USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 Single : A 58 SER OG : rot -177:sc= 1.22 USER MOD Single : A 62 HIS : no HD1:sc= -16! C(o=-16!,f=-18!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.126 USER MOD Single : A 87 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.1!) USER MOD Single : A 90 MET CE :methyl 146:sc= -0.623 (180deg=-1.07) USER MOD Single : A 95 ASN : amide:sc= 0.85 K(o=0.85,f=-0.075) USER MOD Single : A 96 GLN : amide:sc= -0.0539 K(o=-0.054,f=-0.65) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 84:sc= 0.00313 USER MOD Single : A 110 MET CE :methyl -168:sc= 0 (180deg=-0.262) USER MOD Single : A 112 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -9.18! C(o=-9.2!,f=-10!) USER MOD Single : A 123 ASN : amide:sc= -0.644 X(o=-0.64,f=-0.17) USER MOD Single : A 124 GLN : amide:sc= -0.647 K(o=-0.65,f=-2.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N SER A 58 -2.409 10.840 1.114 1.00 0.00 N ATOM 161 CA SER A 58 -1.117 10.528 1.715 1.00 0.00 C ATOM 162 C SER A 58 -0.224 9.783 0.727 1.00 0.00 C ATOM 163 O SER A 58 -0.711 9.122 -0.190 1.00 0.00 O ATOM 164 CB SER A 58 -1.309 9.691 2.981 1.00 0.00 C ATOM 165 OG SER A 58 -0.228 9.871 3.880 1.00 0.00 O ATOM 0 HA SER A 58 -0.630 11.467 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.242 9.972 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.393 8.637 2.715 1.00 0.00 H new ATOM 0 HG SER A 58 -0.350 9.290 4.659 1.00 0.00 H new ATOM 171 N ARG A 59 1.086 9.894 0.923 1.00 0.00 N ATOM 172 CA ARG A 59 2.048 9.232 0.050 1.00 0.00 C ATOM 173 C ARG A 59 2.211 7.764 0.435 1.00 0.00 C ATOM 174 O ARG A 59 2.348 6.897 -0.427 1.00 0.00 O ATOM 175 CB ARG A 59 3.401 9.942 0.117 1.00 0.00 C ATOM 176 CG ARG A 59 3.370 11.365 -0.416 1.00 0.00 C ATOM 177 CD ARG A 59 4.772 11.931 -0.575 1.00 0.00 C ATOM 178 NE ARG A 59 5.386 12.244 0.713 1.00 0.00 N ATOM 179 CZ ARG A 59 6.374 13.119 0.863 1.00 0.00 C ATOM 180 NH1 ARG A 59 6.856 13.766 -0.189 1.00 0.00 N ATOM 181 NH2 ARG A 59 6.881 13.350 2.067 1.00 0.00 N ATOM 0 H ARG A 59 1.505 10.436 1.679 1.00 0.00 H new ATOM 0 HA ARG A 59 1.670 9.282 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.742 9.958 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.132 9.366 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.858 11.383 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.796 11.996 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.395 11.212 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.732 12.833 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 59 5.037 11.764 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.468 13.592 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.615 14.437 -0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.512 12.855 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.640 14.022 2.180 1.00 0.00 H new ATOM 195 N VAL A 60 2.195 7.495 1.737 1.00 0.00 N ATOM 196 CA VAL A 60 2.341 6.132 2.236 1.00 0.00 C ATOM 197 C VAL A 60 1.000 5.408 2.257 1.00 0.00 C ATOM 198 O VAL A 60 -0.005 5.952 2.716 1.00 0.00 O ATOM 199 CB VAL A 60 2.943 6.116 3.654 1.00 0.00 C ATOM 200 CG1 VAL A 60 3.155 4.686 4.128 1.00 0.00 C ATOM 201 CG2 VAL A 60 4.247 6.897 3.688 1.00 0.00 C ATOM 0 H VAL A 60 2.083 8.201 2.464 1.00 0.00 H new ATOM 0 HA VAL A 60 3.018 5.616 1.555 1.00 0.00 H new ATOM 0 HB VAL A 60 2.240 6.598 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.581 4.695 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.199 4.162 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.837 4.175 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.658 6.875 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.959 6.447 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.060 7.930 3.395 1.00 0.00 H new ATOM 211 N LEU A 61 0.991 4.177 1.756 1.00 0.00 N ATOM 212 CA LEU A 61 -0.227 3.376 1.717 1.00 0.00 C ATOM 213 C LEU A 61 -0.101 2.149 2.613 1.00 0.00 C ATOM 214 O LEU A 61 0.950 1.509 2.663 1.00 0.00 O ATOM 215 CB LEU A 61 -0.532 2.945 0.282 1.00 0.00 C ATOM 216 CG LEU A 61 -0.566 4.062 -0.762 1.00 0.00 C ATOM 217 CD1 LEU A 61 -0.674 3.480 -2.163 1.00 0.00 C ATOM 218 CD2 LEU A 61 -1.722 5.013 -0.487 1.00 0.00 C ATOM 0 H LEU A 61 1.814 3.712 1.371 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.048 3.990 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.216 2.213 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.497 2.438 0.274 1.00 0.00 H new ATOM 0 HG LEU A 61 0.365 4.624 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.697 4.290 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.186 2.840 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.589 2.893 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.731 5.802 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.662 4.463 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.601 5.456 0.502 1.00 0.00 H new ATOM 230 N HIS A 62 -1.180 1.823 3.318 1.00 0.00 N ATOM 231 CA HIS A 62 -1.191 0.669 4.210 1.00 0.00 C ATOM 232 C HIS A 62 -1.597 -0.596 3.459 1.00 0.00 C ATOM 233 O HIS A 62 -2.711 -0.693 2.945 1.00 0.00 O ATOM 234 CB HIS A 62 -2.146 0.910 5.379 1.00 0.00 C ATOM 235 CG HIS A 62 -2.350 -0.294 6.245 1.00 0.00 C ATOM 236 ND1 HIS A 62 -3.582 -0.667 6.740 1.00 0.00 N ATOM 237 CD2 HIS A 62 -1.469 -1.215 6.704 1.00 0.00 C ATOM 238 CE1 HIS A 62 -3.450 -1.762 7.466 1.00 0.00 C ATOM 239 NE2 HIS A 62 -2.177 -2.115 7.460 1.00 0.00 N ATOM 0 H HIS A 62 -2.058 2.342 3.289 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.181 0.532 4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.760 1.726 5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.111 1.234 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.407 -1.237 6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.247 -2.281 7.978 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.784 -2.925 7.939 1.00 0.00 H new ATOM 247 N ILE A 63 -0.684 -1.560 3.399 1.00 0.00 N ATOM 248 CA ILE A 63 -0.948 -2.817 2.711 1.00 0.00 C ATOM 249 C ILE A 63 -1.020 -3.978 3.696 1.00 0.00 C ATOM 250 O ILE A 63 -0.205 -4.081 4.613 1.00 0.00 O ATOM 251 CB ILE A 63 0.133 -3.121 1.656 1.00 0.00 C ATOM 252 CG1 ILE A 63 0.201 -1.992 0.624 1.00 0.00 C ATOM 253 CG2 ILE A 63 -0.147 -4.452 0.976 1.00 0.00 C ATOM 254 CD1 ILE A 63 1.472 -1.997 -0.195 1.00 0.00 C ATOM 0 H ILE A 63 0.244 -1.494 3.818 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.910 -2.706 2.211 1.00 0.00 H new ATOM 0 HB ILE A 63 1.099 -3.189 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.654 -2.072 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.114 -1.035 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.626 -4.651 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.149 -5.248 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.119 -4.412 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.451 -1.170 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.331 -1.886 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.551 -2.939 -0.738 1.00 0.00 H new ATOM 266 N ARG A 64 -2.001 -4.854 3.499 1.00 0.00 N ATOM 267 CA ARG A 64 -2.180 -6.010 4.370 1.00 0.00 C ATOM 268 C ARG A 64 -2.722 -7.202 3.588 1.00 0.00 C ATOM 269 O ARG A 64 -3.085 -7.078 2.418 1.00 0.00 O ATOM 270 CB ARG A 64 -3.129 -5.667 5.520 1.00 0.00 C ATOM 271 CG ARG A 64 -2.996 -4.235 6.012 1.00 0.00 C ATOM 272 CD ARG A 64 -3.880 -3.288 5.215 1.00 0.00 C ATOM 273 NE ARG A 64 -5.203 -3.140 5.814 1.00 0.00 N ATOM 274 CZ ARG A 64 -5.971 -2.068 5.644 1.00 0.00 C ATOM 275 NH1 ARG A 64 -5.548 -1.057 4.898 1.00 0.00 N ATOM 276 NH2 ARG A 64 -7.163 -2.007 6.222 1.00 0.00 N ATOM 0 H ARG A 64 -2.684 -4.785 2.744 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.206 -6.279 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.156 -5.837 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.940 -6.347 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.266 -4.185 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.956 -3.917 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.400 -2.312 5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.983 -3.660 4.196 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.557 -3.900 6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.631 -1.100 4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.139 -0.236 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.491 -2.783 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.752 -1.184 6.091 1.00 0.00 H new ATOM 290 N LYS A 65 -2.774 -8.358 4.241 1.00 0.00 N ATOM 291 CA LYS A 65 -3.273 -9.573 3.608 1.00 0.00 