USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 663 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 112 THR OG1 : rot 180:sc= -1.32 USER MOD Set 1.2: A 121 GLN : amide:sc= 0 X(o=-1.3,f=-1.5) USER MOD Set 2.1: A 89 THR OG1 : rot 139:sc= -1.45 USER MOD Set 2.2: A 94 SER OG : rot -119:sc= 1.63! USER MOD Set 3.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.264 F(o=-1,f=-0.26) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.13 F(o=-2.1,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -160:sc= 0 USER MOD Single : A 40 THR OG1 : rot 83:sc= 0.773 USER MOD Single : A 44 GLN : amide:sc= -0.811 X(o=-0.81,f=-0.86) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -85:sc= 0.708 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 35:sc= 0.277 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -4.43! C(o=-4.4!,f=-7.7!) USER MOD Single : A 123 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.6!) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 3 24.207 7.435 -4.929 0.50 0.00 N ATOM 45 CA GLU A 3 23.976 7.848 -3.512 0.50 0.00 C ATOM 46 C GLU A 3 23.230 6.754 -2.737 0.50 0.00 C ATOM 47 O GLU A 3 22.456 6.010 -3.306 0.50 0.00 O ATOM 48 CB GLU A 3 23.121 9.113 -3.604 0.50 0.00 C ATOM 49 CG GLU A 3 23.941 10.238 -4.240 0.50 0.00 C ATOM 50 CD GLU A 3 23.441 11.589 -3.723 0.50 0.00 C ATOM 51 OE1 GLU A 3 23.352 11.745 -2.516 0.50 0.00 O ATOM 52 OE2 GLU A 3 23.154 12.446 -4.544 0.50 0.00 O ATOM 0 HA GLU A 3 24.913 8.019 -2.982 0.50 0.00 H new ATOM 0 HB2 GLU A 3 22.228 8.919 -4.198 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.785 9.410 -2.611 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.997 10.113 -4.000 0.50 0.00 H new ATOM 0 HG3 GLU A 3 23.854 10.197 -5.326 0.50 0.00 H new ATOM 59 N PRO A 4 23.486 6.697 -1.451 0.50 0.00 N ATOM 60 CA PRO A 4 22.829 5.689 -0.577 0.50 0.00 C ATOM 61 C PRO A 4 21.321 5.950 -0.473 0.50 0.00 C ATOM 62 O PRO A 4 20.900 7.059 -0.210 0.50 0.00 O ATOM 63 CB PRO A 4 23.516 5.884 0.774 0.50 0.00 C ATOM 64 CG PRO A 4 24.022 7.287 0.739 0.50 0.00 C ATOM 65 CD PRO A 4 24.401 7.555 -0.691 0.50 0.00 C ATOM 0 HA PRO A 4 22.925 4.672 -0.957 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.819 5.734 1.599 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.330 5.172 0.911 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.257 7.986 1.078 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.880 7.409 1.400 0.50 0.00 H new ATOM 0 HD2 PRO A 4 24.275 8.606 -0.950 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.443 7.302 -0.885 0.50 0.00 H new ATOM 73 N PRO A 5 20.555 4.907 -0.684 0.50 0.00 N ATOM 74 CA PRO A 5 19.074 5.013 -0.611 0.50 0.00 C ATOM 75 C PRO A 5 18.629 5.207 0.839 0.50 0.00 C ATOM 76 O PRO A 5 19.175 4.610 1.746 0.50 0.00 O ATOM 77 CB PRO A 5 18.598 3.660 -1.133 0.50 0.00 C ATOM 78 CG PRO A 5 19.732 2.734 -0.856 0.50 0.00 C ATOM 79 CD PRO A 5 20.987 3.540 -1.006 0.50 0.00 C ATOM 0 HA PRO A 5 18.675 5.856 -1.176 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.689 3.337 -0.627 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.371 3.703 -2.198 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.656 2.318 0.149 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.725 1.894 -1.551 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.769 3.196 -0.329 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.389 3.473 -2.017 0.50 0.00 H new ATOM 87 N LYS A 6 17.640 6.030 1.070 0.50 0.00 N ATOM 88 CA LYS A 6 17.170 6.243 2.471 0.50 0.00 C ATOM 89 C LYS A 6 15.870 7.049 2.494 0.50 0.00 C ATOM 90 O LYS A 6 15.622 7.875 1.638 0.50 0.00 O ATOM 91 CB LYS A 6 18.297 7.014 3.163 0.50 0.00 C ATOM 92 CG LYS A 6 18.583 8.310 2.401 0.50 0.00 C ATOM 93 CD LYS A 6 19.719 9.066 3.092 0.50 0.00 C ATOM 94 CE LYS A 6 19.875 10.450 2.455 0.50 0.00 C ATOM 95 NZ LYS A 6 20.534 11.281 3.502 0.50 0.00 N ATOM 0 H LYS A 6 17.141 6.560 0.356 0.50 0.00 H new ATOM 0 HA LYS A 6 16.956 5.299 2.972 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.017 7.241 4.192 0.50 0.00 H new ATOM 0 HB3 LYS A 6 19.197 6.400 3.206 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.855 8.086 1.370 0.50 0.00 H new ATOM 0 HG3 LYS A 6 17.687 8.930 2.367 0.50 0.00 H new ATOM 0 HD2 LYS A 6 19.508 9.166 4.157 0.50 0.00 H new ATOM 0 HD3 LYS A 6 20.650 8.506 3.002 0.50 0.00 H new ATOM 0 HE2 LYS A 6 20.480 10.402 1.549 0.50 0.00 H new ATOM 0 HE3 LYS A 6 18.908 10.866 2.171 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 20.676 12.246 3.141 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 19.932 11.313 4.349 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 21.455 10.864 3.747 0.50 0.00 H new ATOM 109 N ILE A 7 15.044 6.812 3.479 0.50 0.00 N ATOM 110 CA ILE A 7 13.756 7.557 3.588 0.50 0.00 C ATOM 111 C ILE A 7 14.030 9.027 3.930 0.50 0.00 C ATOM 112 O ILE A 7 13.658 9.509 4.982 0.50 0.00 O ATOM 113 CB ILE A 7 12.997 6.868 4.733 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.920 5.349 4.496 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.582 7.437 4.826 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.579 5.045 3.030 0.50 0.00 C ATOM 0 H ILE A 7 15.208 6.129 4.218 0.50 0.00 H new ATOM 0 HA ILE A 7 13.187 7.546 2.659 0.50 0.00 H new ATOM 0 HB ILE A 7 13.533 7.053 5.664 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.872 4.887 4.757 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.164 4.912 5.149 0.50 0.00 H new ATOM 0 HG21 ILE A 7 11.045 6.947 5.639 0.50 0.00 H new ATOM 0 HG22 ILE A 7 11.633 8.509 5.019 0.50 0.00 H new ATOM 0 HG23 ILE A 7 11.057 7.262 3.887 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.530 3.966 2.884 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.615 5.489 2.781 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.350 5.464 2.383 0.50 0.00 H new ATOM 128 N HIS A 8 14.687 9.737 3.052 0.50 0.00 N ATOM 129 CA HIS A 8 14.998 11.170 3.321 0.50 0.00 C ATOM 130 C HIS A 8 14.482 12.052 2.176 0.50 0.00 C ATOM 131 O HIS A 8 14.228 11.582 1.085 0.50 0.00 O ATOM 132 CB HIS A 8 16.529 11.216 3.405 0.50 0.00 C ATOM 133 CG HIS A 8 17.007 12.642 3.430 0.50 0.00 C ATOM 134 ND1 HIS A 8 17.069 13.602 2.453 0.50 0.00 N flip ATOM 135 CD2 HIS A 8 17.516 13.234 4.576 0.50 0.00 C flip ATOM 136 CE1 HIS A 8 17.609 14.772 2.978 0.50 0.00 C flip ATOM 137 NE2 HIS A 8 17.860 14.496 4.261 0.50 0.00 N flip ATOM 0 H HIS A 8 15.023 9.384 2.156 0.50 0.00 H new ATOM 0 HA HIS A 8 14.525 11.542 4.230 0.50 0.00 H new ATOM 0 HB2 HIS A 8 16.867 10.696 4.302 0.50 0.00 H new ATOM 0 HB3 HIS A 8 16.963 10.695 2.552 0.50 0.00 H new ATOM 0 HD2 HIS A 8 17.618 12.767 5.545 0.50 0.00 H new ATOM 0 HE1 HIS A 8 17.787 15.703 2.460 0.50 0.00 H new ATOM 0 HE2 HIS A 8 18.263 15.161 4.921 0.50 0.00 H new ATOM 232 N ILE A 15 9.088 10.214 6.051 0.50 0.00 N ATOM 233 CA ILE A 15 8.047 9.905 5.026 0.50 0.00 C ATOM 234 C ILE A 15 6.738 9.487 5.714 0.50 0.00 C ATOM 235 O ILE A 15 6.677 8.447 6.338 0.50 0.00 O ATOM 236 CB ILE A 15 8.638 8.743 4.213 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.590 9.303 3.153 0.50 0.00 C ATOM 238 CG2 ILE A 15 7.517 7.958 3.521 0.50 0.00 C ATOM 239 CD1 ILE A 15 10.191 8.156 2.330 0.50 0.00 C ATOM 0 HA ILE A 15 7.807 10.761 4.395 0.50 0.00 H new ATOM 0 HB ILE A 15 9.178 8.076 4.885 0.50 0.00 H new ATOM 0 HG12 ILE A 15 9.055 9.990 2.498 0.50 0.00 H new ATOM 0 HG13 ILE A 15 10.386 9.874 3.632 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.948 7.137 2.948 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.836 7.558 4.272 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.969 8.620 2.851 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.867 8.563 1.578 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.743 7.485 2.989 0.50 0.00 H new ATOM 0 HD13 ILE A 15 9.391 7.604 1.837 0.50 0.00 H new ATOM 251 N PRO A 16 5.728 10.311 5.574 0.50 0.00 N ATOM 252 CA PRO A 16 4.419 10.005 6.190 0.50 0.00 C ATOM 253 C PRO A 16 3.650 9.010 5.318 0.50 0.00 C ATOM 254 O PRO A 16 2.587 9.310 4.814 0.50 0.00 O ATOM 255 CB PRO A 16 3.711 11.356 6.217 0.50 0.00 C ATOM 256 CG PRO A 16 4.334 12.156 5.114 0.50 0.00 C ATOM 257 CD PRO A 16 5.705 11.586 4.844 0.50 0.00 C ATOM 0 HA PRO A 16 4.502 9.554 7.179 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.639 11.240 6.060 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.841 11.848 7.181 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.718 12.111 4.216 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.407 13.206 5.398 0.50 0.00 H new ATOM 0 HD2 PRO A 16 5.868 11.435 3.777 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.489 12.257 5.194 0.50 0.00 H new ATOM 265 N ASP A 17 4.186 7.831 5.127 0.50 0.00 N ATOM 266 CA ASP A 17 3.492 6.816 4.280 0.50 0.00 C ATOM 267 C ASP A 17 2.104 6.495 4.851 0.50 0.00 C ATOM 268 O ASP A 17 1.908 5.496 5.510 0.50 0.00 O ATOM 269 CB ASP A 17 4.397 5.579 4.330 0.50 0.00 C ATOM 270 CG ASP A 17 5.539 5.739 3.325 0.50 0.00 C ATOM 271 OD1 ASP A 17 5.332 6.398 2.320 0.50 0.00 O ATOM 272 OD2 ASP A 17 6.604 5.202 3.580 0.50 0.00 O ATOM 0 H ASP A 17 5.076 7.528 5.522 0.50 0.00 H new ATOM 0 HA ASP A 17 3.334 7.168 3.261 0.50 0.00 H new ATOM 0 HB2 ASP A 17 4.799 5.450 5.335 0.50 0.00 H new ATOM 0 HB3 ASP A 17 3.819 4.684 4.100 0.50 0.00 H new ATOM 277 N THR A 18 1.140 7.337 4.595 0.50 0.00 N ATOM 278 CA THR A 18 -0.240 7.086 5.108 0.50 0.00 C ATOM 279 C THR A 18 -1.260 7.488 4.043 0.50 0.00 C ATOM 280 O THR A 18 -1.136 8.525 3.421 0.50 0.00 O ATOM 281 CB THR A 18 -0.381 7.967 6.352 0.50 0.00 C ATOM 282 OG1 THR A 18 0.888 8.116 6.977 0.50 0.00 O ATOM 283 CG2 THR A 18 -1.358 7.313 7.329 0.50 0.00 C ATOM 0 H THR A 18 1.248 8.192 4.050 0.50 0.00 H new ATOM 0 HA THR A 18 -0.412 6.036 5.345 0.50 0.00 H new ATOM 0 HB THR A 18 -0.758 8.948 6.062 0.50 0.00 H new ATOM 0 HG1 THR A 18 0.797 8.681 7.772 0.50 0.00 H new ATOM 0 HG21 THR A 18 -1.460 7.939 8.216 0.50 0.00 H new ATOM 0 HG22 THR A 18 -2.331 7.201 6.850 0.50 0.00 H new ATOM 0 HG23 THR A 18 -0.981 6.332 7.619 0.50 0.00 H new ATOM 291 N ILE