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 -60:sc= 0.596 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.549 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= -1.57! USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= -0.77 USER MOD Set 3.1: A 68 SER OG : rot -122:sc= 0.539 USER MOD Set 3.2: A 71 THR OG1 : rot 61:sc= 1.88 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.327 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.214 K(o=0.21,f=-1.4!) USER MOD Single : A 41 THR OG1 : rot 51:sc= 0.243 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -36:sc= 0.138 USER MOD Single : A 52 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.005) 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) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -172:sc= 0 (180deg=-0.0535) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -59:sc= 1.14 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.741 USER MOD Single : A 81 TYR OH : rot -120:sc= -1.28 USER MOD Single : A 87 SER OG : rot -140:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -139:sc= 0.486 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 -6.944 -12.178 -7.021 1.00 0.00 N ATOM 110 CA PRO A 11 -8.297 -11.659 -7.241 1.00 0.00 C ATOM 111 C PRO A 11 -8.324 -10.524 -8.259 1.00 0.00 C ATOM 112 O PRO A 11 -9.126 -10.534 -9.193 1.00 0.00 O ATOM 113 CB PRO A 11 -8.710 -11.148 -5.858 1.00 0.00 C ATOM 114 CG PRO A 11 -7.426 -10.837 -5.170 1.00 0.00 C ATOM 115 CD PRO A 11 -6.428 -11.837 -5.684 1.00 0.00 C ATOM 0 HA PRO A 11 -8.965 -12.419 -7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.342 -10.263 -5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.280 -11.900 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.104 -9.818 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.534 -10.914 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.425 -11.413 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.370 -12.714 -5.040 1.00 0.00 H new ATOM 123 N ARG A 12 -7.443 -9.546 -8.071 1.00 0.00 N ATOM 124 CA ARG A 12 -7.367 -8.403 -8.973 1.00 0.00 C ATOM 125 C ARG A 12 -5.945 -7.855 -9.037 1.00 0.00 C ATOM 126 O ARG A 12 -5.038 -8.374 -8.385 1.00 0.00 O ATOM 127 CB ARG A 12 -8.330 -7.304 -8.520 1.00 0.00 C ATOM 128 CG ARG A 12 -9.758 -7.510 -8.997 1.00 0.00 C ATOM 129 CD ARG A 12 -9.882 -7.286 -10.496 1.00 0.00 C ATOM 130 NE ARG A 12 -10.965 -8.074 -11.080 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.492 -7.828 -12.274 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.038 -6.822 -13.008 1.00 0.00 N ATOM 133 NH2 ARG A 12 -12.474 -8.590 -12.736 1.00 0.00 N ATOM 0 H ARG A 12 -6.773 -9.523 -7.303 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.653 -8.738 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.324 -7.253 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.969 -6.343 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.083 -8.521 -8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.422 -6.825 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.058 -6.228 -10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.941 -7.548 -10.981 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.337 -8.856 -10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.282 -6.235 -12.656 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.445 -6.635 -13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.825 -9.366 -12.174 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.878 -8.400 -13.653 1.00 0.00 H new ATOM 147 N HIS A 13 -5.757 -6.802 -9.827 1.00 0.00 N ATOM 148 CA HIS A 13 -4.445 -6.183 -9.975 1.00 0.00 C ATOM 149 C HIS A 13 -4.373 -4.870 -9.201 1.00 0.00 C ATOM 150 O HIS A 13 -5.351 -4.125 -9.130 1.00 0.00 O ATOM 151 CB HIS A 13 -4.140 -5.934 -11.453 1.00 0.00 C ATOM 152 CG HIS A 13 -4.117 -7.183 -12.278 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.181 -7.593 -13.054 1.00 0.00 N ATOM 154 CD2 HIS A 13 -3.149 -8.114 -12.448 1.00 0.00 C ATOM 155 CE1 HIS A 13 -4.870 -8.723 -13.663 1.00 0.00 C ATOM 156 NE2 HIS A 13 -3.642 -9.060 -13.313 1.00 0.00 N ATOM 0 H HIS A 13 -6.496 -6.360 -10.374 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.700 -6.866 -9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.888 -5.253 -11.860 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.175 -5.435 -11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.171 -8.113 -11.989 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.511 -9.277 -14.333 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.141 -9.889 -13.633 1.00 0.00 H new ATOM 165 N LEU A 14 -3.210 -4.594 -8.621 1.00 0.00 N ATOM 166 CA LEU A 14 -3.010 -3.372 -7.851 1.00 0.00 C ATOM 167 C LEU A 14 -2.518 -2.239 -8.745 1.00 0.00 C ATOM 168 O LEU A 14 -2.045 -2.472 -9.857 1.00 0.00 O ATOM 169 CB LEU A 14 -2.009 -3.616 -6.720 1.00 0.00 C ATOM 170 CG LEU A 14 -2.598 -4.101 -5.395 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.494 -4.342 -4.377 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.609 -3.097 -4.861 1.00 0.00 C ATOM 0 H LEU A 14 -2.391 -5.200 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.969 -3.081 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.279 -4.350 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.467 -2.689 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.113 -5.045 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.932 -4.687 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.808 -5.099 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.950 -3.413 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.018 -3.459 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.118 -2.137 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.416 -2.975 -5.583 1.00 0.00 H new ATOM 184 N GLY A 15 -2.630 -1.010 -8.251 1.00 0.00 N ATOM 185 CA GLY A 15 -2.190 0.142 -9.017 1.00 0.00 C ATOM 186 C GLY A 15 -2.115 1.402 -8.179 1.00 0.00 C ATOM 187 O GLY A 15 -3.005 1.674 -7.372 1.00 0.00 O ATOM 0 H GLY A 15 -3.018 -0.791 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.209 -0.064 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.875 0.304 -9.850 1.00 0.00 H new ATOM 191 N PHE A 16 -1.050 2.174 -8.368 1.00 0.00 N ATOM 192 CA PHE A 16 -0.861 3.412 -7.621 1.00 0.00 C ATOM 193 C PHE A 16 -1.069 4.627 -8.519 1.00 0.00 C ATOM 194 O PHE A 16 -0.728 4.604 -9.702 1.00 0.00 O ATOM 195 CB PHE A 16 0.540 3.452 -7.006 1.00 0.00 C ATOM 196 CG PHE A 16 0.871 2.236 -6.188 1.00 0.00 C ATOM 197 CD1 PHE A 16 1.275 1.062 -6.802 1.00 0.00 C ATOM 198 CD2 PHE A 16 0.777 2.268 -4.806 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.580 -0.058 -6.052 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.081 1.151 -4.051 1.00 0.00 C ATOM 201 CZ PHE A 16 1.483 -0.014 -4.675 1.00 0.00 C ATOM 0 H PHE A 16 -0.305 1.964 -9.032 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.602 3.442 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.275 3.554 -7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.627 4.338 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.352 1.021 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.463 3.176 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.894 -0.967 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.004 1.189 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.721 -0.888 -4.087 1.00 0.00 H new ATOM 211 N SER A 17 -1.631 5.688 -7.950 1.00 0.00 N ATOM 212 CA SER A 17 -1.889 6.912 -8.699 1.00 0.00 C ATOM 213 C SER A 17 -1.561 8.143 -7.860 1.00 0.00 C ATOM 214 O SER A 17 -1.352 8.045 -6.651 1.00 0.00 O ATOM 215 CB SER A 17 -3.351 6.962 -9.148 1.00 0.00 C ATOM 216 OG SER A 17 -3.652 8.199 -9.769 1.00 0.00 O ATOM 0 H SER A 17 -1.917 5.725 -6.972 1.00 0.00 H new ATOM 0 HA SER A 17 -1.245 6.912 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.550 6.145 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.004 6.815 -8.288 1.00 0.00 H new ATOM 0 HG SER A 17 -4.591 8.205 -10.048 1.00 0.00 H new ATOM 222 N ASP A 18 -1.517 9.300 -8.511 1.00 0.00 N ATOM 223 CA ASP A 18 -1.215 10.551 -7.826 1.00 0.00 C ATOM 224 C ASP A 18 -0.131 10.346 -6.772 1.00 0.00 C ATOM 225 O ASP A 18 -0.055 11.088 -5.792 1.00 0.00 O ATOM 226 CB ASP A 18 -2.477 11.118 -7.173 1.00 0.00 C ATOM 227 CG ASP A 18 -3.668 11.108 -8.111 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.586 11.747 -9.181 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.681 10.460 -7.776 1.00 0.00 O ATOM 0 H ASP A 18 -1.687 9.397 -9.512 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.847 11.262 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.715 10.536 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.285 12.140 -6.845 1.00 0.00 H new ATOM 234 N VAL A 19 0.705 9.334 -6.980 1.00 0.00 N ATOM 235 CA VAL A 19 1.785 9.031 -6.048 1.00 0.00 C ATOM 236 C VAL A 19 2.801 10.166 -5.996 1.00 0.00 C ATOM 237 O VAL A 19 3.026 10.858 -6.989 1.00 0.00 O ATOM 238 CB VAL A 19 2.508 7.726 -6.432 1.00 0.00 C ATOM 239 CG1 VAL A 19 3.445 7.962 -7.607 1.00 0.00 C ATOM 240 CG2 VAL A 19 3.267 7.167 -5.238 1.00 0.00 C ATOM 0 H VAL A 19 0.655 8.710 