C ATOM 292 C LYS A 65 -2.400 -9.964 2.420 1.00 0.00 C ATOM 293 O LYS A 65 -2.888 -10.527 1.437 1.00 0.00 O ATOM 294 CB LYS A 65 -4.720 -9.377 3.150 1.00 0.00 C ATOM 295 CG LYS A 65 -5.739 -9.554 4.263 1.00 0.00 C ATOM 296 CD LYS A 65 -5.867 -11.009 4.677 1.00 0.00 C ATOM 297 CE LYS A 65 -6.773 -11.781 3.730 1.00 0.00 C ATOM 298 NZ LYS A 65 -6.787 -13.238 4.039 1.00 0.00 N ATOM 0 H LYS A 65 -2.476 -8.479 5.209 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.238 -10.377 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.826 -8.378 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.939 -10.086 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.445 -8.954 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.709 -9.183 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.880 -11.471 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.265 -11.066 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.787 -11.386 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.438 -11.631 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.416 -13.728 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.824 -13.621 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.131 -13.384 5.010 1.00 0.00 H new ATOM 312 N LEU A 66 -1.110 -9.666 2.514 1.00 0.00 N ATOM 313 CA LEU A 66 -0.169 -9.988 1.447 1.00 0.00 C ATOM 314 C LEU A 66 0.124 -11.484 1.414 1.00 0.00 C ATOM 315 O LEU A 66 0.190 -12.154 2.446 1.00 0.00 O ATOM 316 CB LEU A 66 1.133 -9.207 1.634 1.00 0.00 C ATOM 317 CG LEU A 66 1.048 -7.697 1.402 1.00 0.00 C ATOM 318 CD1 LEU A 66 2.371 -7.031 1.744 1.00 0.00 C ATOM 319 CD2 LEU A 66 0.657 -7.401 -0.039 1.00 0.00 C ATOM 0 H LEU A 66 -0.691 -9.201 3.319 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.623 -9.703 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.494 -9.379 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.881 -9.617 0.955 1.00 0.00 H new ATOM 0 HG LEU A 66 0.279 -7.289 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.293 -5.957 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.611 -7.215 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.159 -7.442 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.601 -6.322 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.404 -7.821 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.315 -7.847 -0.251 1.00 0.00 H new ATOM 331 N PRO A 67 0.305 -12.025 0.199 1.00 0.00 N ATOM 332 CA PRO A 67 0.597 -13.449 0.001 1.00 0.00 C ATOM 333 C PRO A 67 1.681 -13.955 0.946 1.00 0.00 C ATOM 334 O PRO A 67 2.680 -13.276 1.180 1.00 0.00 O ATOM 335 CB PRO A 67 1.080 -13.513 -1.450 1.00 0.00 C ATOM 336 CG PRO A 67 0.410 -12.364 -2.123 1.00 0.00 C ATOM 337 CD PRO A 67 0.240 -11.289 -1.074 1.00 0.00 C ATOM 0 HA PRO A 67 -0.272 -14.076 0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.165 -13.429 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.807 -14.459 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.010 -12.000 -2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.555 -12.663 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.026 -10.537 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.711 -10.768 -1.186 1.00 0.00 H new ATOM 345 N GLY A 68 1.476 -15.152 1.487 1.00 0.00 N ATOM 346 CA GLY A 68 2.445 -15.728 2.401 1.00 0.00 C ATOM 347 C GLY A 68 3.847 -15.745 1.824 1.00 0.00 C ATOM 348 O GLY A 68 4.091 -16.360 0.786 1.00 0.00 O ATOM 0 H GLY A 68 0.657 -15.733 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.445 -15.160 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.145 -16.746 2.649 1.00 0.00 H new ATOM 352 N GLU A 69 4.770 -15.066 2.497 1.00 0.00 N ATOM 353 CA GLU A 69 6.155 -15.004 2.042 1.00 0.00 C ATOM 354 C GLU A 69 6.248 -14.341 0.671 1.00 0.00 C ATOM 355 O GLU A 69 6.983 -14.801 -0.204 1.00 0.00 O ATOM 356 CB GLU A 69 6.760 -16.408 1.985 1.00 0.00 C ATOM 357 CG GLU A 69 7.420 -16.840 3.284 1.00 0.00 C ATOM 358 CD GLU A 69 6.445 -17.497 4.243 1.00 0.00 C ATOM 359 OE1 GLU A 69 5.728 -18.427 3.817 1.00 0.00 O ATOM 360 OE2 GLU A 69 6.400 -17.081 5.419 1.00 0.00 O ATOM 0 H GLU A 69 4.585 -14.552 3.358 1.00 0.00 H new ATOM 0 HA GLU A 69 6.719 -14.403 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.977 -17.122 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.497 -16.444 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.230 -17.535 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.868 -15.971 3.766 1.00 0.00 H new ATOM 367 N VAL A 70 5.498 -13.259 0.490 1.00 0.00 N ATOM 368 CA VAL A 70 5.495 -12.532 -0.773 1.00 0.00 C ATOM 369 C VAL A 70 6.781 -11.733 -0.951 1.00 0.00 C ATOM 370 O VAL A 70 7.294 -11.141 0.000 1.00 0.00 O ATOM 371 CB VAL A 70 4.292 -11.576 -0.869 1.00 0.00 C ATOM 372 CG1 VAL A 70 4.452 -10.418 0.105 1.00 0.00 C ATOM 373 CG2 VAL A 70 4.127 -11.068 -2.293 1.00 0.00 C ATOM 0 H VAL A 70 4.884 -12.866 1.203 1.00 0.00 H new ATOM 0 HA VAL A 70 5.421 -13.277 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 70 3.390 -12.125 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.593 -9.752 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.516 -10.804 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.362 -9.866 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.272 -10.394 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.028 -10.534 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.963 -11.912 -2.963 1.00 0.00 H new ATOM 383 N THR A 71 7.300 -11.719 -2.175 1.00 0.00 N ATOM 384 CA THR A 71 8.526 -10.992 -2.477 1.00 0.00 C ATOM 385 C THR A 71 8.227 -9.555 -2.889 1.00 0.00 C ATOM 386 O THR A 71 7.301 -9.301 -3.658 1.00 0.00 O ATOM 387 CB THR A 71 9.324 -11.681 -3.601 1.00 0.00 C ATOM 388 OG1 THR A 71 8.517 -11.790 -4.779 1.00 0.00 O ATOM 389 CG2 THR A 71 9.787 -13.064 -3.167 1.00 0.00 C ATOM 0 H THR A 71 6.890 -12.203 -2.973 1.00 0.00 H new ATOM 0 HA THR A 71 9.124 -10.988 -1.566 1.00 0.00 H new ATOM 0 HB THR A 71 10.202 -11.073 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.032 -12.227 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.348 -13.531 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.425 -12.975 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.920 -13.679 -2.925 1.00 0.00 H new ATOM 397 N GLU A 72 9.017 -8.620 -2.371 1.00 0.00 N ATOM 398 CA GLU A 72 8.835 -7.207 -2.686 1.00 0.00 C ATOM 399 C GLU A 72 8.500 -7.019 -4.162 1.00 0.00 C ATOM 400 O GLU A 72 7.559 -6.304 -4.511 1.00 0.00 O ATOM 401 CB GLU A 72 10.096 -6.417 -2.333 1.00 0.00 C ATOM 402 CG GLU A 72 10.494 -6.527 -0.871 1.00 0.00 C ATOM 403 CD GLU A 72 11.961 -6.217 -0.640 1.00 0.00 C ATOM 404 OE1 GLU A 72 12.792 -6.633 -1.475 1.00 0.00 O ATOM 405 OE2 GLU A 72 12.277 -5.561 0.374 1.00 0.00 O ATOM 0 H GLU A 72 9.788 -8.814 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 72 8.002 -6.832 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.921 -6.769 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.938 -5.367 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.885 -5.843 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.279 -7.534 -0.515 1.00 0.00 H new ATOM 412 N THR A 73 9.276 -7.664 -5.028 1.00 0.00 N ATOM 413 CA THR A 73 9.064 -7.566 -6.466 1.00 0.00 C ATOM 414 C THR A 73 7.577 -7.524 -6.800 1.00 0.00 C ATOM 415 O THR A 73 7.151 -6.773 -7.678 1.00 0.00 O ATOM 416 CB THR A 73 9.713 -8.748 -7.211 1.00 0.00 C ATOM 417 OG1 THR A 73 11.121 -8.775 -6.952 1.00 0.00 O ATOM 418 CG2 THR A 73 9.470 -8.641 -8.709 1.00 0.00 C ATOM 0 H THR A 73 10.058 -8.260 -4.757 1.00 0.00 H new ATOM 0 HA THR A 73 9.534 -6.638 -6.793 1.00 0.00 H new ATOM 0 HB THR A 73 9.259 -9.671 -6.850 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.527 -9.530 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.937 -9.486 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.398 -8.648 -8.905 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.901 -7.712 -9.082 1.00 0.00 H new ATOM 426 N GLU A 74 6.794 -8.334 -6.096 1.00 0.00 N ATOM 427 CA GLU A 74 5.354 -8.388 -6.320 1.00 0.00 C ATOM 428 C GLU A 74 4.712 -7.028 -6.064 1.00 0.00 C ATOM 429 O GLU A 74 4.217 -6.379 -6.987 1.00 0.00 O ATOM 430 CB GLU A 74 4.714 -9.445 -5.417 1.00 0.00 C ATOM 431 CG GLU A 74 4.715 -10.840 -6.017 1.00 0.00 C ATOM 432 CD GLU A 74 3.624 -11.723 -5.442 1.00 0.00 C ATOM 433 OE1 GLU A 74 2.546 -11.190 -5.108 1.00 0.00 O ATOM 434 OE2 GLU A 74 3.849 -12.946 -5.326 1.00 0.00 O ATOM 0 H GLU A 74 7.132 -8.962 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 74 5.184 -8.660 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.245 -9.468 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.686 -9.152 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.587 -10.767 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.685 -11.306 -5.842 1.00 0.00 H new ATOM 441 N VAL A 75 4.723 -6.602 -4.805 1.00 0.00 N ATOM 442 CA VAL A 75 4.144 -5.319 -4.427 1.00 0.00 C ATOM 443 C VAL A 75 4.705 -4.189 -5.281 1.00 0.00 C ATOM 444 O VAL A 75 3.976 -3.284 -5.690 1.00 0.00 O ATOM 445 CB VAL A 75 4.401 -5.002 -2.942 1.00 0.00 C ATOM 446 CG1 VAL A 75 3.723 -3.700 -2.548 1.00 0.00 C ATOM 447 CG2 VAL A 75 3.925 -6.149 -2.062 1.00 0.00 C ATOM 0 H VAL A 75 5.127 -7.127 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 75 3.070 -5.397 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 75 5.474 -4.883 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.916 -3.493 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.117 -2.886 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.648 -3.786 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.114 -5.908 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.856 -6.303 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.463 -7.059 -2.328 1.00 0.00 H new ATOM 457 N ILE A 76 6.006 -4.246 -5.548 1.00 0.00 N ATOM 458 CA ILE A 76 6.665 -3.227 -6.356 1.00 0.00 C ATOM 459 C ILE A 76 6.088 -3.186 -7.766 1.00 0.00 C ATOM 460 O ILE A 76 5.633 -2.141 -8.231 1.00 0.00 O ATOM 461 CB ILE A 76 8.184 -3.472 -6.440 1.00 0.00 C ATOM 462 CG1 ILE A 76 8.798 -3.492 -5.040 1.00 0.00 C ATOM 463 CG2 ILE A 76 8.845 -2.404 -7.299 1.00 0.00 C ATOM 464 CD1 ILE A 76 10.234 -3.967 -5.016 1.00 0.00 C ATOM 0 H ILE A 76 6.624 -4.987 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 76 6.486 -2.270 -5.866 1.00 0.00 H new ATOM 0 HB ILE A 76 8.356 -4.443 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.749 -2.489 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.199 -4.139 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.918 -2.590 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.424 -2.434 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.667 -1.422 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.604 -3.955 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.288 -4.982 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.846 -3.307 -5.630 1.00 0.00 H new ATOM 476 N ALA A 77 6.111 -4.330 -8.443 1.00 0.00 N ATOM 477 CA ALA A 77 5.587 -4.425 -9.800 1.00 0.00 C ATOM 478 C ALA A 77 4.167 -3.876 -9.880 1.00 0.00 C ATOM 479 O ALA A 77 3.685 -3.527 -10.958 1.00 0.00 O ATOM 480 CB ALA A 77 5.624 -5.869 -10.278 1.00 0.00 C ATOM 0 H ALA A 77 6.487 -5.203 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 77 6.219 -3.821 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.230 -5.927 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.653 -6.230 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.016 -6.487 -9.617 1.00 0.00 H new ATOM 486 N LEU A 78 3.501 -3.802 -8.732 1.00 0.00 N ATOM 487 CA LEU A 78 2.134 -3.294 -8.672 1.00 0.00 C ATOM 488 C LEU A 78 2.123 -1.782 -8.479 1.00 0.00 C ATOM 489 O LEU A 78 1.156 -1.107 -8.833 1.00 0.00 O ATOM 490 CB LEU A 78 1.368 -3.971 -7.536 1.00 0.00 C ATOM 491 CG LEU A 78 1.172 -5.483 -7.664 1.00 0.00 C ATOM 492 CD1 LEU A 78 0.666 -6.068 -6.354 1.00 0.00 C ATOM 493 CD2 LEU A 78 0.212 -5.802 -8.800 1.00 0.00 C ATOM 0 H LEU A 78 3.885 -4.087 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 78 1.645 -3.523 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.892 -3.771 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.387 -3.503 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 78 2.136 -5.938 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.532 -7.144 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.390 -5.871 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.288 -5.609 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.085 -6.882 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.753 -5.336 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.616 -5.417 -9.736 1.00 0.00 H new ATOM 505 N GLY A 79 3.205 -1.254 -7.916 1.00 0.00 N ATOM 506 CA GLY A 79 3.301 0.176 -7.687 1.00 0.00 C ATOM 507 C GLY A 79 4.023 0.896 -8.808 1.00 0.00 C ATOM 508 O GLY A 79 3.864 2.104 -8.984 1.00 0.00 O ATOM 0 H GLY A 79 4.018 -1.791 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.299 0.591 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.824 0.356 -6.748 1.00 0.00 H new ATOM 512 N LEU A 80 4.821 0.154 -9.568 1.00 0.00 N ATOM 513 CA LEU A 80 5.573 0.729 -10.678 1.00 0.00 C ATOM 514 C LEU A 80 4.632 1.305 -11.732 1.00 0.00 C ATOM 515 O LEU A 80 4.859 2.385 -12.278 1.00 0.00 O ATOM 516 CB LEU A 80 6.479 -0.330 -11.309 1.00 0.00 C ATOM 517 CG LEU A 80 7.799 -0.600 -10.588 1.00 0.00 C ATOM 518 CD1 LEU A 80 8.418 -1.901 -11.076 1.00 0.00 C ATOM 519 CD2 LEU A 80 8.763 0.559 -10.788 1.00 0.00 C ATOM 0 H LEU A 80 4.964 -0.847 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 80 6.190 1.538 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.923 -1.266 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.702 -0.026 -12.332 1.00 0.00 H new ATOM 0 HG LEU A 80 7.595 -0.696 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.357 -2.076 -10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.733 -2.726 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.608 -1.834 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.697 0.349 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.961 0.688 -11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.322 1.472 -10.388 1.00 0.00 H new ATOM 531 N PRO A 81 3.549 0.569 -12.024 1.00 0.00 N ATOM 532 CA PRO A 81 2.552 0.988 -13.013 1.00 0.00 C ATOM 533 C PRO A 81 2.113 2.435 -12.815 1.00 0.00 C ATOM 534 O PRO A 81 2.118 3.230 -13.757 1.00 0.00 O ATOM 535 CB PRO A 81 1.381 0.035 -12.760 1.00 0.00 C ATOM 536 CG PRO A 81 2.003 -1.180 -12.166 1.00 0.00 C ATOM 537 CD PRO A 81 3.216 -0.728 -11.412 1.00 0.00 C ATOM 0 HA PRO A 81 2.942 0.946 -14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.650 0.477 -12.083 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.856 -0.201 -13.685 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.303 -1.686 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.276 -1.893 -12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.009 -0.626 -10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.036 -1.439 -11.511 1.00 0.00 H new ATOM 545 N PHE A 82 1.733 2.772 -11.587 1.00 0.00 N ATOM 546 CA PHE A 82 1.290 4.124 -11.267 1.00 0.00 C ATOM 547 C PHE A 82 2.455 5.107 -11.333 1.00 0.00 C ATOM 548 O PHE A 82 2.339 6.186 -11.912 1.00 0.00 O ATOM 549 CB PHE A 82 0.655 4.159 -9.876 1.00 0.00 C ATOM 550 CG PHE A 82 -0.505 3.217 -9.722 1.00 0.00 C ATOM 551 CD1 PHE A 82 -1.671 3.410 -10.444 1.00 0.00 C ATOM 552 CD2 PHE A 82 -0.428 2.139 -8.855 1.00 0.00 C ATOM 553 CE1 PHE A 82 -2.739 2.545 -10.304 1.00 0.00 C ATOM 554 CE2 PHE A 82 -1.493 1.271 -8.711 1.00 0.00 C ATOM 555 CZ PHE A 82 -2.651 1.473 -9.437 1.00 0.00 C ATOM 0 H PHE A 82 1.723 2.127 -10.797 1.00 0.00 H new ATOM 0 HA PHE A 82 0.545 4.421 -12.006 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.414 3.913 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.319 5.174 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.746 4.246 -11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.475 1.975 -8.285 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.643 2.707 -10.872 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.420 0.435 -8.031 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.485 0.795 -9.327 1.00 0.00 H new ATOM 565 N GLY A 83 3.578 4.726 -10.733 1.00 0.00 N ATOM 566 CA GLY A 83 4.748 5.584 -10.732 1.00 0.00 C ATOM 567 C GLY A 83 6.029 4.819 -10.468 1.00 0.00 C ATOM 568 O GLY A 83 6.596 4.209 -11.374 1.00 0.00 O ATOM 0 H GLY A 83 3.699 3.837 -10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.823 6.091 -11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.627 6.357 -9.973 1.00 0.00 H new ATOM 572 N LYS A 84 6.489 4.852 -9.221 1.00 0.00 N ATOM 573 CA LYS A 84 7.712 4.157 -8.838 1.00 0.00 C ATOM 574 C LYS A 84 7.840 4.078 -7.321 1.00 0.00 C ATOM 575 O LYS A 84 7.616 5.063 -6.616 1.00 0.00 O ATOM 576 CB LYS A 84 8.934 4.867 -9.428 1.00 0.00 C ATOM 577 CG LYS A 84 10.196 4.022 -9.409 1.00 0.00 C ATOM 578 CD LYS A 84 11.443 4.887 -9.329 1.00 0.00 C ATOM 579 CE LYS A 84 12.683 4.052 -9.050 1.00 0.00 C ATOM 580 NZ LYS A 84 13.229 3.437 -10.291 1.00 0.00 N ATOM 0 H LYS A 84 6.033 5.353 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 