A 19 -2.262 6.681 3.815 0.50 0.00 N ATOM 292 CA ILE A 19 -3.268 7.035 2.777 0.50 0.00 C ATOM 293 C ILE A 19 -4.680 6.613 3.201 0.50 0.00 C ATOM 294 O ILE A 19 -4.867 5.627 3.885 0.50 0.00 O ATOM 295 CB ILE A 19 -2.816 6.275 1.527 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.548 6.836 0.311 0.50 0.00 C ATOM 297 CG2 ILE A 19 -3.128 4.783 1.672 0.50 0.00 C ATOM 298 CD1 ILE A 19 -3.181 8.311 0.138 0.50 0.00 C ATOM 0 H ILE A 19 -2.425 5.799 4.300 0.50 0.00 H new ATOM 0 HA ILE A 19 -3.322 8.111 2.609 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.740 6.396 1.401 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -3.276 6.274 -0.583 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.625 6.730 0.439 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -2.802 4.254 0.776 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -2.603 4.384 2.540 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -4.202 4.647 1.803 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.702 8.716 -0.730 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.475 8.866 1.029 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -2.105 8.403 -0.009 0.50 0.00 H new ATOM 310 N VAL A 20 -5.674 7.356 2.790 0.50 0.00 N ATOM 311 CA VAL A 20 -7.077 7.011 3.153 0.50 0.00 C ATOM 312 C VAL A 20 -7.972 7.097 1.910 0.50 0.00 C ATOM 313 O VAL A 20 -7.680 7.815 0.974 0.50 0.00 O ATOM 314 CB VAL A 20 -7.481 8.062 4.188 0.50 0.00 C ATOM 315 CG1 VAL A 20 -8.951 7.875 4.562 0.50 0.00 C ATOM 316 CG2 VAL A 20 -6.614 7.905 5.439 0.50 0.00 C ATOM 0 H VAL A 20 -5.572 8.192 2.215 0.50 0.00 H new ATOM 0 HA VAL A 20 -7.175 5.999 3.545 0.50 0.00 H new ATOM 0 HB VAL A 20 -7.338 9.057 3.767 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -9.237 8.625 5.300 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -9.570 7.987 3.672 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -9.096 6.880 4.982 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -6.901 8.654 6.177 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -6.757 6.909 5.858 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -5.565 8.040 5.174 0.50 0.00 H new ATOM 326 N VAL A 21 -9.058 6.371 1.897 0.50 0.00 N ATOM 327 CA VAL A 21 -9.973 6.408 0.718 0.50 0.00 C ATOM 328 C VAL A 21 -11.409 6.115 1.163 0.50 0.00 C ATOM 329 O VAL A 21 -11.636 5.554 2.214 0.50 0.00 O ATOM 330 CB VAL A 21 -9.457 5.312 -0.217 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.418 3.977 0.530 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.385 5.194 -1.431 0.50 0.00 C ATOM 0 H VAL A 21 -9.352 5.753 2.653 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.986 7.382 0.228 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.452 5.567 -0.553 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.050 3.197 -0.137 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.754 4.061 1.391 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.422 3.721 0.869 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.016 4.413 -2.096 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.391 4.941 -1.097 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.408 6.144 -1.965 0.50 0.00 H new ATOM 342 N VAL A 22 -12.379 6.499 0.375 0.50 0.00 N ATOM 343 CA VAL A 22 -13.800 6.248 0.764 0.50 0.00 C ATOM 344 C VAL A 22 -14.304 4.934 0.156 0.50 0.00 C ATOM 345 O VAL A 22 -15.258 4.914 -0.596 0.50 0.00 O ATOM 346 CB VAL A 22 -14.583 7.437 0.203 0.50 0.00 C ATOM 347 CG1 VAL A 22 -16.064 7.291 0.561 0.50 0.00 C ATOM 348 CG2 VAL A 22 -14.040 8.735 0.806 0.50 0.00 C ATOM 0 H VAL A 22 -12.250 6.974 -0.518 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.916 6.155 1.844 0.50 0.00 H new ATOM 0 HB VAL A 22 -14.473 7.464 -0.881 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -16.620 8.139 0.161 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -16.453 6.367 0.133 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -16.175 7.263 1.645 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -14.597 9.583 0.407 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -14.150 8.706 1.890 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -12.986 8.841 0.551 0.50 0.00 H new ATOM 358 N ALA A 23 -13.676 3.837 0.497 0.50 0.00 N ATOM 359 CA ALA A 23 -14.104 2.500 -0.029 0.50 0.00 C ATOM 360 C ALA A 23 -14.491 2.560 -1.514 0.50 0.00 C ATOM 361 O ALA A 23 -15.615 2.868 -1.861 0.50 0.00 O ATOM 362 CB ALA A 23 -15.312 2.116 0.823 0.50 0.00 C ATOM 0 H ALA A 23 -12.874 3.809 1.126 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.294 1.773 0.033 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.689 1.145 0.502 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -15.016 2.062 1.871 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -16.094 2.866 0.705 0.50 0.00 H new ATOM 368 N GLY A 24 -13.572 2.247 -2.389 0.50 0.00 N ATOM 369 CA GLY A 24 -13.888 2.266 -3.848 0.50 0.00 C ATOM 370 C GLY A 24 -13.871 3.702 -4.373 0.50 0.00 C ATOM 371 O GLY A 24 -14.829 4.168 -4.959 0.50 0.00 O ATOM 0 H GLY A 24 -12.616 1.979 -2.156 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.161 1.663 -4.393 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -14.867 1.819 -4.021 0.50 0.00 H new ATOM 375 N ASN A 25 -12.789 4.407 -4.177 0.50 0.00 N ATOM 376 CA ASN A 25 -12.711 5.810 -4.674 0.50 0.00 C ATOM 377 C ASN A 25 -11.327 6.086 -5.263 0.50 0.00 C ATOM 378 O ASN A 25 -10.372 5.389 -4.980 0.50 0.00 O ATOM 379 CB ASN A 25 -12.952 6.687 -3.445 0.50 0.00 C ATOM 380 CG ASN A 25 -14.428 7.087 -3.382 0.50 0.00 C ATOM 381 OD1 ASN A 25 -15.320 6.196 -3.047 0.50 0.00 O flip ATOM 382 ND2 ASN A 25 -14.771 8.223 -3.641 0.50 0.00 N flip ATOM 0 H ASN A 25 -11.956 4.071 -3.694 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.439 6.006 -5.461 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -12.672 6.148 -2.540 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.325 7.577 -3.492 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -14.073 8.919 -3.903 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -15.757 8.481 -3.597 0.50 0.00 H new ATOM 389 N LYS A 26 -11.210 7.102 -6.074 0.50 0.00 N ATOM 390 CA LYS A 26 -9.884 7.429 -6.675 0.50 0.00 C ATOM 391 C LYS A 26 -8.938 7.935 -5.587 0.50 0.00 C ATOM 392 O LYS A 26 -9.076 9.041 -5.101 0.50 0.00 O ATOM 393 CB LYS A 26 -10.166 8.533 -7.695 0.50 0.00 C ATOM 394 CG LYS A 26 -11.135 8.015 -8.763 0.50 0.00 C ATOM 395 CD LYS A 26 -12.402 8.876 -8.768 0.50 0.00 C ATOM 396 CE LYS A 26 -12.074 10.265 -9.318 0.50 0.00 C ATOM 397 NZ LYS A 26 -12.516 10.229 -10.739 0.50 0.00 N ATOM 0 H LYS A 26 -11.974 7.720 -6.347 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.413 6.563 -7.140 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -10.592 9.403 -7.195 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.235 8.857 -8.161 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.660 8.043 -9.744 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.391 6.975 -8.562 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -13.172 8.404 -9.378 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -12.802 8.959 -7.757 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -12.596 11.044 -8.762 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -11.008 10.479 -9.241 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -12.324 11.148 -11.186 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -11.997 9.483 -11.245 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -13.536 10.030 -10.780 0.50 0.00 H new ATOM 411 N LEU A 27 -7.987 7.134 -5.189 0.50 0.00 N ATOM 412 CA LEU A 27 -7.049 7.575 -4.119 0.50 0.00 C ATOM 413 C LEU A 27 -5.633 7.757 -4.681 0.50 0.00 C ATOM 414 O LEU A 27 -5.184 7.005 -5.523 0.50 0.00 O ATOM 415 CB LEU A 27 -7.095 6.446 -3.080 0.50 0.00 C ATOM 416 CG LEU A 27 -5.862 6.498 -2.170 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.731 7.890 -1.543 0.50 0.00 C ATOM 418 CD2 LEU A 27 -6.008 5.449 -1.064 0.50 0.00 C ATOM 0 H LEU A 27 -7.820 6.197 -5.557 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.327 8.537 -3.689 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -8.000 6.534 -2.480 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.140 5.481 -3.585 0.50 0.00 H new ATOM 0 HG LEU A 27 -4.969 6.290 -2.760 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.853 7.917 -0.898 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.626 8.636 -2.331 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -6.621 8.108 -0.953 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -5.134 5.482 -0.414 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.903 5.659 -0.479 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.091 4.458 -1.511 0.50 0.00 H new ATOM 430 N ARG A 28 -4.930 8.751 -4.206 0.50 0.00 N ATOM 431 CA ARG A 28 -3.540 8.992 -4.689 0.50 0.00 C ATOM 432 C ARG A 28 -2.618 9.278 -3.500 0.50 0.00 C ATOM 433 O ARG A 28 -3.004 9.934 -2.553 0.50 0.00 O ATOM 434 CB ARG A 28 -3.642 10.218 -5.600 0.50 0.00 C ATOM 435 CG ARG A 28 -4.227 9.806 -6.956 0.50 0.00 C ATOM 436 CD ARG A 28 -3.283 10.243 -8.078 0.50 0.00 C ATOM 437 NE ARG A 28 -3.749 11.604 -8.465 0.50 0.00 N ATOM 438 CZ ARG A 28 -2.926 12.614 -8.417 0.50 0.00 C ATOM 439 NH1 ARG A 28 -2.539 13.194 -9.520 0.50 0.00 N ATOM 440 NH2 ARG A 28 -2.488 13.045 -7.265 0.50 0.00 N ATOM 0 H ARG A 28 -5.261 9.409 -3.501 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.127 8.132 -5.215 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.273 10.976 -5.136 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -2.657 10.664 -5.738 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -4.371 8.726 -6.988 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -5.207 10.262 -7.094 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -2.248 10.262 -7.738 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -3.328 9.555 -8.922 0.50 0.00 H new ATOM 0 HE ARG A 28 -4.713 11.746 -8.768 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -2.880 12.857 -10.420 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -1.895 