USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 70 ASN : amide:sc= -5.28! C(o=-5.3!,f=-11!) USER MOD Single : A 72 ASN : amide:sc= -0.504 K(o=-0.5,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.0787 (180deg=-0.484) USER MOD Single : B 552 SER OG : rot 180:sc= 0 USER MOD Single : B 556 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.8!) USER MOD Single : B 558 GLN : amide:sc= -1.97 K(o=-2,f=-2.7) USER MOD Single : B 559 LYS NZ :NH3+ -145:sc= -0.641 (180deg=-2.88!) USER MOD Single : B 560 GLN : amide:sc= -1.35 K(o=-1.4,f=-5!) USER MOD Single : B 561 MET CE :methyl 138:sc= -2.23 (180deg=-6.13!) USER MOD Single : B 571 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.2) USER MOD Single : B 573 MET CE :methyl -178:sc= -5.99! (180deg=-6.13!) USER MOD Single : B 574 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-6.2!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -1.25 USER MOD Single : B 580 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.176) USER MOD Single : B 582 THR OG1 : rot 180:sc= -0.791 USER MOD Single : B 584 MET CE :methyl 170:sc= -9.49! (180deg=-10.8!) USER MOD Single : B 590 ASN : amide:sc= -4.03! C(o=-4!,f=-10!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 596 MET CE :methyl -169:sc= -1.59 (180deg=-2.13) USER MOD Single : B 599 SER OG : rot 180:sc= -0.267 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -176:sc= -0.546 (180deg=-0.602) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 6.814 -1.676 -9.100 1.00 0.00 N ATOM 67 CA GLN A 68 6.814 -0.680 -10.165 1.00 0.00 C ATOM 68 C GLN A 68 5.495 0.085 -10.195 1.00 0.00 C ATOM 69 O GLN A 68 4.424 -0.495 -10.008 1.00 0.00 O ATOM 70 CB GLN A 68 7.060 -1.349 -11.518 1.00 0.00 C ATOM 71 CG GLN A 68 6.785 -0.440 -12.705 1.00 0.00 C ATOM 72 CD GLN A 68 7.354 -0.984 -14.001 1.00 0.00 C ATOM 73 OE1 GLN A 68 8.569 -1.111 -14.154 1.00 0.00 O ATOM 74 NE2 GLN A 68 6.476 -1.309 -14.943 1.00 0.00 N ATOM 0 HA GLN A 68 7.619 0.028 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.095 -1.689 -11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.430 -2.235 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.709 -0.306 -12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.211 0.544 -12.510 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.478 -1.187 -14.773 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.800 -1.680 -15.836 1.00 0.00 H new ATOM 83 N LEU A 69 5.578 1.390 -10.431 1.00 0.00 N ATOM 84 CA LEU A 69 4.390 2.235 -10.485 1.00 0.00 C ATOM 85 C LEU A 69 4.388 3.089 -11.749 1.00 0.00 C ATOM 86 O LEU A 69 5.271 2.965 -12.596 1.00 0.00 O ATOM 87 CB LEU A 69 4.322 3.133 -9.249 1.00 0.00 C ATOM 88 CG LEU A 69 5.600 3.899 -8.904 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.716 5.153 -9.755 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.627 4.252 -7.424 1.00 0.00 C ATOM 0 H LEU A 69 6.455 1.886 -10.588 1.00 0.00 H new ATOM 0 HA LEU A 69 3.513 1.587 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.518 3.854 -9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.049 2.517 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 69 6.455 3.258 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.631 5.685 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.743 4.876 -10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.857 5.798 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.543 4.797 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.765 4.875 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.592 3.338 -6.831 1.00 0.00 H new ATOM 102 N ASN A 70 3.389 3.958 -11.867 1.00 0.00 N ATOM 103 CA ASN A 70 3.272 4.835 -13.027 1.00 0.00 C ATOM 104 C ASN A 70 3.777 6.237 -12.701 1.00 0.00 C ATOM 105 O ASN A 70 3.468 6.791 -11.646 1.00 0.00 O ATOM 106 CB ASN A 70 1.817 4.901 -13.497 1.00 0.00 C ATOM 107 CG ASN A 70 0.902 5.525 -12.461 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.150 5.428 -11.259 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.162 6.170 -12.924 1.00 0.00 N ATOM 0 H ASN A 70 2.649 4.074 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 70 3.887 4.423 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.762 5.478 -14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.467 3.895 -13.728 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.814 6.611 -12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.328 6.225 -13.929 1.00 0.00 H new ATOM 116 N VAL A 71 4.556 6.807 -13.616 1.00 0.00 N ATOM 117 CA VAL A 71 5.103 8.145 -13.428 1.00 0.00 C ATOM 118 C VAL A 71 4.098 9.213 -13.842 1.00 0.00 C ATOM 119 O VAL A 71 4.147 10.345 -13.363 1.00 0.00 O ATOM 120 CB VAL A 71 6.402 8.338 -14.233 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.130 8.208 -15.724 1.00 0.00 C ATOM 122 CG2 VAL A 71 7.031 9.686 -13.913 1.00 0.00 C ATOM 0 H VAL A 71 4.822 6.362 -14.495 1.00 0.00 H new ATOM 0 HA VAL A 71 5.323 8.251 -12.366 1.00 0.00 H new ATOM 0 HB VAL A 71 7.106 7.557 -13.947 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.059 8.347 -16.277 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.727 7.218 -15.935 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.409 8.966 -16.030 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.948 9.806 -14.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.333 10.483 -14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.263 9.736 -12.849 1.00 0.00 H new ATOM 132 N ASN A 72 3.185 8.844 -14.735 1.00 0.00 N ATOM 133 CA ASN A 72 2.166 9.771 -15.214 1.00 0.00 C ATOM 134 C ASN A 72 1.046 9.926 -14.190 1.00 0.00 C ATOM 135 O ASN A 72 0.127 10.722 -14.376 1.00 0.00 O ATOM 136 CB ASN A 72 1.591 9.285 -16.546 1.00 0.00 C ATOM 137 CG ASN A 72 2.157 10.043 -17.732 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.425 10.705 -18.467 1.00 0.00 O ATOM 139 ND2 ASN A 72 3.468 9.948 -17.923 1.00 0.00 N ATOM 0 H ASN A 72 3.130 7.910 -15.141 1.00 0.00 H new ATOM 0 HA ASN A 72 2.636 10.743 -15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.802 8.222 -16.663 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.507 9.395 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.906 10.436 -18.704 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.037 9.388 -17.288 1.00 0.00 H new ATOM 146 N ALA A 73 1.132 9.159 -13.108 1.00 0.00 N ATOM 147 CA ALA A 73 0.127 9.213 -12.053 1.00 0.00 C ATOM 148 C ALA A 73 -0.091 10.645 -11.575 1.00 0.00 C ATOM 149 O ALA A 73 0.863 11.363 -11.275 1.00 0.00 O ATOM 150 CB ALA A 73 0.537 8.323 -10.889 1.00 0.00 C ATOM 0 H ALA A 73 1.886 8.494 -12.939 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.815 8.847 -12.463 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.222 8.372 -10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.635 7.294 -11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.492 8.664 -10.489 1.00 0.00 H new ATOM 156 N LYS A 74 -1.353 11.054 -11.507 1.00 0.00 N ATOM 157 CA LYS A 74 -1.698 12.401 -11.065 1.00 0.00 C ATOM 158 C LYS A 74 -0.996 12.740 -9.755 1.00 0.00 C ATOM 159 O LYS A 74 -0.900 11.918 -8.843 1.00 0.00 O ATOM 160 CB LYS A 74 -3.213 12.530 -10.893 1.00 0.00 C ATOM 161 CG LYS A 74 -3.646 13.854 -10.287 1.00 0.00 C ATOM 162 CD LYS A 74 -5.106 13.826 -9.870 1.00 0.00 C ATOM 163 CE LYS A 74 -6.031 13.990 -11.067 1.00 0.00 C ATOM 164 NZ LYS A 74 -5.876 15.325 -11.709 1.00 0.00 N ATOM 0 H LYS A 74 -2.154 10.473 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.364 13.104 -11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.692 12.411 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.569 11.717 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.024 14.079 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.489 14.655 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.324 12.884 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.295 14.623 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.821 13.209 -11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.065 13.858 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.804 15.790 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.233 15.912 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.482 15.207 -12.664 1.00 0.00 H new ATOM 178 N PRO A 75 -0.494 13.980 -9.655 1.00 0.00 N ATOM 179 CA PRO A 75 0.207 14.456 -8.459 1.00 0.00 C ATOM 180 C PRO A 75 -0.732 14.636 -7.270 1.00 0.00 C ATOM 181 O PRO A 75 -0.935 13.712 -6.482 1.00 0.00 O ATOM 182 CB PRO A 75 0.779 15.807 -8.897 1.00 0.00 C ATOM 183 CG PRO A 75 -0.120 16.260 -9.996 1.00 0.00 C ATOM 184 CD PRO A 75 -0.571 15.012 -10.703 1.00 0.00 C ATOM 0 HA PRO A 75 0.963 13.747 -8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.787 16.520 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.808 15.708 -9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.971 16.814 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.405 