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 19 1.330 8.910 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 19 1.761 6.992 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.947 7.030 -7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.872 8.314 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.188 8.711 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.772 6.245 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.005 7.895 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.568 6.959 -4.428 1.00 0.00 H new ATOM 250 N SER A 20 3.413 10.353 -4.831 1.00 0.00 N ATOM 251 CA SER A 20 4.403 11.407 -4.648 1.00 0.00 C ATOM 252 C SER A 20 5.677 10.852 -4.017 1.00 0.00 C ATOM 253 O SER A 20 5.740 9.679 -3.646 1.00 0.00 O ATOM 254 CB SER A 20 3.833 12.526 -3.774 1.00 0.00 C ATOM 255 OG SER A 20 2.884 13.297 -4.489 1.00 0.00 O ATOM 0 H SER A 20 3.240 9.788 -4.000 1.00 0.00 H new ATOM 0 HA SER A 20 4.651 11.813 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.365 12.097 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.642 13.169 -3.427 1.00 0.00 H new ATOM 0 HG SER A 20 2.533 14.004 -3.909 1.00 0.00 H new ATOM 261 N HIS A 21 6.690 11.704 -3.898 1.00 0.00 N ATOM 262 CA HIS A 21 7.963 11.300 -3.311 1.00 0.00 C ATOM 263 C HIS A 21 7.855 11.204 -1.792 1.00 0.00 C ATOM 264 O HIS A 21 8.734 10.650 -1.131 1.00 0.00 O ATOM 265 CB HIS A 21 9.063 12.291 -3.694 1.00 0.00 C ATOM 266 CG HIS A 21 8.783 13.695 -3.254 1.00 0.00 C ATOM 267 ND1 HIS A 21 7.930 14.540 -3.932 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.248 14.401 -2.197 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.884 15.706 -3.312 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.674 15.647 -2.255 1.00 0.00 N ATOM 0 H HIS A 21 6.655 12.678 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 21 8.219 10.315 -3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.005 11.963 -3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.193 12.277 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.942 14.050 -1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.300 16.562 -3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.832 16.404 -1.590 1.00 0.00 H new ATOM 279 N ASP A 22 6.774 11.748 -1.245 1.00 0.00 N ATOM 280 CA ASP A 22 6.551 11.723 0.196 1.00 0.00 C ATOM 281 C ASP A 22 5.228 11.040 0.529 1.00 0.00 C ATOM 282 O ASP A 22 4.820 10.988 1.689 1.00 0.00 O ATOM 283 CB ASP A 22 6.561 13.145 0.759 1.00 0.00 C ATOM 284 CG ASP A 22 5.211 13.826 0.636 1.00 0.00 C ATOM 285 OD1 ASP A 22 4.691 13.913 -0.496 1.00 0.00 O ATOM 286 OD2 ASP A 22 4.675 14.270 1.673 1.00 0.00 O ATOM 0 H ASP A 22 6.038 12.212 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 22 7.359 11.153 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.855 13.115 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.312 13.735 0.234 1.00 0.00 H new ATOM 291 N ALA A 23 4.563 10.518 -0.496 1.00 0.00 N ATOM 292 CA ALA A 23 3.287 9.837 -0.311 1.00 0.00 C ATOM 293 C ALA A 23 2.961 8.948 -1.507 1.00 0.00 C ATOM 294 O ALA A 23 3.666 8.965 -2.515 1.00 0.00 O ATOM 295 CB ALA A 23 2.175 10.851 -0.086 1.00 0.00 C ATOM 0 H ALA A 23 4.886 10.553 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 23 3.367 9.201 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.228 10.328 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.395 11.441 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.104 11.511 -0.951 1.00 0.00 H new ATOM 301 N ALA A 24 1.888 8.173 -1.387 1.00 0.00 N ATOM 302 CA ALA A 24 1.469 7.279 -2.459 1.00 0.00 C ATOM 303 C ALA A 24 0.013 6.857 -2.284 1.00 0.00 C ATOM 304 O ALA A 24 -0.390 6.417 -1.207 1.00 0.00 O ATOM 305 CB ALA A 24 2.372 6.055 -2.510 1.00 0.00 C ATOM 0 H ALA A 24 1.294 8.146 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 24 1.554 7.819 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.047 5.396 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.400 6.369 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.316 5.522 -1.561 1.00 0.00 H new ATOM 311 N ARG A 25 -0.770 6.996 -3.348 1.00 0.00 N ATOM 312 CA ARG A 25 -2.181 6.631 -3.311 1.00 0.00 C ATOM 313 C ARG A 25 -2.406 5.263 -3.948 1.00 0.00 C ATOM 314 O ARG A 25 -2.364 5.120 -5.170 1.00 0.00 O ATOM 315 CB ARG A 25 -3.021 7.686 -4.034 1.00 0.00 C ATOM 316 CG ARG A 25 -4.506 7.601 -3.721 1.00 0.00 C ATOM 317 CD ARG A 25 -5.284 8.718 -4.399 1.00 0.00 C ATOM 318 NE ARG A 25 -5.365 9.913 -3.564 1.00 0.00 N ATOM 319 CZ ARG A 25 -5.867 11.069 -3.983 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.332 11.185 -5.220 1.00 0.00 N ATOM 321 NH2 ARG A 25 -5.906 12.113 -3.165 1.00 0.00 N ATOM 0 H ARG A 25 -0.452 7.359 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.491 6.582 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.657 8.677 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.878 7.578 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.893 6.636 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.655 7.655 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.807 8.969 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.290 8.369 -4.632 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.017 9.857 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.305 10.385 -5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.717 12.074 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.550 12.028 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.292 13.000 -3.488 1.00 0.00 H new ATOM 335 N VAL A 26 -2.645 4.259 -3.111 1.00 0.00 N ATOM 336 CA VAL A 26 -2.877 2.902 -3.591 1.00 0.00 C ATOM 337 C VAL A 26 -4.364 2.638 -3.795 1.00 0.00 C ATOM 338 O VAL A 26 -5.186 2.958 -2.936 1.00 0.00 O ATOM 339 CB VAL A 26 -2.311 1.855 -2.612 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.839 2.098 -1.207 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.649 0.449 -3.083 1.00 0.00 C ATOM 0 H VAL A 26 -2.683 4.360 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.360 2.812 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.226 1.954 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.429 1.349 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.541 3.092 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.927 2.028 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.242 -0.278 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.732 0.334 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.216 0.282 -4.069 1.00 0.00 H new ATOM 351 N PHE A 27 -4.704 2.051 -4.938 1.00 0.00 N ATOM 352 CA PHE A 27 -6.094 1.744 -5.256 1.00 0.00 C ATOM 353 C PHE A 27 -6.215 0.357 -5.881 1.00 0.00 C ATOM 354 O PHE A 27 -5.315 -0.098 -6.586 1.00 0.00 O ATOM 355 CB PHE A 27 -6.665 2.796 -6.209 1.00 0.00 C ATOM 356 CG PHE A 27 -6.007 2.804 -7.559 1.00 0.00 C ATOM 357 CD1 PHE A 27 -4.825 3.497 -7.764 1.00 0.00 C ATOM 358 CD2 PHE A 27 -6.570 2.117 -8.623 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.216 3.505 -9.005 1.00 0.00 C ATOM 360 CE2 PHE A 27 -5.966 2.122 -9.866 1.00 0.00 C ATOM 361 CZ PHE A 27 -4.788 2.818 -10.057 1.00 0.00 C ATOM 0 H PHE A 27 -4.036 1.778 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.665 1.756 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.733 2.618 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.557 3.781 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.374 4.037 -6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.491 1.572 -8.479 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.294 4.048 -9.151 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.414 1.582 -10.687 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.315 2.825 -11.028 1.00 0.00 H new ATOM 371 N TRP A 28 -7.333 -0.308 -5.615 1.00 0.00 N ATOM 372 CA TRP A 28 -7.573 -1.644 -6.150 1.00 0.00 C ATOM 373 C TRP A 28 -8.892 -1.697 -6.913 1.00 0.00 C ATOM 374 O TRP A 28 -9.671 -0.744 -6.888 1.00 0.00 O ATOM 375 CB TRP A 28 -7.581 -2.675 -5.020 1.00 0.00 C ATOM 376 CG TRP A 28 -8.255 -2.184 -3.774 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.535 -2.447 -3.376 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.684 -1.344 -2.765 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.794 -1.821 -2.181 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.674 -1.139 -1.784 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.432 -0.747 -2.593 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.450 -0.361 -0.651 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.211 0.025 -1.469 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.215 0.211 -0.509 1.00 0.00 C ATOM 0 H TRP A 28 -8.088 0.055 -5.033 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.765 -1.881 -6.842 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.084 -3.578 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.554 -2.953 -4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.240 -3.057 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.677 -1.858 -1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.651 -0.887 -3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.223 -0.214 