13.984 -9.482 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -2.790 12.591 -6.403 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -1.844 13.835 -7.227 0.50 0.00 H new ATOM 454 N LEU A 29 -1.406 8.786 -3.535 0.50 0.00 N ATOM 455 CA LEU A 29 -0.472 9.027 -2.394 0.50 0.00 C ATOM 456 C LEU A 29 0.916 9.415 -2.911 0.50 0.00 C ATOM 457 O LEU A 29 1.400 8.865 -3.878 0.50 0.00 O ATOM 458 CB LEU A 29 -0.414 7.689 -1.654 0.50 0.00 C ATOM 459 CG LEU A 29 0.573 7.770 -0.484 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.145 8.873 0.491 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.601 6.425 0.248 0.50 0.00 C ATOM 0 H LEU A 29 -1.024 8.230 -4.300 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.805 9.842 -1.751 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.405 7.427 -1.285 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.110 6.899 -2.341 0.50 0.00 H new ATOM 0 HG LEU A 29 1.566 8.002 -0.869 0.50 0.00 H new ATOM 0 HD11 LEU A 29 0.853 8.922 1.318 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.127 9.831 -0.029 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.850 8.651 0.877 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.302 6.479 1.081 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.395 6.196 0.626 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.916 5.642 -0.442 0.50 0.00 H new ATOM 473 N ASP A 30 1.559 10.357 -2.270 0.50 0.00 N ATOM 474 CA ASP A 30 2.919 10.778 -2.724 0.50 0.00 C ATOM 475 C ASP A 30 3.883 10.857 -1.532 0.50 0.00 C ATOM 476 O ASP A 30 3.669 11.606 -0.599 0.50 0.00 O ATOM 477 CB ASP A 30 2.717 12.163 -3.344 0.50 0.00 C ATOM 478 CG ASP A 30 2.922 12.082 -4.858 0.50 0.00 C ATOM 479 OD1 ASP A 30 3.977 11.631 -5.270 0.50 0.00 O ATOM 480 OD2 ASP A 30 2.019 12.474 -5.579 0.50 0.00 O ATOM 0 H ASP A 30 1.202 10.852 -1.453 0.50 0.00 H new ATOM 0 HA ASP A 30 3.353 10.071 -3.432 0.50 0.00 H new ATOM 0 HB2 ASP A 30 1.715 12.530 -3.122 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.420 12.873 -2.909 0.50 0.00 H new ATOM 485 N VAL A 31 4.946 10.096 -1.564 0.50 0.00 N ATOM 486 CA VAL A 31 5.932 10.131 -0.441 0.50 0.00 C ATOM 487 C VAL A 31 7.343 10.402 -0.996 0.50 0.00 C ATOM 488 O VAL A 31 7.781 9.735 -1.911 0.50 0.00 O ATOM 489 CB VAL A 31 5.853 8.745 0.210 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.450 8.529 0.783 0.50 0.00 C ATOM 491 CG2 VAL A 31 6.149 7.660 -0.832 0.50 0.00 C ATOM 0 H VAL A 31 5.175 9.451 -2.320 0.50 0.00 H new ATOM 0 HA VAL A 31 5.717 10.920 0.280 0.50 0.00 H new ATOM 0 HB VAL A 31 6.590 8.685 1.011 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.394 7.544 1.246 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.241 9.294 1.531 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.715 8.596 -0.019 0.50 0.00 H new ATOM 0 HG21 VAL A 31 6.091 6.678 -0.362 0.50 0.00 H new ATOM 0 HG22 VAL A 31 5.417 7.720 -1.638 0.50 0.00 H new ATOM 0 HG23 VAL A 31 7.149 7.809 -1.238 0.50 0.00 H new ATOM 501 N PRO A 32 8.006 11.387 -0.437 0.50 0.00 N ATOM 502 CA PRO A 32 9.366 11.749 -0.910 0.50 0.00 C ATOM 503 C PRO A 32 10.423 10.797 -0.340 0.50 0.00 C ATOM 504 O PRO A 32 10.377 10.422 0.814 0.50 0.00 O ATOM 505 CB PRO A 32 9.568 13.158 -0.366 0.50 0.00 C ATOM 506 CG PRO A 32 8.671 13.260 0.830 0.50 0.00 C ATOM 507 CD PRO A 32 7.564 12.247 0.670 0.50 0.00 C ATOM 0 HA PRO A 32 9.463 11.687 -1.994 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.609 13.326 -0.091 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.311 13.908 -1.114 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.232 13.070 1.745 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.258 14.266 0.912 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.417 11.672 1.584 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.614 12.730 0.442 0.50 0.00 H new ATOM 515 N ILE A 33 11.382 10.412 -1.143 0.50 0.00 N ATOM 516 CA ILE A 33 12.454 9.491 -0.650 0.50 0.00 C ATOM 517 C ILE A 33 13.776 9.816 -1.354 0.50 0.00 C ATOM 518 O ILE A 33 13.796 10.460 -2.385 0.50 0.00 O ATOM 519 CB ILE A 33 12.002 8.059 -1.006 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.530 8.048 -1.454 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.168 7.154 0.221 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.127 6.631 -1.873 0.50 0.00 C ATOM 0 H ILE A 33 11.470 10.695 -2.119 0.50 0.00 H new ATOM 0 HA ILE A 33 12.608 9.597 0.424 0.50 0.00 H new ATOM 0 HB ILE A 33 12.618 7.692 -1.827 0.50 0.00 H new ATOM 0 HG12 ILE A 33 9.890 8.393 -0.642 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.388 8.738 -2.286 0.50 0.00 H new ATOM 0 HG21 ILE A 33 11.849 6.142 -0.028 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.215 7.141 0.524 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.558 7.536 1.040 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.084 6.628 -2.189 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.758 6.303 -2.699 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.252 5.953 -1.029 0.50 0.00 H new ATOM 534 N SER A 34 14.878 9.373 -0.809 0.50 0.00 N ATOM 535 CA SER A 34 16.194 9.657 -1.455 0.50 0.00 C ATOM 536 C SER A 34 16.344 8.805 -2.720 0.50 0.00 C ATOM 537 O SER A 34 15.381 8.540 -3.413 0.50 0.00 O ATOM 538 CB SER A 34 17.242 9.274 -0.409 0.50 0.00 C ATOM 539 OG SER A 34 18.386 10.102 -0.566 0.50 0.00 O ATOM 0 H SER A 34 14.925 8.829 0.052 0.50 0.00 H new ATOM 0 HA SER A 34 16.297 10.699 -1.759 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.831 9.389 0.594 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.519 8.226 -0.522 0.50 0.00 H new ATOM 0 HG SER A 34 19.159 9.677 -0.139 0.50 0.00 H new ATOM 545 N GLY A 35 17.538 8.369 -3.028 0.50 0.00 N ATOM 546 CA GLY A 35 17.735 7.532 -4.247 0.50 0.00 C ATOM 547 C GLY A 35 18.336 8.379 -5.367 0.50 0.00 C ATOM 548 O GLY A 35 18.019 9.543 -5.522 0.50 0.00 O ATOM 0 H GLY A 35 18.383 8.556 -2.489 0.50 0.00 H new ATOM 0 HA2 GLY A 35 18.393 6.693 -4.020 0.50 0.00 H new ATOM 0 HA3 GLY A 35 16.782 7.112 -4.568 0.50 0.00 H new ATOM 552 N ASP A 36 19.205 7.800 -6.152 0.50 0.00 N ATOM 553 CA ASP A 36 19.835 8.560 -7.270 0.50 0.00 C ATOM 554 C ASP A 36 20.231 7.598 -8.402 0.50 0.00 C ATOM 555 O ASP A 36 21.151 6.820 -8.243 0.50 0.00 O ATOM 556 CB ASP A 36 21.081 9.201 -6.655 0.50 0.00 C ATOM 557 CG ASP A 36 21.393 10.510 -7.382 0.50 0.00 C ATOM 558 OD1 ASP A 36 21.936 10.445 -8.472 0.50 0.00 O ATOM 559 OD2 ASP A 36 21.083 11.556 -6.835 0.50 0.00 O ATOM 0 H ASP A 36 19.507 6.829 -6.066 0.50 0.00 H new ATOM 0 HA ASP A 36 19.162 9.302 -7.700 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.919 9.392 -5.594 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.928 8.520 -6.731 0.50 0.00 H new ATOM 564 N PRO A 37 19.532 7.667 -9.517 0.50 0.00 N ATOM 565 CA PRO A 37 18.410 8.628 -9.692 0.50 0.00 C ATOM 566 C PRO A 37 17.182 8.185 -8.888 0.50 0.00 C ATOM 567 O PRO A 37 16.705 8.896 -8.026 0.50 0.00 O ATOM 568 CB PRO A 37 18.126 8.581 -11.191 0.50 0.00 C ATOM 569 CG PRO A 37 18.622 7.246 -11.644 0.50 0.00 C ATOM 570 CD PRO A 37 19.739 6.844 -10.715 0.50 0.00 C ATOM 0 HA PRO A 37 18.652 9.631 -9.339 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.061 8.694 -11.393 0.50 0.00 H new ATOM 0 HB3 PRO A 37 18.638 9.389 -11.714 0.50 0.00 H new ATOM 0 HG2 PRO A 37 17.819 6.509 -11.621 0.50 0.00 H new ATOM 0 HG3 PRO A 37 18.978 7.297 -12.673 0.50 0.00 H new ATOM 0 HD2 PRO A 37 19.696 5.781 -10.479 0.50 0.00 H new ATOM 0 HD3 PRO A 37 20.715 7.032 -11.162 0.50 0.00 H new ATOM 578 N ALA A 38 16.664 7.018 -9.169 0.50 0.00 N ATOM 579 CA ALA A 38 15.464 6.534 -8.424 0.50 0.00 C ATOM 580 C ALA A 38 15.779 5.226 -7.686 0.50 0.00 C ATOM 581 O ALA A 38 16.373 4.328 -8.249 0.50 0.00 O ATOM 582 CB ALA A 38 14.401 6.301 -9.499 0.50 0.00 C ATOM 0 H ALA A 38 17.019 6.380 -9.881 0.50 0.00 H new ATOM 0 HA ALA A 38 15.135 7.247 -7.668 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.484 5.943 -9.032 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.201 7.236 -10.021 0.50 0.00 H new ATOM 0 HB3 ALA A 38 14.760 5.558 -10.211 0.50 0.00 H new ATOM 588 N PRO A 39 15.365 5.157 -6.444 0.50 0.00 N ATOM 589 CA PRO A 39 15.608 3.945 -5.629 0.50 0.00 C ATOM 590 C PRO A 39 14.549 2.881 -5.923 0.50 0.00 C ATOM 591 O PRO A 39 13.763 3.010 -6.840 0.50 0.00 O ATOM 592 CB PRO A 39 15.471 4.445 -4.196 0.50 0.00 C ATOM 593 CG PRO A 39 14.587 5.653 -4.274 0.50 0.00 C ATOM 594 CD PRO A 39 14.647 6.189 -5.686 0.50 0.00 C ATOM 0 HA PRO A 39 16.575 3.484 -5.831 0.50 0.00 H new ATOM 0 HB2 PRO A 39 15.034 3.680 -3.554 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.444 4.698 -3.774 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.562 5.392 -4.009 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.916 6.412 -3.564 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.648 6.355 -6.090 0.50 0.00 H new ATOM 0 HD3 PRO A 39 15.169 7.145 -5.725 0.50 0.00 H new ATOM 602 N THR A 40 14.517 1.840 -5.137 0.50 0.00 N ATOM 603 CA THR A 40 13.500 0.774 -5.352 0.50 0.00 C ATOM 604 C THR A 40 12.569 0.713 -4.142 0.50 0.00 C ATOM 605 O THR A 40 12.773 -0.056 -3.224 0.50 0.00 O ATOM 606 CB THR A 40 14.299 -0.525 -5.483 0.50 0.00 C ATOM 607 OG1 THR A 40 15.503 -0.271 -6.193 0.50 0.00 O ATOM 608 CG2 THR A 40 13.468 -1.562 -6.237 0.50 0.00 C ATOM 0 H THR A 40 15.152 1.682 -4.355 0.50 0.00 H new ATOM 0 HA THR A 40 12.883 0.953 -6.233 0.50 0.00 H new ATOM 0 HB THR A 40 14.538 -0.906 -4.490 0.50 0.00 H new ATOM 0 HG1 THR A 40 16.177 0.084 -5.577 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.037 -2.487 -6.330 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.546 -1.757 -5.690 0.50 0.00 H new ATOM 0 HG23 THR A 40 13.227 -1.183 -7.230 0.50 0.00 H new ATOM 616 N VAL A 41 11.550 1.524 -4.140 0.50 0.00 N ATOM 617 CA VAL A 41 10.594 1.530 -2.993 0.50 0.00 C ATOM 618 C VAL A 41 9.517 0.459 -3.201 0.50 0.00 C ATOM 619 O VAL A 41 8.559 0.650 -3.924 0.50 0.00 O ATOM 620 CB VAL A 41 9.995 2.940 -2.984 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.291 