16.928 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.584 15.114 -11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.073 14.774 -11.549 1.00 0.00 H new ATOM 192 N PHE A 76 -1.303 15.830 -7.148 1.00 0.00 N ATOM 193 CA PHE A 76 -2.220 16.130 -6.055 1.00 0.00 C ATOM 194 C PHE A 76 -2.880 17.491 -6.257 1.00 0.00 C ATOM 195 O PHE A 76 -2.772 18.093 -7.325 1.00 0.00 O ATOM 196 CB PHE A 76 -1.478 16.104 -4.717 1.00 0.00 C ATOM 197 CG PHE A 76 -0.466 17.203 -4.571 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.697 17.197 -5.325 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.677 18.243 -3.680 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.630 18.207 -5.192 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.253 19.257 -3.543 1.00 0.00 C ATOM 202 CZ PHE A 76 1.408 19.239 -4.301 1.00 0.00 C ATOM 0 H PHE A 76 -1.147 16.605 -7.792 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.998 15.366 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.203 16.179 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.977 15.142 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.876 16.394 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.578 18.262 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.533 18.190 -5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.077 20.062 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.136 20.030 -4.197 1.00 0.00 H new ATOM 212 N VAL A 77 -3.564 17.970 -5.223 1.00 0.00 N ATOM 213 CA VAL A 77 -4.241 19.259 -5.285 1.00 0.00 C ATOM 214 C VAL A 77 -3.545 20.289 -4.401 1.00 0.00 C ATOM 215 O VAL A 77 -3.942 20.535 -3.262 1.00 0.00 O ATOM 216 CB VAL A 77 -5.715 19.141 -4.853 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.393 20.501 -4.891 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.450 18.145 -5.738 1.00 0.00 C ATOM 0 H VAL A 77 -3.664 17.484 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.200 19.588 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.747 18.775 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.433 20.398 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.880 21.183 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.353 20.899 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.490 18.073 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.410 18.481 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.977 17.166 -5.655 1.00 0.00 H new ATOM 228 N PRO A 78 -2.482 20.906 -4.937 1.00 0.00 N ATOM 229 CA PRO A 78 -1.708 21.920 -4.214 1.00 0.00 C ATOM 230 C PRO A 78 -2.488 23.217 -4.023 1.00 0.00 C ATOM 231 O PRO A 78 -3.638 23.329 -4.447 1.00 0.00 O ATOM 232 CB PRO A 78 -0.497 22.154 -5.119 1.00 0.00 C ATOM 233 CG PRO A 78 -0.964 21.779 -6.483 1.00 0.00 C ATOM 234 CD PRO A 78 -1.953 20.662 -6.289 1.00 0.00 C ATOM 0 HA PRO A 78 -1.448 21.593 -3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.172 23.194 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.352 21.544 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.428 22.629 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.130 21.458 -7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.742 20.689 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.475 19.685 -6.363 1.00 0.00 H new ATOM 424 N LEU B 550 -6.456 14.456 8.634 1.00 0.00 N ATOM 425 CA LEU B 550 -7.375 14.251 7.520 1.00 0.00 C ATOM 426 C LEU B 550 -8.720 13.727 8.013 1.00 0.00 C ATOM 427 O LEU B 550 -9.743 13.896 7.351 1.00 0.00 O ATOM 428 CB LEU B 550 -6.773 13.273 6.509 1.00 0.00 C ATOM 429 CG LEU B 550 -5.267 13.394 6.274 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.827 12.472 5.147 1.00 0.00 C ATOM 431 CD2 LEU B 550 -4.889 14.835 5.963 1.00 0.00 C ATOM 0 HA LEU B 550 -7.537 15.213 7.033 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -6.988 12.258 6.843 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.282 13.409 5.555 1.00 0.00 H new ATOM 0 HG LEU B 550 -4.752 13.093 7.186 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.752 12.572 4.994 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -5.062 11.440 5.408 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -5.351 12.743 4.230 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -3.814 14.902 5.799 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -5.414 15.163 5.066 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.168 15.473 6.801 1.00 0.00 H new ATOM 443 N ALA B 551 -8.709 13.091 9.180 1.00 0.00 N ATOM 444 CA ALA B 551 -9.929 12.546 9.763 1.00 0.00 C ATOM 445 C ALA B 551 -11.029 13.600 9.821 1.00 0.00 C ATOM 446 O ALA B 551 -12.154 13.361 9.383 1.00 0.00 O ATOM 447 CB ALA B 551 -9.648 11.997 11.154 1.00 0.00 C ATOM 0 H ALA B 551 -7.870 12.941 9.740 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.275 11.733 9.125 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.567 11.593 11.578 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.900 11.207 11.089 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.275 12.798 11.793 1.00 0.00 H new ATOM 453 N SER B 552 -10.696 14.767 10.364 1.00 0.00 N ATOM 454 CA SER B 552 -11.658 15.856 10.483 1.00 0.00 C ATOM 455 C SER B 552 -11.537 16.819 9.305 1.00 0.00 C ATOM 456 O SER B 552 -11.638 18.034 9.470 1.00 0.00 O ATOM 457 CB SER B 552 -11.446 16.611 11.797 1.00 0.00 C ATOM 458 OG SER B 552 -12.661 17.170 12.265 1.00 0.00 O ATOM 0 H SER B 552 -9.768 14.982 10.728 1.00 0.00 H new ATOM 0 HA SER B 552 -12.659 15.425 10.477 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.041 15.933 12.548 1.00 0.00 H new ATOM 0 HB3 SER B 552 -10.710 17.402 11.651 1.00 0.00 H new ATOM 0 HG SER B 552 -12.499 17.646 13.106 1.00 0.00 H new ATOM 464 N ALA B 553 -11.319 16.265 8.117 1.00 0.00 N ATOM 465 CA ALA B 553 -11.185 17.073 6.911 1.00 0.00 C ATOM 466 C ALA B 553 -11.858 16.398 5.721 1.00 0.00 C ATOM 467 O ALA B 553 -12.107 15.192 5.719 1.00 0.00 O ATOM 468 CB ALA B 553 -9.717 17.335 6.611 1.00 0.00 C ATOM 0 H ALA B 553 -11.231 15.260 7.964 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.684 18.026 7.085 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.632 17.939 5.708 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.264 17.867 7.447 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.201 16.386 6.462 1.00 0.00 H new ATOM 474 N PRO B 554 -12.161 17.192 4.683 1.00 0.00 N ATOM 475 CA PRO B 554 -12.810 16.691 3.467 1.00 0.00 C ATOM 476 C PRO B 554 -11.887 15.800 2.642 1.00 0.00 C ATOM 477 O PRO B 554 -10.680 15.731 2.876 1.00 0.00 O ATOM 478 CB PRO B 554 -13.150 17.969 2.695 1.00 0.00 C ATOM 479 CG PRO B 554 -12.162 18.976 3.175 1.00 0.00 C ATOM 480 CD PRO B 554 -11.894 18.638 4.616 1.00 0.00 C ATOM 0 HA PRO B 554 -13.676 16.070 3.694 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.068 17.815 1.619 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.172 18.291 2.894 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.245 18.934 2.587 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.557 19.987 3.078 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -10.867 18.870 4.899 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.544 19.198 5.288 1.00 0.00 H new ATOM 488 N PRO B 555 -12.466 15.102 1.654 1.00 0.00 N ATOM 489 CA PRO B 555 -11.713 14.204 0.774 1.00 0.00 C ATOM 490 C PRO B 555 -10.785 14.961 -0.171 1.00 0.00 C ATOM 491 O PRO B 555 -9.965 14.359 -0.863 1.00 0.00 O ATOM 492 CB PRO B 555 -12.807 13.482 -0.016 1.00 0.00 C ATOM 493 CG PRO B 555 -13.966 14.418 0.000 1.00 0.00 C ATOM 494 CD PRO B 555 -13.899 15.137 1.319 1.00 0.00 C ATOM 0 HA PRO B 555 -11.062 13.535 1.336 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.484 13.269 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -13.063 12.527 0.444 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.911 15.121 -0.831 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.906 13.876 -0.102 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.268 16.159 1.238 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.502 14.640 2.079 1.00 0.00 H new ATOM 502 N GLN B 556 -10.921 16.282 -0.193 1.00 0.00 N ATOM 503 CA GLN B 556 -10.094 17.120 -1.054 1.00 0.00 C ATOM 504 C GLN B 556 -8.903 17.683 -0.285 1.00 0.00 C ATOM 505 O GLN B 556 -7.783 17.710 -0.791 1.00 0.00 O ATOM 506 CB GLN B 556 -10.925 18.264 -1.638 1.00 0.00 C ATOM 507 CG GLN B 556 -11.779 17.850 -2.826 1.00 0.00 C ATOM 508 CD GLN B 556 -10.985 17.768 -4.115 1.00 0.00 C ATOM 509 OE1 GLN B 556 -10.110 16.915 -4.265 1.00 0.00 O ATOM 510 NE2 GLN B 556 -11.288 18.656 -5.054 1.00 0.00 N ATOM 0 H GLN B 556 -11.595 16.796 0.375 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.718 16.500 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.572 18.667 -0.859 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.256 19.068 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -12.234 16.881 