0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.248 0.493 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.010 0.818 0.360 1.00 0.00 H new ATOM 395 N GLU A 29 -9.135 -2.815 -7.589 1.00 0.00 N ATOM 396 CA GLU A 29 -10.361 -2.989 -8.359 1.00 0.00 C ATOM 397 C GLU A 29 -11.464 -3.598 -7.497 1.00 0.00 C ATOM 398 O GLU A 29 -12.462 -4.101 -8.011 1.00 0.00 O ATOM 399 CB GLU A 29 -10.103 -3.878 -9.578 1.00 0.00 C ATOM 400 CG GLU A 29 -9.435 -3.149 -10.732 1.00 0.00 C ATOM 401 CD GLU A 29 -10.428 -2.408 -11.606 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.793 -1.267 -11.252 1.00 0.00 O ATOM 403 OE2 GLU A 29 -10.839 -2.967 -12.644 1.00 0.00 O ATOM 0 H GLU A 29 -8.500 -3.613 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.689 -2.006 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.476 -4.718 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.050 -4.293 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.706 -2.442 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.885 -3.867 -11.341 1.00 0.00 H new ATOM 410 N GLY A 30 -11.274 -3.548 -6.182 1.00 0.00 N ATOM 411 CA GLY A 30 -12.259 -4.098 -5.269 1.00 0.00 C ATOM 412 C GLY A 30 -12.133 -5.601 -5.117 1.00 0.00 C ATOM 413 O GLY A 30 -11.300 -6.230 -5.769 1.00 0.00 O ATOM 0 H GLY A 30 -10.456 -3.137 -5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.148 -3.627 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.259 -3.855 -5.628 1.00 0.00 H new ATOM 417 N ALA A 31 -12.962 -6.178 -4.253 1.00 0.00 N ATOM 418 CA ALA A 31 -12.939 -7.617 -4.018 1.00 0.00 C ATOM 419 C ALA A 31 -14.266 -8.258 -4.413 1.00 0.00 C ATOM 420 O ALA A 31 -15.317 -7.617 -4.411 1.00 0.00 O ATOM 421 CB ALA A 31 -12.624 -7.908 -2.559 1.00 0.00 C ATOM 0 H ALA A 31 -13.657 -5.672 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.156 -8.050 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.610 -8.986 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.649 -7.491 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.387 -7.456 -1.925 1.00 0.00 H new ATOM 427 N PRO A 32 -14.217 -9.552 -4.762 1.00 0.00 N ATOM 428 CA PRO A 32 -15.407 -10.308 -5.166 1.00 0.00 C ATOM 429 C PRO A 32 -16.360 -10.555 -4.001 1.00 0.00 C ATOM 430 O PRO A 32 -17.437 -11.123 -4.179 1.00 0.00 O ATOM 431 CB PRO A 32 -14.830 -11.631 -5.676 1.00 0.00 C ATOM 432 CG PRO A 32 -13.527 -11.774 -4.968 1.00 0.00 C ATOM 433 CD PRO A 32 -12.998 -10.378 -4.787 1.00 0.00 C ATOM 0 HA PRO A 32 -15.999 -9.772 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.495 -12.465 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.693 -11.613 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.658 -12.269 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.833 -12.382 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.428 -10.281 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.335 -10.091 -5.603 1.00 0.00 H new ATOM 441 N ARG A 33 -15.955 -10.126 -2.810 1.00 0.00 N ATOM 442 CA ARG A 33 -16.773 -10.302 -1.616 1.00 0.00 C ATOM 443 C ARG A 33 -16.699 -9.070 -0.720 1.00 0.00 C ATOM 444 O ARG A 33 -15.711 -8.335 -0.714 1.00 0.00 O ATOM 445 CB ARG A 33 -16.320 -11.539 -0.840 1.00 0.00 C ATOM 446 CG ARG A 33 -14.957 -11.382 -0.185 1.00 0.00 C ATOM 447 CD ARG A 33 -14.646 -12.548 0.740 1.00 0.00 C ATOM 448 NE ARG A 33 -14.567 -13.815 0.018 1.00 0.00 N ATOM 449 CZ ARG A 33 -14.568 -15.002 0.613 1.00 0.00 C ATOM 450 NH1 ARG A 33 -14.644 -15.084 1.934 1.00 0.00 N ATOM 451 NH2 ARG A 33 -14.493 -16.110 -0.113 1.00 0.00 N ATOM 0 H ARG A 33 -15.066 -9.654 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.807 -10.438 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.059 -11.766 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.292 -12.392 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.188 -11.312 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.929 -10.450 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.701 -12.363 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.416 -12.616 1.508 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.508 -13.786 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.702 -14.234 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.645 -15.997 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.434 -16.051 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.494 -17.021 0.345 1.00 0.00 H new ATOM 465 N PRO A 34 -17.768 -8.837 0.056 1.00 0.00 N ATOM 466 CA PRO A 34 -17.848 -7.694 0.971 1.00 0.00 C ATOM 467 C PRO A 34 -16.896 -7.832 2.155 1.00 0.00 C ATOM 468 O PRO A 34 -16.655 -8.935 2.646 1.00 0.00 O ATOM 469 CB PRO A 34 -19.302 -7.724 1.449 1.00 0.00 C ATOM 470 CG PRO A 34 -19.722 -9.145 1.298 1.00 0.00 C ATOM 471 CD PRO A 34 -18.980 -9.671 0.101 1.00 0.00 C ATOM 0 HA PRO A 34 -17.564 -6.761 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.385 -7.395 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.928 -7.061 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.480 -9.721 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.800 -9.220 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.737 -10.728 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.569 -9.574 -0.811 1.00 0.00 H new ATOM 479 N VAL A 35 -16.358 -6.705 2.610 1.00 0.00 N ATOM 480 CA VAL A 35 -15.433 -6.699 3.737 1.00 0.00 C ATOM 481 C VAL A 35 -15.832 -5.651 4.769 1.00 0.00 C ATOM 482 O VAL A 35 -16.520 -4.681 4.450 1.00 0.00 O ATOM 483 CB VAL A 35 -13.989 -6.428 3.277 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.950 -5.266 2.296 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.091 -6.155 4.474 1.00 0.00 C ATOM 0 H VAL A 35 -16.547 -5.784 2.215 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.481 -7.689 4.191 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.616 -7.316 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.921 -5.089 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.559 -5.505 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.341 -4.370 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.074 -5.966 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.460 -5.283 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.095 -7.021 5.137 1.00 0.00 H new ATOM 495 N ARG A 36 -15.394 -5.852 6.008 1.00 0.00 N ATOM 496 CA ARG A 36 -15.706 -4.923 7.088 1.00 0.00 C ATOM 497 C ARG A 36 -14.585 -3.904 7.269 1.00 0.00 C ATOM 498 O ARG A 36 -14.839 -2.720 7.495 1.00 0.00 O ATOM 499 CB ARG A 36 -15.932 -5.686 8.395 1.00 0.00 C ATOM 500 CG ARG A 36 -14.658 -6.259 8.994 1.00 0.00 C ATOM 501 CD ARG A 36 -14.958 -7.175 10.170 1.00 0.00 C ATOM 502 NE ARG A 36 -13.750 -7.807 10.694 1.00 0.00 N ATOM 503 CZ ARG A 36 -12.871 -7.183 11.470 1.00 0.00 C ATOM 504 NH1 ARG A 36 -13.064 -5.916 11.811 1.00 0.00 N ATOM 505 NH2 ARG A 36 -11.796 -7.826 11.907 1.00 0.00 N ATOM 0 H ARG A 36 -14.823 -6.649 6.289 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.619 -4.390 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.396 -5.018 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.636 -6.498 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.113 -6.813 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.011 -5.445 9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.440 -6.602 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.664 -7.945 9.859 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.572 -8.781 10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.889 -5.418 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.387 -5.440 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.644 -8.801 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.122 -7.346 12.503 1.00 0.00 H new ATOM 519 N LEU A 37 -13.346 -4.371 7.169 1.00 0.00 N ATOM 520 CA LEU A 37 -12.185 -3.500 7.323 1.00 0.00 C ATOM 521 C LEU A 37 -11.049 -3.940 6.404 1.00 0.00 C ATOM 522 O LEU A 37 -11.019 -5.079 5.939 1.00 0.00 O ATOM 523 CB LEU A 37 -11.710 -3.501 8.777 1.00 0.00 C ATOM 524 CG LEU A 37 -11.043 -2.215 9.266 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.247 -2.044 10.763 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.559 -2.222 8.925 1.00 0.00 C ATOM 0 H LEU A 37 -13.119 -5.348 6.982 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.481 -2.488 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.567 -3.709 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.007 -4.324 8.908 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.509 -1.370 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.765 -1.124 11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.314 -1.994 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.808 -2.892 11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.100 -1.299 9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.079 -3.075 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.434 -2.297 7.845 1.00 0.00 H new ATOM 538 N VAL A 38 -10.115 -3.030 6.150 1.00 0.00 N ATOM 539 CA VAL A 38 -8.974 -3.325 5.290 1.00 0.00 C ATOM 540 C VAL A 38 -7.685 -2.762 5.876 1.00 0.00 C ATOM 541 O VAL A 38 -7.557 -1.554 6.076 1.00 0.00 O ATOM 542 CB VAL A 38 -9.176 -2.752 3.875 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.001 -3.115 2.979 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.484 -3.251 3.280 1.00 0.00 C ATOM 0 H VAL A 38 -10.125 -2.082 6.527 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.897 -4.410 5.227 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.226 -1.665 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.161 -2.702 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.083 -2.704 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.916 -4.200 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.610 -2.836 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.465 -4.339 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.315 -2.936 3.911 1.00 0.00 H new ATOM 554 N ARG A 39 -6.730 -3.645 6.148 1.00 0.00 N ATOM 555 CA ARG A 39 -5.449 -3.236 6.712 1.00 0.00 C ATOM 556 C ARG A 39 -4.373 -3.179 5.631 1.00 0.00 C ATOM 557 O ARG A 39 -4.305 -4.047 4.761 1.00 0.00 O ATOM 558 CB ARG A 39 -5.024 -4.201 7.820 1.00 0.00 C ATOM 559 CG ARG A 39 -5.467 -3.768 9.208 1.00 0.00 C ATOM 560 CD ARG A 39 -4.780 -4.584 10.292 1.00 0.00 C ATOM 561 NE ARG A 39 -4.975 -6.019 10.103 1.00 0.00 N ATOM 562 CZ ARG A 39 -4.588 -6.935 10.983 1.00 0.00 C ATOM 563 NH1 ARG A 39 -3.988 -6.568 12.107 1.00 0.00 N ATOM 564 NH2 ARG A 39 -4.801 -8.222 10.740 1.00 0.00 N ATOM 0 H ARG A 39 -6.819 -4.648 5.987 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.568 -2.239 7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.435 -5.188 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.938 -4.299 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.242 -2.711 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.548 -3.879 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.713 -4.360 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.168 -4.291 11.267 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.434 -6.335 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.823 -5.580 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.692 -7.274 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.262 -8.508 9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.503 -8.925 11.417 1.00 0.00 H new ATOM 578 N VAL A 40 -3.533 -2.151 5.693 1.00 0.00 N ATOM 579 CA VAL A 40 -2.460 -1.980 4.721 1.00 0.00 C ATOM 580 C VAL A 40 -1.124 -1.732 5.414 1.00 0.00 C ATOM 581 O VAL A 40 -0.983 -0.792 6.196 1.00 0.00 O ATOM 582 CB VAL A 40 -2.752 -0.812 3.761 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.600 -0.621 2.786 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.058 -1.048 3.017 1.00 0.00 C ATOM 0 H VAL A 40 -3.575 -1.424 6.407 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.403 -2.906 4.148 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.855 0.101 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.824 0.209 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.687 -0.403 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.462 -1.532 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.249 -0.213 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.987 -1.970 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.875 -1.130 3.734 1.00 0.00 H new ATOM 594 N THR A 41 -0.145 -2.583 5.122 1.00 0.00 N ATOM 595 CA THR A 41 1.179 -2.457 5.717 1.00 0.00 C ATOM 596 C THR A 41 2.238 -2.195 4.652 1.00 0.00 C ATOM 597 O THR A 41 2.504 -3.048 3.804 1.00 0.00 O ATOM 598 CB THR A 41 1.563 -3.723 6.506 1.00 0.00 C ATOM 599 OG1 THR A 41 1.375 -4.885 5.690 1.00 0.00 O ATOM 600 CG2 THR A 41 0.728 -3.846 7.772 1.00 0.00 C ATOM 0 H THR A 41 -0.245 -3.367 4.477 1.00 0.00 H new ATOM 0 HA THR A 41 1.139 -1.610 6.401 1.00 0.00 H new ATOM 0 HB THR A 41 2.613 -3.644 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.820 -4.754 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.017 -4.747 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.896 -2.974 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.328 -3.905 7.507 1.00 0.00 H new ATOM 608 N TYR A 42 2.840 -1.012 4.701 1.00 0.00 N ATOM 609 CA TYR A 42 3.869 -0.638 3.739 1.00 0.00 C ATOM 610 C TYR A 42 5.249 -0.634 4.391 1.00 0.00 C ATOM 611 O TYR A 42 5.402 -0.240 5.547 1.00 0.00 O ATOM 612 CB TYR A 42 3.568 0.741 3.149 1.00 0.00 C ATOM 613 CG TYR A 42 3.198 1.776 4.187 1.00 0.00 C ATOM 614 CD1 TYR A 42 4.178 2.501 4.853 1.00 0.00 C ATOM 615 CD2 TYR A 42 1.869 2.028 4.502 1.00 0.00 C ATOM 616 CE1 TYR A 42 3.845 3.448 5.803 1.00 0.00 C ATOM 617 CE2 TYR A 42 1.526 2.974 5.449 1.00 0.00 C ATOM 618 CZ TYR A 42 2.518 3.681 6.097 1.00 0.00 C ATOM 619 OH TYR A 42 2.181 4.622 7.042 1.00 0.00 O ATOM 0 H TYR A 42 2.633 -0.296 5.397 1.00 0.00 H new ATOM 0 HA TYR A 42 3.867 -1.377 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.441 1.089 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.752 0.650 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.218 2.322 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.090 1.475 3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.620 4.002 6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.487 3.159 5.681 1.00 0.00 H new ATOM 0 HH TYR A 42 1.206 4.664 7.129 1.00 0.00 H new ATOM 629 N VAL A 43 6.252 -1.077 3.639 1.00 0.00 N ATOM 630 CA VAL A 43 7.620 -1.124 4.141 1.00 0.00 C ATOM 631 C VAL A 43 8.619 -0.758 3.049 1.00 0.00 C ATOM 632 O VAL A 43 8.363 -0.967 1.864 1.00 0.00 O ATOM 633 CB VAL A 43 7.968 -2.519 4.693 1.00 0.00 C ATOM 634 CG1 VAL A 43 8.076 -3.529 3.562 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.258 -2.467 5.497 1.00 0.00 C ATOM 0 H VAL A 43 6.143 -1.408 2.680 1.00 0.00 H new ATOM 0 HA VAL A 43 7.686 -0.395 4.949 1.00 0.00 H new ATOM 0 HB VAL A 43 7.165 -2.838 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.322 -4.509 3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.125 -3.586 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.858 -3.218 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.489 -3.461 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.072 -2.126 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.139 -1.776 6.331 1.00 0.00 H new ATOM 645 N SER A 44 9.760 -0.211 3.457 1.00 0.00 N ATOM 646 CA SER A 44 10.797 0.188 2.513 1.00 0.00 C ATOM 647 C SER A 44 11.251 -1.001 1.671 1.00 0.00 C ATOM 648 O SER A 44 10.716 -2.103 1.793 1.00 0.00 O ATOM 649 CB SER A 44 11.993 0.785 3.259 1.00 0.00 C ATOM 650 OG SER A 44 12.557 -0.157 4.155 1.00 0.00 O ATOM 0 H SER A 44 9.989 -0.034 4.435 1.00 0.00 H new ATOM 0 HA SER A 44 10.378 0.944 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.748 1.108 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.677 1.671 3.809 1.00 0.00 H new ATOM 0 HG SER A 44 13.320 0.248 4.618 1.00 0.00 H new ATOM 714 N SER A 50 8.572 1.451 8.006 1.00 0.00 N ATOM 715 CA SER A 50 7.311 0.851 7.585 1.00 0.00 C ATOM 716 C SER A 50 6.139 1.455 8.353 1.00 0.00 C ATOM 717 O SER A 50 6.328 2.247 9.275 1.00 0.00 O ATOM 718 CB SER A 50 7.348 -0.664 7.795 1.00 0.00 C ATOM 719 OG SER A 50 7.714 -0.985 9.125 1.00 0.00 O ATOM 0 HA SER A 50 7.173 1.060 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.370 -1.089 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.058 -1.113 7.101 1.00 0.00 H new ATOM 0 HG SER A 50 8.383 -0.344 9.444 1.00 0.00 H new ATOM 725 N GLY A 51 4.926 1.073 7.965 1.00 0.00 N ATOM 726 CA GLY A 51 3.740 1.585 8.626 1.00 0.00 C ATOM 727 C GLY A 51 2.555 0.648 8.500 1.00 0.00 C ATOM 728 O GLY A 51 2.672 -0.435 7.927 1.00 0.00 O ATOM 0 H GLY A 51 4.744 0.418 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.958 1.749 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.480 2.554 8.200 1.00 0.00 H new ATOM 732 N GLN A 52 1.414 1.064 9.039 1.00 0.00 N ATOM 733 CA GLN A 52 0.204 0.252 8.986 1.00 0.00 C ATOM 734 C GLN A 52 -1.043 1.125 9.089 1.00 0.00 C ATOM 735 O GLN A 52 -1.358 1.652 10.157 1.00 0.00 O ATOM 736 CB GLN A 52 0.210 -0.785 10.111 1.00 0.00 C ATOM 737 CG GLN A 52 -1.013 -1.687 10.114 1.00 0.00 C ATOM 738 CD GLN A 52 -0.797 -2.960 10.907 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.413 -2.919 12.077 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.044 -4.101 10.275 1.00 0.00 N ATOM 0 H GLN A 52 1.302 1.958 9.517 1.00 0.00 H new ATOM 0 HA GLN A 52 0.185 -0.264 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.105 -1.401 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.273 -0.269 11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.860 -1.143 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.273 -1.943 9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.361 -4.089 9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.917 -4.990 10.759 1.00 0.00 H new ATOM 749 N THR A 53 -1.749 1.274 7.973 1.00 0.00 N ATOM 750 CA THR A 53 -2.960 2.084 7.938 1.00 0.00 C ATOM 751 C THR A 53 -4.205 1.208 7.854 1.00 0.00 C ATOM 752 O THR A 53 -4.163 0.105 7.311 1.00 0.00 O ATOM 753 CB THR A 53 -2.950 3.058 6.745 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.088 3.925 6.810 1.00 0.00 O ATOM 755 CG2 THR A 53 -2.961 2.299 5.426 1.00 0.00 C ATOM 0 H THR A 53 -1.503 0.844 7.081 1.00 0.00 