9.624 -0.290 3.372 1.00 0.00 N ATOM 646 CA SER A 44 10.697 0.109 2.470 1.00 0.00 C ATOM 647 C SER A 44 11.369 -1.113 1.851 1.00 0.00 C ATOM 648 O SER A 44 11.388 -2.192 2.444 1.00 0.00 O ATOM 649 CB SER A 44 11.734 0.951 3.216 1.00 0.00 C ATOM 650 OG SER A 44 12.593 0.132 3.991 1.00 0.00 O ATOM 0 H SER A 44 9.757 0.001 4.340 1.00 0.00 H new ATOM 0 HA SER A 44 10.261 0.707 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.322 1.527 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.228 1.668 3.863 1.00 0.00 H new ATOM 0 HG SER A 44 13.248 0.693 4.457 1.00 0.00 H new ATOM 714 N SER A 50 8.476 1.179 8.028 1.00 0.00 N ATOM 715 CA SER A 50 7.209 0.593 7.604 1.00 0.00 C ATOM 716 C SER A 50 6.034 1.293 8.280 1.00 0.00 C ATOM 717 O SER A 50 6.196 1.953 9.305 1.00 0.00 O ATOM 718 CB SER A 50 7.181 -0.902 7.928 1.00 0.00 C ATOM 719 OG SER A 50 7.176 -1.121 9.328 1.00 0.00 O ATOM 0 HA SER A 50 7.118 0.726 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.296 -1.357 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.049 -1.390 7.484 1.00 0.00 H new ATOM 0 HG SER A 50 7.652 -0.390 9.775 1.00 0.00 H new ATOM 725 N GLY A 51 4.848 1.142 7.697 1.00 0.00 N ATOM 726 CA GLY A 51 3.662 1.765 8.255 1.00 0.00 C ATOM 727 C GLY A 51 2.471 0.829 8.275 1.00 0.00 C ATOM 728 O GLY A 51 2.613 -0.371 8.041 1.00 0.00 O ATOM 0 H GLY A 51 4.688 0.599 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.875 2.099 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.413 2.652 7.673 1.00 0.00 H new ATOM 732 N GLN A 52 1.293 1.378 8.556 1.00 0.00 N ATOM 733 CA GLN A 52 0.073 0.582 8.608 1.00 0.00 C ATOM 734 C GLN A 52 -1.155 1.476 8.750 1.00 0.00 C ATOM 735 O GLN A 52 -1.339 2.138 9.771 1.00 0.00 O ATOM 736 CB GLN A 52 0.134 -0.409 9.772 1.00 0.00 C ATOM 737 CG GLN A 52 -1.192 -1.096 10.057 1.00 0.00 C ATOM 738 CD GLN A 52 -1.220 -1.770 11.414 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.283 -2.474 11.790 1.00 0.00 O ATOM 740 NE2 GLN A 52 -2.299 -1.557 12.159 1.00 0.00 N ATOM 0 H GLN A 52 1.158 2.370 8.751 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.009 0.028 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.887 -1.167 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.461 0.117 10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.996 -0.362 10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.386 -1.838 9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.053 -0.966 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.374 -1.984 13.082 1.00 0.00 H new ATOM 749 N THR A 53 -1.992 1.491 7.718 1.00 0.00 N ATOM 750 CA THR A 53 -3.201 2.305 7.726 1.00 0.00 C ATOM 751 C THR A 53 -4.448 1.439 7.583 1.00 0.00 C ATOM 752 O THR A 53 -4.435 0.429 6.881 1.00 0.00 O ATOM 753 CB THR A 53 -3.183 3.349 6.594 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.243 4.294 6.783 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.329 2.679 5.237 1.00 0.00 C ATOM 0 H THR A 53 -1.855 0.948 6.865 1.00 0.00 H new ATOM 0 HA THR A 53 -3.228 2.821 8.686 1.00 0.00 H new ATOM 0 HB THR A 53 -2.225 3.868 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.224 4.956 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.314 3.437 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.505 1.982 5.085 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.274 2.137 5.199 1.00 0.00 H new ATOM 763 N GLU A 54 -5.523 1.842 8.254 1.00 0.00 N ATOM 764 CA GLU A 54 -6.777 1.101 8.200 1.00 0.00 C ATOM 765 C GLU A 54 -7.800 1.825 7.329 1.00 0.00 C ATOM 766 O GLU A 54 -7.828 3.054 7.278 1.00 0.00 O ATOM 767 CB GLU A 54 -7.340 0.905 9.610 1.00 0.00 C ATOM 768 CG GLU A 54 -6.541 -0.075 10.453 1.00 0.00 C ATOM 769 CD GLU A 54 -5.202 0.487 10.889 1.00 0.00 C ATOM 770 OE1 GLU A 54 -4.234 0.389 10.106 1.00 0.00 O ATOM 771 OE2 GLU A 54 -5.123 1.024 12.013 1.00 0.00 O ATOM 0 H GLU A 54 -5.550 2.676 8.840 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.574 0.126 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.369 1.869 10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.369 0.553 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.121 -0.347 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.379 -0.990 9.884 1.00 0.00 H new ATOM 778 N ALA A 55 -8.639 1.053 6.646 1.00 0.00 N ATOM 779 CA ALA A 55 -9.664 1.620 5.778 1.00 0.00 C ATOM 780 C ALA A 55 -10.938 0.783 5.814 1.00 0.00 C ATOM 781 O ALA A 55 -10.911 -0.422 6.068 1.00 0.00 O ATOM 782 CB ALA A 55 -9.145 1.734 4.352 1.00 0.00 C ATOM 0 H ALA A 55 -8.629 0.034 6.677 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.905 2.617 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.921 2.159 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.267 2.380 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.874 0.745 3.983 1.00 0.00 H new ATOM 788 N PRO A 56 -12.082 1.433 5.556 1.00 0.00 N ATOM 789 CA PRO A 56 -13.388 0.768 5.553 1.00 0.00 C ATOM 790 C PRO A 56 -13.550 -0.186 4.375 1.00 0.00 C ATOM 791 O PRO A 56 -12.906 -0.024 3.339 1.00 0.00 O ATOM 792 CB PRO A 56 -14.378 1.930 5.440 1.00 0.00 C ATOM 793 CG PRO A 56 -13.609 3.019 4.776 1.00 0.00 C ATOM 794 CD PRO A 56 -12.188 2.869 5.245 1.00 0.00 C ATOM 0 HA PRO A 56 -13.533 0.151 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.253 1.649 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.738 2.241 6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.673 2.936 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.007 3.997 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.477 3.167 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.986 3.486 6.121 1.00 0.00 H new ATOM 802 N GLY A 57 -14.414 -1.183 4.540 1.00 0.00 N ATOM 803 CA GLY A 57 -14.645 -2.149 3.482 1.00 0.00 C ATOM 804 C GLY A 57 -15.147 -1.501 2.206 1.00 0.00 C ATOM 805 O GLY A 57 -15.105 -2.108 1.137 1.00 0.00 O ATOM 0 H GLY A 57 -14.958 -1.339 5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.719 -2.684 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.371 -2.888 3.821 1.00 0.00 H new ATOM 809 N ASN A 58 -15.624 -0.266 2.319 1.00 0.00 N ATOM 810 CA ASN A 58 -16.139 0.463 1.166 1.00 0.00 C ATOM 811 C ASN A 58 -15.028 1.255 0.483 1.00 0.00 C ATOM 812 O ASN A 58 -15.238 1.859 -0.568 1.00 0.00 O ATOM 813 CB ASN A 58 -17.265 1.406 1.593 1.00 0.00 C ATOM 814 CG ASN A 58 -18.339 0.698 2.397 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.654 -0.464 2.143 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.906 1.398 3.372 1.00 0.00 N ATOM 0 H ASN A 58 -15.665 0.251 3.197 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.533 -0.263 0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.848 2.220 2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.715 1.855 0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.635 0.975 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.613 2.359 3.547 1.00 0.00 H new ATOM 823 N ALA A 59 -13.845 1.247 1.089 1.00 0.00 N ATOM 824 CA ALA A 59 -12.700 1.963 0.539 1.00 0.00 C ATOM 825 C ALA A 59 -11.940 1.097 -0.460 1.00 0.00 C ATOM 826 O ALA A 59 -11.533 -0.022 -0.144 1.00 0.00 O ATOM 827 CB ALA A 59 -11.775 2.418 1.658 1.00 0.00 C ATOM 0 H ALA A 59 -13.654 0.753 1.961 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.071 2.841 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.925 2.951 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.318 3.080 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.419 1.549 2.211 1.00 0.00 H new ATOM 833 N THR A 60 -11.752 1.620 -1.667 1.00 0.00 N ATOM 834 CA THR A 60 -11.043 0.894 -2.713 1.00 0.00 C ATOM 835 C THR A 60 -9.607 1.389 -2.848 1.00 0.00 C ATOM 836 O THR A 60 -8.874 0.958 -3.738 1.00 0.00 O ATOM 837 CB THR A 60 -11.752 1.033 -4.073 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.213 2.377 -4.251 1.00 0.00 O ATOM 839 CG2 THR A 60 -12.926 0.071 -4.172 1.00 0.00 C ATOM 0 H THR A 60 -12.081 2.545 -1.945 1.00 0.00 H new ATOM 0 HA THR A 60 -11.037 -0.156 -2.421 1.00 0.00 H new ATOM 0 HB THR A 60 -11.036 0.789 -4.858 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.661 2.457 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.411 0.187 -5.141 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.567 -0.953 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.642 0.288 -3.379 1.00 0.00 H new ATOM 847 N SER A 61 -9.212 2.295 -1.960 1.00 0.00 N ATOM 848 CA SER A 61 -7.864 2.851 -1.983 1.00 0.00 C ATOM 849 C SER A 61 -7.486 3.416 -0.617 1.00 0.00 C ATOM 850 O SER A 61 -8.350 3.667 0.224 1.00 0.00 O ATOM 851 CB SER A 61 -7.758 3.945 -3.047 1.00 0.00 C ATOM 852 OG SER A 61 -6.475 4.544 -3.036 1.00 0.00 O ATOM 0 H SER A 61 -9.806 2.660 -1.215 1.00 0.00 H new ATOM 0 HA SER A 61 -7.171 2.047 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.956 3.520 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.519 4.705 -2.869 1.00 0.00 H new ATOM 0 HG SER A 61 -5.796 3.860 -2.860 1.00 0.00 H new ATOM 858 N ALA A 62 -6.190 3.613 -0.403 1.00 0.00 N ATOM 859 CA ALA A 62 -5.696 4.150 0.859 1.00 0.00 C ATOM 860 C ALA A 62 -4.405 4.934 0.655 1.00 0.00 C ATOM 861 O ALA A 62 -3.575 4.574 -0.180 1.00 0.00 O ATOM 862 CB ALA A 62 -5.481 3.026 1.862 1.00 0.00 C ATOM 0 H ALA A 62 -5.462 3.409 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.447 4.835 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.112 3.441 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.425 2.511 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.752 2.320 1.466 1.00 0.00 H new ATOM 868 N MET A 63 -4.242 6.007 1.421 1.00 0.00 N ATOM 869 CA MET A 63 -3.050 6.841 1.324 1.00 0.00 C ATOM 870 C MET A 63 -1.892 6.229 2.106 1.00 0.00 C ATOM 871 O MET A 63 -2.100 5.539 3.105 1.00 0.00 O ATOM 872 CB MET A 63 -3.343 8.250 1.843 1.00 0.00 C ATOM 873 CG MET A 63 -3.967 9.165 0.801 1.00 0.00 C ATOM 874 SD MET A 63 -2.735 10.082 -0.143 1.00 0.00 S ATOM 875 CE MET A 63 -1.975 8.760 -1.083 1.00 0.00 C ATOM 0 H MET A 63 -4.920 6.320 2.116 1.00 0.00 H new ATOM 0 HA MET A 63 -2.764 6.901 0.274 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.012 8.180 2.701 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.415 8.698 2.198 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.574 8.571 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.638 9.868 1.295 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.476 9.176 -1.958 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.244 8.244 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.741 8.054 -1.403 1.00 0.00 H new ATOM 885 N LEU A 64 -0.672 6.486 1.647 1.00 0.00 N ATOM 886 CA LEU A 64 0.519 5.960 2.304 1.00 0.00 C ATOM 887 C LEU A 64 1.498 7.082 2.636 1.00 0.00 C ATOM 888 O LEU A 64 1.479 8.142 2.012 1.00 0.00 O ATOM 889 CB LEU A 64 1.201 4.921 1.412 1.00 0.00 C ATOM 890 CG LEU A 64 0.302 3.810 0.868 1.00 0.00 C ATOM 891 CD1 LEU A 64 1.117 2.806 0.069 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.436 3.117 2.005 1.00 0.00 C ATOM 0 H LEU A 64 -0.482 7.055 0.822 1.00 0.00 H new ATOM 0 HA LEU A 64 0.210 5.484 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.656 5.439 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.011 4.461 1.978 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.435 4.259 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.460 2.023 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.599 3.312 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.878 2.362 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.071 2.329 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.286 2.682 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.052 3.843 2.535 1.00 0.00 H new ATOM 904 N GLY A 65 2.355 6.840 3.624 1.00 0.00 N ATOM 905 CA GLY A 65 3.331 7.838 4.021 1.00 0.00 C ATOM 906 C GLY A 65 3.320 8.098 5.514 1.00 0.00 C ATOM 907 O GLY A 65 2.451 7.619 6.243 1.00 0.00 O ATOM 0 H GLY A 65 2.390 5.971 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.326 7.509 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.130 8.769 3.492 1.00 0.00 H new ATOM 911 N PRO A 66 4.306 8.872 5.991 1.00 0.00 N ATOM 912 CA PRO A 66 5.347 9.446 5.133 1.00 0.00 C ATOM 913 C PRO A 66 6.305 8.389 4.596 1.00 0.00 C ATOM 914 O PRO A 66 6.776 7.528 5.340 1.00 0.00 O ATOM 915 CB PRO A 66 6.084 10.410 6.066 1.00 0.00 C ATOM 916 CG PRO A 66 5.851 9.866 7.434 1.00 0.00 C ATOM 917 CD PRO A 66 4.481 9.246 7.404 1.00 0.00 C ATOM 0 HA PRO A 66 4.927 9.924 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.148 10.451 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.697 11.425 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.608 9.127 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.906 10.656 8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.419 8.378 8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.715 9.949 7.731 1.00 0.00 H new ATOM 925 N LEU A 67 6.589 8.458 3.300 1.00 0.00 N ATOM 926 CA LEU A 67 7.492 7.506 2.663 1.00 0.00 C ATOM 927 C LEU A 67 8.797 8.182 2.256 1.00 0.00 C ATOM 928 O LEU A 67 9.000 9.369 2.512 1.00 0.00 O ATOM 929 CB LEU A 67 6.824 6.882 1.436 1.00 0.00 C ATOM 930 CG LEU A 67 5.388 6.394 1.630 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.898 5.670 0.386 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.291 5.489 2.849 1.00 0.00 C ATOM 0 H LEU A 67 6.207 9.163 2.670 1.00 0.00 H new ATOM 0 HA LEU A 67 7.720 6.721 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.831 7.616 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.431 6.040 1.105 1.00 0.00 H new ATOM 0 HG LEU A 67 4.750 7.262 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.874 5.330 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.928 6.349 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.539 4.811 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.262 5.152 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.942 4.625 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.600 6.041 3.737 1.00 0.00 H new ATOM 944 N SER A 68 9.680 7.419 1.619 1.00 0.00 N ATOM 945 CA SER A 68 10.967 7.943 1.178 1.00 0.00 C ATOM 946 C SER A 68 10.898 8.398 -0.277 1.00 0.00 C ATOM 947 O SER A 68 9.846 8.327 -0.912 1.00 0.00 O ATOM 948 CB SER A 68 12.057 6.883 1.342 1.00 0.00 C ATOM 949 OG SER A 68 13.345 7.440 1.143 1.00 0.00 O ATOM 0 H SER A 68 9.527 6.435 1.397 1.00 0.00 H new ATOM 0 HA SER A 68 11.213 8.805 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.996 6.446 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.893 6.075 0.629 1.00 0.00 H new ATOM 0 HG SER A 68 13.798 6.965 0.416 1.00 0.00 H new ATOM 955 N SER A 69 12.028 8.866 -0.798 1.00 0.00 N ATOM 956 CA SER A 69 12.097 9.336 -2.176 1.00 0.00 C ATOM 957 C SER A 69 12.916 8.379 -3.037 1.00 0.00 C ATOM 958 O SER A 69 13.857 7.746 -2.558 1.00 0.00 O ATOM 959 CB SER A 69 12.708 10.738 -2.229 1.00 0.00 C ATOM 960 OG SER A 69 13.895 