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.593 18.564 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -12.021 19.345 -4.887 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -10.788 18.649 -5.943 1.00 0.00 H new ATOM 519 N GLU B 557 -9.155 18.131 0.941 1.00 0.00 N ATOM 520 CA GLU B 557 -8.103 18.694 1.779 1.00 0.00 C ATOM 521 C GLU B 557 -7.075 17.630 2.150 1.00 0.00 C ATOM 522 O GLU B 557 -5.933 17.946 2.482 1.00 0.00 O ATOM 523 CB GLU B 557 -8.703 19.303 3.049 1.00 0.00 C ATOM 524 CG GLU B 557 -9.351 20.659 2.825 1.00 0.00 C ATOM 525 CD GLU B 557 -9.985 21.217 4.085 1.00 0.00 C ATOM 526 OE1 GLU B 557 -9.324 21.191 5.144 1.00 0.00 O ATOM 527 OE2 GLU B 557 -11.143 21.680 4.010 1.00 0.00 O ATOM 0 H GLU B 557 -10.078 18.115 1.376 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.601 19.477 1.210 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.446 18.617 3.455 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -7.919 19.404 3.799 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -8.601 21.360 2.459 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.111 20.571 2.049 1.00 0.00 H new ATOM 534 N GLN B 558 -7.489 16.368 2.090 1.00 0.00 N ATOM 535 CA GLN B 558 -6.605 15.257 2.420 1.00 0.00 C ATOM 536 C GLN B 558 -5.322 15.319 1.597 1.00 0.00 C ATOM 537 O GLN B 558 -4.252 15.634 2.118 1.00 0.00 O ATOM 538 CB GLN B 558 -7.315 13.924 2.181 1.00 0.00 C ATOM 539 CG GLN B 558 -8.557 13.734 3.036 1.00 0.00 C ATOM 540 CD GLN B 558 -8.592 12.383 3.724 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.971 11.424 3.264 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.319 12.301 4.832 1.00 0.00 N ATOM 0 H GLN B 558 -8.431 16.090 1.816 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.342 15.336 3.475 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.594 13.854 1.130 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.618 13.110 2.381 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.599 14.522 3.788 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.444 13.842 2.411 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.817 13.121 5.177 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.379 11.418 5.338 1.00 0.00 H new ATOM 551 N LYS B 559 -5.437 15.016 0.309 1.00 0.00 N ATOM 552 CA LYS B 559 -4.288 15.038 -0.589 1.00 0.00 C ATOM 553 C LYS B 559 -3.575 16.384 -0.527 1.00 0.00 C ATOM 554 O LYS B 559 -2.361 16.462 -0.714 1.00 0.00 O ATOM 555 CB LYS B 559 -4.731 14.749 -2.025 1.00 0.00 C ATOM 556 CG LYS B 559 -5.846 15.657 -2.512 1.00 0.00 C ATOM 557 CD LYS B 559 -6.553 15.072 -3.723 1.00 0.00 C ATOM 558 CE LYS B 559 -5.647 15.055 -4.944 1.00 0.00 C ATOM 559 NZ LYS B 559 -5.105 13.695 -5.214 1.00 0.00 N ATOM 0 H LYS B 559 -6.315 14.752 -0.137 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.592 14.263 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.873 14.853 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.062 13.713 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.566 15.813 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.436 16.634 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -6.882 14.057 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -7.447 15.656 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -6.204 15.403 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -4.822 15.751 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -4.137 13.775 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -5.093 13.145 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -5.706 13.214 -5.913 1.00 0.00 H new ATOM 573 N GLN B 560 -4.336 17.441 -0.261 1.00 0.00 N ATOM 574 CA GLN B 560 -3.775 18.784 -0.174 1.00 0.00 C ATOM 575 C GLN B 560 -2.803 18.893 0.996 1.00 0.00 C ATOM 576 O GLN B 560 -1.599 19.054 0.802 1.00 0.00 O ATOM 577 CB GLN B 560 -4.893 19.817 -0.021 1.00 0.00 C ATOM 578 CG GLN B 560 -4.405 21.255 -0.087 1.00 0.00 C ATOM 579 CD GLN B 560 -4.054 21.815 1.278 1.00 0.00 C ATOM 580 OE1 GLN B 560 -4.626 21.414 2.292 1.00 0.00 O ATOM 581 NE2 GLN B 560 -3.108 22.747 1.310 1.00 0.00 N ATOM 0 H GLN B 560 -5.342 17.393 -0.102 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.229 18.983 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.634 19.657 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -5.397 19.656 0.932 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -3.529 21.308 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -5.176 21.876 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -2.660 23.049 0.445 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -2.829 23.160 2.200 1.00 0.00 H new ATOM 590 N MET B 561 -3.335 18.804 2.211 1.00 0.00 N ATOM 591 CA MET B 561 -2.513 18.892 3.412 1.00 0.00 C ATOM 592 C MET B 561 -1.429 17.818 3.410 1.00 0.00 C ATOM 593 O MET B 561 -0.244 18.117 3.565 1.00 0.00 O ATOM 594 CB MET B 561 -3.383 18.751 4.663 1.00 0.00 C ATOM 595 CG MET B 561 -4.542 19.733 4.710 1.00 0.00 C ATOM 596 SD MET B 561 -5.665 19.417 6.085 1.00 0.00 S ATOM 597 CE MET B 561 -6.352 17.834 5.603 1.00 0.00 C ATOM 0 H MET B 561 -4.330 18.671 2.389 1.00 0.00 H new ATOM 0 HA MET B 561 -2.031 19.870 3.421 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.776 17.735 4.710 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.761 18.893 5.546 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.151 20.747 4.791 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.097 19.679 3.773 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.415 17.184 6.476 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.349 17.981 5.188 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.711 17.372 4.852 1.00 0.00 H new ATOM 607 N LEU B 562 -1.842 16.568 3.233 1.00 0.00 N ATOM 608 CA LEU B 562 -0.906 15.449 3.210 1.00 0.00 C ATOM 609 C LEU B 562 0.217 15.699 2.208 1.00 0.00 C ATOM 610 O LEU B 562 1.391 15.741 2.573 1.00 0.00 O ATOM 611 CB LEU B 562 -1.638 14.153 2.860 1.00 0.00 C ATOM 612 CG LEU B 562 -0.798 12.876 2.896 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.653 11.685 3.299 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.141 12.631 1.546 1.00 0.00 C ATOM 0 H LEU B 562 -2.819 16.304 3.103 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.467 15.354 4.203 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.474 14.034 3.550 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.062 14.257 1.861 1.00 0.00 H new ATOM 0 HG LEU B 562 -0.013 13.002 3.642 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -1.038 10.786 3.319 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -2.075 11.858 4.289 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.460 11.556 2.578 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.453 11.718 1.591 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.910 12.527 0.781 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.506 13.473 1.298 1.00 0.00 H new ATOM 626 N GLY B 563 -0.154 15.866 0.942 1.00 0.00 N ATOM 627 CA GLY B 563 0.833 16.112 -0.094 1.00 0.00 C ATOM 628 C GLY B 563 1.708 17.311 0.212 1.00 0.00 C ATOM 629 O GLY B 563 2.930 17.243 0.088 1.00 0.00 O ATOM 0 H GLY B 563 -1.120 15.835 0.615 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.461 15.228 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.325 16.270 -1.045 1.00 0.00 H new ATOM 633 N GLU B 564 1.080 18.413 0.611 1.00 0.00 N ATOM 634 CA GLU B 564 1.811 19.634 0.932 1.00 0.00 C ATOM 635 C GLU B 564 2.908 19.357 1.956 1.00 0.00 C ATOM 636 O GLU B 564 4.054 19.772 1.781 1.00 0.00 O ATOM 637 CB GLU B 564 0.854 20.701 1.469 1.00 0.00 C ATOM 638 CG GLU B 564 0.280 21.602 0.389 1.00 0.00 C ATOM 639 CD GLU B 564 1.030 22.914 0.265 1.00 0.00 C ATOM 640 OE1 GLU B 564 1.385 23.495 1.313 1.00 0.00 O ATOM 641 OE2 GLU B 564 1.262 23.360 -0.877 1.00 0.00 O ATOM 0 H GLU B 564 0.068 18.485 0.720 1.00 0.00 H new ATOM 0 HA GLU B 564 2.276 20.001 0.017 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.035 20.211 1.995 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.380 21.314 2.200 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.308 21.080 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.768 21.806 0.610 1.00 0.00 H new ATOM 648 N ARG B 565 2.548 18.655 3.026 1.00 0.00 N ATOM 649 CA ARG B 565 3.501 18.325 4.079 1.00 0.00 C ATOM 650 C ARG B 565 4.501 17.278 3.598 1.00 0.00 C ATOM 651 O ARG B 565 5.632 17.215 4.083 1.00 0.00 O ATOM 652 CB ARG B 565 2.765 17.811 5.318 1.00 0.00 C ATOM 653 CG ARG B 565 3.633 17.766 6.565 1.00 0.00 C ATOM 654 CD ARG B 565 3.508 19.046 7.377 1.00 0.00 C ATOM 655 NE ARG B 565 4.482 19.101 8.465 1.00 0.00 N ATOM 656 CZ ARG B 565 5.775 19.341 8.282 1.00 0.00 C ATOM 657 NH1 ARG B 565 6.248 19.548 7.060 1.00 0.00 N ATOM 658 NH2 ARG B 565 6.598 19.376 9.322 1.00 0.00 N ATOM 0 H ARG B 565 1.604 18.304 3.186 1.00 0.00 H new ATOM 0 HA ARG B 565 4.047 19.232 4.338 