3.219 -4.316 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.982 3.056 -1.845 0.50 0.00 C ATOM 0 H VAL A 41 11.335 2.187 -4.885 0.50 0.00 H new ATOM 0 HA VAL A 41 11.074 1.299 -2.042 0.50 0.00 H new ATOM 0 HB VAL A 41 10.796 3.666 -2.841 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.868 4.224 -4.301 0.50 0.00 H new ATOM 0 HG12 VAL A 41 10.010 3.141 -5.131 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.493 2.492 -4.465 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.556 4.059 -1.838 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.187 2.325 -1.989 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.480 2.867 -0.894 0.50 0.00 H new ATOM 632 N ILE A 42 9.687 -0.673 -2.576 0.50 0.00 N ATOM 633 CA ILE A 42 8.704 -1.784 -2.724 0.50 0.00 C ATOM 634 C ILE A 42 7.563 -1.645 -1.708 0.50 0.00 C ATOM 635 O ILE A 42 7.768 -1.756 -0.516 0.50 0.00 O ATOM 636 CB ILE A 42 9.528 -3.044 -2.439 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.499 -3.300 -3.598 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.604 -4.251 -2.267 0.50 0.00 C ATOM 639 CD1 ILE A 42 9.721 -3.450 -4.908 0.50 0.00 C ATOM 0 H ILE A 42 10.475 -0.878 -1.961 0.50 0.00 H new ATOM 0 HA ILE A 42 8.234 -1.798 -3.707 0.50 0.00 H new ATOM 0 HB ILE A 42 10.093 -2.896 -1.518 0.50 0.00 H new ATOM 0 HG12 ILE A 42 11.208 -2.476 -3.678 0.50 0.00 H new ATOM 0 HG13 ILE A 42 11.080 -4.202 -3.405 0.50 0.00 H new ATOM 0 HG21 ILE A 42 9.201 -5.140 -2.065 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.924 -4.073 -1.434 0.50 0.00 H new ATOM 0 HG23 ILE A 42 8.027 -4.401 -3.180 0.50 0.00 H new ATOM 0 HD11 ILE A 42 10.418 -3.632 -5.726 0.50 0.00 H new ATOM 0 HD12 ILE A 42 9.030 -4.289 -4.827 0.50 0.00 H new ATOM 0 HD13 ILE A 42 9.160 -2.536 -5.105 0.50 0.00 H new ATOM 651 N TRP A 43 6.359 -1.427 -2.174 0.50 0.00 N ATOM 652 CA TRP A 43 5.201 -1.305 -1.235 0.50 0.00 C ATOM 653 C TRP A 43 4.784 -2.702 -0.759 0.50 0.00 C ATOM 654 O TRP A 43 4.146 -3.443 -1.481 0.50 0.00 O ATOM 655 CB TRP A 43 4.074 -0.677 -2.060 0.50 0.00 C ATOM 656 CG TRP A 43 4.342 0.779 -2.273 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.649 1.344 -3.462 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.328 1.862 -1.298 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.822 2.703 -3.280 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.638 3.071 -1.964 0.50 0.00 C ATOM 661 CE3 TRP A 43 4.080 1.912 0.085 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.700 4.287 -1.281 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.145 3.131 0.776 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.455 4.316 0.095 0.50 0.00 C ATOM 0 H TRP A 43 6.127 -1.328 -3.162 0.50 0.00 H new ATOM 0 HA TRP A 43 5.441 -0.707 -0.356 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.991 -1.184 -3.021 0.50 0.00 H new ATOM 0 HB3 TRP A 43 3.121 -0.808 -1.547 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.744 0.819 -4.401 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.057 3.355 -4.028 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.838 1.005 0.619 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 4.935 5.198 -1.811 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.955 3.156 1.839 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.505 5.251 0.633 0.50 0.00 H new ATOM 675 N GLN A 44 5.140 -3.073 0.443 0.50 0.00 N ATOM 676 CA GLN A 44 4.762 -4.429 0.945 0.50 0.00 C ATOM 677 C GLN A 44 3.454 -4.362 1.742 0.50 0.00 C ATOM 678 O GLN A 44 3.104 -3.336 2.294 0.50 0.00 O ATOM 679 CB GLN A 44 5.923 -4.859 1.844 0.50 0.00 C ATOM 680 CG GLN A 44 6.277 -6.321 1.563 0.50 0.00 C ATOM 681 CD GLN A 44 5.190 -7.231 2.138 0.50 0.00 C ATOM 682 OE1 GLN A 44 4.743 -7.036 3.251 0.50 0.00 O ATOM 683 NE2 GLN A 44 4.742 -8.224 1.420 0.50 0.00 N ATOM 0 H GLN A 44 5.673 -2.500 1.097 0.50 0.00 H new ATOM 0 HA GLN A 44 4.595 -5.135 0.132 0.50 0.00 H new ATOM 0 HB2 GLN A 44 6.790 -4.223 1.664 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.650 -4.736 2.892 0.50 0.00 H new ATOM 0 HG2 GLN A 44 6.371 -6.483 0.489 0.50 0.00 H new ATOM 0 HG3 GLN A 44 7.242 -6.564 2.008 0.50 0.00 H new ATOM 0 HE21 GLN A 44 5.117 -8.388 0.486 0.50 0.00 H new ATOM 0 HE22 GLN A 44 4.017 -8.836 1.793 0.50 0.00 H new ATOM 692 N LYS A 45 2.731 -5.449 1.801 0.50 0.00 N ATOM 693 CA LYS A 45 1.442 -5.457 2.556 0.50 0.00 C ATOM 694 C LYS A 45 1.482 -6.512 3.667 0.50 0.00 C ATOM 695 O LYS A 45 2.110 -7.544 3.532 0.50 0.00 O ATOM 696 CB LYS A 45 0.380 -5.814 1.513 0.50 0.00 C ATOM 697 CG LYS A 45 -1.003 -5.867 2.172 0.50 0.00 C ATOM 698 CD LYS A 45 -1.713 -7.166 1.779 0.50 0.00 C ATOM 699 CE LYS A 45 -3.198 -6.885 1.536 0.50 0.00 C ATOM 700 NZ LYS A 45 -3.277 -6.437 0.117 0.50 0.00 N ATOM 0 H LYS A 45 2.978 -6.334 1.358 0.50 0.00 H new ATOM 0 HA LYS A 45 1.238 -4.501 3.038 0.50 0.00 H new ATOM 0 HB2 LYS A 45 0.382 -5.075 0.712 0.50 0.00 H new ATOM 0 HB3 LYS A 45 0.613 -6.777 1.059 0.50 0.00 H new ATOM 0 HG2 LYS A 45 -0.902 -5.810 3.256 0.50 0.00 H new ATOM 0 HG3 LYS A 45 -1.598 -5.008 1.861 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -1.259 -7.583 0.880 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -1.597 -7.909 2.568 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -3.801 -7.777 1.703 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -3.571 -6.117 2.214 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -4.266 -6.225 -0.126 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -2.698 -5.582 -0.010 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -2.922 -7.191 -0.505 0.50 0.00 H new ATOM 899 N PRO A 59 7.245 -32.144 6.539 0.50 0.00 N ATOM 900 CA PRO A 59 7.908 -33.455 6.747 0.50 0.00 C ATOM 901 C PRO A 59 8.965 -33.697 5.666 0.50 0.00 C ATOM 902 O PRO A 59 8.657 -33.797 4.495 0.50 0.00 O ATOM 903 CB PRO A 59 6.766 -34.459 6.622 0.50 0.00 C ATOM 904 CG PRO A 59 5.737 -33.775 5.780 0.50 0.00 C ATOM 905 CD PRO A 59 5.877 -32.294 6.021 0.50 0.00 C ATOM 0 HA PRO A 59 8.428 -33.524 7.703 0.50 0.00 H new ATOM 0 HB2 PRO A 59 7.104 -35.385 6.157 0.50 0.00 H new ATOM 0 HB3 PRO A 59 6.364 -34.722 7.600 0.50 0.00 H new ATOM 0 HG2 PRO A 59 5.885 -34.009 4.726 0.50 0.00 H new ATOM 0 HG3 PRO A 59 4.736 -34.115 6.044 0.50 0.00 H new ATOM 0 HD2 PRO A 59 5.734 -31.725 5.102 0.50 0.00 H new ATOM 0 HD3 PRO A 59 5.138 -31.935 6.737 0.50 0.00 H new ATOM 913 N ASP A 60 10.213 -33.790 6.051 0.50 0.00 N ATOM 914 CA ASP A 60 11.299 -34.026 5.051 0.50 0.00 C ATOM 915 C ASP A 60 11.224 -32.992 3.927 0.50 0.00 C ATOM 916 O ASP A 60 10.956 -33.330 2.793 0.50 0.00 O ATOM 917 CB ASP A 60 11.043 -35.428 4.490 0.50 0.00 C ATOM 918 CG ASP A 60 11.090 -36.454 5.624 0.50 0.00 C ATOM 919 OD1 ASP A 60 10.071 -36.644 6.267 0.50 0.00 O ATOM 920 OD2 ASP A 60 12.145 -37.030 5.831 0.50 0.00 O ATOM 0 H ASP A 60 10.528 -33.712 7.018 0.50 0.00 H new ATOM 0 HA ASP A 60 12.287 -33.941 5.504 0.50 0.00 H new ATOM 0 HB2 ASP A 60 10.071 -35.461 3.997 0.50 0.00 H new ATOM 0 HB3 ASP A 60 11.792 -35.671 3.736 0.50 0.00 H new ATOM 925 N ALA A 61 11.462 -31.738 4.234 0.50 0.00 N ATOM 926 CA ALA A 61 11.407 -30.671 3.182 0.50 0.00 C ATOM 927 C ALA A 61 12.096 -31.153 1.897 0.50 0.00 C ATOM 928 O ALA A 61 13.306 -31.115 1.793 0.50 0.00 O ATOM 929 CB ALA A 61 12.165 -29.488 3.783 0.50 0.00 C ATOM 0 H ALA A 61 11.693 -31.406 5.171 0.50 0.00 H new ATOM 0 HA ALA A 61 10.384 -30.409 2.913 0.50 0.00 H new ATOM 0 HB1 ALA A 61 12.171 -28.661 3.073 0.50 0.00 H new ATOM 0 HB2 ALA A 61 11.675 -29.172 4.704 0.50 0.00 H new ATOM 0 HB3 ALA A 61 13.190 -29.786 4.002 0.50 0.00 H new ATOM 935 N PRO A 62 11.299 -31.614 0.964 0.50 0.00 N ATOM 936 CA PRO A 62 11.833 -32.131 -0.307 0.50 0.00 C ATOM 937 C PRO A 62 11.904 -31.015 -1.355 0.50 0.00 C ATOM 938 O PRO A 62 11.203 -30.026 -1.271 0.50 0.00 O ATOM 939 CB PRO A 62 10.801 -33.186 -0.696 0.50 0.00 C ATOM 940 CG PRO A 62 9.517 -32.773 -0.024 0.50 0.00 C ATOM 941 CD PRO A 62 9.839 -31.702 0.995 0.50 0.00 C ATOM 0 HA PRO A 62 12.846 -32.527 -0.230 0.50 0.00 H new ATOM 0 HB2 PRO A 62 10.678 -33.233 -1.778 0.50 0.00 H new ATOM 0 HB3 PRO A 62 11.113 -34.177 -0.368 0.50 0.00 H new ATOM 0 HG2 PRO A 62 8.807 -32.396 -0.760 0.50 0.00 H new ATOM 0 HG3 PRO A 62 9.049 -33.630 0.460 0.50 0.00 H new ATOM 0 HD2 PRO A 62 9.376 -30.750 0.734 0.50 0.00 H new ATOM 0 HD3 PRO A 62 9.476 -31.972 1.987 0.50 0.00 H new ATOM 949 N GLU A 63 12.748 -31.169 -2.341 0.50 0.00 N ATOM 950 CA GLU A 63 12.866 -30.120 -3.397 0.50 0.00 C ATOM 951 C GLU A 63 11.584 -30.061 -4.233 0.50 0.00 C ATOM 952 O GLU A 63 11.523 -30.576 -5.332 0.50 0.00 O ATOM 953 CB GLU A 63 14.057 -30.549 -4.260 0.50 0.00 C ATOM 954 CG GLU A 63 13.813 -31.952 -4.826 0.50 0.00 C ATOM 955 CD GLU A 63 15.072 -32.804 -4.647 0.50 0.00 C ATOM 956 OE1 GLU A 63 15.943 -32.724 -5.497 0.50 0.00 O ATOM 957 OE2 GLU A 63 15.144 -33.520 -3.662 0.50 0.00 O ATOM 0 H GLU A 63 13.361 -31.976 -2.461 0.50 0.00 H new ATOM 0 HA GLU A 63 13.012 -29.126 -2.974 0.50 0.00 H new ATOM 0 HB2 GLU A 63 14.202 -29.839 -5.074 0.50 0.00 H new ATOM 0 HB3 GLU A 63 14.970 -30.541 -3.665 0.50 0.00 H new ATOM 0 HG2 GLU A 63 12.970 -32.419 -4.317 0.50 0.00 H new ATOM 0 HG3 GLU A 63 13.552 -31.889 -5.882 0.50 0.00 H new ATOM 964 N ASP A 64 10.559 -29.434 -3.719 0.50 0.00 N ATOM 965 CA ASP A 64 9.279 -29.340 -4.482 0.50 0.00 C ATOM 966 C ASP A 64 9.488 -28.536 -5.768 0.50 0.00 C ATOM 967 O ASP A 64 9.722 -27.343 -5.734 0.50 0.00 O ATOM 968 CB ASP A 64 8.309 -28.614 -3.547 0.50 0.00 C ATOM 969 CG ASP A 64 6.892 -28.701 -4.114 0.50 0.00 C ATOM 970 OD1 ASP A 64 6.456 -29.803 -4.402 0.50 0.00 O ATOM 971 OD2 ASP A 64 6.265 -27.663 -4.252 0.50 0.00 O ATOM 0 H ASP A 64 10.552 -28.983 -2.804 0.50 0.00 H new ATOM 0 HA ASP A 64 8.903 -30.319 -4.777 0.50 0.00 H new ATOM 0 HB2 ASP A 64 8.342 -29.061 -2.553 0.50 0.00 H new ATOM 0 HB3 ASP A 64 8.605 -27.571 -3.438 0.50 0.00 H new ATOM 976 N THR A 65 9.406 -29.181 -6.901 0.50 0.00 N ATOM 977 CA THR A 65 9.600 -28.454 -8.191 0.50 0.00 C ATOM 978 C THR A 65 8.352 -28.590 -9.067 0.50 0.00 C ATOM 