H new ATOM 0 HA THR A 53 -2.984 2.657 8.865 1.00 0.00 H new ATOM 0 HB THR A 53 -2.037 3.652 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.073 4.542 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.954 3.008 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.079 1.662 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.858 1.683 5.368 1.00 0.00 H new ATOM 763 N GLU A 54 -5.312 1.708 8.395 1.00 0.00 N ATOM 764 CA GLU A 54 -6.569 0.969 8.380 1.00 0.00 C ATOM 765 C GLU A 54 -7.639 1.730 7.603 1.00 0.00 C ATOM 766 O GLU A 54 -7.786 2.943 7.754 1.00 0.00 O ATOM 767 CB GLU A 54 -7.050 0.709 9.809 1.00 0.00 C ATOM 768 CG GLU A 54 -6.501 -0.573 10.413 1.00 0.00 C ATOM 769 CD GLU A 54 -6.835 -0.715 11.885 1.00 0.00 C ATOM 770 OE1 GLU A 54 -6.948 0.323 12.571 1.00 0.00 O ATOM 771 OE2 GLU A 54 -6.984 -1.864 12.351 1.00 0.00 O ATOM 0 H GLU A 54 -5.364 2.620 8.848 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.394 0.015 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.761 1.550 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.139 0.666 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.903 -1.428 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.419 -0.595 10.286 1.00 0.00 H new ATOM 778 N ALA A 55 -8.382 1.009 6.769 1.00 0.00 N ATOM 779 CA ALA A 55 -9.438 1.615 5.969 1.00 0.00 C ATOM 780 C ALA A 55 -10.714 0.782 6.023 1.00 0.00 C ATOM 781 O ALA A 55 -10.696 -0.404 6.350 1.00 0.00 O ATOM 782 CB ALA A 55 -8.977 1.786 4.529 1.00 0.00 C ATOM 0 H ALA A 55 -8.271 0.005 6.630 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.659 2.597 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.776 2.240 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.097 2.429 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.727 0.812 4.109 1.00 0.00 H new ATOM 788 N PRO A 56 -11.850 1.416 5.694 1.00 0.00 N ATOM 789 CA PRO A 56 -13.157 0.751 5.698 1.00 0.00 C ATOM 790 C PRO A 56 -13.289 -0.274 4.577 1.00 0.00 C ATOM 791 O PRO A 56 -12.657 -0.147 3.528 1.00 0.00 O ATOM 792 CB PRO A 56 -14.141 1.904 5.487 1.00 0.00 C ATOM 793 CG PRO A 56 -13.353 2.951 4.778 1.00 0.00 C ATOM 794 CD PRO A 56 -11.946 2.829 5.293 1.00 0.00 C ATOM 0 HA PRO A 56 -13.327 0.190 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.000 1.588 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.526 2.274 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.388 2.802 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.756 3.944 4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.214 3.079 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.767 3.498 6.134 1.00 0.00 H new ATOM 802 N GLY A 57 -14.115 -1.290 4.804 1.00 0.00 N ATOM 803 CA GLY A 57 -14.315 -2.322 3.804 1.00 0.00 C ATOM 804 C GLY A 57 -14.949 -1.785 2.536 1.00 0.00 C ATOM 805 O GLY A 57 -15.074 -2.503 1.544 1.00 0.00 O ATOM 0 H GLY A 57 -14.650 -1.417 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.356 -2.779 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.947 -3.107 4.218 1.00 0.00 H new ATOM 809 N ASN A 58 -15.352 -0.519 2.568 1.00 0.00 N ATOM 810 CA ASN A 58 -15.978 0.113 1.412 1.00 0.00 C ATOM 811 C ASN A 58 -15.004 1.056 0.713 1.00 0.00 C ATOM 812 O ASN A 58 -15.376 1.773 -0.215 1.00 0.00 O ATOM 813 CB ASN A 58 -17.229 0.882 1.842 1.00 0.00 C ATOM 814 CG ASN A 58 -18.086 0.095 2.815 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.873 -0.762 2.413 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.936 0.384 4.102 1.00 0.00 N ATOM 0 H ASN A 58 -15.256 0.089 3.381 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.263 -0.671 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.932 1.824 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.820 1.131 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.485 -0.112 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.271 1.102 4.389 1.00 0.00 H new ATOM 823 N ALA A 59 -13.754 1.047 1.164 1.00 0.00 N ATOM 824 CA ALA A 59 -12.725 1.899 0.580 1.00 0.00 C ATOM 825 C ALA A 59 -11.952 1.159 -0.507 1.00 0.00 C ATOM 826 O ALA A 59 -11.384 0.094 -0.265 1.00 0.00 O ATOM 827 CB ALA A 59 -11.775 2.396 1.660 1.00 0.00 C ATOM 0 H ALA A 59 -13.429 0.459 1.932 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.216 2.757 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.012 3.031 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.333 2.969 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.298 1.544 2.145 1.00 0.00 H new ATOM 833 N THR A 60 -11.934 1.731 -1.707 1.00 0.00 N ATOM 834 CA THR A 60 -11.233 1.125 -2.832 1.00 0.00 C ATOM 835 C THR A 60 -9.938 1.869 -3.138 1.00 0.00 C ATOM 836 O THR A 60 -9.342 1.687 -4.199 1.00 0.00 O ATOM 837 CB THR A 60 -12.112 1.105 -4.097 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.451 2.443 -4.479 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.382 0.302 -3.861 1.00 0.00 C ATOM 0 H THR A 60 -12.397 2.613 -1.925 1.00 0.00 H new ATOM 0 HA THR A 60 -11.000 0.100 -2.544 1.00 0.00 H new ATOM 0 HB THR A 60 -11.546 0.631 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.008 2.422 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.986 0.302 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.121 -0.723 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.950 0.751 -3.046 1.00 0.00 H new ATOM 847 N SER A 61 -9.508 2.709 -2.201 1.00 0.00 N ATOM 848 CA SER A 61 -8.284 3.483 -2.372 1.00 0.00 C ATOM 849 C SER A 61 -7.840 4.097 -1.048 1.00 0.00 C ATOM 850 O SER A 61 -8.664 4.543 -0.251 1.00 0.00 O ATOM 851 CB SER A 61 -8.495 4.585 -3.413 1.00 0.00 C ATOM 852 OG SER A 61 -9.686 5.308 -3.156 1.00 0.00 O ATOM 0 H SER A 61 -9.989 2.871 -1.316 1.00 0.00 H new ATOM 0 HA SER A 61 -7.502 2.808 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.644 5.266 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.541 4.145 -4.409 1.00 0.00 H new ATOM 0 HG SER A 61 -9.797 6.007 -3.834 1.00 0.00 H new ATOM 858 N ALA A 62 -6.531 4.115 -0.822 1.00 0.00 N ATOM 859 CA ALA A 62 -5.975 4.676 0.404 1.00 0.00 C ATOM 860 C ALA A 62 -4.640 5.362 0.138 1.00 0.00 C ATOM 861 O ALA A 62 -3.953 5.048 -0.834 1.00 0.00 O ATOM 862 CB ALA A 62 -5.812 3.588 1.455 1.00 0.00 C ATOM 0 H ALA A 62 -5.835 3.748 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.670 5.427 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.396 4.021 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.784 3.146 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.139 2.817 1.079 1.00 0.00 H new ATOM 868 N MET A 63 -4.278 6.299 1.008 1.00 0.00 N ATOM 869 CA MET A 63 -3.023 7.029 0.866 1.00 0.00 C ATOM 870 C MET A 63 -1.973 6.499 1.837 1.00 0.00 C ATOM 871 O MET A 63 -2.306 5.951 2.889 1.00 0.00 O ATOM 872 CB MET A 63 -3.248 8.523 1.106 1.00 0.00 C ATOM 873 CG MET A 63 -4.044 9.203 0.004 1.00 0.00 C ATOM 874 SD MET A 63 -3.622 10.946 -0.185 1.00 0.00 S ATOM 875 CE MET A 63 -2.271 10.842 -1.357 1.00 0.00 C ATOM 0 H MET A 63 -4.835 6.571 1.818 1.00 0.00 H new ATOM 0 HA MET A 63 -2.659 6.882 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.769 8.656 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.281 9.017 1.202 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.866 8.686 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.108 9.113 0.221 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.809 11.823 -1.467 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.529 10.130 -0.995 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.652 10.510 -2.323 1.00 0.00 H new ATOM 885 N LEU A 64 -0.705 6.664 1.477 1.00 0.00 N ATOM 886 CA LEU A 64 0.395 6.201 2.317 1.00 0.00 C ATOM 887 C LEU A 64 1.458 7.285 2.467 1.00 0.00 C ATOM 888 O LEU A 64 1.715 8.050 1.539 1.00 0.00 O ATOM 889 CB LEU A 64 1.019 4.937 1.723 1.00 0.00 C ATOM 890 CG LEU A 64 0.039 3.857 1.264 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.757 2.800 0.440 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.654 3.222 2.461 1.00 0.00 C ATOM 0 H LEU A 64 -0.413 7.115 0.610 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.005 5.971 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.635 5.226 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.686 4.501 2.467 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.719 4.325 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.044 2.040 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.206 3.266 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.537 2.336 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.348 2.456 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.091 2.769 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.202 3.986 3.012 1.00 0.00 H new ATOM 904 N GLY A 65 2.076 7.342 3.644 1.00 0.00 N ATOM 905 CA GLY A 65 3.106 8.333 3.893 1.00 0.00 C ATOM 906 C GLY A 65 3.170 8.748 5.350 1.00 0.00 C ATOM 907 O GLY A 65 2.344 8.345 6.169 1.00 0.00 O ATOM 0 H GLY A 65 1.881 6.720 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.073 7.932 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.918 9.212 3.276 1.00 0.00 H new ATOM 911 N PRO A 66 4.173 9.571 5.691 1.00 0.00 N ATOM 