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.902 18.449 5.509 1.00 0.00 H new ATOM 0 HB3 ARG B 565 2.383 16.811 5.115 1.00 0.00 H new ATOM 0 HG2 ARG B 565 3.344 16.914 7.180 1.00 0.00 H new ATOM 0 HG3 ARG B 565 4.674 17.615 6.280 1.00 0.00 H new ATOM 0 HD2 ARG B 565 3.647 19.906 6.722 1.00 0.00 H new ATOM 0 HD3 ARG B 565 2.501 19.118 7.788 1.00 0.00 H new ATOM 0 HE ARG B 565 4.150 18.947 9.417 1.00 0.00 H new ATOM 0 HH11 ARG B 565 5.618 19.523 6.258 1.00 0.00 H new ATOM 0 HH12 ARG B 565 7.242 19.732 6.922 1.00 0.00 H new ATOM 0 HH21 ARG B 565 6.238 19.218 10.263 1.00 0.00 H new ATOM 0 HH22 ARG B 565 7.591 19.560 9.180 1.00 0.00 H new ATOM 672 N LEU B 566 4.079 16.458 2.642 1.00 0.00 N ATOM 673 CA LEU B 566 4.937 15.413 2.095 1.00 0.00 C ATOM 674 C LEU B 566 5.981 16.004 1.152 1.00 0.00 C ATOM 675 O LEU B 566 7.047 15.423 0.946 1.00 0.00 O ATOM 676 CB LEU B 566 4.097 14.371 1.355 1.00 0.00 C ATOM 677 CG LEU B 566 4.017 12.989 2.005 1.00 0.00 C ATOM 678 CD1 LEU B 566 3.098 13.021 3.216 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.540 11.953 0.998 1.00 0.00 C ATOM 0 H LEU B 566 3.147 16.497 2.229 1.00 0.00 H new ATOM 0 HA LEU B 566 5.454 14.931 2.924 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.084 14.759 1.248 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.502 14.255 0.350 1.00 0.00 H new ATOM 0 HG LEU B 566 5.015 12.708 2.340 1.00 0.00 H new ATOM 0 HD11 LEU B 566 3.054 12.029 3.665 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.483 13.733 3.946 1.00 0.00 H new ATOM 0 HD13 LEU B 566 2.098 13.324 2.906 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.489 10.976 1.478 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.551 12.230 0.632 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.238 11.911 0.162 1.00 0.00 H new ATOM 691 N PHE B 567 5.669 17.164 0.584 1.00 0.00 N ATOM 692 CA PHE B 567 6.580 17.835 -0.335 1.00 0.00 C ATOM 693 C PHE B 567 7.983 17.927 0.259 1.00 0.00 C ATOM 694 O PHE B 567 8.957 17.429 -0.305 1.00 0.00 O ATOM 695 CB PHE B 567 6.063 19.236 -0.669 1.00 0.00 C ATOM 696 CG PHE B 567 5.953 19.499 -2.143 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.952 19.085 -3.010 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.852 20.161 -2.662 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.854 19.326 -4.368 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.749 20.404 -4.019 1.00 0.00 C ATOM 701 CZ PHE B 567 5.751 19.987 -4.873 1.00 0.00 C ATOM 0 H PHE B 567 4.792 17.659 0.744 1.00 0.00 H new ATOM 0 HA PHE B 567 6.630 17.246 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE B 567 5.084 19.372 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.729 19.976 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.817 18.568 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE B 567 4.066 20.491 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.639 18.998 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.885 20.920 -4.411 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.672 20.177 -5.933 1.00 0.00 H new ATOM 711 N PRO B 568 8.089 18.579 1.426 1.00 0.00 N ATOM 712 CA PRO B 568 9.367 18.752 2.123 1.00 0.00 C ATOM 713 C PRO B 568 9.897 17.442 2.695 1.00 0.00 C ATOM 714 O PRO B 568 11.101 17.183 2.668 1.00 0.00 O ATOM 715 CB PRO B 568 9.026 19.730 3.251 1.00 0.00 C ATOM 716 CG PRO B 568 7.569 19.537 3.492 1.00 0.00 C ATOM 717 CD PRO B 568 6.969 19.198 2.155 1.00 0.00 C ATOM 0 HA PRO B 568 10.151 19.108 1.455 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.607 19.518 4.148 1.00 0.00 H new ATOM 0 HB3 PRO B 568 9.247 20.758 2.964 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.395 18.737 4.212 1.00 0.00 H new ATOM 0 HG3 PRO B 568 7.119 20.440 3.904 1.00 0.00 H new ATOM 0 HD2 PRO B 568 6.127 18.513 2.254 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.599 20.087 1.644 1.00 0.00 H new ATOM 725 N LEU B 569 8.992 16.619 3.213 1.00 0.00 N ATOM 726 CA LEU B 569 9.368 15.335 3.793 1.00 0.00 C ATOM 727 C LEU B 569 10.234 14.534 2.825 1.00 0.00 C ATOM 728 O LEU B 569 11.233 13.933 3.222 1.00 0.00 O ATOM 729 CB LEU B 569 8.119 14.532 4.160 1.00 0.00 C ATOM 730 CG LEU B 569 8.300 13.465 5.239 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.230 12.365 4.752 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.833 14.088 6.521 1.00 0.00 C ATOM 0 H LEU B 569 7.992 16.818 3.243 1.00 0.00 H new ATOM 0 HA LEU B 569 9.946 15.528 4.697 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.348 15.228 4.491 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.745 14.048 3.258 1.00 0.00 H new ATOM 0 HG LEU B 569 7.327 13.022 5.451 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.347 11.615 5.534 1.00 0.00 H new ATOM 0 HD12 LEU B 569 8.808 11.899 3.862 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.203 12.792 4.511 1.00 0.00 H new ATOM 0 HD21 LEU B 569 8.956 13.314 7.278 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.796 14.559 6.324 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.129 14.839 6.881 1.00 0.00 H new ATOM 744 N ILE B 570 9.847 14.533 1.554 1.00 0.00 N ATOM 745 CA ILE B 570 10.589 13.809 0.530 1.00 0.00 C ATOM 746 C ILE B 570 11.866 14.551 0.150 1.00 0.00 C ATOM 747 O ILE B 570 12.885 13.934 -0.160 1.00 0.00 O ATOM 748 CB ILE B 570 9.739 13.593 -0.736 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.629 12.575 -0.463 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.615 13.133 -1.891 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.387 12.797 -1.297 1.00 0.00 C ATOM 0 H ILE B 570 9.023 15.026 1.209 1.00 0.00 H new ATOM 0 HA ILE B 570 10.847 12.838 0.954 1.00 0.00 H new ATOM 0 HB ILE B 570 9.277 14.541 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE B 570 9.011 11.572 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.360 12.617 0.593 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.999 12.985 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.372 13.889 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE B 570 11.102 12.194 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.643 12.039 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.980 13.786 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.641 12.726 -2.355 1.00 0.00 H new ATOM 763 N GLN B 571 11.804 15.879 0.178 1.00 0.00 N ATOM 764 CA GLN B 571 12.956 16.705 -0.163 1.00 0.00 C ATOM 765 C GLN B 571 14.147 16.372 0.730 1.00 0.00 C ATOM 766 O GLN B 571 15.291 16.674 0.392 1.00 0.00 O ATOM 767 CB GLN B 571 12.604 18.187 -0.032 1.00 0.00 C ATOM 768 CG GLN B 571 11.638 18.680 -1.099 1.00 0.00 C ATOM 769 CD GLN B 571 10.970 19.987 -0.722 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.461 20.725 0.133 1.00 0.00 O ATOM 771 NE2 GLN B 571 9.843 20.282 -1.360 1.00 0.00 N ATOM 0 H GLN B 571 10.968 16.405 0.433 1.00 0.00 H new ATOM 0 HA GLN B 571 13.230 16.494 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.167 18.363 0.951 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.520 18.775 -0.083 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.175 18.809 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.874 17.922 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN B 571 9.471 19.642 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN B 571 9.349 21.149 -1.148 1.00 0.00 H new ATOM 780 N ALA B 572 13.869 15.750 1.871 1.00 0.00 N ATOM 781 CA ALA B 572 14.918 15.375 2.811 1.00 0.00 C ATOM 782 C ALA B 572 16.010 14.565 2.122 1.00 0.00 C ATOM 783 O ALA B 572 17.164 14.570 2.550 1.00 0.00 O ATOM 784 CB ALA B 572 14.329 14.589 3.973 1.00 0.00 C ATOM 0 H ALA B 572 12.927 15.495 2.167 1.00 0.00 H new ATOM 0 HA ALA B 572 15.369 16.289 3.196 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.124 14.315 4.667 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.591 15.202 4.490 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.850 13.686 3.596 1.00 0.00 H new ATOM 790 N MET B 573 15.639 13.870 1.052 1.00 0.00 N ATOM 791 CA MET B 573 16.588 13.055 0.303 1.00 0.00 C ATOM 792 C MET B 573 16.544 13.397 -1.183 1.00 0.00 C ATOM 793 O MET B 573 17.582 13.491 -1.839 1.00 0.00 O ATOM 794 CB MET B 573 16.288 11.568 0.505 1.00 0.00 C ATOM 795 CG MET B 573 14.807 11.263 0.659 1.00 0.00 C ATOM 796 SD MET B 573 14.321 11.030 2.380 1.00 0.00 S ATOM 797 CE MET B 573 12.607 11.549 2.321 1.00 0.00 C ATOM 0 H MET B 573 14.688 13.855 0.684 1.00 0.00 H new ATOM 0 HA MET B 573 17.588 13.270 0.678 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.680 11.008 -0.344 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.817 11.216 1.390 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.225 12.078 0.228 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.564 10.364 0.092 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.176 11.496 3.321 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.550 12.574 