10.806 -1.457 1.00 0.00 O ATOM 0 H SER A 69 12.908 8.930 -0.286 1.00 0.00 H new ATOM 0 HA SER A 69 11.082 9.374 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.927 11.004 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.987 11.467 -1.858 1.00 0.00 H new ATOM 0 HG SER A 69 14.431 11.573 -1.748 1.00 0.00 H new ATOM 966 N SER A 70 12.551 8.279 -4.311 1.00 0.00 N ATOM 967 CA SER A 70 13.248 7.396 -5.239 1.00 0.00 C ATOM 968 C SER A 70 13.530 6.042 -4.594 1.00 0.00 C ATOM 969 O SER A 70 14.524 5.387 -4.906 1.00 0.00 O ATOM 970 CB SER A 70 14.559 8.037 -5.698 1.00 0.00 C ATOM 971 OG SER A 70 15.025 7.443 -6.897 1.00 0.00 O ATOM 0 H SER A 70 11.777 8.799 -4.724 1.00 0.00 H new ATOM 0 HA SER A 70 12.605 7.239 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.410 9.106 -5.852 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.313 7.929 -4.918 1.00 0.00 H new ATOM 0 HG SER A 70 15.075 6.471 -6.783 1.00 0.00 H new ATOM 977 N THR A 71 12.646 5.629 -3.690 1.00 0.00 N ATOM 978 CA THR A 71 12.798 4.355 -2.999 1.00 0.00 C ATOM 979 C THR A 71 11.581 3.464 -3.215 1.00 0.00 C ATOM 980 O THR A 71 10.441 3.899 -3.045 1.00 0.00 O ATOM 981 CB THR A 71 13.011 4.558 -1.487 1.00 0.00 C ATOM 982 OG1 THR A 71 14.200 5.322 -1.258 1.00 0.00 O ATOM 983 CG2 THR A 71 13.116 3.220 -0.771 1.00 0.00 C ATOM 0 H THR A 71 11.817 6.159 -3.420 1.00 0.00 H new ATOM 0 HA THR A 71 13.679 3.870 -3.420 1.00 0.00 H new ATOM 0 HB THR A 71 12.151 5.098 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.102 6.209 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.266 3.389 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.198 2.653 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.960 2.658 -1.172 1.00 0.00 H new ATOM 991 N THR A 72 11.828 2.212 -3.589 1.00 0.00 N ATOM 992 CA THR A 72 10.751 1.259 -3.828 1.00 0.00 C ATOM 993 C THR A 72 10.185 0.729 -2.516 1.00 0.00 C ATOM 994 O THR A 72 10.933 0.370 -1.606 1.00 0.00 O ATOM 995 CB THR A 72 11.231 0.072 -4.684 1.00 0.00 C ATOM 996 OG1 THR A 72 11.686 0.540 -5.959 1.00 0.00 O ATOM 997 CG2 THR A 72 10.114 -0.941 -4.879 1.00 0.00 C ATOM 0 H THR A 72 12.765 1.835 -3.733 1.00 0.00 H new ATOM 0 HA THR A 72 9.970 1.794 -4.368 1.00 0.00 H new ATOM 0 HB THR A 72 12.054 -0.415 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.991 -0.220 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.477 -1.770 -5.487 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.790 -1.317 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.273 -0.463 -5.382 1.00 0.00 H new ATOM 1005 N TYR A 73 8.861 0.682 -2.425 1.00 0.00 N ATOM 1006 CA TYR A 73 8.195 0.196 -1.222 1.00 0.00 C ATOM 1007 C TYR A 73 7.242 -0.949 -1.551 1.00 0.00 C ATOM 1008 O TYR A 73 6.705 -1.029 -2.657 1.00 0.00 O ATOM 1009 CB TYR A 73 7.427 1.333 -0.544 1.00 0.00 C ATOM 1010 CG TYR A 73 8.266 2.137 0.423 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.288 2.961 -0.032 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.037 2.072 1.792 1.00 0.00 C ATOM 1013 CE1 TYR A 73 10.057 3.698 0.848 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.801 2.806 2.679 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.810 3.617 2.203 1.00 0.00 C ATOM 1016 OH TYR A 73 10.573 4.348 3.083 1.00 0.00 O ATOM 0 H TYR A 73 8.228 0.974 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 73 8.960 -0.176 -0.540 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.031 2.000 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.572 0.916 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.485 3.027 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.249 1.437 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.847 4.334 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.609 2.745 3.740 1.00 0.00 H new ATOM 0 HH TYR A 73 10.269 4.178 3.999 1.00 0.00 H new ATOM 1026 N THR A 74 7.037 -1.837 -0.583 1.00 0.00 N ATOM 1027 CA THR A 74 6.151 -2.979 -0.768 1.00 0.00 C ATOM 1028 C THR A 74 4.851 -2.798 0.009 1.00 0.00 C ATOM 1029 O THR A 74 4.815 -2.976 1.226 1.00 0.00 O ATOM 1030 CB THR A 74 6.824 -4.290 -0.322 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.108 -4.417 -0.942 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.961 -5.491 -0.681 1.00 0.00 C ATOM 0 H THR A 74 7.473 -1.787 0.338 1.00 0.00 H new ATOM 0 HA THR A 74 5.929 -3.038 -1.834 1.00 0.00 H new ATOM 0 HB THR A 74 6.945 -4.260 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.340 -5.366 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.457 -6.406 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.995 -5.406 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.812 -5.523 -1.760 1.00 0.00 H new ATOM 1040 N VAL A 75 3.786 -2.444 -0.703 1.00 0.00 N ATOM 1041 CA VAL A 75 2.483 -2.242 -0.080 1.00 0.00 C ATOM 1042 C VAL A 75 1.719 -3.555 0.035 1.00 0.00 C ATOM 1043 O VAL A 75 1.761 -4.391 -0.868 1.00 0.00 O ATOM 1044 CB VAL A 75 1.633 -1.233 -0.875 