979 O THR A 65 8.435 -28.913 -10.236 0.50 0.00 O ATOM 980 CB THR A 65 10.797 -29.138 -8.853 0.50 0.00 C ATOM 981 OG1 THR A 65 11.868 -29.221 -7.924 0.50 0.00 O ATOM 982 CG2 THR A 65 11.239 -28.327 -10.073 0.50 0.00 C ATOM 0 H THR A 65 9.213 -30.179 -6.990 0.50 0.00 H new ATOM 0 HA THR A 65 9.769 -27.387 -8.044 0.50 0.00 H new ATOM 0 HB THR A 65 10.513 -30.142 -9.169 0.50 0.00 H new ATOM 0 HG1 THR A 65 12.635 -29.661 -8.347 0.50 0.00 H new ATOM 0 HG21 THR A 65 12.092 -28.815 -10.545 0.50 0.00 H new ATOM 0 HG22 THR A 65 10.417 -28.265 -10.786 0.50 0.00 H new ATOM 0 HG23 THR A 65 11.523 -27.323 -9.759 0.50 0.00 H new ATOM 990 N GLY A 66 7.195 -28.347 -8.510 0.50 0.00 N ATOM 991 CA GLY A 66 5.941 -28.461 -9.308 0.50 0.00 C ATOM 992 C GLY A 66 4.737 -28.495 -8.367 0.50 0.00 C ATOM 993 O GLY A 66 4.827 -28.120 -7.214 0.50 0.00 O ATOM 0 H GLY A 66 7.065 -28.074 -7.536 0.50 0.00 H new ATOM 0 HA2 GLY A 66 5.856 -27.618 -9.994 0.50 0.00 H new ATOM 0 HA3 GLY A 66 5.966 -29.365 -9.916 0.50 0.00 H new ATOM 997 N ASP A 67 3.608 -28.943 -8.848 0.50 0.00 N ATOM 998 CA ASP A 67 2.395 -29.001 -7.982 0.50 0.00 C ATOM 999 C ASP A 67 1.462 -30.122 -8.453 0.50 0.00 C ATOM 1000 O ASP A 67 0.438 -29.876 -9.060 0.50 0.00 O ATOM 1001 CB ASP A 67 1.722 -27.638 -8.149 0.50 0.00 C ATOM 1002 CG ASP A 67 2.326 -26.646 -7.153 0.50 0.00 C ATOM 1003 OD1 ASP A 67 2.205 -26.884 -5.962 0.50 0.00 O ATOM 1004 OD2 ASP A 67 2.898 -25.664 -7.597 0.50 0.00 O ATOM 0 H ASP A 67 3.474 -29.272 -9.804 0.50 0.00 H new ATOM 0 HA ASP A 67 2.641 -29.209 -6.941 0.50 0.00 H new ATOM 0 HB2 ASP A 67 1.858 -27.275 -9.168 0.50 0.00 H new ATOM 0 HB3 ASP A 67 0.648 -27.728 -7.984 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.265 0.904 -8.600 0.50 0.00 N ATOM 1304 CA ARG A 86 -2.083 1.346 -9.398 0.50 0.00 C ATOM 1305 C ARG A 86 -0.989 1.887 -8.472 0.50 0.00 C ATOM 1306 O ARG A 86 -1.168 2.884 -7.801 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.612 2.457 -10.310 0.50 0.00 C ATOM 1308 CG ARG A 86 -2.477 2.030 -11.773 0.50 0.00 C ATOM 1309 CD ARG A 86 -3.601 2.662 -12.596 0.50 0.00 C ATOM 1310 NE ARG A 86 -2.962 3.055 -13.882 0.50 0.00 N ATOM 1311 CZ ARG A 86 -3.107 2.305 -14.940 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -4.097 2.522 -15.762 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -2.262 1.338 -15.174 0.50 0.00 N ATOM 0 HA ARG A 86 -1.641 0.528 -9.966 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.656 2.666 -10.077 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -2.056 3.378 -10.137 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -1.508 2.338 -12.165 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -2.521 0.944 -11.851 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -4.415 1.956 -12.759 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -4.026 3.527 -12.086 0.50 0.00 H new ATOM 0 HE ARG A 86 -2.410 3.911 -13.936 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -4.757 3.278 -15.577 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -4.211 1.936 -16.589 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -1.489 1.169 -14.530 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -2.375 0.751 -16.001 0.50 0.00 H new ATOM 1327 N VAL A 87 0.141 1.235 -8.431 0.50 0.00 N ATOM 1328 CA VAL A 87 1.247 1.712 -7.550 0.50 0.00 C ATOM 1329 C VAL A 87 2.535 1.875 -8.363 0.50 0.00 C ATOM 1330 O VAL A 87 3.116 0.911 -8.821 0.50 0.00 O ATOM 1331 CB VAL A 87 1.406 0.618 -6.492 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.535 0.995 -5.531 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.100 0.472 -5.707 0.50 0.00 C ATOM 0 H VAL A 87 0.347 0.393 -8.969 0.50 0.00 H new ATOM 0 HA VAL A 87 1.034 2.682 -7.101 0.50 0.00 H new ATOM 0 HB VAL A 87 1.645 -0.326 -6.982 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.647 0.215 -4.778 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.467 1.099 -6.087 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.297 1.940 -5.042 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.214 -0.307 -4.953 0.50 0.00 H new ATOM 0 HG22 VAL A 87 -0.139 1.417 -5.219 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.706 0.202 -6.389 0.50 0.00 H new ATOM 1343 N GLU A 88 2.981 3.090 -8.549 0.50 0.00 N ATOM 1344 CA GLU A 88 4.228 3.318 -9.335 0.50 0.00 C ATOM 1345 C GLU A 88 5.124 4.342 -8.630 0.50 0.00 C ATOM 1346 O GLU A 88 4.657 5.178 -7.882 0.50 0.00 O ATOM 1347 CB GLU A 88 3.751 3.863 -10.683 0.50 0.00 C ATOM 1348 CG GLU A 88 3.150 2.725 -11.510 0.50 0.00 C ATOM 1349 CD GLU A 88 3.174 3.104 -12.992 0.50 0.00 C ATOM 1350 OE1 GLU A 88 4.254 3.356 -13.502 0.50 0.00 O ATOM 1351 OE2 GLU A 88 2.113 3.135 -13.593 0.50 0.00 O ATOM 0 H GLU A 88 2.535 3.934 -8.190 0.50 0.00 H new ATOM 0 HA GLU A 88 4.816 2.407 -9.446 0.50 0.00 H new ATOM 0 HB2 GLU A 88 3.008 4.646 -10.529 0.50 0.00 H new ATOM 0 HB3 GLU A 88 4.585 4.316 -11.220 0.50 0.00 H new ATOM 0 HG2 GLU A 88 3.715 1.807 -11.349 0.50 0.00 H new ATOM 0 HG3 GLU A 88 2.126 2.530 -11.190 0.50 0.00 H new ATOM 1358 N THR A 89 6.408 4.280 -8.867 0.50 0.00 N ATOM 1359 CA THR A 89 7.341 5.247 -8.216 0.50 0.00 C ATOM 1360 C THR A 89 7.951 6.178 -9.269 0.50 0.00 C ATOM 1361 O THR A 89 8.124 5.806 -10.413 0.50 0.00 O ATOM 1362 CB THR A 89 8.424 4.374 -7.575 0.50 0.00 C ATOM 1363 OG1 THR A 89 7.828 3.523 -6.606 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.476 5.259 -6.901 0.50 0.00 C ATOM 0 H THR A 89 6.852 3.600 -9.484 0.50 0.00 H new ATOM 0 HA THR A 89 6.842 5.881 -7.483 0.50 0.00 H new ATOM 0 HB THR A 89 8.906 3.773 -8.346 0.50 0.00 H new ATOM 0 HG1 THR A 89 8.226 2.629 -6.667 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.243 4.631 -6.447 0.50 0.00 H new ATOM 0 HG22 THR A 89 9.934 5.911 -7.645 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.001 5.866 -6.130 0.50 0.00 H new ATOM 1372 N THR A 90 8.280 7.385 -8.889 0.50 0.00 N ATOM 1373 CA THR A 90 8.881 8.338 -9.870 0.50 0.00 C ATOM 1374 C THR A 90 10.404 8.360 -9.720 0.50 0.00 C ATOM 1375 O THR A 90 10.979 7.572 -8.997 0.50 0.00 O ATOM 1376 CB THR A 90 8.289 9.706 -9.526 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.511 9.989 -8.150 0.50 0.00 O ATOM 1378 CG2 THR A 90 6.789 9.702 -9.821 0.50 0.00 C ATOM 0 H THR A 90 8.159 7.752 -7.945 0.50 0.00 H new ATOM 0 HA THR A 90 8.665 8.053 -10.900 0.50 0.00 H new ATOM 0 HB THR A 90 8.771 10.474 -10.131 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.794 9.590 -7.614 0.50 0.00 H new ATOM 0 HG21 THR A 90 6.367 10.677 -9.576 0.50 0.00 H new ATOM 0 HG22 THR A 90 6.627 9.492 -10.878 0.50 0.00 H new ATOM 0 HG23 THR A 90 6.302 8.934 -9.220 0.50 0.00 H new ATOM 1386 N LYS A 91 11.057 9.260 -10.405 0.50 0.00 N ATOM 1387 CA LYS A 91 12.547 9.339 -10.315 0.50 0.00 C ATOM 1388 C LYS A 91 12.996 9.500 -8.858 0.50 0.00 C ATOM 1389 O LYS A 91 14.056 9.048 -8.475 0.50 0.00 O ATOM 1390 CB LYS A 91 12.934 10.571 -11.139 0.50 0.00 C ATOM 1391 CG LYS A 91 12.271 11.819 -10.550 0.50 0.00 C ATOM 1392 CD LYS A 91 12.717 13.053 -11.337 0.50 0.00 C ATOM 1393 CE LYS A 91 11.536 14.014 -11.498 0.50 0.00 C ATOM 1394 NZ LYS A 91 11.624 14.499 -12.903 0.50 0.00 N ATOM 0 H LYS A 91 10.624 9.945 -11.024 0.50 0.00 H new ATOM 0 HA LYS A 91 13.025 8.433 -10.688 0.50 0.00 H new ATOM 0 HB2 LYS A 91 14.017 10.691 -11.143 0.50 0.00 H new ATOM 0 HB3 LYS A 91 12.624 10.438 -12.176 0.50 0.00 H new ATOM 0 HG2 LYS A 91 11.186 11.721 -10.591 0.50 0.00 H new ATOM 0 HG3 LYS A 91 12.542 11.927 -9.500 0.50 0.00 H new ATOM 0 HD2 LYS A 91 13.536 13.551 -10.818 0.50 0.00 H new ATOM 0 HD3 LYS A 91 13.093 12.756 -12.316 0.50 0.00 H new ATOM 0 HE2 LYS A 91 10.588 13.509 -11.313 0.50 0.00 H new ATOM 0 HE3 LYS A 91 11.600 14.840 -10.790 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 10.846 15.164 -13.090 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 12.534 14.981 -13.047 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 11.553 13.691 -13.554 0.50 0.00 H new ATOM 1408 N ASP A 92 12.203 10.145 -8.045 0.50 0.00 N ATOM 1409 CA ASP A 92 12.595 10.332 -6.617 0.50 0.00 C ATOM 1410 C ASP A 92 11.355 10.518 -5.738 0.50 0.00 C ATOM 1411 O ASP A 92 11.290 11.426 -4.932 0.50 0.00 O ATOM 1412 CB ASP A 92 13.453 11.598 -6.606 0.50 0.00 C ATOM 1413 CG ASP A 92 14.172 11.715 -5.262 0.50 0.00 C ATOM 1414 OD1 ASP A 92 13.570 12.227 -4.332 0.50 0.00 O ATOM 1415 OD2 ASP A 92 15.314 11.293 -5.185 0.50 0.00 O ATOM 0 H ASP A 92 11.304 10.549 -8.306 0.50 0.00 H new ATOM 0 HA ASP A 92 13.131 9.468 -6.223 0.50 0.00 H new ATOM 0 HB2 ASP A 92 14.180 11.565 -7.418 0.50 0.00 H new ATOM 0 HB3 ASP A 92 12.828 12.475 -6.774 0.50 0.00 H new ATOM 1420 N ARG A 93 10.370 9.669 -5.883 0.50 0.00 N ATOM 1421 CA ARG A 93 9.137 9.808 -5.049 0.50 0.00 C ATOM 1422 C ARG A 93 8.170 8.654 -5.324 0.50 0.00 C ATOM 1423 O ARG A 93 7.577 8.568 -6.381 0.50 0.00 O ATOM 1424 CB ARG A 93 8.510 11.142 -5.474 0.50 0.00 C ATOM 1425 CG ARG A 93 8.240 12.000 -4.237 0.50 0.00 C ATOM 1426 CD ARG A 93 7.110 12.988 -4.536 0.50 0.00 C ATOM 1427 NE ARG A 93 7.795 14.217 -5.026 0.50 0.00 N ATOM 1428 CZ ARG A 93 7.163 15.359 -5.025 0.50 0.00 C ATOM 1429 NH1 ARG A 93 6.520 15.749 -3.958 0.50 0.00 N ATOM 1430 NH2 ARG A 93 7.174 16.111 -6.093 0.50 0.00 N ATOM 0 H ARG A 93 10.365 8.889 -6.540 0.50 0.00 H new ATOM 0 HA ARG A 93 9.364 9.784 -3.983 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.178 11.669 -6.155 0.50 0.00 H new ATOM 0 HB3 ARG A 93 7.581 10.963 -6.014 0.50 0.00 H new ATOM 0 HG2 ARG A 93 7.968 11.365 -3.394 0.50 0.00 H new ATOM 0 HG3 ARG A 93 9.143 12.540 -3.952 0.50 0.00 H new ATOM 0 HD2 ARG A 93 6.426 12.591 -5.286 0.50 0.00 H new ATOM 0 HD3 ARG A 93 6.519 13.194 -3.644 0.50 0.00 H new ATOM 0 HE ARG A 93 8.757 14.166 -5.362 0.50 0.00 H new ATOM 0 HH11 ARG A 93 6.511 15.161 -3.124 0.50 0.00 H new ATOM 0 HH12 ARG A 93 6.026 16.642 -3.958 0.50 0.00 H new ATOM 0 HH21 ARG A 93 7.676 15.806 -6.927 0.50 0.00 H new ATOM 0 HH22 ARG A 93 6.680 17.004 -6.093 0.50 0.00 H new ATOM 1444 N SER A 94 7.998 7.772 -4.377 0.50 0.00 N ATOM 1445 CA SER A 94 