1.955 1.00 0.00 H new ATOM 0 HE3 MET B 573 12.051 10.893 1.651 1.00 0.00 H new ATOM 807 N HIS B 574 15.337 13.580 -1.708 1.00 0.00 N ATOM 808 CA HIS B 574 15.159 13.912 -3.117 1.00 0.00 C ATOM 809 C HIS B 574 14.462 15.261 -3.274 1.00 0.00 C ATOM 810 O HIS B 574 13.283 15.342 -3.620 1.00 0.00 O ATOM 811 CB HIS B 574 14.349 12.823 -3.821 1.00 0.00 C ATOM 812 CG HIS B 574 15.149 11.598 -4.146 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.329 10.560 -3.257 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.816 11.249 -5.271 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.074 9.625 -3.820 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.382 10.019 -5.043 1.00 0.00 N ATOM 0 H HIS B 574 14.468 13.504 -1.179 1.00 0.00 H new ATOM 0 HA HIS B 574 16.145 13.976 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.508 12.540 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.932 13.230 -4.742 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.889 11.830 -6.179 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.379 8.697 -3.359 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.948 9.494 -5.710 1.00 0.00 H new ATOM 824 N PRO B 575 15.207 16.346 -3.014 1.00 0.00 N ATOM 825 CA PRO B 575 14.682 17.710 -3.119 1.00 0.00 C ATOM 826 C PRO B 575 14.416 18.119 -4.564 1.00 0.00 C ATOM 827 O PRO B 575 13.849 19.181 -4.826 1.00 0.00 O ATOM 828 CB PRO B 575 15.798 18.567 -2.518 1.00 0.00 C ATOM 829 CG PRO B 575 17.038 17.764 -2.709 1.00 0.00 C ATOM 830 CD PRO B 575 16.619 16.324 -2.597 1.00 0.00 C ATOM 0 HA PRO B 575 13.723 17.818 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.870 19.532 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.616 18.770 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.488 17.965 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.785 18.013 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.218 15.680 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.732 15.951 -1.579 1.00 0.00 H new ATOM 838 N THR B 576 14.828 17.270 -5.500 1.00 0.00 N ATOM 839 CA THR B 576 14.634 17.543 -6.918 1.00 0.00 C ATOM 840 C THR B 576 13.363 16.881 -7.437 1.00 0.00 C ATOM 841 O THR B 576 12.508 17.537 -8.034 1.00 0.00 O ATOM 842 CB THR B 576 15.832 17.054 -7.753 1.00 0.00 C ATOM 843 OG1 THR B 576 16.290 15.790 -7.259 1.00 0.00 O ATOM 844 CG2 THR B 576 16.970 18.062 -7.710 1.00 0.00 C ATOM 0 H THR B 576 15.298 16.387 -5.301 1.00 0.00 H new ATOM 0 HA THR B 576 14.545 18.624 -7.022 1.00 0.00 H new ATOM 0 HB THR B 576 15.504 16.944 -8.787 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.051 15.485 -7.796 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.805 17.694 -8.307 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.627 19.015 -8.113 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.295 18.200 -6.679 1.00 0.00 H new ATOM 852 N LEU B 577 13.244 15.578 -7.207 1.00 0.00 N ATOM 853 CA LEU B 577 12.075 14.827 -7.651 1.00 0.00 C ATOM 854 C LEU B 577 11.014 14.772 -6.556 1.00 0.00 C ATOM 855 O LEU B 577 10.126 13.921 -6.581 1.00 0.00 O ATOM 856 CB LEU B 577 12.480 13.408 -8.055 1.00 0.00 C ATOM 857 CG LEU B 577 13.421 13.295 -9.255 1.00 0.00 C ATOM 858 CD1 LEU B 577 12.942 14.180 -10.395 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.843 13.661 -8.855 1.00 0.00 C ATOM 0 H LEU B 577 13.942 15.020 -6.716 1.00 0.00 H new ATOM 0 HA LEU B 577 11.652 15.339 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU B 577 12.956 12.930 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.575 12.842 -8.274 1.00 0.00 H new ATOM 0 HG LEU B 577 13.416 12.261 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.624 14.086 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU B 577 11.942 13.871 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.916 15.218 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.498 13.575 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.864 14.686 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.186 12.985 -8.072 1.00 0.00 H new ATOM 871 N ALA B 578 11.113 15.688 -5.598 1.00 0.00 N ATOM 872 CA ALA B 578 10.160 15.747 -4.497 1.00 0.00 C ATOM 873 C ALA B 578 8.728 15.838 -5.015 1.00 0.00 C ATOM 874 O ALA B 578 7.836 15.144 -4.528 1.00 0.00 O ATOM 875 CB ALA B 578 10.472 16.929 -3.591 1.00 0.00 C ATOM 0 H ALA B 578 11.843 16.399 -5.562 1.00 0.00 H new ATOM 0 HA ALA B 578 10.252 14.827 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.752 16.961 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.478 16.821 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.410 17.854 -4.165 1.00 0.00 H new ATOM 881 N GLY B 579 8.515 16.699 -6.005 1.00 0.00 N ATOM 882 CA GLY B 579 7.190 16.866 -6.571 1.00 0.00 C ATOM 883 C GLY B 579 6.651 15.583 -7.172 1.00 0.00 C ATOM 884 O GLY B 579 5.530 15.170 -6.872 1.00 0.00 O ATOM 0 H GLY B 579 9.237 17.284 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.508 17.215 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.221 17.639 -7.339 1.00 0.00 H new ATOM 888 N LYS B 580 7.449 14.949 -8.025 1.00 0.00 N ATOM 889 CA LYS B 580 7.047 13.706 -8.671 1.00 0.00 C ATOM 890 C LYS B 580 6.828 12.603 -7.639 1.00 0.00 C ATOM 891 O LYS B 580 5.845 11.864 -7.707 1.00 0.00 O ATOM 892 CB LYS B 580 8.107 13.267 -9.684 1.00 0.00 C ATOM 893 CG LYS B 580 8.187 14.165 -10.906 1.00 0.00 C ATOM 894 CD LYS B 580 9.039 13.543 -12.000 1.00 0.00 C ATOM 895 CE LYS B 580 8.422 13.752 -13.374 1.00 0.00 C ATOM 896 NZ LYS B 580 8.151 15.191 -13.647 1.00 0.00 N ATOM 0 H LYS B 580 8.379 15.277 -8.285 1.00 0.00 H new ATOM 0 HA LYS B 580 6.107 13.885 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.080 13.247 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.891 12.248 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS B 580 7.183 14.352 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS B 580 8.605 15.131 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS B 580 10.037 13.980 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS B 580 9.154 12.476 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS B 580 9.093 13.358 -14.137 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.492 13.188 -13.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 8.008 15.330 -14.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 7.296 15.487 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 8.960 15.763 -13.330 1.00 0.00 H new ATOM 910 N ILE B 581 7.747 12.500 -6.686 1.00 0.00 N ATOM 911 CA ILE B 581 7.652 11.489 -5.640 1.00 0.00 C ATOM 912 C ILE B 581 6.359 11.640 -4.846 1.00 0.00 C ATOM 913 O ILE B 581 5.526 10.733 -4.815 1.00 0.00 O ATOM 914 CB ILE B 581 8.848 11.566 -4.672 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.154 11.281 -5.417 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.663 10.587 -3.523 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.360 11.953 -4.799 1.00 0.00 C ATOM 0 H ILE B 581 8.566 13.104 -6.616 1.00 0.00 H new ATOM 0 HA ILE B 581 7.659 10.519 -6.137 1.00 0.00 H new ATOM 0 HB ILE B 581 8.899 12.574 -4.260 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.321 10.204 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.053 11.612 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.516 10.653 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.750 10.832 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.590 9.573 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.250 11.707 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.214 13.033 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.486 11.603 -3.774 1.00 0.00 H new ATOM 929 N THR B 582 6.196 12.794 -4.205 1.00 0.00 N ATOM 930 CA THR B 582 5.004 13.065 -3.411 1.00 0.00 C ATOM 931 C THR B 582 3.738 12.884 -4.241 1.00 0.00 C ATOM 932 O THR B 582 2.704 12.456 -3.729 1.00 0.00 O ATOM 933 CB THR B 582 5.027 14.492 -2.834 1.00 0.00 C ATOM 934 OG1 THR B 582 4.010 14.633 -1.835 1.00 0.00 O ATOM 935 CG2 THR B 582 4.813 15.524 -3.931 1.00 0.00 C ATOM 0 H THR B 582 6.875 13.555 -4.221 1.00 0.00 H new ATOM 0 HA THR B 582 5.001 12.349 -2.589 1.00 0.00 H new ATOM 0 HB THR B 582 6.005 14.662 -2.384 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.032 15.543 -1.472 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.833 16.524 -3.498 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.605 15.434 -4.675 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.847 15.354 -4.407 1.00 0.00 H new ATOM 943 N GLY B 583 3.826 13.214 -5.526 1.00 0.00 N ATOM 944 CA GLY B 583 2.680 13.081 -6.406 1.00 0.00 C ATOM 945 C GLY B 583 2.199 11.648 -6.519 1.00 0.00 C ATOM 946 O GLY B 583 1.054 11.342 -6.189 1.00 0.00 O ATOM 0 H GLY B 583 4.670 13.571 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.867 13.706 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.942 13.452 -7.397 1.00 0.00 H new ATOM 950 N MET B 584 