912 CA PRO A 66 5.162 10.056 4.724 1.00 0.00 C ATOM 913 C PRO A 66 6.100 8.951 4.251 1.00 0.00 C ATOM 914 O PRO A 66 6.618 8.175 5.055 1.00 0.00 O ATOM 915 CB PRO A 66 5.938 11.114 5.512 1.00 0.00 C ATOM 916 CG PRO A 66 5.781 10.716 6.939 1.00 0.00 C ATOM 917 CD PRO A 66 4.418 10.091 7.047 1.00 0.00 C ATOM 0 HA PRO A 66 4.693 10.438 3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.988 11.134 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.539 12.112 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.558 10.011 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.867 11.581 7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.398 9.296 7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.663 10.821 7.340 1.00 0.00 H new ATOM 925 N LEU A 67 6.315 8.884 2.942 1.00 0.00 N ATOM 926 CA LEU A 67 7.192 7.874 2.360 1.00 0.00 C ATOM 927 C LEU A 67 8.486 8.502 1.854 1.00 0.00 C ATOM 928 O LEU A 67 8.644 9.723 1.872 1.00 0.00 O ATOM 929 CB LEU A 67 6.481 7.150 1.216 1.00 0.00 C ATOM 930 CG LEU A 67 5.024 6.762 1.469 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.435 6.071 0.249 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.916 5.867 2.695 1.00 0.00 C ATOM 0 H LEU A 67 5.894 9.518 2.263 1.00 0.00 H new ATOM 0 HA LEU A 67 7.441 7.153 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.518 7.786 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.041 6.245 0.982 1.00 0.00 H new ATOM 0 HG LEU A 67 4.453 7.672 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.398 5.802 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.477 6.745 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.007 5.170 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.872 5.601 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.501 4.961 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.297 6.397 3.567 1.00 0.00 H new ATOM 944 N SER A 68 9.409 7.660 1.400 1.00 0.00 N ATOM 945 CA SER A 68 10.691 8.132 0.890 1.00 0.00 C ATOM 946 C SER A 68 10.587 8.491 -0.589 1.00 0.00 C ATOM 947 O SER A 68 9.519 8.387 -1.191 1.00 0.00 O ATOM 948 CB SER A 68 11.769 7.066 1.094 1.00 0.00 C ATOM 949 OG SER A 68 13.013 7.492 0.565 1.00 0.00 O ATOM 0 H SER A 68 9.293 6.647 1.375 1.00 0.00 H new ATOM 0 HA SER A 68 10.968 9.028 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.876 6.852 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.463 6.138 0.611 1.00 0.00 H new ATOM 0 HG SER A 68 13.323 6.845 -0.103 1.00 0.00 H new ATOM 955 N SER A 69 11.706 8.915 -1.169 1.00 0.00 N ATOM 956 CA SER A 69 11.742 9.293 -2.576 1.00 0.00 C ATOM 957 C SER A 69 12.544 8.283 -3.390 1.00 0.00 C ATOM 958 O SER A 69 13.470 7.652 -2.879 1.00 0.00 O ATOM 959 CB SER A 69 12.347 10.689 -2.736 1.00 0.00 C ATOM 960 OG SER A 69 13.630 10.760 -2.138 1.00 0.00 O ATOM 0 H SER A 69 12.599 9.005 -0.685 1.00 0.00 H new ATOM 0 HA SER A 69 10.718 9.303 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.421 10.937 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.689 11.429 -2.281 1.00 0.00 H new ATOM 0 HG SER A 69 13.996 11.661 -2.255 1.00 0.00 H new ATOM 966 N SER A 70 12.183 8.135 -4.661 1.00 0.00 N ATOM 967 CA SER A 70 12.865 7.198 -5.546 1.00 0.00 C ATOM 968 C SER A 70 13.190 5.898 -4.816 1.00 0.00 C ATOM 969 O SER A 70 14.191 5.242 -5.106 1.00 0.00 O ATOM 970 CB SER A 70 14.150 7.824 -6.092 1.00 0.00 C ATOM 971 OG SER A 70 14.859 6.906 -6.905 1.00 0.00 O ATOM 0 H SER A 70 11.422 8.652 -5.101 1.00 0.00 H new ATOM 0 HA SER A 70 12.198 6.970 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.907 8.715 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.782 8.145 -5.264 1.00 0.00 H new ATOM 0 HG SER A 70 15.081 6.109 -6.381 1.00 0.00 H new ATOM 977 N THR A 71 12.335 5.532 -3.866 1.00 0.00 N ATOM 978 CA THR A 71 12.530 4.312 -3.093 1.00 0.00 C ATOM 979 C THR A 71 11.352 3.359 -3.263 1.00 0.00 C ATOM 980 O THR A 71 10.202 3.726 -3.022 1.00 0.00 O ATOM 981 CB THR A 71 12.713 4.619 -1.594 1.00 0.00 C ATOM 982 OG1 THR A 71 13.829 5.496 -1.408 1.00 0.00 O ATOM 983 CG2 THR A 71 12.929 3.339 -0.801 1.00 0.00 C ATOM 0 H THR A 71 11.501 6.063 -3.614 1.00 0.00 H new ATOM 0 HA THR A 71 13.435 3.839 -3.473 1.00 0.00 H new ATOM 0 HB THR A 71 11.806 5.103 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.663 6.341 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.056 3.582 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.065 2.686 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.822 2.831 -1.166 1.00 0.00 H new ATOM 991 N THR A 72 11.646 2.131 -3.680 1.00 0.00 N ATOM 992 CA THR A 72 10.611 1.125 -3.884 1.00 0.00 C ATOM 993 C THR A 72 10.086 0.599 -2.553 1.00 0.00 C ATOM 994 O THR A 72 10.810 -0.060 -1.806 1.00 0.00 O ATOM 995 CB THR A 72 11.135 -0.058 -4.720 1.00 0.00 C ATOM 996 OG1 THR A 72 11.631 0.412 -5.978 1.00 0.00 O ATOM 997 CG2 THR A 72 10.036 -1.084 -4.954 1.00 0.00 C ATOM 0 H THR A 72 12.592 1.809 -3.883 1.00 0.00 H new ATOM 0 HA THR A 72 9.799 1.611 -4.425 1.00 0.00 H new ATOM 0 HB THR A 72 11.944 -0.535 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.909 0.859 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.430 -1.910 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.681 -1.462 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.209 -0.616 -5.488 1.00 0.00 H new ATOM 1005 N TYR A 73 8.824 0.893 -2.262 1.00 0.00 N ATOM 1006 CA TYR A 73 8.203 0.451 -1.020 1.00 0.00 C ATOM 1007 C TYR A 73 7.199 -0.668 -1.280 1.00 0.00 C ATOM 1008 O TYR A 73 6.399 -0.597 -2.214 1.00 0.00 O ATOM 1009 CB TYR A 73 7.507 1.624 -0.327 1.00 0.00 C ATOM 1010 CG TYR A 73 8.392 2.361 0.652 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.548 3.004 0.226 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.073 2.414 2.003 1.00 0.00 C ATOM 1013 CE1 TYR A 73 10.360 3.678 1.118 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.878 3.087 2.902 1.00 0.00 C ATOM 1015 CZ TYR A 73 10.021 3.717 2.454 1.00 0.00 C ATOM 1016 OH TYR A 73 10.827 4.387 3.346 1.00 0.00 O ATOM 0 H TYR A 73 8.211 1.436 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 73 8.988 0.066 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.155 2.325 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.627 1.254 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.816 2.976 -0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.180 1.920 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.256 4.172 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.614 3.120 3.949 1.00 0.00 H new ATOM 0 HH TYR A 73 10.446 4.319 4.246 1.00 0.00 H new ATOM 1026 N THR A 74 7.247 -1.703 -0.447 1.00 0.00 N ATOM 1027 CA THR A 74 6.344 -2.838 -0.586 1.00 0.00 C ATOM 1028 C THR A 74 5.035 -2.593 0.154 1.00 0.00 C ATOM 1029 O THR A 74 5.007 -2.528 1.383 1.00 0.00 O ATOM 1030 CB THR A 74 6.986 -4.135 -0.056 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.302 -4.287 -0.598 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.139 -5.345 -0.419 1.00 0.00 C ATOM 0 H THR A 74 7.902 -1.778 0.331 1.00 0.00 H new ATOM 0 HA THR A 74 6.140 -2.951 -1.651 1.00 0.00 H new ATOM 0 HB THR A 74 7.047 -4.067 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.704 -5.112 -0.255 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.612 -6.249 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.147 -5.240 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.050 -5.415 -1.503 1.00 0.00 H new ATOM 1040 N VAL A 75 3.949 -2.459 -0.601 1.00 0.00 N ATOM 1041 CA VAL A 75 2.635 -2.223 -0.016 1.00 0.00 C ATOM 1042 C VAL A 75 1.801 -3.499 -0.004 1.00 0.00 C ATOM 1043 O VAL A 75 1.633 -4.152 -1.034 1.00 0.00 O ATOM 1044 CB VAL A 75 1.868 -1.128 -0.782 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.513 -0.875 -0.137 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.687 0.153 -0.842 1.00 0.00 C ATOM 0 H VAL A 75 3.954 -2.510 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 75 2.800 -1.891 1.009 1.00 0.00 H new ATOM 0 HB VAL A 75 1.699 -1.472 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.015 -0.099 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.074 -1.793 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.656 -0.551 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.130 0.916 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.888 0.504 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.630 -0.042 -1.353 1.00 0.00 H new ATOM 1056 N ARG A 76 1.280 -3.848 1.167 1.00 0.00 N ATOM 1057 CA ARG A 76 0.463 -5.047 1.313 1.00 0.00 C ATOM 1058 C ARG A 76 -0.951 -4.690 1.762 1.00 0.00 C ATOM 1059 O ARG A 76 -1.167 -4.281 2.903 1.00 0.00 O ATOM 1060 CB ARG A 76 1.103 -6.006 2.319 1.00 0.00 C ATOM 1061 CG ARG A 76 0.826 -7.471 2.024 1.00 0.00 C ATOM 1062 CD ARG A 76 1.900 -8.072 1.131 1.00 0.00 C ATOM 1063 NE ARG A 76 3.217 -8.043 1.762 1.00 0.00 N ATOM 1064 CZ ARG A 76 4.293 -8.626 1.246 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.209 -9.281 0.096 1.00 0.00 N ATOM 1066 NH2 ARG A 76 5.456 -8.556 1.880 1.00 0.00 N ATOM 0 H ARG A 76 1.409 -3.318 2.029 1.00 0.00 H new ATOM 0 HA ARG A 76 0.404 -5.537 