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.320 -0.959 -0.156 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.407 0.057 -1.098 1.00 0.00 C ATOM 0 H VAL A 75 3.800 -2.291 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 75 2.667 -1.845 0.918 1.00 0.00 H new ATOM 0 HB VAL A 75 1.404 -1.665 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.268 -0.244 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.239 -1.889 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.525 -0.547 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.791 0.758 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.668 0.496 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.317 -0.157 -1.658 1.00 0.00 H new ATOM 1056 N ARG A 76 1.020 -3.731 1.152 1.00 0.00 N ATOM 1057 CA ARG A 76 0.246 -4.944 1.385 1.00 0.00 C ATOM 1058 C ARG A 76 -1.161 -4.606 1.871 1.00 0.00 C ATOM 1059 O ARG A 76 -1.343 -4.119 2.987 1.00 0.00 O ATOM 1060 CB ARG A 76 0.950 -5.835 2.410 1.00 0.00 C ATOM 1061 CG ARG A 76 0.687 -7.318 2.211 1.00 0.00 C ATOM 1062 CD ARG A 76 1.389 -8.156 3.268 1.00 0.00 C ATOM 1063 NE ARG A 76 0.666 -8.156 4.536 1.00 0.00 N ATOM 1064 CZ ARG A 76 0.871 -9.047 5.500 1.00 0.00 C ATOM 1065 NH1 ARG A 76 1.774 -10.005 5.340 1.00 0.00 N ATOM 1066 NH2 ARG A 76 0.173 -8.982 6.626 1.00 0.00 N ATOM 0 H ARG A 76 0.974 -3.049 1.909 1.00 0.00 H new ATOM 0 HA ARG A 76 0.167 -5.481 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.024 -5.655 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.627 -5.548 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.386 -7.507 2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.028 -7.619 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.491 -9.180 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.397 -7.771 3.425 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.035 -7.432 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.313 -10.059 4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.930 -10.688 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.523 -8.247 6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.332 -9.667 7.365 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.153 -4.868 1.026 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.543 -4.592 1.369 1.00 0.00 C ATOM 1082 C VAL A 77 -4.238 -5.843 1.893 1.00 0.00 C ATOM 1083 O VAL A 77 -4.688 -6.688 1.119 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.324 -4.054 0.155 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.781 -3.817 0.521 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.683 -2.778 -0.369 1.00 0.00 C ATOM 0 H VAL A 77 -2.020 -5.271 0.099 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.532 -3.832 2.150 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.290 -4.802 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.317 -3.437 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.232 -4.755 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.839 -3.089 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.248 -2.412 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.684 -2.021 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.657 -2.984 -0.672 1.00 0.00 H new ATOM 1096 N THR A 78 -4.322 -5.956 3.215 1.00 0.00 N ATOM 1097 CA THR A 78 -4.962 -7.105 3.845 1.00 0.00 C ATOM 1098 C THR A 78 -6.439 -6.835 4.110 1.00 0.00 C ATOM 1099 O THR A 78 -6.790 -6.123 5.051 1.00 0.00 O ATOM 1100 CB THR A 78 -4.273 -7.474 5.172 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.859 -7.585 4.975 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.819 -8.785 5.719 1.00 0.00 C ATOM 0 H THR A 78 -3.955 -5.266 3.870 1.00 0.00 H new ATOM 0 HA THR A 78 -4.867 -7.940 3.151 1.00 0.00 H new ATOM 0 HB THR A 78 -4.478 -6.684 5.895 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.428 -7.818 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.317 -9.025 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.890 -8.688 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.641 -9.583 4.998 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.299 -7.407 3.275 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.739 -7.228 3.419 1.00 0.00 C ATOM 1112 C CYS A 79 -9.320 -8.253 4.387 1.00 0.00 C ATOM 1113 O CYS A 79 -9.493 -9.423 4.039 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.428 -7.344 2.059 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.809 -6.185 0.817 1.00 0.00 S ATOM 0 H CYS A 79 -7.024 -7.999 2.491 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.917 -6.232 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.303 -8.361 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.498 -7.182 2.191 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.451 -6.361 -0.299 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.620 -7.809 5.602 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.180 -8.689 6.622 1.00 0.00 C ATOM 1123 C LEU A 80 -11.683 -8.863 6.425 1.00 0.00 C ATOM 1124 O LEU A 80 -12.462 -7.942 6.671 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.899 -8.129 8.017 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.596 -8.587 8.674 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.475 -10.102 8.622 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.400 -7.931 7.999 1.00 0.00 C ATOM 0 H LEU A 80 -9.485 -6.845 5.905 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.704 -9.665 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.888 -7.041 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.728 -8.402 8.670 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.612 -8.281 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.542 -10.409 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.315 -10.552 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.482 -10.432 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.481 -8.268 8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.381 -8.207 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.480 -6.848 8.089 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.083 -10.049 5.982 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.492 -10.344 5.752 1.00 0.00 C ATOM 1142 C TYR A 81 -14.218 -10.596 7.069 1.00 0.00 C ATOM 1143 O TYR A 81 -13.640 -11.076 8.044 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.637 -11.560 4.835 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.913 -11.414 3.516 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.263 -10.417 2.615 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.877 -12.274 3.172 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.604 -10.281 1.408 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.211 -12.144 1.968 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.579 -11.146 1.090 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.919 -11.013 -0.111 1.00 0.00 O ATOM 0 H TYR A 81 -11.451 -10.822 5.775 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.944 -9.478 5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.258 -12.442 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.695 -11.734 4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.064 -9.736 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.587 -13.057 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.890 -9.501 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.407 -12.820 1.716 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.377 -10.197 -0.098 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.518 -10.266 7.100 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.353 -10.448 8.291 1.00 0.00 C ATOM 1163 C PRO A 82 -16.619 -11.919 8.592 1.00 0.00 C ATOM 1164 O PRO A 82 -16.900 -12.289 9.732 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.656 -9.734 7.924 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.701 -9.771 6.435 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.272 -9.689 5.975 1.00 0.00 C ATOM 0 HA PRO A 82 -15.874 -10.056 9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.519 -10.237 8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.664 -8.709 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.173 -10.688 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.286 -8.940 6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.113 -10.251 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.972 -8.660 5.776 1.00 0.00 H new ATOM 1207 N SER A 87 -7.805 -11.757 2.576 1.00 0.00 N ATOM 1208 CA SER A 87 -6.986 -11.697 1.371 1.00 0.00 C ATOM 1209 C SER A 87 -5.811 -10.743 1.561 1.00 0.00 C ATOM 1210 O SER A 87 -5.802 -9.924 2.481 1.00 0.00 O ATOM 1211 CB SER A 87 -7.831 -11.253 0.176 1.00 0.00 C ATOM 1212 OG SER A 87 -7.082 -11.306 -1.026 1.00 0.00 O ATOM 0 HA SER A 87 -6.594 -12.695 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.709 -11.893 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.192 -10.237 0.339 1.00 0.00 H new ATOM 0 HG SER A 87 -7.647 -11.650 -1.749 1.00 0.00 H new ATOM 1218 N THR A 88 -4.818 -10.854 0.683 1.00 0.00 N ATOM 1219 CA THR A 88 -3.637 -10.003 0.753 1.00 0.00 C ATOM 1220 C THR A 88 -3.160 -9.610 -0.640 1.00 0.00 C ATOM 1221 O THR A 88 -2.669 -10.447 -1.399 1.00 0.00 O ATOM 1222 CB THR A 88 -2.485 -10.701 1.500 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.924 -11.117 2.798 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.288 -9.773 1.637 1.00 0.00 C ATOM 0 H THR A 88 -4.809 -11.525 -0.085 1.00 0.00 H new ATOM 0 HA THR A 88 -3.925 -9.107 1.302 1.00 0.00 H new ATOM 0 HB THR A 88 -2.183 -11.574 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.186 -11.561 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.487 -10.288 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.938 -9.482 0.647 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.579 -8.883 2.195 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.305 -8.331 -0.971 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.887 -7.826 -2.274 1.00 0.00 C ATOM 1234 C LEU A 89 -1.551 -7.098 -2.173 1.00 0.00 C ATOM 1235 O LEU A 89 -1.463 -6.015 -1.594 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.951 -6.886 -2.844 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.054 -7.545 -3.674 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.181 -6.559 -3.942 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.490 -8.081 -4.981 1.00 0.00 C ATOM 0 H LEU A 89 -3.709 -7.625 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.766 -8.677 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.417 -6.352 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.454 -6.140 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.459 -8.383 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.957 -7.045 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.604 -6.223 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.791 -5.701 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.289 -8.546 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.058 -7.261 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.718 -8.821 -4.768 1.00 0.00 H new ATOM 1251 N THR A 90 -0.510 -7.700 -2.743 1.00 0.00 N ATOM 1252 CA THR A 90 0.822 -7.109 -2.718 1.00 0.00 C ATOM 1253 C THR A 90 1.024 -6.159 -3.893 1.00 0.00 C ATOM 1254 O THR A 90 0.751 -6.509 -5.041 1.00 0.00 O ATOM 1255 CB THR A 90 1.917 -8.191 -2.753 1.00 0.00 C ATOM 1256 OG1 THR A 90 1.851 -8.915 -3.986 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.764 -9.154 -1.585 1.00 0.00 C ATOM 0 H THR A 90 -0.565 -8.596 -3.227 1.00 0.00 H new ATOM 0 HA THR A 90 0.903 -6.551 -1.785 1.00 0.00 H new ATOM 0 HB THR A 90 2.886 -7.698 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.552 -9.600 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.549 -9.909 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.844 -8.604 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.790 -9.639 -1.639 1.00 0.00 H new ATOM 1265 N GLY A 91 1.505 -4.955 -3.600 1.00 0.00 N ATOM 1266 CA GLY A 91 1.736 -3.974 -4.643 1.00 0.00 C ATOM 1267 C GLY A 91 2.967 -3.129 -4.382 1.00 0.00 C ATOM 1268 O GLY A 91 3.073 -2.479 -3.342 1.00 0.00 O ATOM 0 H GLY A 91 1.739 -4.642 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.846 -4.485 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.864 -3.325 -4.726 1.00 0.00 H new ATOM 1272 N ARG A 92 3.901 -3.139 -5.328 1.00 0.00 N ATOM 1273 CA ARG A 92 5.133 -2.370 -5.193 1.00 0.00 C ATOM 1274 C ARG A 92 4.991 -0.999 -5.848 1.00 0.00 C ATOM 1275 O ARG A 92 4.347 -0.859 -6.888 1.00 0.00 O ATOM 1276 CB ARG A 92 6.304 -3.128 -5.821 1.00 0.00 C ATOM 1277 CG ARG A 92 6.971 -4.110 -4.872 1.00 0.00 C ATOM 1278 CD ARG A 92 7.983 -3.416 -3.974 1.00 0.00 C ATOM 1279 NE ARG A 92 9.079 -4.305 -3.595 1.00 0.00 N ATOM 1280 CZ ARG A 92 10.105 -4.587 -4.390 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.175 -4.053 -5.601 1.00 0.00 N ATOM 1282 NH2 ARG A 92 11.063 -5.405 -3.974 1.00 0.00 N ATOM 0 H ARG A 92 3.828 -3.671 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 92 5.329 -2.228 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.948 -3.668 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.047 -2.410 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.213 -4.597 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.468 -4.892 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.385 -2.543 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.483 -3.054 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 92 9.055 -4.732 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.440 -3.424 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.964 -4.271 -6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.012 -5.818 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.850 -5.621 -4.585 1.00 0.00 H new ATOM 1296 N VAL A 93 5.598 0.011 -5.232 1.00 0.00 N ATOM 1297 CA VAL A 93 5.540 1.371 -5.755 1.00 0.00 C ATOM 1298 C VAL A 93 6.841 2.119 -5.484 1.00 0.00 C ATOM 1299 O VAL A 93 7.427 2.000 -4.407 1.00 0.00 O ATOM 1300 CB VAL A 93 4.370 2.160 -5.139 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.415 2.085 -3.620 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.396 3.606 -5.610 1.00 0.00 C ATOM 0 H VAL A 93 6.135 -0.087 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 93 5.387 1.290 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 93 3.436 1.709 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.580 2.649 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.344 1.044 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.353 2.509 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.562 4.149 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.334 4.071 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.310 3.636 -6.696 1.00 0.00 H new ATOM 1312 N THR A 94 7.288 2.892 -6.468 1.00 0.00 N