3.077 10.767 -6.989 1.00 0.00 N ATOM 951 CA MET B 584 2.735 9.358 -7.146 1.00 0.00 C ATOM 952 C MET B 584 2.389 8.729 -5.800 1.00 0.00 C ATOM 953 O MET B 584 1.397 8.010 -5.675 1.00 0.00 O ATOM 954 CB MET B 584 3.894 8.598 -7.794 1.00 0.00 C ATOM 955 CG MET B 584 4.349 9.196 -9.115 1.00 0.00 C ATOM 956 SD MET B 584 5.926 8.525 -9.675 1.00 0.00 S ATOM 957 CE MET B 584 7.043 9.237 -8.469 1.00 0.00 C ATOM 0 H MET B 584 4.029 11.004 -7.267 1.00 0.00 H new ATOM 0 HA MET B 584 1.860 9.293 -7.793 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.737 8.580 -7.103 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.593 7.563 -7.957 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.589 9.010 -9.874 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.436 10.277 -9.009 1.00 0.00 H new ATOM 0 HE1 MET B 584 8.027 8.779 -8.569 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.124 10.311 -8.637 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.659 9.055 -7.465 1.00 0.00 H new ATOM 967 N LEU B 585 3.213 9.004 -4.795 1.00 0.00 N ATOM 968 CA LEU B 585 2.995 8.465 -3.457 1.00 0.00 C ATOM 969 C LEU B 585 1.649 8.920 -2.900 1.00 0.00 C ATOM 970 O LEU B 585 1.028 8.218 -2.100 1.00 0.00 O ATOM 971 CB LEU B 585 4.122 8.903 -2.519 1.00 0.00 C ATOM 972 CG LEU B 585 5.347 7.989 -2.470 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.809 7.641 -3.877 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.472 8.648 -1.685 1.00 0.00 C ATOM 0 H LEU B 585 4.038 9.597 -4.881 1.00 0.00 H new ATOM 0 HA LEU B 585 2.991 7.377 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.449 9.900 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.716 8.988 -1.511 1.00 0.00 H new ATOM 0 HG LEU B 585 5.069 7.066 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.682 6.990 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.006 7.129 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.071 8.555 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.336 7.984 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.749 9.586 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.137 8.846 -0.667 1.00 0.00 H new ATOM 986 N LEU B 586 1.204 10.095 -3.328 1.00 0.00 N ATOM 987 CA LEU B 586 -0.070 10.643 -2.874 1.00 0.00 C ATOM 988 C LEU B 586 -1.232 10.033 -3.651 1.00 0.00 C ATOM 989 O LEU B 586 -2.376 10.062 -3.199 1.00 0.00 O ATOM 990 CB LEU B 586 -0.079 12.164 -3.032 1.00 0.00 C ATOM 991 CG LEU B 586 -1.375 12.872 -2.637 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.084 14.276 -2.131 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.338 12.918 -3.815 1.00 0.00 C ATOM 0 H LEU B 586 1.706 10.688 -3.989 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.190 10.393 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.734 12.576 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.139 12.402 -4.073 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.843 12.307 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.019 14.764 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.432 14.221 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.593 14.851 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.255 13.425 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.877 13.459 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.573 11.902 -4.133 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.930 9.479 -4.821 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.950 8.861 -5.659 1.00 0.00 C ATOM 1007 C GLU B 587 -2.326 7.480 -5.129 1.00 0.00 C ATOM 1008 O GLU B 587 -3.492 7.213 -4.836 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.456 8.748 -7.103 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.576 8.721 -8.129 1.00 0.00 C ATOM 1011 CD GLU B 587 -3.180 7.340 -8.298 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -2.560 6.501 -8.984 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.273 7.099 -7.744 1.00 0.00 O ATOM 0 H GLU B 587 0.012 9.446 -5.210 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.837 9.495 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.797 9.589 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.860 7.841 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.356 9.420 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.192 9.066 -9.089 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.332 6.607 -5.010 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.557 5.255 -4.515 1.00 0.00 C ATOM 1022 C ILE B 588 -2.659 5.232 -3.461 1.00 0.00 C ATOM 1023 O ILE B 588 -3.700 4.604 -3.650 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.274 4.654 -3.913 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.668 5.767 -3.450 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.417 3.756 -4.929 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.646 5.326 -2.384 1.00 0.00 C ATOM 0 H ILE B 588 -0.362 6.812 -5.250 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.863 4.653 -5.371 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.545 4.050 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.224 6.142 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.075 6.598 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.323 3.338 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.254 2.946 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.678 4.339 -5.812 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.282 6.166 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.098 4.978 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.264 4.516 -2.770 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.422 5.923 -2.351 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.396 5.985 -1.267 1.00 0.00 C ATOM 1041 C ASP B 589 -2.829 6.743 -0.071 1.00 0.00 C ATOM 1042 O ASP B 589 -1.888 6.286 0.577 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.809 4.575 -0.843 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.307 4.358 -0.937 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.029 4.795 -0.016 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.757 3.753 -1.932 1.00 0.00 O ATOM 0 H ASP B 589 -1.565 6.448 -2.178 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.274 6.519 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.299 3.845 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.482 4.396 0.181 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.408 7.905 0.216 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.959 8.728 1.333 1.00 0.00 C ATOM 1053 C ASN B 590 -2.916 7.915 2.624 1.00 0.00 C ATOM 1054 O ASN B 590 -1.949 7.985 3.382 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.882 9.935 1.507 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.604 11.027 0.491 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.463 11.228 0.077 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.650 11.737 0.086 1.00 0.00 N ATOM 0 H ASN B 590 -4.189 8.298 -0.310 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.951 9.079 1.112 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.919 9.612 1.415 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.762 10.339 2.512 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.525 12.485 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.578 11.535 0.457 1.00 0.00 H new ATOM 1065 N SER B 591 -3.972 7.145 2.867 1.00 0.00 N ATOM 1066 CA SER B 591 -4.057 6.322 4.067 1.00 0.00 C ATOM 1067 C SER B 591 -2.798 5.479 4.238 1.00 0.00 C ATOM 1068 O SER B 591 -2.246 5.384 5.334 1.00 0.00 O ATOM 1069 CB SER B 591 -5.287 5.414 4.003 1.00 0.00 C ATOM 1070 OG SER B 591 -5.762 5.105 5.302 1.00 0.00 O ATOM 0 H SER B 591 -4.780 7.074 2.249 1.00 0.00 H new ATOM 0 HA SER B 591 -4.149 6.986 4.927 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.075 5.904 3.431 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.036 4.494 3.476 1.00 0.00 H new ATOM 0 HG SER B 591 -6.549 4.525 5.233 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.349 4.868 3.146 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.155 4.031 3.175 1.00 0.00 C ATOM 1078 C GLU B 592 0.066 4.841 3.603 1.00 0.00 C ATOM 1079 O GLU B 592 0.922 4.351 4.341 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.910 3.406 1.800 1.00 0.00 C ATOM 1081 CG GLU B 592 0.155 2.322 1.806 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.343 1.018 2.399 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.545 0.718 2.248 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.471 0.298 3.015 1.00 0.00 O ATOM 0 H GLU B 592 -2.794 4.937 2.231 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.316 3.236 3.903 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.844 2.984 1.430 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.616 4.189 1.101 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.495 2.146 0.785 1.00 0.00 H new ATOM 