7.060 6.632 -4.583 0.50 0.00 C ATOM 1446 C SER A 94 5.616 7.129 -4.503 0.50 0.00 C ATOM 1447 O SER A 94 5.295 7.999 -3.719 0.50 0.00 O ATOM 1448 CB SER A 94 7.357 5.658 -3.446 0.50 0.00 C ATOM 1449 OG SER A 94 6.609 4.466 -3.642 0.50 0.00 O ATOM 0 H SER A 94 8.466 7.792 -3.471 0.50 0.00 H new ATOM 0 HA SER A 94 7.185 6.161 -5.558 0.50 0.00 H new ATOM 0 HB2 SER A 94 8.423 5.431 -3.415 0.50 0.00 H new ATOM 0 HB3 SER A 94 7.099 6.110 -2.488 0.50 0.00 H new ATOM 0 HG SER A 94 6.006 4.329 -2.881 0.50 0.00 H new ATOM 1455 N ILE A 95 4.743 6.591 -5.312 0.50 0.00 N ATOM 1456 CA ILE A 95 3.326 7.048 -5.278 0.50 0.00 C ATOM 1457 C ILE A 95 2.381 5.853 -5.117 0.50 0.00 C ATOM 1458 O ILE A 95 2.487 4.865 -5.819 0.50 0.00 O ATOM 1459 CB ILE A 95 3.105 7.767 -6.626 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.503 9.150 -6.373 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.147 6.970 -7.520 0.50 0.00 C ATOM 1462 CD1 ILE A 95 3.026 10.132 -7.423 0.50 0.00 C ATOM 0 H ILE A 95 4.949 5.859 -5.991 0.50 0.00 H new ATOM 0 HA ILE A 95 3.122 7.709 -4.436 0.50 0.00 H new ATOM 0 HB ILE A 95 4.068 7.856 -7.128 0.50 0.00 H new ATOM 0 HG12 ILE A 95 1.415 9.099 -6.417 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.766 9.496 -5.373 0.50 0.00 H new ATOM 0 HG21 ILE A 95 2.007 7.497 -8.464 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.567 5.983 -7.714 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.185 6.863 -7.018 0.50 0.00 H new ATOM 0 HD11 ILE A 95 2.598 11.118 -7.244 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.112 10.191 -7.357 0.50 0.00 H new ATOM 0 HD13 ILE A 95 2.741 9.788 -8.417 0.50 0.00 H new ATOM 1474 N PHE A 96 1.444 5.947 -4.214 0.50 0.00 N ATOM 1475 CA PHE A 96 0.477 4.831 -4.026 0.50 0.00 C ATOM 1476 C PHE A 96 -0.933 5.335 -4.337 0.50 0.00 C ATOM 1477 O PHE A 96 -1.600 5.909 -3.498 0.50 0.00 O ATOM 1478 CB PHE A 96 0.602 4.421 -2.557 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.360 3.295 -2.269 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -0.129 2.026 -2.812 0.50 0.00 C ATOM 1481 CD2 PHE A 96 -1.483 3.520 -1.464 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -1.021 0.980 -2.550 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -2.375 2.473 -1.202 0.50 0.00 C ATOM 1484 CZ PHE A 96 -2.144 1.203 -1.745 0.50 0.00 C ATOM 0 H PHE A 96 1.307 6.749 -3.599 0.50 0.00 H new ATOM 0 HA PHE A 96 0.676 3.985 -4.683 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.623 4.106 -2.341 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.387 5.272 -1.911 0.50 0.00 H new ATOM 0 HD1 PHE A 96 0.738 1.854 -3.433 0.50 0.00 H new ATOM 0 HD2 PHE A 96 -1.661 4.500 -1.046 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -0.843 0.001 -2.969 0.50 0.00 H new ATOM 0 HE2 PHE A 96 -3.242 2.645 -0.581 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.832 0.396 -1.543 0.50 0.00 H new ATOM 1494 N THR A 97 -1.388 5.124 -5.539 0.50 0.00 N ATOM 1495 CA THR A 97 -2.754 5.592 -5.918 0.50 0.00 C ATOM 1496 C THR A 97 -3.615 4.397 -6.327 0.50 0.00 C ATOM 1497 O THR A 97 -3.395 3.783 -7.352 0.50 0.00 O ATOM 1498 CB THR A 97 -2.553 6.558 -7.097 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.781 6.707 -7.797 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.484 6.020 -8.055 0.50 0.00 C ATOM 0 H THR A 97 -0.873 4.647 -6.279 0.50 0.00 H new ATOM 0 HA THR A 97 -3.265 6.086 -5.092 0.50 0.00 H new ATOM 0 HB THR A 97 -2.225 7.523 -6.710 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.526 6.678 -7.161 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.355 6.716 -8.884 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.540 5.911 -7.522 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.797 5.050 -8.442 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.590 4.059 -5.528 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.461 2.895 -5.866 0.50 0.00 C ATOM 1510 C VAL A 98 -6.914 3.344 -6.038 0.50 0.00 C ATOM 1511 O VAL A 98 -7.456 4.059 -5.220 0.50 0.00 O ATOM 1512 CB VAL A 98 -5.315 1.929 -4.681 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.625 2.654 -3.368 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -6.281 0.752 -4.852 0.50 0.00 C ATOM 0 H VAL A 98 -4.822 4.537 -4.657 0.50 0.00 H new ATOM 0 HA VAL A 98 -5.174 2.424 -6.806 0.50 0.00 H new ATOM 0 HB VAL A 98 -4.290 1.560 -4.652 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.518 1.959 -2.535 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.932 3.485 -3.239 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.646 3.034 -3.395 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -6.175 0.069 -4.009 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -7.305 1.124 -4.890 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -6.052 0.225 -5.778 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.548 2.922 -7.100 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.967 3.316 -7.330 0.50 0.00 C ATOM 1526 C GLU A 99 -9.897 2.174 -6.923 0.50 0.00 C ATOM 1527 O GLU A 99 -10.839 1.844 -7.616 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.067 3.587 -8.832 0.50 0.00 C ATOM 1529 CG GLU A 99 -10.377 4.320 -9.132 0.50 0.00 C ATOM 1530 CD GLU A 99 -10.489 4.566 -10.638 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -11.026 3.709 -11.320 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -10.038 5.609 -11.083 0.50 0.00 O ATOM 0 H GLU A 99 -7.143 2.321 -7.818 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.257 4.188 -6.744 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -8.219 4.187 -9.161 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -9.028 2.649 -9.385 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -11.225 3.729 -8.785 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -10.408 5.268 -8.594 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.633 1.570 -5.799 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.488 0.447 -5.327 0.50 0.00 C ATOM 1541 C GLY A 100 -10.065 0.044 -3.914 0.50 0.00 C ATOM 1542 O GLY A 100 -10.217 -1.093 -3.511 0.50 0.00 O ATOM 0 H GLY A 100 -8.856 1.808 -5.183 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.536 0.746 -5.333 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -10.395 -0.404 -6.002 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.709 -2.185 3.270 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.176 -1.521 4.498 0.50 0.00 C ATOM 1622 C GLU A 106 -6.355 -2.512 5.329 0.50 0.00 C ATOM 1623 O GLU A 106 -6.411 -3.708 5.120 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.412 -1.070 5.275 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.098 0.222 6.032 0.50 0.00 C ATOM 1626 CD GLU A 106 -9.072 0.380 7.200 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -10.219 0.713 6.949 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -8.656 0.164 8.326 0.50 0.00 O ATOM 0 HA GLU A 106 -6.516 -0.687 4.258 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -9.246 -0.910 4.591 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.719 -1.848 5.974 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -7.072 0.200 6.401 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -8.177 1.077 5.361 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.594 -2.020 6.269 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.766 -2.925 7.116 0.50 0.00 C ATOM 1637 C GLY A 107 -3.419 -2.260 7.402 0.50 0.00 C ATOM 1638 O GLY A 107 -3.356 -1.117 7.813 0.50 0.00 O ATOM 0 H GLY A 107 -5.510 -1.027 6.487 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.283 -3.141 8.051 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.614 -3.878 6.609 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.342 -2.964 7.183 0.50 0.00 N ATOM 1643 CA VAL A 108 -0.996 -2.371 7.438 0.50 0.00 C ATOM 1644 C VAL A 108 -0.070 -2.646 6.252 0.50 0.00 C ATOM 1645 O VAL A 108 -0.187 -3.651 5.578 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.488 -3.066 8.704 0.50 0.00 C ATOM 1647 CG1 VAL A 108 0.989 -2.729 8.928 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.302 -2.577 9.901 0.50 0.00 C ATOM 0 H VAL A 108 -2.335 -3.924 6.839 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.033 -1.289 7.563 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.596 -4.145 8.592 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.343 -3.227 9.831 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.573 -3.069 8.073 0.50 0.00 H new ATOM 0 HG13 VAL A 108 1.103 -1.651 9.040 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -0.947 -3.067 10.807 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.187 -1.498 10.003 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.354 -2.817 9.748 0.50 0.00 H new ATOM 1658 N TYR A 109 0.849 -1.757 5.996 0.50 0.00 N ATOM 1659 CA TYR A 109 1.787 -1.958 4.853 0.50 0.00 C ATOM 1660 C TYR A 109 3.214 -1.595 5.264 0.50 0.00 C ATOM 1661 O TYR A 109 3.432 -0.850 6.199 0.50 0.00 O ATOM 1662 CB TYR A 109 1.303 -1.006 3.757 0.50 0.00 C ATOM 1663 CG TYR A 109 0.016 -1.521 3.156 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.195 -1.352 3.837 0.50 0.00 C ATOM 1665 CD2 TYR A 109 0.036 -2.165 1.913 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.386 -1.827 3.276 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.155 -2.641 1.352 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.366 -2.471 2.033 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.540 -2.940 1.479 0.50 0.00 O ATOM 0 H TYR A 109 0.992 -0.899 6.529 0.50 0.00 H new ATOM 0 HA TYR A 109 1.799 -2.996 4.520 0.50 0.00 H new ATOM 0 HB2 TYR A 109 1.147 -0.010 4.172 0.50 0.00 H new ATOM 0 HB3 TYR A 109 2.064 -0.913 2.982 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.210 -0.855 4.796 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.970 -2.295 1.387 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.320 -1.697 3.802 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.139 -3.139 0.394 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.349 -3.360 0.614 0.50 0.00 H new ATOM 