84 7.663 3.143 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.715 5.155 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.114 5.786 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.168 3.343 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.236 3.406 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.572 5.430 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.320 5.632 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.447 4.679 -8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.439 3.268 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.073 2.876 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.510 2.819 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.486 4.186 -10.965 1.00 0.00 H new ATOM 594 N VAL A 85 8.205 2.901 -6.822 1.00 0.00 N ATOM 595 CA VAL A 85 8.366 2.695 -5.388 1.00 0.00 C ATOM 596 C VAL A 85 9.706 3.236 -4.902 1.00 0.00 C ATOM 597 O VAL A 85 10.766 2.783 -5.334 1.00 0.00 O ATOM 598 CB VAL A 85 8.265 1.202 -5.020 1.00 0.00 C ATOM 599 CG1 VAL A 85 8.580 0.993 -3.548 1.00 0.00 C ATOM 600 CG2 VAL A 85 6.884 0.663 -5.360 1.00 0.00 C ATOM 0 H VAL A 85 8.395 2.076 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 85 7.558 3.238 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 85 9.000 0.650 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.504 -0.067 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.592 1.341 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.871 1.555 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.830 -0.393 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.130 1.217 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.702 0.778 -6.429 1.00 0.00 H new ATOM 610 N THR A 86 9.651 4.211 -3.998 1.00 0.00 N ATOM 611 CA THR A 86 10.860 4.817 -3.453 1.00 0.00 C ATOM 612 C THR A 86 11.201 4.229 -2.089 1.00 0.00 C ATOM 613 O THR A 86 12.364 3.956 -1.794 1.00 0.00 O ATOM 614 CB THR A 86 10.712 6.344 -3.319 1.00 0.00 C ATOM 615 OG1 THR A 86 9.633 6.655 -2.431 1.00 0.00 O ATOM 616 CG2 THR A 86 10.459 6.984 -4.676 1.00 0.00 C ATOM 0 H THR A 86 8.782 4.597 -3.628 1.00 0.00 H new ATOM 0 HA THR A 86 11.667 4.598 -4.153 1.00 0.00 H new ATOM 0 HB THR A 86 11.642 6.743 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.954 5.950 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.358 8.063 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.296 6.770 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.542 6.579 -5.104 1.00 0.00 H new ATOM 624 N ASN A 87 10.180 4.034 -1.261 1.00 0.00 N ATOM 625 CA ASN A 87 10.374 3.478 0.073 1.00 0.00 C ATOM 626 C ASN A 87 9.308 2.432 0.386 1.00 0.00 C ATOM 627 O ASN A 87 8.111 2.710 0.314 1.00 0.00 O ATOM 628 CB ASN A 87 10.336 4.591 1.123 1.00 0.00 C ATOM 629 CG ASN A 87 11.681 5.269 1.296 1.00 0.00 C ATOM 630 OD1 ASN A 87 12.726 4.622 1.235 1.00 0.00 O ATOM 631 ND2 ASN A 87 11.659 6.579 1.511 1.00 0.00 N ATOM 0 H ASN A 87 9.210 4.253 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 87 11.351 2.995 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.592 5.334 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.017 4.175 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.533 7.090 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.768 7.074 1.554 1.00 0.00 H new ATOM 638 N ILE A 88 9.752 1.228 0.733 1.00 0.00 N ATOM 639 CA ILE A 88 8.837 0.142 1.058 1.00 0.00 C ATOM 640 C ILE A 88 9.129 -0.429 2.442 1.00 0.00 C ATOM 641 O ILE A 88 10.266 -0.386 2.915 1.00 0.00 O ATOM 642 CB ILE A 88 8.918 -0.993 0.020 1.00 0.00 C ATOM 643 CG1 ILE A 88 7.968 -2.130 0.400 1.00 0.00 C ATOM 644 CG2 ILE A 88 10.346 -1.504 -0.094 1.00 0.00 C ATOM 645 CD1 ILE A 88 7.923 -3.246 -0.620 1.00 0.00 C ATOM 0 H ILE A 88 10.740 0.981 0.796 1.00 0.00 H new ATOM 0 HA ILE A 88 7.832 0.564 1.046 1.00 0.00 H new ATOM 0 HB ILE A 88 8.614 -0.601 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.273 -2.541 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.964 -1.726 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.388 -2.306 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.000 -0.690 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.675 -1.883 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.229 -4.017 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.589 -2.849 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.918 -3.677 -0.732 1.00 0.00 H new ATOM 657 N LEU A 89 8.098 -0.964 3.086 1.00 0.00 N ATOM 658 CA LEU A 89 8.245 -1.545 4.416 1.00 0.00 C ATOM 659 C LEU A 89 7.482 -2.861 4.522 1.00 0.00 C ATOM 660 O LEU A 89 6.256 -2.889 4.421 1.00 0.00 O ATOM 661 CB LEU A 89 7.745 -0.566 5.480 1.00 0.00 C ATOM 662 CG LEU A 89 7.527 -1.147 6.878 1.00 0.00 C ATOM 663 CD1 LEU A 89 8.860 -1.462 7.539 1.00 0.00 C ATOM 664 CD2 LEU A 89 6.717 -0.185 7.735 1.00 0.00 C ATOM 0 H LEU A 89 7.151 -1.008 2.709 1.00 0.00 H new ATOM 0 HA LEU A 89 9.303 -1.745 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.460 0.253 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.804 -0.136 5.136 1.00 0.00 H new ATOM 0 HG LEU A 89 6.965 -2.076 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.685 -1.874 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.403 -2.189 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.449 -0.549 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.572 -0.615 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.251 0.761 7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.747 -0.011 7.269 1.00 0.00 H new ATOM 676 N MET A 90 8.217 -3.950 4.727 1.00 0.00 N ATOM 677 CA MET A 90 7.608 -5.269 4.850 1.00 0.00 C ATOM 678 C MET A 90 7.772 -5.814 6.266 1.00 0.00 C ATOM 679 O MET A 90 8.874 -5.816 6.817 1.00 0.00 O ATOM 680 CB MET A 90 8.233 -6.238 3.844 1.00 0.00 C ATOM 681 CG MET A 90 7.725 -7.664 3.977 1.00 0.00 C ATOM 682 SD MET A 90 7.822 -8.585 2.430 1.00 0.00 S ATOM 683 CE MET A 90 6.549 -7.771 1.470 1.00 0.00 C ATOM 0 H MET A 90 9.234 -3.945 4.811 1.00 0.00 H new ATOM 0 HA MET A 90 6.543 -5.171 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.030 -5.881 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.315 -6.233 3.972 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.305 -8.182 4.740 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.691 -7.646 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.842 -7.750 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.611 -8.316 1.573 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.418 -6.751 1.831 1.00 0.00 H new ATOM 693 N LEU A 91 6.670 -6.274 6.849 1.00 0.00 N ATOM 694 CA LEU A 91 6.692 -6.821 8.202 1.00 0.00 C ATOM 695 C LEU A 91 6.678 -8.346 8.172 1.00 0.00 C ATOM 696 O LEU A 91 6.048 -8.955 7.307 1.00 0.00 O ATOM 697 CB LEU A 91 5.496 -6.302 9.001 1.00 0.00 C ATOM 698 CG LEU A 91 5.581 -4.850 9.471 1.00 0.00 C ATOM 699 CD1 LEU A 91 4.255 -4.402 10.065 1.00 0.00 C ATOM 700 CD2 LEU A 91 6.705 -4.682 10.483 1.00 0.00 C ATOM 0 H LEU A 91 5.751 -6.279 6.407 1.00 0.00 H new ATOM 0 HA LEU A 91 7.613 -6.495 8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.601 -6.413 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.365 -6.939 9.876 1.00 0.00 H new ATOM 0 HG LEU A 91 5.799 -4.221 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.335 -3.366 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.472 -4.484 9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.006 -5.035 10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.751 -3.642 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.517 -5.322 11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.653 -4.961 10.023 1.00 0.00 H new ATOM 763 N ASN A 95 0.802 -10.805 7.913 1.00 0.00 N ATOM 764 CA ASN A 95 0.760 -10.138 6.617 1.00 0.00 C ATOM 765 C ASN A 95 0.520 -8.641 6.784 1.00 0.00 C ATOM 766 O ASN A 95 -0.595 -8.212 7.075 1.00 0.00 O ATOM 767 CB ASN A 95 -0.335 -10.748 5.741 1.00 0.00 C ATOM 768 CG ASN A 95 -1.511 -11.254 6.554 1.00 0.00 C ATOM 769 OD1 ASN A 95 -1.716 -12.461 6.686 1.00 0.00 O ATOM 770 ND2 ASN A 95 -2.292 -10.330 7.103 1.00 0.00 N ATOM 0 HA ASN A 95 1.725 -10.281 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.684 -10.001 5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.083 -11.571 5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.099 -10.610 7.660 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.084 -9.341 6.967 1.00 0.00 H new ATOM 777 N GLN A 96 1.574 -7.853 6.596 1.00 0.00 N ATOM 778 CA GLN A 96 1.476 -6.404 6.725 1.00 0.00 C ATOM 779 C GLN A 96 2.667 -5.717 6.065 1.00 0.00 C ATOM 