0 HG3 GLU B 592 1.018 2.669 2.374 1.00 0.00 H new ATOM 1091 N LEU B 593 0.139 6.081 3.134 1.00 0.00 N ATOM 1092 CA LEU B 593 1.255 6.960 3.467 1.00 0.00 C ATOM 1093 C LEU B 593 1.262 7.292 4.955 1.00 0.00 C ATOM 1094 O LEU B 593 2.321 7.388 5.577 1.00 0.00 O ATOM 1095 CB LEU B 593 1.179 8.248 2.645 1.00 0.00 C ATOM 1096 CG LEU B 593 0.609 8.110 1.233 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.696 9.435 0.491 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.342 7.019 0.466 1.00 0.00 C ATOM 0 H LEU B 593 -0.561 6.501 2.522 1.00 0.00 H new ATOM 0 HA LEU B 593 2.181 6.437 3.226 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.571 8.969 3.192 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.182 8.668 2.571 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.441 7.828 1.312 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.286 9.318 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.126 10.192 1.030 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.738 9.746 0.423 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.923 6.935 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.400 7.271 0.397 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.229 6.069 0.988 1.00 0.00 H new ATOM 1110 N LEU B 594 0.073 7.466 5.522 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.060 7.785 6.940 1.00 0.00 C ATOM 1112 C LEU B 594 0.454 6.639 7.806 1.00 0.00 C ATOM 1113 O LEU B 594 0.690 6.810 9.003 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.520 8.083 7.281 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.991 9.516 7.026 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.486 9.639 7.272 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.221 10.493 7.902 1.00 0.00 C ATOM 0 H LEU B 594 -0.813 7.392 5.022 1.00 0.00 H new ATOM 0 HA LEU B 594 0.542 8.670 7.147 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.152 7.407 6.705 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.681 7.851 8.334 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.795 9.763 5.982 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.802 10.665 7.086 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.022 8.967 6.602 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.708 9.373 8.306 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.569 11.508 7.708 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.385 10.248 8.951 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.157 10.424 7.675 1.00 0.00 H new ATOM 1129 N HIS B 595 0.625 5.472 7.194 1.00 0.00 N ATOM 1130 CA HIS B 595 1.114 4.298 7.909 1.00 0.00 C ATOM 1131 C HIS B 595 2.525 3.934 7.457 1.00 0.00 C ATOM 1132 O HIS B 595 3.239 3.208 8.146 1.00 0.00 O ATOM 1133 CB HIS B 595 0.173 3.113 7.689 1.00 0.00 C ATOM 1134 CG HIS B 595 0.115 2.170 8.851 1.00 0.00 C ATOM 1135 ND1 HIS B 595 0.928 1.061 8.962 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.663 2.176 9.958 1.00 0.00 C ATOM 1137 CE1 HIS B 595 0.650 0.425 10.086 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.312 1.082 10.709 1.00 0.00 N ATOM 0 H HIS B 595 0.432 5.314 6.205 1.00 0.00 H new ATOM 0 HA HIS B 595 1.143 4.537 8.972 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.830 3.489 7.486 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.493 2.565 6.803 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.420 2.906 10.205 1.00 0.00 H new ATOM 0 HE1 HIS B 595 1.128 -0.478 10.436 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -0.727 0.819 11.603 1.00 0.00 H new ATOM 1146 N MET B 596 2.918 4.444 6.294 1.00 0.00 N ATOM 1147 CA MET B 596 4.244 4.173 5.751 1.00 0.00 C ATOM 1148 C MET B 596 5.245 5.229 6.208 1.00 0.00 C ATOM 1149 O MET B 596 6.421 4.932 6.422 1.00 0.00 O ATOM 1150 CB MET B 596 4.193 4.129 4.222 1.00 0.00 C ATOM 1151 CG MET B 596 3.613 2.836 3.671 1.00 0.00 C ATOM 1152 SD MET B 596 3.798 2.700 1.882 1.00 0.00 S ATOM 1153 CE MET B 596 3.333 4.351 1.367 1.00 0.00 C ATOM 0 H MET B 596 2.338 5.046 5.710 1.00 0.00 H new ATOM 0 HA MET B 596 4.571 3.203 6.125 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.597 4.968 3.862 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.201 4.262 3.829 1.00 0.00 H new ATOM 0 HG2 MET B 596 4.105 1.989 4.149 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.556 2.778 3.929 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.207 4.373 0.284 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.395 4.631 1.847 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.113 5.055 1.656 1.00 0.00 H new ATOM 1163 N LEU B 597 4.772 6.462 6.354 1.00 0.00 N ATOM 1164 CA LEU B 597 5.627 7.562 6.786 1.00 0.00 C ATOM 1165 C LEU B 597 6.124 7.340 8.210 1.00 0.00 C ATOM 1166 O LEU B 597 7.026 8.034 8.678 1.00 0.00 O ATOM 1167 CB LEU B 597 4.868 8.887 6.699 1.00 0.00 C ATOM 1168 CG LEU B 597 4.077 9.291 7.945 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.248 8.121 8.452 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.016 9.793 9.032 1.00 0.00 C ATOM 0 H LEU B 597 3.802 6.725 6.180 1.00 0.00 H new ATOM 0 HA LEU B 597 6.491 7.600 6.122 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.583 9.678 6.475 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.178 8.833 5.857 1.00 0.00 H new ATOM 0 HG LEU B 597 3.399 10.101 7.676 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.692 8.426 9.338 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.550 7.806 7.676 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.907 7.291 8.705 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.437 10.076 9.911 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.718 9.003 9.299 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.566 10.660 8.666 1.00 0.00 H new ATOM 1182 N GLU B 598 5.530 6.367 8.894 1.00 0.00 N ATOM 1183 CA GLU B 598 5.914 6.053 10.265 1.00 0.00 C ATOM 1184 C GLU B 598 6.950 4.933 10.297 1.00 0.00 C ATOM 1185 O GLU B 598 7.003 4.148 11.244 1.00 0.00 O ATOM 1186 CB GLU B 598 4.685 5.649 11.083 1.00 0.00 C ATOM 1187 CG GLU B 598 4.077 4.324 10.654 1.00 0.00 C ATOM 1188 CD GLU B 598 3.825 3.393 11.823 1.00 0.00 C ATOM 1189 OE1 GLU B 598 3.642 3.893 12.953 1.00 0.00 O ATOM 1190 OE2 GLU B 598 3.810 2.162 11.608 1.00 0.00 O ATOM 0 H GLU B 598 4.781 5.783 8.521 1.00 0.00 H new ATOM 0 HA GLU B 598 6.357 6.947 10.705 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.963 5.588 12.135 1.00 0.00 H new ATOM 0 HB3 GLU B 598 3.930 6.430 10.998 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.137 4.511 10.134 1.00 0.00 H new ATOM 0 HG3 GLU B 598 4.743 3.836 9.943 1.00 0.00 H new ATOM 1197 N SER B 599 7.772 4.865 9.254 1.00 0.00 N ATOM 1198 CA SER B 599 8.804 3.839 9.159 1.00 0.00 C ATOM 1199 C SER B 599 9.857 4.222 8.124 1.00 0.00 C ATOM 1200 O SER B 599 9.554 4.779 7.069 1.00 0.00 O ATOM 1201 CB SER B 599 8.180 2.491 8.794 1.00 0.00 C ATOM 1202 OG SER B 599 8.783 1.436 9.524 1.00 0.00 O ATOM 0 H SER B 599 7.743 5.508 8.463 1.00 0.00 H new ATOM 0 HA SER B 599 9.289 3.755 10.131 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.110 2.514 8.999 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.296 2.311 7.725 1.00 0.00 H new ATOM 0 HG SER B 599 8.366 0.585 9.274 1.00 0.00 H new ATOM 1208 N PRO B 600 11.126 3.917 8.433 1.00 0.00 N ATOM 1209 CA PRO B 600 12.252 4.219 7.543 1.00 0.00 C ATOM 1210 C PRO B 600 12.246 3.355 6.287 1.00 0.00 C ATOM 1211 O PRO B 600 12.374 3.862 5.173 1.00 0.00 O ATOM 1212 CB PRO B 600 13.478 3.905 8.403 1.00 0.00 C ATOM 1213 CG PRO B 600 12.997 2.905 9.398 1.00 0.00 C ATOM 1214 CD PRO B 600 11.561 3.253 9.673 1.00 0.00 C ATOM 0 HA PRO B 600 12.221 5.246 7.181 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.292 3.503 7.800 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.857 4.801 8.894 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.085 1.892 9.007 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.590 2.947 10.311 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.966 2.364 9.883 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.466 3.912 10.536 1.00 0.00 H new ATOM 1222 N GLU B 601 12.096 2.047 6.475 1.00 0.00 N ATOM 1223 CA GLU B 601 12.074 1.113 5.355 1.00 0.00 C ATOM 1224 C GLU B 601 10.924 1.431 4.404 1.00 0.00 C ATOM 1225 O GLU B 601 10.947 1.046 3.235 1.00 0.00 O ATOM 1226 CB GLU B 601 11.947 -0.324 5.864 1.00 0.00 C ATOM 1227 CG GLU B 601 10.840 -0.512 6.888 1.00 0.00 C ATOM 1228 CD GLU B 601 10.405 -1.959 7.017 1.00 0.00 C ATOM 1229 OE1 GLU B 601 9.646 -2.430 6.144 1.00 0.00 O ATOM 1230 OE2 GLU B 601 10.823 -2.620 7.990 1.00 0.00 O ATOM 0 H GLU B 601 11.988 1.611 7.391 1.00 0.00 H new ATOM 0 HA GLU B 601 13.012 1.216 4.810 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.763 -0.985 5.017 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.895 -0.629 6.307 1.00 0.00 H new ATOM 0 HG2 GLU B 601 11.182 -0.151 7.858 1.00 