1679 N THR A 110 4.184 -2.103 4.555 0.50 0.00 N ATOM 1680 CA THR A 110 5.601 -1.778 4.878 0.50 0.00 C ATOM 1681 C THR A 110 6.365 -1.539 3.578 0.50 0.00 C ATOM 1682 O THR A 110 6.732 -2.466 2.886 0.50 0.00 O ATOM 1683 CB THR A 110 6.147 -3.005 5.608 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.209 -3.425 6.591 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.472 -2.646 6.283 0.50 0.00 C ATOM 0 H THR A 110 4.055 -2.732 3.762 0.50 0.00 H new ATOM 0 HA THR A 110 5.698 -0.882 5.491 0.50 0.00 H new ATOM 0 HB THR A 110 6.311 -3.813 4.895 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.556 -4.213 7.059 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.863 -3.520 6.804 0.50 0.00 H new ATOM 0 HG22 THR A 110 8.189 -2.323 5.528 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.309 -1.840 6.998 0.50 0.00 H new ATOM 1693 N VAL A 111 6.593 -0.304 3.233 0.50 0.00 N ATOM 1694 CA VAL A 111 7.318 -0.011 1.965 0.50 0.00 C ATOM 1695 C VAL A 111 8.831 -0.028 2.200 0.50 0.00 C ATOM 1696 O VAL A 111 9.328 0.518 3.165 0.50 0.00 O ATOM 1697 CB VAL A 111 6.814 1.372 1.538 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.294 2.447 2.509 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.330 1.692 0.138 0.50 0.00 C ATOM 0 H VAL A 111 6.310 0.514 3.772 0.50 0.00 H new ATOM 0 HA VAL A 111 7.133 -0.754 1.189 0.50 0.00 H new ATOM 0 HB VAL A 111 5.724 1.359 1.541 0.50 0.00 H new ATOM 0 HG11 VAL A 111 6.924 3.420 2.186 0.50 0.00 H new ATOM 0 HG12 VAL A 111 6.917 2.229 3.508 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.384 2.461 2.527 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.972 2.676 -0.166 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.420 1.688 0.142 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.967 0.941 -0.564 0.50 0.00 H new ATOM 1709 N THR A 112 9.565 -0.676 1.331 0.50 0.00 N ATOM 1710 CA THR A 112 11.045 -0.756 1.512 0.50 0.00 C ATOM 1711 C THR A 112 11.780 -0.137 0.318 0.50 0.00 C ATOM 1712 O THR A 112 11.528 -0.472 -0.822 0.50 0.00 O ATOM 1713 CB THR A 112 11.334 -2.258 1.598 0.50 0.00 C ATOM 1714 OG1 THR A 112 10.671 -2.799 2.732 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.842 -2.489 1.730 0.50 0.00 C ATOM 0 H THR A 112 9.203 -1.152 0.505 0.50 0.00 H new ATOM 0 HA THR A 112 11.382 -0.210 2.393 0.50 0.00 H new ATOM 0 HB THR A 112 10.974 -2.748 0.693 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.852 -3.760 2.789 0.50 0.00 H new ATOM 0 HG21 THR A 112 13.042 -3.559 1.791 0.50 0.00 H new ATOM 0 HG22 THR A 112 13.351 -2.073 0.861 0.50 0.00 H new ATOM 0 HG23 THR A 112 13.207 -2.000 2.633 0.50 0.00 H new ATOM 1723 N VAL A 113 12.704 0.752 0.577 0.50 0.00 N ATOM 1724 CA VAL A 113 13.476 1.382 -0.536 0.50 0.00 C ATOM 1725 C VAL A 113 14.857 0.721 -0.634 0.50 0.00 C ATOM 1726 O VAL A 113 15.544 0.564 0.357 0.50 0.00 O ATOM 1727 CB VAL A 113 13.600 2.868 -0.165 0.50 0.00 C ATOM 1728 CG1 VAL A 113 12.219 3.434 0.175 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.523 3.027 1.046 0.50 0.00 C ATOM 0 H VAL A 113 12.958 1.069 1.513 0.50 0.00 H new ATOM 0 HA VAL A 113 12.989 1.262 -1.504 0.50 0.00 H new ATOM 0 HB VAL A 113 14.018 3.410 -1.013 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.312 4.488 0.437 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.561 3.332 -0.688 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.799 2.886 1.018 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.607 4.083 1.304 0.50 0.00 H new ATOM 0 HG22 VAL A 113 14.110 2.478 1.893 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.510 2.633 0.805 0.50 0.00 H new ATOM 1739 N LYS A 114 15.265 0.321 -1.810 0.50 0.00 N ATOM 1740 CA LYS A 114 16.597 -0.341 -1.944 0.50 0.00 C ATOM 1741 C LYS A 114 17.385 0.234 -3.124 0.50 0.00 C ATOM 1742 O LYS A 114 16.844 0.899 -3.986 0.50 0.00 O ATOM 1743 CB LYS A 114 16.278 -1.817 -2.187 0.50 0.00 C ATOM 1744 CG LYS A 114 17.307 -2.690 -1.462 0.50 0.00 C ATOM 1745 CD LYS A 114 17.706 -3.864 -2.359 0.50 0.00 C ATOM 1746 CE LYS A 114 17.877 -5.125 -1.507 0.50 0.00 C ATOM 1747 NZ LYS A 114 19.339 -5.211 -1.238 0.50 0.00 N ATOM 0 H LYS A 114 14.738 0.423 -2.678 0.50 0.00 H new ATOM 0 HA LYS A 114 17.214 -0.187 -1.059 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.274 -2.047 -1.829 0.50 0.00 H new ATOM 0 HB3 LYS A 114 16.292 -2.032 -3.256 0.50 0.00 H new ATOM 0 HG2 LYS A 114 18.186 -2.098 -1.208 0.50 0.00 H new ATOM 0 HG3 LYS A 114 16.890 -3.060 -0.525 0.50 0.00 H new ATOM 0 HD2 LYS A 114 16.944 -4.028 -3.121 0.50 0.00 H new ATOM 0 HD3 LYS A 114 18.635 -3.637 -2.881 0.50 0.00 H new ATOM 0 HE2 LYS A 114 17.308 -5.055 -0.580 0.50 0.00 H new ATOM 0 HE3 LYS A 114 17.520 -6.009 -2.034 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 19.536 -6.051 -0.658 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 19.854 -5.283 -2.139 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 19.649 -4.359 -0.729 0.50 0.00 H new ATOM 1761 N ASN A 115 18.664 -0.030 -3.163 0.50 0.00 N ATOM 1762 CA ASN A 115 19.516 0.481 -4.278 0.50 0.00 C ATOM 1763 C ASN A 115 20.904 -0.173 -4.198 0.50 0.00 C ATOM 1764 O ASN A 115 21.174 -0.929 -3.285 0.50 0.00 O ATOM 1765 CB ASN A 115 19.603 1.993 -4.057 0.50 0.00 C ATOM 1766 CG ASN A 115 19.019 2.732 -5.263 0.50 0.00 C ATOM 1767 OD1 ASN A 115 18.831 2.156 -6.316 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.724 3.998 -5.151 0.50 0.00 N ATOM 0 H ASN A 115 19.160 -0.583 -2.464 0.50 0.00 H new ATOM 0 HA ASN A 115 19.109 0.251 -5.263 0.50 0.00 H new ATOM 0 HB2 ASN A 115 19.060 2.269 -3.153 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.642 2.288 -3.907 0.50 0.00 H new ATOM 0 HD21 ASN A 115 18.336 4.504 -5.947 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.882 4.482 -4.267 0.50 0.00 H new ATOM 1775 N PRO A 116 21.740 0.126 -5.161 0.50 0.00 N ATOM 1776 CA PRO A 116 23.101 -0.470 -5.193 0.50 0.00 C ATOM 1777 C PRO A 116 24.003 0.105 -4.092 0.50 0.00 C ATOM 1778 O PRO A 116 25.128 -0.323 -3.928 0.50 0.00 O ATOM 1779 CB PRO A 116 23.625 -0.095 -6.577 0.50 0.00 C ATOM 1780 CG PRO A 116 22.856 1.124 -6.967 0.50 0.00 C ATOM 1781 CD PRO A 116 21.511 1.032 -6.295 0.50 0.00 C ATOM 0 HA PRO A 116 23.085 -1.545 -5.016 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.696 0.106 -6.552 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.469 -0.904 -7.290 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.381 2.027 -6.656 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.743 1.178 -8.050 0.50 0.00 H new ATOM 0 HD2 PRO A 116 21.164 2.010 -5.961 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.753 0.639 -6.972 0.50 0.00 H new ATOM 1789 N VAL A 117 23.531 1.063 -3.334 0.50 0.00 N ATOM 1790 CA VAL A 117 24.392 1.634 -2.254 0.50 0.00 C ATOM 1791 C VAL A 117 23.897 1.184 -0.873 0.50 0.00 C ATOM 1792 O VAL A 117 24.681 0.992 0.036 0.50 0.00 O ATOM 1793 CB VAL A 117 24.293 3.152 -2.403 0.50 0.00 C ATOM 1794 CG1 VAL A 117 25.210 3.821 -1.378 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.734 3.557 -3.811 0.50 0.00 C ATOM 0 H VAL A 117 22.599 1.470 -3.414 0.50 0.00 H new ATOM 0 HA VAL A 117 25.424 1.294 -2.340 0.50 0.00 H new ATOM 0 HB VAL A 117 23.263 3.467 -2.238 0.50 0.00 H new ATOM 0 HG11 VAL A 117 25.142 4.904 -1.481 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.904 3.532 -0.373 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.239 3.504 -1.549 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.663 4.640 -3.917 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.765 3.243 -3.974 0.50 0.00 H new ATOM 0 HG23 VAL A 117 24.088 3.077 -4.547 0.50 0.00 H new ATOM 1805 N GLY A 118 22.608 1.011 -0.699 0.50 0.00 N ATOM 1806 CA GLY A 118 22.100 0.571 0.635 0.50 0.00 C ATOM 1807 C GLY A 118 20.607 0.253 0.547 0.50 0.00 C ATOM 1808 O GLY A 118 20.111 -0.170 -0.479 0.50 0.00 O ATOM 0 H GLY A 118 21.895 1.154 -1.415 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.649 -0.309 0.970 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.271 1.353 1.374 0.50 0.00 H new ATOM 1812 N GLU A 119 19.884 0.460 1.618 0.50 0.00 N ATOM 1813 CA GLU A 119 18.418 0.176 1.601 0.50 0.00 C ATOM 1814 C GLU A 119 17.748 0.736 2.861 0.50 0.00 C ATOM 1815 O GLU A 119 18.342 0.799 3.919 0.50 0.00 O ATOM 1816 CB GLU A 119 18.309 -1.351 1.567 0.50 0.00 C ATOM 1817 CG GLU A 119 18.968 -1.945 2.815 0.50 0.00 C ATOM 1818 CD GLU A 119 19.777 -3.185 2.429 0.50 0.00 C ATOM 1819 OE1 GLU A 119 19.165 -4.189 2.102 0.50 0.00 O ATOM 1820 OE2 GLU A 119 20.993 -3.109 2.465 0.50 0.00 O ATOM 0 H GLU A 119 20.246 0.814 2.504 0.50 0.00 H new ATOM 0 HA GLU A 119 17.921 0.640 0.749 0.50 0.00 H new ATOM 0 HB2 GLU A 119 17.262 -1.649 1.521 0.50 0.00 H new ATOM 0 HB3 GLU A 119 18.791 -1.739 0.670 0.50 0.00 H new ATOM 0 HG2 GLU A 119 19.618 -1.205 3.282 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.207 -2.209 3.549 0.50 0.00 H new ATOM 1827 N ASP A 120 16.509 1.135 2.753 0.50 0.00 N ATOM 1828 CA ASP A 120 15.784 1.684 3.939 0.50 0.00 C ATOM 1829 C ASP A 120 14.368 1.102 3.991 0.50 0.00 C ATOM 1830 O ASP A 120 13.916 0.473 3.054 0.50 0.00 O ATOM 1831 CB ASP A 120 15.744 3.199 3.723 0.50 0.00 C ATOM 1832 CG ASP A 120 16.425 3.905 4.899 0.50 0.00 C ATOM 1833 OD1 ASP A 120 17.339 3.326 5.465 0.50 0.00 O ATOM 1834 OD2 ASP A 120 16.025 5.014 5.213 0.50 0.00 O ATOM 0 H ASP A 120 15.964 1.105 1.891 0.50 0.00 H new ATOM 0 HA ASP A 120 16.271 1.431 4.881 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.247 3.457 2.791 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.711 3.536 3.632 0.50 0.00 H new ATOM 1839 N GLN A 121 13.667 1.295 5.078 0.50 0.00 N ATOM 1840 CA GLN A 121 12.287 0.734 5.173 0.50 0.00 C ATOM 1841 C GLN A 121 11.373 1.661 5.982 0.50 0.00 C ATOM 1842 O GLN A 121 11.824 2.493 6.744 0.50 0.00 O ATOM 1843 CB GLN A 121 12.454 -0.610 5.889 0.50 0.00 C ATOM 1844 CG GLN A 121 11.911 -1.735 5.005 0.50 0.00 C ATOM 1845 CD GLN A 121 11.774 -3.013 5.834 0.50 0.00 C ATOM 1846 OE1 GLN A 121 11.111 -3.023 6.852 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.377 -4.101 5.439 0.50 0.00 N ATOM 0 H GLN A 121 13.987 1.812 5.897 0.50 0.00 H new ATOM 0 HA GLN A 121 11.826 0.625 4.191 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.506 -0.786 6.113 0.50 0.00 H new ATOM 0 HB3 GLN A 121 11.924 -0.594 6.841 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.943 -1.452 4.591 0.50 0.00 H new ATOM 0 HG3 GLN A 121 12.581 -1.905 4.162 0.50 0.00 H new ATOM 0 HE21 GLN A 121 12.934 -4.094 4.584 0.50 0.00 H new ATOM 0 HE22 GLN A 121 12.291 -4.958 5.985 0.50 0.00 H new ATOM 1856 N VAL A 122 10.089 1.504 5.817 0.50 0.00 N ATOM 1857 CA VAL A 122 9.110 2.350 6.564 0.50 0.00 C ATOM 1858 C VAL A 122 7.739 1.667 6.536 0.50 0.00 C ATOM 1859 O VAL A 122 7.472 0.828 5.698 0.50 0.00 O ATOM 1860 CB VAL A 122 9.078 3.713 5.836 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.315 3.526 4.336 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.717 4.390 6.046 0.50 0.00 C ATOM 0 H VAL A 122 9.669 0.818 5.189 0.50 0.00 H new ATOM 0 HA VAL A 122 9.385 2.488 7.610 0.50 0.00 H new ATOM 0 HB VAL A 122 9.869 4.339 6.250 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.289 4.496 3.840 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.289 3.063 4.176 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.536 2.886 3.922 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.704 5.350 5.529 0.50 0.00 H new ATOM 0 HG22 VAL A 122 6.928 3.753 5.647 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.550 4.549 7.111 0.50 0.00 H new ATOM 1872 N ASN A 123 6.873 2.009 7.449 0.50 0.00 N ATOM 1873 CA ASN A 123 5.526 1.366 7.477 0.50 0.00 C ATOM 1874 C ASN A 123 4.478 2.289 6.852 0.50 0.00 C ATOM 1875 O ASN A 123 4.520 3.493 7.013 0.50 0.00 O ATOM 1876 CB ASN A 123 5.215 1.138 8.957 0.50 0.00 C ATOM 1877 CG ASN A 123 6.356 0.357 9.614 0.50 0.00 C ATOM 1878 OD1 ASN A 123 7.091 -0.343 8.947 0.50 0.00 O ATOM 1879 ND2 ASN A 123 6.536 0.449 10.903 0.50 0.00 N ATOM 0 H ASN A 123 7.038 2.705 8.177 0.50 0.00 H new ATOM 0 HA ASN A 123 5.511 0.436 6.909 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.080 2.095 9.461 0.50 0.00 H new ATOM 0 HB3 ASN A 123 4.279 0.588 9.061 0.50 0.00 H new ATOM 0 HD21 ASN A 123 7.294 -0.067 11.350 0.50 0.00 H new ATOM 0 HD22 ASN A 123 5.919 1.037 11.463 0.50 0.00 H new ATOM 1886 N LEU A 124 3.533 1.728 6.147 0.50 0.00 N ATOM 1887 CA LEU A 124 2.472 2.563 5.515 0.50 0.00 C ATOM 1888 C LEU A 124 1.108 2.205 6.116 0.50 0.00 C ATOM 1889 O LEU A 124 0.693 1.063 6.104 0.50 0.00 O ATOM 1890 CB LEU A 124 2.532 2.220 4.019 0.50 0.00 C ATOM 1891 CG LEU A 124 1.289 2.765 3.290 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.698 3.878 2.324 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.627 1.636 2.496 0.50 0.00 C ATOM 0 H LEU A 124 3.450 0.725 5.981 0.50 0.00 H new ATOM 0 HA LEU A 124 2.618 3.630 5.681 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.434 2.644 3.579 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.592 1.139 3.890 0.50 0.00 H new ATOM 0 HG LEU A 124 0.590 3.161 4.027 0.50 0.00 H new ATOM 0 HD11 LEU A 124 0.814 4.259 1.812 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.172 4.687 2.880 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.400 3.483 1.590 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.253 2.021 1.980 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.333 1.243 1.765 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.328 0.839 3.177 0.50 0.00 H new ATOM 1905 N THR A 125 0.410 3.178 6.641 0.50 0.00 N ATOM 1906 CA THR A 125 -0.927 2.898 7.242 0.50 0.00 C ATOM 1907 C THR A 125 -2.035 3.339 6.285 0.50 0.00 C ATOM 1908 O THR A 125 -1.989 4.416 5.722 0.50 0.00 O ATOM 1909 CB THR A 125 -0.964 3.726 8.529 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.268 3.574 9.221 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.113 3.246 9.417 0.50 0.00 C ATOM 0 H THR A 125 0.708 4.153 6.679 0.50 0.00 H new ATOM 0 HA THR A 125 -1.080 1.837 7.438 0.50 0.00 H new ATOM 0 HB THR A 125 -1.117 4.776 8.281 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.248 4.104 10.045 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.137 3.837 10.332 0.50 0.00 H new ATOM 0 HG22 THR A 125 -3.057 3.363 8.885 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.965 2.196 9.667 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.031 2.515 6.095 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.142 2.886 5.171 0.50 0.00 C ATOM 1921 C VAL A 126 -5.482 2.862 5.913 0.50 0.00 C ATOM 1922 O VAL A 126 -5.620 2.234 6.945 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.113 1.827 4.065 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.257 0.434 4.681 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.269 2.073 3.092 0.50 0.00 C ATOM 0 H VAL A 126 -3.123 1.602 6.539 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.025 3.892 4.769 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.165 1.891 3.531 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.236 -0.317 3.891 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.434 0.256 5.373 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.203 0.370 5.218 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.249 1.319 2.305 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.216 2.011 3.629 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.167 3.064 2.649 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.469 3.541 5.392 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.802 3.560 6.062 0.50 0.00 C ATOM 1937 C LYS A 127 -8.908 3.770 5.022 0.50 0.00 C ATOM 1938 O LYS A 127 -8.897 4.731 4.279 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.741 4.744 7.028 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.430 4.369 8.341 0.50 0.00 C ATOM 1941 CD LYS A 127 -7.747 5.094 9.502 0.50 0.00 C ATOM 1942 CE LYS A 127 -6.637 4.210 10.076 0.50 0.00 C ATOM 1943 NZ LYS A 127 -7.223 3.610 11.308 0.50 0.00 N ATOM 0 H LYS A 127 -6.410 4.084 4.531 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.022 2.625 6.578 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.703 5.020 7.216 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -8.227 5.613 6.585 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -9.485 4.639 8.300 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -8.383 3.291 8.494 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -7.331 6.041 9.158 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -8.476 5.329 10.277 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -6.338 3.440 9.365 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -5.746 4.794 10.306 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -6.521 2.989 11.760 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -7.492 4.367 11.969 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -8.065 3.054 11.057 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.861 2.878 4.965 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.965 3.028 3.972 0.50 0.00 C ATOM 1959 C VAL A 128 -12.246 3.499 4.665 0.50 0.00 C ATOM 1960 O VAL A 128 -12.775 2.833 5.533 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.166 1.633 3.373 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.292 1.684 2.339 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -9.879 1.170 2.688 0.50 0.00 C ATOM 0 H VAL A 128 -9.923 2.053 5.562 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.725 3.768 3.208 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.423 0.935 4.170 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.438 0.692 1.911 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.214 2.010 2.821 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -12.028 2.386 1.548 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.029 0.177 2.264 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.619 1.868 1.893 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.071 1.134 3.418 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.752 4.636 4.274 0.50 0.00 N ATOM 1974 CA ILE A 129 -14.002 5.151 4.888 0.50 0.00 C ATOM 1975 C ILE A 129 -15.208 4.620 4.110 0.50 0.00 C ATOM 1976 O ILE A 129 -15.121 4.348 2.927 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.896 6.673 4.760 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -12.741 7.183 5.630 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -15.202 7.322 5.216 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -12.975 6.790 7.093 0.50 0.00 C ATOM 0 H ILE A 129 -12.349 5.232 3.551 0.50 0.00 H new ATOM 0 HA ILE A 129 -14.129 4.841 5.925 0.50 0.00 H new ATOM 0 HB ILE A 129 -13.709 6.933 3.718 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -11.798 6.765 5.279 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -12.661 8.267 5.544 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -15.122 8.405 5.123 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -16.023 6.964 4.594 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -15.394 7.060 6.256 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -12.150 7.156 7.704 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -13.909 7.230 7.443 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -13.032 5.704 7.173 0.50 0.00 H new ATOM 1992 N ASP A 130 -16.327 4.466 4.762 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.534 3.950 4.055 0.50 0.00 C ATOM 1994 C ASP A 130 -18.694 4.940 4.194 0.50 0.00 C ATOM 1995 O ASP A 130 -19.044 5.554 3.200 0.50 0.00 O ATOM 1996 CB ASP A 130 -17.869 2.631 4.753 0.50 0.00 C ATOM 1997 CG ASP A 130 -18.814 1.811 3.873 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -19.814 2.360 3.441 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -18.521 0.649 3.646 0.50 0.00 O ATOM 2000 OXT ASP A 130 -19.211 5.067 5.292 0.50 0.00 O ATOM 0 H ASP A 130 -16.458 4.674 5.752 0.50 0.00 H new ATOM 0 HA ASP A 130 -17.359 3.814 2.988 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -16.956 2.068 4.947 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.334 2.827 5.719 0.50 0.00 H new