780 O GLN A 96 3.803 -6.173 6.184 1.00 0.00 O ATOM 781 CB GLN A 96 1.397 -6.007 8.200 1.00 0.00 C ATOM 782 CG GLN A 96 0.087 -6.396 8.865 1.00 0.00 C ATOM 783 CD GLN A 96 -0.176 -5.615 10.137 1.00 0.00 C ATOM 784 OE1 GLN A 96 0.077 -4.412 10.205 1.00 0.00 O ATOM 785 NE2 GLN A 96 -0.689 -6.296 11.156 1.00 0.00 N ATOM 0 H GLN A 96 2.505 -8.193 6.354 1.00 0.00 H new ATOM 0 HA GLN A 96 0.567 -6.080 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.221 -6.475 8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.532 -4.929 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.733 -6.232 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.103 -7.462 9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.884 -7.292 11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.888 -5.822 12.037 1.00 0.00 H new ATOM 794 N ALA A 97 2.398 -4.619 5.366 1.00 0.00 N ATOM 795 CA ALA A 97 3.447 -3.868 4.689 1.00 0.00 C ATOM 796 C ALA A 97 2.952 -2.487 4.271 1.00 0.00 C ATOM 797 O ALA A 97 1.751 -2.267 4.121 1.00 0.00 O ATOM 798 CB ALA A 97 3.950 -4.639 3.478 1.00 0.00 C ATOM 0 H ALA A 97 1.462 -4.230 5.254 1.00 0.00 H new ATOM 0 HA ALA A 97 4.272 -3.733 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.733 -4.066 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.351 -5.600 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.126 -4.804 2.784 1.00 0.00 H new ATOM 804 N PHE A 98 3.886 -1.560 4.084 1.00 0.00 N ATOM 805 CA PHE A 98 3.545 -0.200 3.685 1.00 0.00 C ATOM 806 C PHE A 98 4.394 0.248 2.499 1.00 0.00 C ATOM 807 O PHE A 98 5.614 0.080 2.496 1.00 0.00 O ATOM 808 CB PHE A 98 3.738 0.763 4.858 1.00 0.00 C ATOM 809 CG PHE A 98 2.984 0.361 6.094 1.00 0.00 C ATOM 810 CD1 PHE A 98 3.393 -0.727 6.848 1.00 0.00 C ATOM 811 CD2 PHE A 98 1.866 1.070 6.500 1.00 0.00 C ATOM 812 CE1 PHE A 98 2.701 -1.099 7.985 1.00 0.00 C ATOM 813 CE2 PHE A 98 1.168 0.702 7.636 1.00 0.00 C ATOM 814 CZ PHE A 98 1.588 -0.383 8.380 1.00 0.00 C ATOM 0 H PHE A 98 4.885 -1.726 4.203 1.00 0.00 H new ATOM 0 HA PHE A 98 2.497 -0.189 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.800 0.827 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.419 1.760 4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.262 -1.291 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.535 1.921 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.030 -1.949 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.296 1.262 7.941 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.047 -0.671 9.269 1.00 0.00 H new ATOM 824 N LEU A 99 3.741 0.818 1.493 1.00 0.00 N ATOM 825 CA LEU A 99 4.435 1.291 0.300 1.00 0.00 C ATOM 826 C LEU A 99 4.375 2.813 0.202 1.00 0.00 C ATOM 827 O LEU A 99 3.392 3.431 0.609 1.00 0.00 O ATOM 828 CB LEU A 99 3.822 0.664 -0.953 1.00 0.00 C ATOM 829 CG LEU A 99 4.699 0.671 -2.206 1.00 0.00 C ATOM 830 CD1 LEU A 99 5.719 -0.456 -2.149 1.00 0.00 C ATOM 831 CD2 LEU A 99 3.842 0.555 -3.458 1.00 0.00 C ATOM 0 H LEU A 99 2.732 0.964 1.479 1.00 0.00 H new ATOM 0 HA LEU A 99 5.480 0.991 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.557 -0.368 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.894 1.189 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 99 5.236 1.619 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.334 -0.436 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.354 -0.328 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.201 -1.413 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.483 0.562 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.277 -0.377 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.151 1.397 -3.505 1.00 0.00 H new ATOM 843 N GLU A 100 5.432 3.407 -0.342 1.00 0.00 N ATOM 844 CA GLU A 100 5.498 4.856 -0.493 1.00 0.00 C ATOM 845 C GLU A 100 5.974 5.234 -1.893 1.00 0.00 C ATOM 846 O GLU A 100 7.147 5.066 -2.229 1.00 0.00 O ATOM 847 CB GLU A 100 6.435 5.459 0.556 1.00 0.00 C ATOM 848 CG GLU A 100 6.689 6.944 0.362 1.00 0.00 C ATOM 849 CD GLU A 100 7.457 7.560 1.516 1.00 0.00 C ATOM 850 OE1 GLU A 100 7.049 7.354 2.678 1.00 0.00 O ATOM 851 OE2 GLU A 100 8.467 8.248 1.256 1.00 0.00 O ATOM 0 H GLU A 100 6.253 2.908 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 100 4.495 5.257 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.010 5.298 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.387 4.929 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.246 7.096 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.736 7.460 0.248 1.00 0.00 H new ATOM 858 N LEU A 101 5.056 5.747 -2.706 1.00 0.00 N ATOM 859 CA LEU A 101 5.381 6.150 -4.070 1.00 0.00 C ATOM 860 C LEU A 101 6.207 7.431 -4.076 1.00 0.00 C ATOM 861 O LEU A 101 6.136 8.232 -3.145 1.00 0.00 O ATOM 862 CB LEU A 101 4.099 6.352 -4.881 1.00 0.00 C ATOM 863 CG LEU A 101 3.422 5.079 -5.392 1.00 0.00 C ATOM 864 CD1 LEU A 101 2.635 4.409 -4.276 1.00 0.00 C ATOM 865 CD2 LEU A 101 2.513 5.396 -6.571 1.00 0.00 C ATOM 0 H LEU A 101 4.081 5.894 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 101 5.972 5.356 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.385 6.897 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.330 6.986 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 101 4.195 4.389 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.160 3.505 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.310 4.148 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.870 5.093 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.039 4.479 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.746 6.104 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.102 5.832 -7.378 1.00 0.00 H new ATOM 877 N ALA A 102 6.990 7.618 -5.134 1.00 0.00 N ATOM 878 CA ALA A 102 7.827 8.805 -5.265 1.00 0.00 C ATOM 879 C ALA A 102 7.098 10.048 -4.767 1.00 0.00 C ATOM 880 O ALA A 102 7.614 10.791 -3.930 1.00 0.00 O ATOM 881 CB ALA A 102 8.260 8.989 -6.712 1.00 0.00 C ATOM 0 H ALA A 102 7.062 6.963 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 102 8.714 8.664 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.884 9.879 -6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.827 8.116 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.379 9.104 -7.344 1.00 0.00 H new ATOM 887 N THR A 103 5.895 10.272 -5.287 1.00 0.00 N ATOM 888 CA THR A 103 5.097 11.427 -4.896 1.00 0.00 C ATOM 889 C THR A 103 3.658 11.024 -4.596 1.00 0.00 C ATOM 890 O THR A 103 3.238 9.909 -4.905 1.00 0.00 O ATOM 891 CB THR A 103 5.096 12.507 -5.994 1.00 0.00 C ATOM 892 OG1 THR A 103 4.619 11.954 -7.226 1.00 0.00 O ATOM 893 CG2 THR A 103 6.494 13.074 -6.195 1.00 0.00 C ATOM 0 H THR A 103 5.452 9.668 -5.980 1.00 0.00 H new ATOM 0 HA THR A 103 5.553 11.836 -3.995 1.00 0.00 H new ATOM 0 HB THR A 103 4.434 13.314 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.620 12.648 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.469 13.835 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.843 13.520 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.172 12.274 -6.490 1.00 0.00 H new ATOM 901 N GLU A 104 2.905 11.938 -3.992 1.00 0.00 N ATOM 902 CA GLU A 104 1.513 11.677 -3.651 1.00 0.00 C ATOM 903 C GLU A 104 0.663 11.520 -4.909 1.00 0.00 C ATOM 904 O GLU A 104 -0.158 10.609 -5.005 1.00 0.00 O ATOM 905 CB GLU A 104 0.955 12.808 -2.784 1.00 0.00 C ATOM 906 CG GLU A 104 0.916 14.154 -3.490 1.00 0.00 C ATOM 907 CD GLU A 104 0.272 15.236 -2.648 1.00 0.00 C ATOM 908 OE1 GLU A 104 0.995 15.891 -1.867 1.00 0.00 O ATOM 909 OE2 GLU A 104 -0.956 15.431 -2.769 1.00 0.00 O ATOM 0 H GLU A 104 3.237 12.866 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 104 1.474 10.744 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.053 12.546 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.562 12.897 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.932 14.455 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.367 14.053 -4.426 1.00 0.00 H new ATOM 916 N GLU A 105 0.868 12.415 -5.870 1.00 0.00 N ATOM 917 CA GLU A 105 0.122 12.377 -7.122 1.00 0.00 C ATOM 918 C GLU A 105 -0.101 10.937 -7.578 1.00 0.00 C ATOM 919 O GLU A 105 -1.194 10.575 -8.011 1.00 0.00 O ATOM 920 CB GLU A 105 0.863 13.159 -8.208 1.00 0.00 C ATOM 921 CG GLU A 105 -0.050 13.711 -9.290 1.00 0.00 C ATOM 922 CD GLU A 105 0.714 14.195 -10.507 1.00 0.00 C ATOM 923 OE1 GLU A 105 1.573 13.440 -11.008 1.00 0.00 O ATOM 924 OE2 GLU A 105 0.453 15.331 -10.958 1.00 0.00 O ATOM 0 H GLU A 105 1.545 13.175 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.849 12.841 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.404 