ATOM 1313 CA THR A 94 8.520 3.660 -6.337 1.00 0.00 C ATOM 1314 C THR A 94 8.225 5.136 -6.098 1.00 0.00 C ATOM 1315 O THR A 94 7.763 5.842 -6.995 1.00 0.00 O ATOM 1316 CB THR A 94 9.404 3.522 -7.591 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.627 2.138 -7.884 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.739 4.225 -7.393 1.00 0.00 C ATOM 0 H THR A 94 6.815 3.003 -7.365 1.00 0.00 H new ATOM 0 HA THR A 94 9.055 3.255 -5.478 1.00 0.00 H new ATOM 0 HB THR A 94 8.885 3.991 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.240 1.758 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.346 4.114 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.567 5.284 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.261 3.782 -6.545 1.00 0.00 H new ATOM 1326 N THR A 95 8.495 5.599 -4.881 1.00 0.00 N ATOM 1327 CA THR A 95 8.259 6.992 -4.523 1.00 0.00 C ATOM 1328 C THR A 95 9.073 7.932 -5.404 1.00 0.00 C ATOM 1329 O THR A 95 10.212 7.632 -5.764 1.00 0.00 O ATOM 1330 CB THR A 95 8.607 7.259 -3.046 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.881 6.687 -2.732 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.543 6.680 -2.126 1.00 0.00 C ATOM 0 H THR A 95 8.877 5.029 -4.127 1.00 0.00 H new ATOM 0 HA THR A 95 7.197 7.183 -4.678 1.00 0.00 H new ATOM 0 HB THR A 95 8.647 8.338 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.046 6.764 -1.769 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.810 6.881 -1.089 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.580 7.140 -2.348 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.475 5.603 -2.281 1.00 0.00 H new ATOM 1340 N LYS A 96 8.484 9.072 -5.748 1.00 0.00 N ATOM 1341 CA LYS A 96 9.155 10.059 -6.585 1.00 0.00 C ATOM 1342 C LYS A 96 10.326 10.696 -5.843 1.00 0.00 C ATOM 1343 O LYS A 96 10.403 10.636 -4.616 1.00 0.00 O ATOM 1344 CB LYS A 96 8.167 11.142 -7.026 1.00 0.00 C ATOM 1345 CG LYS A 96 6.828 10.592 -7.485 1.00 0.00 C ATOM 1346 CD LYS A 96 6.191 11.482 -8.539 1.00 0.00 C ATOM 1347 CE LYS A 96 5.336 10.678 -9.506 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.392 11.545 -10.265 1.00 0.00 N ATOM 0 H LYS A 96 7.542 9.335 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 96 9.541 9.548 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.003 11.831 -6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.611 11.719 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.965 9.589 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.158 10.503 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.577 12.240 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.970 12.008 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.981 10.145 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.774 9.925 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.827 10.959 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.759 12.034 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.929 12.247 -10.812 1.00 0.00 H new ATOM 1362 N LYS A 97 11.235 11.307 -6.596 1.00 0.00 N ATOM 1363 CA LYS A 97 12.400 11.959 -6.010 1.00 0.00 C ATOM 1364 C LYS A 97 11.980 13.058 -5.040 1.00 0.00 C ATOM 1365 O LYS A 97 10.869 13.582 -5.125 1.00 0.00 O ATOM 1366 CB LYS A 97 13.288 12.546 -7.110 1.00 0.00 C ATOM 1367 CG LYS A 97 14.411 11.620 -7.545 1.00 0.00 C ATOM 1368 CD LYS A 97 15.671 11.849 -6.728 1.00 0.00 C ATOM 1369 CE LYS A 97 16.591 10.638 -6.770 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.563 10.720 -7.896 1.00 0.00 N ATOM 0 H LYS A 97 11.187 11.364 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 97 12.965 11.209 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.670 12.785 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.718 13.483 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.091 10.584 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.627 11.780 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.200 12.722 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.401 12.067 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.133 10.560 -5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.994 9.731 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.172 9.877 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.047 10.769 -8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.150 11.572 -7.787 1.00 0.00 H new ATOM 1384 N ALA A 98 12.874 13.404 -4.120 1.00 0.00 N ATOM 1385 CA ALA A 98 12.597 14.444 -3.137 1.00 0.00 C ATOM 1386 C ALA A 98 13.147 15.791 -3.593 1.00 0.00 C ATOM 1387 O ALA A 98 14.211 15.878 -4.207 1.00 0.00 O ATOM 1388 CB ALA A 98 13.182 14.062 -1.786 1.00 0.00 C ATOM 0 H ALA A 98 13.797 12.979 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 98 11.516 14.538 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.968 14.848 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.737 13.126 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.261 13.938 -1.879 1.00 0.00 H new