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.181 -5.843 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.736 -5.769 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.775 -8.028 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.147 -7.569 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.636 -9.102 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.937 -7.524 0.190 1.00 0.00 H new ATOM 0 HE ARG A 76 3.316 -7.548 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.316 -9.338 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.037 -9.728 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.525 -8.054 2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.281 -9.004 1.482 1.00 0.00 H new ATOM 1080 N VAL A 77 -1.911 -4.848 0.856 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.304 -4.543 1.159 1.00 0.00 C ATOM 1082 C VAL A 77 -4.062 -5.797 1.581 1.00 0.00 C ATOM 1083 O VAL A 77 -4.475 -6.600 0.743 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.016 -3.911 -0.052 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.483 -3.660 0.262 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.322 -2.621 -0.463 1.00 0.00 C ATOM 0 H VAL A 77 -1.749 -5.185 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.300 -3.829 1.983 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.963 -4.608 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.969 -3.213 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.970 -4.605 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.562 -2.982 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.838 -2.187 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.343 -1.916 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.287 -2.834 -0.732 1.00 0.00 H new ATOM 1096 N THR A 78 -4.242 -5.961 2.888 1.00 0.00 N ATOM 1097 CA THR A 78 -4.950 -7.117 3.423 1.00 0.00 C ATOM 1098 C THR A 78 -6.364 -6.746 3.854 1.00 0.00 C ATOM 1099 O THR A 78 -6.554 -5.895 4.724 1.00 0.00 O ATOM 1100 CB THR A 78 -4.202 -7.726 4.625 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.809 -7.854 4.321 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.775 -9.089 4.984 1.00 0.00 C ATOM 0 H THR A 78 -3.907 -5.307 3.596 1.00 0.00 H new ATOM 0 HA THR A 78 -5.000 -7.855 2.623 1.00 0.00 H new ATOM 0 HB THR A 78 -4.327 -7.060 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.340 -8.240 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.231 -9.500 5.835 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.829 -8.984 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.676 -9.761 4.132 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.352 -7.389 3.242 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.750 -7.125 3.563 1.00 0.00 C ATOM 1112 C CYS A 79 -9.302 -8.191 4.505 1.00 0.00 C ATOM 1113 O CYS A 79 -9.438 -9.356 4.129 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.588 -7.074 2.285 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.028 -5.843 1.085 1.00 0.00 S ATOM 0 H CYS A 79 -7.211 -8.097 2.521 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.806 -6.158 4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.574 -8.057 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.624 -6.862 2.550 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.797 -5.877 0.037 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.617 -7.785 5.730 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.152 -8.706 6.727 1.00 0.00 C ATOM 1123 C LEU A 80 -11.668 -8.823 6.601 1.00 0.00 C ATOM 1124 O LEU A 80 -12.406 -7.924 7.006 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.781 -8.236 8.134 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.437 -8.728 8.673 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.319 -10.236 8.519 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.289 -8.026 7.962 1.00 0.00 C ATOM 0 H LEU A 80 -9.511 -6.825 6.057 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.714 -9.689 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.776 -7.146 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.565 -8.556 8.821 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.383 -8.487 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.356 -10.567 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.121 -10.722 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.395 -10.501 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.340 -8.388 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.340 -8.236 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.363 -6.951 8.125 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.125 -9.936 6.039 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.553 -10.171 5.859 1.00 0.00 C ATOM 1142 C TYR A 81 -14.219 -10.517 7.187 1.00 0.00 C ATOM 1143 O TYR A 81 -13.637 -11.172 8.051 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.783 -11.298 4.851 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.013 -11.124 3.562 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.255 -10.041 2.726 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.042 -12.043 3.180 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.554 -9.879 1.546 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.336 -11.887 2.003 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.596 -10.804 1.190 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.894 -10.645 0.016 1.00 0.00 O ATOM 0 H TYR A 81 -11.528 -10.690 5.700 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.001 -9.254 5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.500 -12.246 5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.847 -11.359 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.004 -9.313 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.836 -12.893 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.756 -9.032 0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.584 -12.609 1.721 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.046 -11.420 -0.564 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.472 -10.067 7.355 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.247 -10.317 8.574 1.00 0.00 C ATOM 1163 C PRO A 82 -16.650 -11.781 8.714 1.00 0.00 C ATOM 1164 O PRO A 82 -17.735 -12.179 8.293 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.485 -9.436 8.393 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.627 -9.278 6.919 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.228 -9.279 6.367 1.00 0.00 C ATOM 0 HA PRO A 82 -15.675 -10.093 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.369 -9.902 8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.359 -8.471 8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.215 -10.091 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.143 -8.350 6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.187 -9.731 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.833 -8.268 6.272 1.00 0.00 H new ATOM 1207 N SER A 87 -8.108 -11.891 2.227 1.00 0.00 N ATOM 1208 CA SER A 87 -7.277 -11.732 1.039 1.00 0.00 C ATOM 1209 C SER A 87 -6.169 -10.712 1.283 1.00 0.00 C ATOM 1210 O SER A 87 -6.326 -9.784 2.077 1.00 0.00 O ATOM 1211 CB SER A 87 -8.133 -11.297 -0.153 1.00 0.00 C ATOM 1212 OG SER A 87 -7.396 -11.364 -1.361 1.00 0.00 O ATOM 0 HA SER A 87 -6.817 -12.695 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.014 -11.935 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.489 -10.279 0.003 1.00 0.00 H new ATOM 0 HG SER A 87 -7.616 -10.591 -1.921 1.00 0.00 H new ATOM 1218 N THR A 88 -5.046 -10.891 0.593 1.00 0.00 N ATOM 1219 CA THR A 88 -3.911 -9.988 0.735 1.00 0.00 C ATOM 1220 C THR A 88 -3.316 -9.635 -0.623 1.00 0.00 C ATOM 1221 O THR A 88 -2.631 -10.449 -1.244 1.00 0.00 O ATOM 1222 CB THR A 88 -2.810 -10.605 1.619 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.381 -11.106 2.833 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.737 -9.577 1.944 1.00 0.00 C ATOM 0 H THR A 88 -4.899 -11.653 -0.069 1.00 0.00 H new ATOM 0 HA THR A 88 -4.286 -9.082 1.212 1.00 0.00 H new ATOM 0 HB THR A 88 -2.349 -11.425 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.676 -11.498 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.971 -10.036 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.284 -9.219 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.186 -8.739 2.477 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.582 -8.417 -1.081 1.00 0.00 N ATOM 1233 CA LEU A 89 -3.072 -7.954 -2.367 1.00 0.00 C ATOM 1234 C LEU A 89 -1.716 -7.276 -2.204 1.00 0.00 C ATOM 1235 O LEU A 89 -1.619 -6.185 -1.640 1.00 0.00 O ATOM 1236 CB LEU A 89 -4.065 -6.986 -3.014 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.184 -7.623 -3.838 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.349 -6.659 -3.992 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.662 -8.055 -5.201 1.00 0.00 C ATOM 0 H LEU A 89 -4.148 -7.732 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.947 -8.823 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.519 -6.383 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.510 -6.304 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.540 -8.508 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.136 -7.130 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.739 -6.399 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.009 -5.755 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.472 -8.506 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.279 -7.186 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.861 -8.782 -5.070 1.00 0.00 H new ATOM 1251 N THR A 90 -0.670 -7.928 -2.702 1.00 0.00 N ATOM 1252 CA THR A 90 0.681 -7.388 -2.613 1.00 0.00 C ATOM 1253 C THR A 90 0.992 -6.484 -3.800 1.00 0.00 C ATOM 1254 O THR A 90 0.689 -6.821 -4.945 1.00 0.00 O ATOM 1255 CB THR A 90 1.732 -8.512 -2.548 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.161 -8.857 -3.870 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.167 -9.742 -1.855 1.00 0.00 C ATOM 0 H THR A 90 -0.733 -8.831 -3.171 1.00 0.00 H new ATOM 0 HA THR A 90 0.728 -6.804 -1.694 1.00 0.00 H new ATOM 0 HB THR A 90 2.584 -8.151 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.830 -9.571 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.928 -10.522 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.868 -9.482 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.300 -10.104 -2.407 1.00 0.00 H new ATOM 1265 N GLY A 91 1.598 -5.335 -3.521 1.00 0.00 N ATOM 1266 CA GLY A 91 1.940 -4.400 -4.577 1.00 0.00 C ATOM 1267 C GLY A 91 3.030 -3.431 -4.164 1.00 0.00 C ATOM 1268 O GLY A 91 3.045 -2.950 -3.031 1.00 0.00 O ATOM 0 H GLY A 91 1.859 -5.034 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.266 -4.954 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.050 -3.840 -4.864 1.00 0.00 H new ATOM 1272 N ARG A 92 3.946 -3.146 -5.084 1.00 0.00 N ATOM 1273 CA ARG A 92 5.047 -2.231 -4.808 1.00 0.00 C ATOM 1274 C ARG A 92 4.836 -0.897 -5.518 1.00 0.00 C ATOM 1275 O ARG A 92 4.247 -0.843 -6.598 1.00 0.00 O ATOM 1276 CB ARG A 92 6.375 -2.850 -5.246 1.00 0.00 C ATOM 1277 CG ARG A 92 6.881 -3.934 -4.308 1.00 0.00 C ATOM 1278 CD ARG A 92 8.185 -4.538 -4.806 1.00 0.00 C ATOM 1279 NE ARG A 92 8.606 -5.676 -3.993 1.00 0.00 N ATOM 1280 CZ ARG A 92 8.108 -6.900 -4.127 1.00 0.00 C ATOM 1281 NH1 ARG A 92 7.175 -7.143 -5.037 1.00 0.00 N ATOM 1282 NH2 ARG A 92 8.543 -7.884 -3.350 1.00 0.00 N ATOM 0 H ARG A 92 3.947 -3.536 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 92 5.076 -2.050 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.258 -3.271 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.126 -2.064 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.030 -3.515 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.128 -4.717 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.065 -4.857 -5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.965 -3.776 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 92 9.322 -5.522 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.838 -6.389 -5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.794 -8.084 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.261 -7.701 -2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.160 -8.823 -3.454 1.00 0.00 H new ATOM 1296 N VAL A 93 5.321 0.178 -4.905 1.00 0.00 N ATOM 1297 CA VAL A 93 5.186 1.511 -5.478 1.00 0.00 C ATOM 1298 C VAL A 93 6.454 2.331 -5.267 1.00 0.00 C ATOM 1299 O VAL A 93 6.799 2.684 -4.139 1.00 0.00 O ATOM 1300 CB VAL A 93 3.992 2.268 -4.867 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.045 2.210 -3.348 1.00 0.00 C ATOM 1302 CG2 VAL A 93 3.968 3.708 -5.354 1.00 0.00 C ATOM 0 H VAL A 93 5.811 0.151 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 93 5.015 1.379 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 93 3.071 1.784 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.194 2.750 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.009 1.170 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.970 2.668 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.118 4.227 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.891 4.207 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.878 3.723 -6.440 1.00 0.00 H new ATOM 1312 N THR A 94 7.147 2.632 -6.362 1.00 0.00 N ATOM 1313 CA THR A 94 8.378 3.410 -6.297 1.00 0.00 C ATOM 1314 C THR A 94 8.081 4.899 -6.164 1.00 0.00 C ATOM 1315 O THR A 94 7.694 5.555 -7.132 1.00 0.00 O ATOM 1316 CB THR A 94 9.252 3.181 -7.545 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.627 1.802 -7.635 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.501 4.049 -7.497 1.00 0.00 C ATOM 0 H THR A 94 6.876 2.349 -7.304 1.00 0.00 H new ATOM 0 HA THR A 94 8.921 3.071 -5.415 1.00 0.00 H new ATOM 0 HB THR A 94 8.670 3.457 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.181 1.665 -8.432 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.103 3.870 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.213 5.099 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.083 3.800 -6.610 1.00 0.00 H new ATOM 1326 N THR A 95 8.265 5.429 -4.959 1.00 0.00 N ATOM 1327 CA THR A 95 8.016 6.841 -4.699 1.00 0.00 C ATOM 1328 C THR A 95 8.674 7.719 -5.757 1.00 0.00 C ATOM 1329 O THR A 95 9.825 7.497 -6.136 1.00 0.00 O ATOM 1330 CB THR A 95 8.534 7.256 -3.309 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.798 6.634 -3.052 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.542 6.869 -2.224 1.00 0.00 C ATOM 0 H THR A 95 8.586 4.901 -4.147 1.00 0.00 H new ATOM 0 HA THR A 95 6.936 6.983 -4.733 1.00 0.00 H new ATOM 0 HB THR A 95 8.654 8.339 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.829 6.328 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.930 7.172 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.590 7.368 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.394 5.789 -2.235 1.00 0.00 H new ATOM 1340 N LYS A 96 7.939 8.719 -6.231 1.00 0.00 N ATOM 1341 CA LYS A 96 8.451 9.633 -7.245 1.00 0.00 C ATOM 1342 C LYS A 96 9.732 10.310 -6.770 1.00 0.00 C ATOM 1343 O LYS A 96 10.077 10.251 -5.589 1.00 0.00 O ATOM 1344 CB LYS A 96 7.399 10.691 -7.586 1.00 0.00 C ATOM 1345 CG LYS A 96 6.000 10.124 -7.756 1.00 0.00 C ATOM 1346 CD LYS A 96 5.210 10.894 -8.801 1.00 0.00 C ATOM 1347 CE LYS A 96 4.221 9.995 -9.527 1.00 0.00 C ATOM 1348 NZ LYS A 96 3.905 10.504 -10.890 1.00 0.00 N ATOM 0 H LYS A 96 6.985 8.917 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 96 8.677 9.053 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.384 11.444 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.691 11.198 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.064 9.075 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.474 10.159 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.674 11.714 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.896 11.339 -9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.633 8.988 -9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.302 9.921 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.228 9.863 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.489 11.454 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.777 10.550 -11.454 1.00 0.00 H new ATOM 1362 N LYS A 97 10.435 10.954 -7.696 1.00 0.00 N ATOM 1363 CA LYS A 97 11.677 11.645 -7.372 1.00 0.00 C ATOM 1364 C LYS A 97 11.397 12.946 -6.625 1.00 0.00 C ATOM 1365 O LYS A 97 10.474 13.683 -6.969 1.00 0.00 O ATOM 1366 CB LYS A 97 12.470 11.937 -8.648 1.00 0.00 C ATOM 1367 CG LYS A 97 13.357 10.786 -9.089 1.00 0.00 C ATOM 1368 CD LYS A 97 14.336 11.219 -10.167 1.00 0.00 C ATOM 1369 CE LYS A 97 15.011 10.023 -10.820 1.00 0.00 C ATOM 1370 NZ LYS A 97 16.271 9.646 -10.121 1.00 0.00 N ATOM 0 H LYS A 97 10.165 11.012 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 97 12.267 10.995 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.774 12.177 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.088 12.820 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.907 10.399 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.738 9.971 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.811 11.800 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.092 11.872 -9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.327 9.174 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.229 10.254 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.700 8.827 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.934 10.447 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.060 9.401 -9.133 1.00 0.00 H new ATOM 1384 N ALA A 98 12.201 13.221 -5.604 1.00 0.00 N ATOM 1385 CA ALA A 98 12.042 14.434 -4.812 1.00 0.00 C ATOM 1386 C ALA A 98 12.803 15.600 -5.433 1.00 0.00 C ATOM 1387 O ALA A 98 13.886 15.436 -5.996 1.00 0.00 O ATOM 1388 CB ALA A 98 12.510 14.197 -3.383 1.00 0.00 C ATOM 0 H ALA A 98 12.969 12.620 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 98 10.983 14.692 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.385 15.111 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.918 13.399 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.562 13.911 -3.387 1.00 0.00 H new