13.984 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.607 12.509 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.757 12.938 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.635 14.535 -8.881 1.00 0.00 H new ATOM 931 N ALA A 106 0.944 10.123 -7.477 1.00 0.00 N ATOM 932 CA ALA A 106 0.863 8.724 -7.879 1.00 0.00 C ATOM 933 C ALA A 106 -0.023 7.930 -6.925 1.00 0.00 C ATOM 934 O ALA A 106 -0.880 7.158 -7.356 1.00 0.00 O ATOM 935 CB ALA A 106 2.254 8.111 -7.942 1.00 0.00 C ATOM 0 H ALA A 106 1.856 10.408 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 106 0.414 8.682 -8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.178 7.066 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.859 8.655 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.723 8.172 -6.960 1.00 0.00 H new ATOM 941 N ALA A 107 0.188 8.124 -5.627 1.00 0.00 N ATOM 942 CA ALA A 107 -0.593 7.428 -4.613 1.00 0.00 C ATOM 943 C ALA A 107 -2.087 7.641 -4.828 1.00 0.00 C ATOM 944 O ALA A 107 -2.859 6.682 -4.876 1.00 0.00 O ATOM 945 CB ALA A 107 -0.187 7.893 -3.222 1.00 0.00 C ATOM 0 H ALA A 107 0.894 8.758 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.388 6.361 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.779 7.365 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.871 7.683 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.362 8.965 -3.131 1.00 0.00 H new ATOM 951 N ILE A 108 -2.488 8.900 -4.957 1.00 0.00 N ATOM 952 CA ILE A 108 -3.891 9.238 -5.168 1.00 0.00 C ATOM 953 C ILE A 108 -4.484 8.429 -6.317 1.00 0.00 C ATOM 954 O ILE A 108 -5.509 7.764 -6.159 1.00 0.00 O ATOM 955 CB ILE A 108 -4.071 10.738 -5.465 1.00 0.00 C ATOM 956 CG1 ILE A 108 -3.560 11.578 -4.291 1.00 0.00 C ATOM 957 CG2 ILE A 108 -5.532 11.050 -5.750 1.00 0.00 C ATOM 958 CD1 ILE A 108 -3.294 13.022 -4.652 1.00 0.00 C ATOM 0 H ILE A 108 -1.862 9.704 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.416 8.994 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.487 10.991 -6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.292 11.543 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.642 11.132 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.643 12.114 -5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.865 10.475 -6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.137 10.785 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.935 13.557 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.540 13.068 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.215 13.484 -5.006 1.00 0.00 H new ATOM 970 N THR A 109 -3.832 8.488 -7.474 1.00 0.00 N ATOM 971 CA THR A 109 -4.294 7.761 -8.650 1.00 0.00 C ATOM 972 C THR A 109 -4.247 6.256 -8.419 1.00 0.00 C ATOM 973 O THR A 109 -5.126 5.521 -8.868 1.00 0.00 O ATOM 974 CB THR A 109 -3.449 8.106 -9.891 1.00 0.00 C ATOM 975 OG1 THR A 109 -3.512 9.512 -10.152 1.00 0.00 O ATOM 976 CG2 THR A 109 -3.938 7.336 -11.108 1.00 0.00 C ATOM 0 H THR A 109 -2.982 9.032 -7.622 1.00 0.00 H new ATOM 0 HA THR A 109 -5.325 8.066 -8.826 1.00 0.00 H new ATOM 0 HB THR A 109 -2.416 7.821 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.846 9.977 -9.603 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.327 7.595 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.860 6.266 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.978 7.594 -11.308 1.00 0.00 H new ATOM 984 N MET A 110 -3.215 5.802 -7.714 1.00 0.00 N ATOM 985 CA MET A 110 -3.055 4.382 -7.422 1.00 0.00 C ATOM 986 C MET A 110 -4.310 3.817 -6.765 1.00 0.00 C ATOM 987 O MET A 110 -4.998 2.973 -7.338 1.00 0.00 O ATOM 988 CB MET A 110 -1.845 4.160 -6.514 1.00 0.00 C ATOM 989 CG MET A 110 -1.783 2.765 -5.913 1.00 0.00 C ATOM 990 SD MET A 110 -0.099 2.247 -5.530 1.00 0.00 S ATOM 991 CE MET A 110 -0.360 0.522 -5.125 1.00 0.00 C ATOM 0 H MET A 110 -2.478 6.396 -7.335 1.00 0.00 H new ATOM 0 HA MET A 110 -2.894 3.859 -8.364 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.935 4.341 -7.085 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.867 4.893 -5.708 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.383 2.739 -5.003 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.228 2.054 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.541 0.116 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.195 0.434 -4.430 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.585 -0.035 -6.034 1.00 0.00 H new ATOM 1001 N VAL A 111 -4.602 4.289 -5.556 1.00 0.00 N ATOM 1002 CA VAL A 111 -5.776 3.832 -4.820 1.00 0.00 C ATOM 1003 C VAL A 111 -6.991 3.725 -5.734 1.00 0.00 C ATOM 1004 O VAL A 111 -7.550 2.645 -5.916 1.00 0.00 O ATOM 1005 CB VAL A 111 -6.109 4.777 -3.650 1.00 0.00 C ATOM 1006 CG1 VAL A 111 -7.372 4.321 -2.938 1.00 0.00 C ATOM 1007 CG2 VAL A 111 -4.939 4.858 -2.682 1.00 0.00 C ATOM 0 H VAL A 111 -4.042 4.987 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.536 2.846 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.288 5.775 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.591 5.001 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.206 4.321 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.226 3.314 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.191 5.530 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.725 3.865 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.060 5.237 -3.204 1.00 0.00 H new ATOM 1017 N ASN A 112 -7.393 4.854 -6.309 1.00 0.00 N ATOM 1018 CA ASN A 112 -8.543 4.887 -7.206 1.00 0.00 C ATOM 1019 C ASN A 112 -8.583 3.642 -8.086 1.00 0.00 C ATOM 1020 O ASN A 112 -9.545 2.875 -8.052 1.00 0.00 O ATOM 1021 CB ASN A 112 -8.498 6.142 -8.079 1.00 0.00 C ATOM 1022 CG ASN A 112 -9.216 7.317 -7.442 1.00 0.00 C ATOM 1023 OD1 ASN A 112 -10.089 7.932 -8.055 1.00 0.00 O ATOM 1024 ND2 ASN A 112 -8.849 7.633 -6.206 1.00 0.00 N ATOM 0 H ASN A 112 -6.940 5.757 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 112 -9.447 4.908 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -7.459 6.413 -8.267 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -8.951 5.925 -9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.296 8.414 -5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.120 7.095 -5.737 1.00 0.00 H new ATOM 1031 N TYR A 113 -7.530 3.448 -8.874 1.00 0.00 N ATOM 1032 CA TYR A 113 -7.445 2.298 -9.765 1.00 0.00 C ATOM 1033 C TYR A 113 -8.039 1.055 -9.109 1.00 0.00 C ATOM 1034 O TYR A 113 -8.704 0.251 -9.764 1.00 0.00 O ATOM 1035 CB TYR A 113 -5.990 2.036 -10.156 1.00 0.00 C ATOM 1036 CG TYR A 113 -5.793 0.753 -10.932 1.00 0.00 C ATOM 1037 CD1 TYR A 113 -6.001 0.709 -12.306 1.00 0.00 C ATOM 1038 CD2 TYR A 113 -5.400 -0.416 -10.293 1.00 0.00 C ATOM 1039 CE1 TYR A 113 -5.823 -0.460 -13.018 1.00 0.00 C ATOM 1040 CE2 TYR A 113 -5.217 -1.590 -10.998 1.00 0.00 C ATOM 1041 CZ TYR A 113 -5.431 -1.607 -12.360 1.00 0.00 C ATOM 1042 OH TYR A 113 -5.252 -2.775 -13.066 1.00 0.00 O ATOM 0 H TYR A 113 -6.724 4.073 -8.913 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.021 2.523 -10.663 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -5.627 2.872 -10.754 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -5.380 2.002 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.307 1.605 -12.825 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -5.234 -0.407 -9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -5.990 -0.476 -14.085 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -4.908 -2.489 -10.485 1.00 0.00 H new ATOM 0 HH TYR A 113 -4.975 -3.488 -12.454 1.00 0.00 H new ATOM 1052 N TYR A 114 -7.795 0.905 -7.813 1.00 0.00 N ATOM 1053 CA TYR A 114 -8.303 -0.239 -7.066 1.00 0.00 C ATOM 1054 C TYR A 114 -9.692 0.049 -6.505 1.00 0.00 C ATOM 1055 O TYR A 114 -10.544 -0.838 -6.441 1.00 0.00 O ATOM 1056 CB TYR A 114 -7.346 -0.599 -5.928 1.00 0.00 C ATOM 1057 CG TYR A 114 -6.012 -1.130 -6.404 1.00 0.00 C ATOM 1058 CD1 TYR A 114 -5.942 -2.202 -7.283 1.00 0.00 C ATOM 1059 CD2 TYR A 114 -4.821 -0.556 -5.974 1.00 0.00 C ATOM 1060 CE1 TYR A 114 -4.726 -2.691 -7.719 1.00 0.00 C ATOM 1061 CE2 TYR A 114 -3.600 -1.037 -6.406 1.00 0.00 C ATOM 1062 CZ TYR A 114 -3.558 -2.104 -7.278 1.00 0.00 C ATOM 1063 OH TYR A 114 -2.345 -2.587 -7.711 1.00 0.00 O ATOM 0 H TYR A 114 -7.248 1.562 -7.257 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.376 -1.083 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.177 0.285 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.818 -1.346 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.855 -2.662 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.851 0.280 -5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.690 -3.528 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -2.684 -0.580 -6.063 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.622 -2.063 -7.308 1.00 0.00 H new ATOM 1073 N SER A 115 -9.913 1.295 -6.101 1.00 0.00 N ATOM 1074 CA SER A 115 -11.197 1.702 -5.543 1.00 0.00 C ATOM 1075 C SER A 115 -12.346 0.987 -6.246 1.00 0.00 C ATOM 1076 O SER A 115 -13.322 0.586 -5.613 1.00 0.00 O ATOM 1077 CB SER A 115 -11.374 3.217 -5.666 1.00 0.00 C ATOM 1078 OG SER A 115 -12.703 3.601 -5.359 1.00 0.00 O ATOM 0 H SER A 115 -9.219 2.041 -6.150 1.00 0.00 H new ATOM 0 HA SER A 115 -11.210 1.426 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.681 3.723 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.125 3.535 -6.679 1.00 0.00 H new ATOM 0 HG SER A 115 -12.790 4.573 -5.443 1.00 0.00 H new ATOM 1084 N ALA A 116 -12.222 0.829 -7.560 1.00 0.00 N ATOM 1085 CA ALA A 116 -13.248 0.161 -8.350 1.00 0.00 C ATOM 1086 C ALA A 116 -12.849 -1.278 -8.663 1.00 0.00 C ATOM 1087 O ALA A 116 -13.671 -2.192 -8.582 1.00 0.00 O ATOM 1088 CB ALA A 116 -13.508 0.929 -9.636 1.00 0.00 C ATOM 0 H ALA A 116 -11.420 1.155 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 116 -14.166 0.137 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.277 0.418 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -13.845 1.937 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -12.589 0.983 -10.220 1.00 0.00 H new ATOM 1094 N VAL A 117 -11.585 -1.472 -9.021 1.00 0.00 N ATOM 1095 CA VAL A 117 -11.076 -2.800 -9.346 1.00 0.00 C ATOM 1096 C VAL A 117 -10.467 -3.470 -8.120 1.00 0.00 C ATOM 1097 O VAL A 117 -9.678 -2.864 -7.394 1.00 0.00 O ATOM 1098 CB VAL A 117 -10.018 -2.738 -10.463 1.00 0.00 C ATOM 1099 CG1 VAL A 117 -9.477 -4.128 -10.764 1.00 0.00 C ATOM 1100 CG2 VAL A 117 -10.602 -2.102 -11.716 1.00 0.00 C ATOM 0 H VAL A 117 -10.893 -0.726 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.925 -3.388 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.190 -2.118 -10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.731 -4.064 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.019 -4.542 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.293 -4.774 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.840 -2.066 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.449 -2.694 -12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.936 -1.090 -11.488 1.00 0.00 H new ATOM 1110 N THR A 118 -10.837 -4.727 -7.894 1.00 0.00 N ATOM 1111 CA THR A 118 -10.328 -5.481 -6.756 1.00 0.00 C ATOM 1112 C THR A 118 -9.219 -6.436 -7.180 1.00 0.00 C ATOM 1113 O THR A 118 -9.453 -7.434 -7.863 1.00 0.00 O ATOM 1114 CB THR A 118 -11.448 -6.285 -6.068 1.00 0.00 C ATOM 1115 OG1 THR A 118 -12.555 -5.428 -5.770 1.00 0.00 O ATOM 1116 CG2 THR A 118 -10.942 -6.934 -4.788 1.00 0.00 C ATOM 0 H THR A 118 -11.488 -5.244 -8.485 1.00 0.00 H new ATOM 0 HA THR A 118 -9.927 -4.754 -6.050 1.00 0.00 H new ATOM 0 HB THR A 118 -11.772 -7.071 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.263 -5.947 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.751 -7.496 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 118 -10.119 -7.610 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.593 -6.162 -4.102 1.00 0.00 H new ATOM 1124 N PRO A 119 -7.981 -6.126 -6.768 1.00 0.00 N ATOM 1125 CA PRO A 119 -6.810 -6.946 -7.094 1.00 0.00 C ATOM 1126 C PRO A 119 -6.751 -8.226 -6.267 1.00 0.00 C ATOM 1127 O PRO A 119 -7.497 -8.389 -5.301 1.00 0.00 O ATOM 1128 CB PRO A 119 -5.631 -6.033 -6.749 1.00 0.00 C ATOM 1129 CG PRO A 119 -6.150 -5.127 -5.686 1.00 0.00 C ATOM 1130 CD PRO A 119 -7.628 -4.952 -5.952 1.00 0.00 C ATOM 0 HA PRO A 119 -6.821 -7.278 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -4.775 -6.608 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.298 -5.470 -7.621 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -5.982 -5.554 -4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.635 -4.166 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -8.200 -4.923 -5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.831 -4.021 -6.482 1.00 0.00 H new ATOM 1138 N HIS A 120 -5.859 -9.133 -6.653 1.00 0.00 N ATOM 1139 CA HIS A 120 -5.702 -10.400 -5.946 1.00 0.00 C ATOM 1140 C HIS A 120 -4.357 -11.041 -6.273 1.00 0.00 C ATOM 1141 O HIS A 120 -4.070 -11.352 -7.430 1.00 0.00 O ATOM 1142 CB HIS A 120 -6.838 -11.355 -6.311 1.00 0.00 C ATOM 1143 CG HIS A 120 -8.178 -10.691 -6.387 1.00 0.00 C ATOM 1144 ND1 HIS A 120 -8.968 -10.460 -5.280 1.00 0.00 N ATOM 1145 CD2 HIS A 120 -8.867 -10.207 -7.447 1.00 0.00 C ATOM 1146 CE1 HIS A 120 -10.084 -9.864 -5.657 1.00 0.00 C ATOM 1147 NE2 HIS A 120 -10.048 -9.697 -6.966 1.00 0.00 N ATOM 0 H HIS A 120 -5.234 -9.015 -7.451 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.737 -10.198 -4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.617 -11.819 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.880 -12.156 -5.573 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -8.548 -10.220 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.890 -9.564 -5.004 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -10.778 -9.260 -7.529 1.00 0.00 H new ATOM 1155 N LEU A 121 -3.535 -11.236 -5.248 1.00 0.00 N ATOM 1156 CA LEU A 121 -2.218 -11.839 -5.426 1.00 0.00 C ATOM 1157 C LEU A 121 -2.240 -13.316 -5.042 1.00 0.00 C ATOM 1158 O LEU A 121 -2.840 -13.696 -4.037 1.00 0.00 O ATOM 1159 CB LEU A 121 -1.177 -11.098 -4.586 1.00 0.00 C ATOM 1160 CG LEU A 121 -0.647 -9.791 -5.177 1.00 0.00 C ATOM 1161 CD1 LEU A 121 -0.030 -8.924 -4.089 1.00 0.00 C ATOM 1162 CD2 LEU A 121 0.369 -10.074 -6.275 1.00 0.00 C ATOM 0 H LEU A 121 -3.757 -10.985 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.949 -11.759 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -1.613 -10.882 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.333 -11.766 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.484 -9.248 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.342 -7.998 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.784 -8.692 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.795 -9.460 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.735 -9.132 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.204 -10.639 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.104 -10.654 -7.068 1.00 0.00 H new ATOM 1174 N ARG A 122 -1.580 -14.141 -5.847 1.00 0.00 N ATOM 1175 CA ARG A 122 -1.522 -15.575 -5.591 1.00 0.00 C ATOM 1176 C ARG A 122 -2.918 -16.137 -5.333 1.00 0.00 C ATOM 1177 O ARG A 122 -3.114 -16.945 -4.426 1.00 0.00 O ATOM 1178 CB ARG A 122 -0.614 -15.865 -4.394 1.00 0.00 C ATOM 1179 CG ARG A 122 0.866 -15.842 -4.735 1.00 0.00 C ATOM 1180 CD ARG A 122 1.658 -16.786 -3.843 1.00 0.00 C ATOM 1181 NE ARG A 122 3.077 -16.442 -3.803 1.00 0.00 N ATOM 1182 CZ ARG A 122 4.031 -17.298 -3.454 1.00 0.00 C ATOM 1183 NH1 ARG A 122 3.720 -18.542 -3.118 1.00 0.00 N ATOM 1184 NH2 ARG A 122 5.300 -16.909 -3.441 1.00 0.00 N ATOM 0 H ARG A 122 -1.078 -13.841 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 122 -1.111 -16.061 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.810 -15.130 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -0.869 -16.842 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.004 -16.124 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.250 -14.828 -4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.250 -16.758 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.543 -17.808 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 122 3.350 -15.493 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.746 -18.844 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.455 -19.197 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.543 -15.953 -3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.032 -17.567 -3.173 1.00 0.00 H new ATOM 1198 N ASN A 123 -3.883 -15.704 -6.136 1.00 0.00 N ATOM 1199 CA ASN A 123 -5.260 -16.163 -5.994 1.00 0.00 C ATOM 1200 C ASN A 123 -5.819 -15.789 -4.624 1.00 0.00 C ATOM 1201 O ASN A 123 -6.534 -16.573 -4.000 1.00 0.00 O ATOM 1202 CB ASN A 123 -5.337 -17.678 -6.192 1.00 0.00 C ATOM 1203 CG ASN A 123 -6.753 -18.155 -6.454 1.00 0.00 C ATOM 1204 OD1 ASN A 123 -7.522 -18.391 -5.522 1.00 0.00 O ATOM 1205 ND2 ASN A 123 -7.103 -18.300 -7.726 1.00 0.00 N ATOM 0 H ASN A 123 -3.737 -15.035 -6.892 1.00 0.00 H new ATOM 0 HA ASN A 123 -5.862 -15.672 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -4.699 -17.965 -7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -4.946 -18.178 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -8.042 -18.619 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -6.433 -18.093 -8.466 1.00 0.00 H new ATOM 1212 N GLN A 124 -5.489 -14.587 -4.165 1.00 0.00 N ATOM 1213 CA GLN A 124 -5.957 -14.110 -2.869 1.00 0.00 C ATOM 1214 C GLN A 124 -6.094 -12.590 -2.865 1.00 0.00 C ATOM 1215 O GLN A 124 -5.333 -11.873 -3.516 1.00 0.00 O ATOM 1216 CB GLN A 124 -4.999 -14.550 -1.762 1.00 0.00 C ATOM 1217 CG GLN A 124 -5.125 -16.020 -1.396 1.00 0.00 C ATOM 1218 CD GLN A 124 -6.400 -16.324 -0.634 1.00 0.00 C ATOM 1219 OE1 GLN A 124 -7.503 -16.183 -1.162 1.00 0.00 O ATOM 1220 NE2 GLN A 124 -6.254 -16.746 0.618 1.00 0.00 N ATOM 0 H GLN A 124 -4.900 -13.926 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 124 -6.939 -14.546 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.975 -14.350 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.182 -13.946 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -5.098 -16.621 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.266 -16.315 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.320 -16.849 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -7.075 -16.967 1.181 1.00 0.00 H new ATOM 1229 N PRO A 125 -7.086 -12.087 -2.116 1.00 0.00 N ATOM 1230 CA PRO A 125 -7.344 -10.647 -2.009 1.00 0.00 C ATOM 1231 C PRO A 125 -6.315 -9.936 -1.138 1.00 0.00 C ATOM 1232 O PRO A 125 -5.743 -10.532 -0.225 1.00 0.00 O ATOM 1233 CB PRO A 125 -8.730 -10.583 -1.361 1.00 0.00 C ATOM 1234 CG PRO A 125 -8.836 -11.842 -0.571 1.00 0.00 C ATOM 1235 CD PRO A 125 -8.030 -12.883 -1.314 1.00 0.00 C ATOM 0 HA PRO A 125 -7.287 -10.150 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.829 -9.705 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -9.516 -10.520 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -8.450 -11.700 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -9.876 -12.153 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -7.509 -13.550 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -8.665 -13.506 -1.944 1.00 0.00 H new ATOM 1243 N ILE A 126 -6.086 -8.659 -1.424 1.00 0.00 N ATOM 1244 CA ILE A 126 -5.126 -7.868 -0.664 1.00 0.00 C ATOM 1245 C ILE A 126 -5.758 -6.575 -0.159 1.00 0.00 C ATOM 1246 O ILE A 126 -6.712 -6.067 -0.748 1.00 0.00 O ATOM 1247 CB ILE A 126 -3.885 -7.524 -1.510 1.00 0.00 C ATOM 1248 CG1 ILE A 126 -4.295 -6.748 -2.764 1.00 0.00 C ATOM 1249 CG2 ILE A 126 -3.133 -8.790 -1.887 1.00 0.00 C ATOM 1250 CD1 ILE A 126 -3.132 -6.096 -3.478 1.00 0.00 C ATOM 0 H ILE A 126 -6.552 -8.150 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 126 -4.818 -8.476 0.187 1.00 0.00 H new ATOM 0 HB ILE A 126 -3.222 -6.895 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -4.799 -7.426 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -5.017 -5.980 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.259 -8.530 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -2.813 -9.306 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.787 -9.443 -2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -3.497 -5.564 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -2.641 -5.393 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -2.420 -6.861 -3.787 1.00 0.00 H new ATOM 1262 N TYR A 127 -5.218 -6.046 0.932 1.00 0.00 N ATOM 1263 CA TYR A 127 -5.728 -4.813 1.518 1.00 0.00 C ATOM 1264 C TYR A 127 -4.868 -3.620 1.113 1.00 0.00 C ATOM 1265 O TYR A 127 -3.639 -3.695 1.125 1.00 0.00 O ATOM 1266 CB TYR A 127 -5.774 -4.928 3.043 1.00 0.00 C ATOM 1267 CG TYR A 127 -6.967 -5.702 3.556 1.00 0.00 C ATOM 1268 CD1 TYR A 127 -8.239 -5.480 3.042 1.00 0.00 C ATOM 1269 CD2 TYR A 127 -6.823 -6.657 4.555 1.00 0.00 C ATOM 1270 CE1 TYR A 127 -9.332 -6.185 3.507 1.00 0.00 C ATOM 1271 CE2 TYR A 127 -7.910 -7.368 5.026 1.00 0.00 C ATOM 1272 CZ TYR A 127 -9.162 -7.129 4.499 1.00 0.00 C ATOM 1273 OH TYR A 127 -10.247 -7.834 4.966 1.00 0.00 O ATOM 0 H TYR A 127 -4.426 -6.452 1.429 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.739 -4.654 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.861 -5.412 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.788 -3.927 3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.375 -4.743 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.844 -6.847 4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -10.313 -5.999 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.780 -8.107 5.803 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.956 -8.459 5.662 1.00 0.00 H new ATOM 1283 N ILE A 128 -5.523 -2.521 0.754 1.00 0.00 N ATOM 1284 CA ILE A 128 -4.819 -1.311 0.346 1.00 0.00 C ATOM 1285 C ILE A 128 -5.590 -0.062 0.757 1.00 0.00 C ATOM 1286 O ILE A 128 -6.756 0.104 0.402 1.00 0.00 O ATOM 1287 CB ILE A 128 -4.586 -1.281 -1.176 1.00 0.00 C ATOM 1288 CG1 ILE A 128 -3.759 -2.491 -1.612 1.00 0.00 C ATOM 1289 CG2 ILE A 128 -3.897 0.014 -1.580 1.00 0.00 C ATOM 1290 CD1 ILE A 128 -3.823 -2.763 -3.099 1.00 0.00 C ATOM 0 H ILE A 128 -6.540 -2.443 0.737 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.854 -1.321 0.852 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.552 -1.327 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -2.720 -2.333 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.108 -3.372 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -3.739 0.021 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.522 0.862 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.936 0.088 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.213 -3.635 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -4.856 -2.953 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.446 -1.898 -3.644 1.00 0.00 H new ATOM 1302 N GLN A 129 -4.930 0.816 1.507 1.00 0.00 N ATOM 1303 CA GLN A 129 -5.554 2.051 1.965 1.00 0.00 C ATOM 1304 C GLN A 129 -4.505 3.127 2.223 1.00 0.00 C ATOM 1305 O GLN A 129 -3.312 2.910 2.007 1.00 0.00 O ATOM 1306 CB GLN A 129 -6.364 1.796 3.237 1.00 0.00 C ATOM 1307 CG GLN A 129 -7.483 0.784 3.053 1.00 0.00 C ATOM 1308 CD GLN A 129 -8.575 0.926 4.096 1.00 0.00 C ATOM 1309 OE1 GLN A 129 -8.438 1.684 5.057 1.00 0.00 O ATOM 1310 NE2 GLN A 129 -9.668 0.195 3.912 1.00 0.00 N ATOM 0 H GLN A 129 -3.964 0.694 1.810 1.00 0.00 H new ATOM 0 HA GLN A 129 -6.224 2.403 1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -5.693 1.445 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -6.790 2.738 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -7.916 0.904 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.069 -0.223 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.740 -0.420 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.436 0.249 4.581 1.00 0.00 H new ATOM 1319 N TYR A 130 -4.956 4.288 2.684 1.00 0.00 N ATOM 1320 CA TYR A 130 -4.056 5.399 2.969 1.00 0.00 C ATOM 1321 C TYR A 130 -3.425 5.250 4.349 1.00 0.00 C ATOM 1322 O TYR A 130 -4.013 4.656 5.253 1.00 0.00 O ATOM 1323 CB TYR A 130 -4.810 6.727 2.882 1.00 0.00 C ATOM 1324 CG TYR A 130 -5.252 7.083 1.480 1.00 0.00 C ATOM 1325 CD1 TYR A 130 -6.038 6.213 0.737 1.00 0.00 C ATOM 1326 CD2 TYR A 130 -4.883 8.291 0.900 1.00 0.00 C ATOM 1327 CE1 TYR A 130 -6.443 6.533 -0.544 1.00 0.00 C ATOM 1328 CE2 TYR A 130 -5.284 8.620 -0.380 1.00 0.00 C ATOM 1329 CZ TYR A 130 -6.064 7.738 -1.099 1.00 0.00 C ATOM 1330 OH TYR A 130 -6.466 8.062 -2.374 1.00 0.00 O ATOM 0 H TYR A 130 -5.940 4.484 2.868 1.00 0.00 H new ATOM 0 HA TYR A 130 -3.261 5.389 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -5.686 6.681 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.172 7.523 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.338 5.269 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -4.272 8.984 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.053 5.844 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -4.988 9.563 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.115 8.945 -2.613 1.00 0.00 H new ATOM 1340 N SER A 131 -2.221 5.793 4.504 1.00 0.00 N ATOM 1341 CA SER A 131 -1.506 5.717 5.773 1.00 0.00 C ATOM 1342 C SER A 131 -1.257 7.112 6.339 1.00 0.00 C ATOM 1343 O SER A 131 -0.507 7.901 5.767 1.00 0.00 O ATOM 1344 CB SER A 131 -0.176 4.983 5.590 1.00 0.00 C ATOM 1345 OG SER A 131 0.508 4.853 6.824 1.00 0.00 O ATOM 0 H SER A 131 -1.721 6.290 3.767 1.00 0.00 H new ATOM 0 HA SER A 131 -2.124 5.162 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.357 3.996 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.448 5.526 4.880 1.00 0.00 H new ATOM 0 HG SER A 131 1.354 4.379 6.681 1.00 0.00 H new