0.00 H new ATOM 0 HG3 GLU B 601 9.982 0.098 6.606 1.00 0.00 H new ATOM 1237 N SER B 602 9.918 2.135 4.915 1.00 0.00 N ATOM 1238 CA SER B 602 8.757 2.501 4.113 1.00 0.00 C ATOM 1239 C SER B 602 9.013 3.793 3.343 1.00 0.00 C ATOM 1240 O SER B 602 8.902 3.831 2.117 1.00 0.00 O ATOM 1241 CB SER B 602 7.525 2.661 5.006 1.00 0.00 C ATOM 1242 OG SER B 602 6.885 1.415 5.221 1.00 0.00 O ATOM 0 H SER B 602 9.884 2.463 5.880 1.00 0.00 H new ATOM 0 HA SER B 602 8.575 1.701 3.395 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.819 3.092 5.963 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.825 3.358 4.544 1.00 0.00 H new ATOM 0 HG SER B 602 6.102 1.544 5.796 1.00 0.00 H new ATOM 1248 N LEU B 603 9.357 4.849 4.071 1.00 0.00 N ATOM 1249 CA LEU B 603 9.630 6.145 3.459 1.00 0.00 C ATOM 1250 C LEU B 603 10.702 6.022 2.380 1.00 0.00 C ATOM 1251 O LEU B 603 10.494 6.425 1.236 1.00 0.00 O ATOM 1252 CB LEU B 603 10.073 7.151 4.522 1.00 0.00 C ATOM 1253 CG LEU B 603 10.831 8.377 4.012 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.955 9.195 3.077 1.00 0.00 C ATOM 1255 CD2 LEU B 603 11.313 9.229 5.177 1.00 0.00 C ATOM 0 H LEU B 603 9.454 4.834 5.086 1.00 0.00 H new ATOM 0 HA LEU B 603 8.711 6.500 2.994 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.189 7.493 5.060 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.705 6.632 5.243 1.00 0.00 H new ATOM 0 HG LEU B 603 11.702 8.035 3.453 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.511 10.063 2.724 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.660 8.582 2.225 1.00 0.00 H new ATOM 0 HD13 LEU B 603 9.064 9.527 3.610 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.850 10.097 4.795 1.00 0.00 H new ATOM 0 HD22 LEU B 603 10.456 9.562 5.763 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.978 8.640 5.808 1.00 0.00 H new ATOM 1267 N ARG B 604 11.848 5.462 2.753 1.00 0.00 N ATOM 1268 CA ARG B 604 12.952 5.285 1.818 1.00 0.00 C ATOM 1269 C ARG B 604 12.516 4.458 0.612 1.00 0.00 C ATOM 1270 O ARG B 604 12.816 4.802 -0.531 1.00 0.00 O ATOM 1271 CB ARG B 604 14.134 4.608 2.513 1.00 0.00 C ATOM 1272 CG ARG B 604 15.398 4.572 1.669 1.00 0.00 C ATOM 1273 CD ARG B 604 16.282 3.391 2.041 1.00 0.00 C ATOM 1274 NE ARG B 604 15.878 2.167 1.354 1.00 0.00 N ATOM 1275 CZ ARG B 604 16.367 0.967 1.644 1.00 0.00 C ATOM 1276 NH1 ARG B 604 17.272 0.830 2.603 1.00 0.00 N ATOM 1277 NH2 ARG B 604 15.949 -0.100 0.975 1.00 0.00 N ATOM 0 H ARG B 604 12.036 5.123 3.696 1.00 0.00 H new ATOM 0 HA ARG B 604 13.260 6.270 1.469 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.345 5.132 3.445 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.854 3.588 2.776 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.131 4.510 0.614 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.953 5.500 1.803 1.00 0.00 H new ATOM 0 HD2 ARG B 604 17.318 3.621 1.792 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.241 3.232 3.119 1.00 0.00 H new ATOM 0 HE ARG B 604 15.183 2.238 0.611 1.00 0.00 H new ATOM 0 HH11 ARG B 604 17.595 1.648 3.120 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.646 -0.093 2.823 1.00 0.00 H new ATOM 0 HH21 ARG B 604 15.252 0.001 0.238 1.00 0.00 H new ATOM 0 HH22 ARG B 604 16.325 -1.022 1.198 1.00 0.00 H new ATOM 1291 N SER B 605 11.806 3.366 0.876 1.00 0.00 N ATOM 1292 CA SER B 605 11.332 2.487 -0.187 1.00 0.00 C ATOM 1293 C SER B 605 10.508 3.265 -1.209 1.00 0.00 C ATOM 1294 O SER B 605 10.802 3.247 -2.404 1.00 0.00 O ATOM 1295 CB SER B 605 10.494 1.349 0.399 1.00 0.00 C ATOM 1296 OG SER B 605 9.633 0.793 -0.579 1.00 0.00 O ATOM 0 H SER B 605 11.546 3.069 1.816 1.00 0.00 H new ATOM 0 HA SER B 605 12.202 2.066 -0.691 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.152 0.574 0.792 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.905 1.721 1.237 1.00 0.00 H new ATOM 0 HG SER B 605 9.110 0.067 -0.179 1.00 0.00 H new ATOM 1302 N LYS B 606 9.475 3.949 -0.729 1.00 0.00 N ATOM 1303 CA LYS B 606 8.608 4.736 -1.598 1.00 0.00 C ATOM 1304 C LYS B 606 9.418 5.743 -2.408 1.00 0.00 C ATOM 1305 O LYS B 606 9.403 5.721 -3.639 1.00 0.00 O ATOM 1306 CB LYS B 606 7.549 5.467 -0.769 1.00 0.00 C ATOM 1307 CG LYS B 606 6.578 4.535 -0.065 1.00 0.00 C ATOM 1308 CD LYS B 606 5.897 3.595 -1.045 1.00 0.00 C ATOM 1309 CE LYS B 606 5.136 4.362 -2.116 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.475 3.449 -3.089 1.00 0.00 N ATOM 0 H LYS B 606 9.218 3.974 0.258 1.00 0.00 H new ATOM 0 HA LYS B 606 8.113 4.054 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.047 6.088 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.989 6.137 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.111 3.954 0.687 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.825 5.122 0.460 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.643 2.955 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.210 2.942 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.385 4.995 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.822 5.022 -2.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.024 4.010 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.185 2.816 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.753 2.883 -2.599 1.00 0.00 H new ATOM 1324 N VAL B 607 10.127 6.624 -1.709 1.00 0.00 N ATOM 1325 CA VAL B 607 10.946 7.638 -2.364 1.00 0.00 C ATOM 1326 C VAL B 607 11.855 7.014 -3.417 1.00 0.00 C ATOM 1327 O VAL B 607 11.874 7.446 -4.570 1.00 0.00 O ATOM 1328 CB VAL B 607 11.811 8.404 -1.345 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.684 9.431 -2.051 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.933 9.070 -0.296 1.00 0.00 C ATOM 0 H VAL B 607 10.151 6.656 -0.690 1.00 0.00 H new ATOM 0 HA VAL B 607 10.261 8.335 -2.846 1.00 0.00 H new ATOM 0 HB VAL B 607 12.464 7.692 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.288 9.962 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.339 8.926 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.052 10.142 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.560 9.607 0.416 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.254 9.771 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.355 8.310 0.230 1.00 0.00 H new ATOM 1340 N ASP B 608 12.606 5.995 -3.014 1.00 0.00 N ATOM 1341 CA ASP B 608 13.517 5.310 -3.924 1.00 0.00 C ATOM 1342 C ASP B 608 12.770 4.784 -5.146 1.00 0.00 C ATOM 1343 O ASP B 608 13.109 5.116 -6.281 1.00 0.00 O ATOM 1344 CB ASP B 608 14.218 4.157 -3.204 1.00 0.00 C ATOM 1345 CG ASP B 608 15.011 3.279 -4.153 1.00 0.00 C ATOM 1346 OD1 ASP B 608 15.890 3.813 -4.861 1.00 0.00 O ATOM 1347 OD2 ASP B 608 14.753 2.058 -4.186 1.00 0.00 O ATOM 0 H ASP B 608 12.602 5.625 -2.063 1.00 0.00 H new ATOM 0 HA ASP B 608 14.266 6.028 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.886 4.560 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.475 3.550 -2.687 1.00 0.00 H new ATOM 1352 N GLU B 609 11.755 3.962 -4.904 1.00 0.00 N ATOM 1353 CA GLU B 609 10.962 3.389 -5.986 1.00 0.00 C ATOM 1354 C GLU B 609 10.466 4.478 -6.933 1.00 0.00 C ATOM 1355 O GLU B 609 10.679 4.408 -8.143 1.00 0.00 O ATOM 1356 CB GLU B 609 9.773 2.610 -5.420 1.00 0.00 C ATOM 1357 CG GLU B 609 10.159 1.282 -4.791 1.00 0.00 C ATOM 1358 CD GLU B 609 10.995 0.419 -5.716 1.00 0.00 C ATOM 1359 OE1 GLU B 609 10.749 0.452 -6.940 1.00 0.00 O ATOM 1360 OE2 GLU B 609 11.895 -0.288 -5.217 1.00 0.00 O ATOM 0 H GLU B 609 11.462 3.678 -3.969 1.00 0.00 H new ATOM 0 HA GLU B 609 11.600 2.706 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.270 3.224 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.055 2.429 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU B 609 10.715 1.468 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU B 609 9.255 0.740 -4.513 1.00 0.00 H new ATOM 1367 N ALA B 610 9.803 5.484 -6.372 1.00 0.00 N ATOM 1368 CA ALA B 610 9.278 6.589 -7.165 1.00 0.00 C ATOM 1369 C ALA B 610 10.351 7.165 -8.083 1.00 0.00 C ATOM 1370 O ALA B 610 10.202 7.166 -9.305 1.00 0.00 O ATOM 1371 CB ALA B 610 8.722 7.674 -6.255 1.00 0.00 C ATOM 0 H ALA B 610 9.617 5.557 -5.372 1.00 0.00 H new ATOM 0 HA ALA B 610 8.471 6.204 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.333 8.493 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.919 7.261 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.515 8.047 -5.607 1.00 0.00 H new ATOM 1377 N VAL B 611 11.434 7.655 -7.486 1.00 0.00 N ATOM 1378 CA VAL B 611 12.532 8.233 -8.250 1.00 0.00 C ATOM 1379 C VAL B 611 12.980 7.295 -9.365 1.00 0.00 C ATOM 1380 O VAL B 611 13.301 7.734 -10.468 1.00 0.00 O ATOM 1381 CB VAL B 611 13.738 8.551 -7.346 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.873 9.153 -8.161 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.327 9.487 -6.219 1.00 0.00 C ATOM 0 H VAL B 611 11.573 7.663 -6.476 1.00 0.00 H new ATOM 0 HA VAL B 611 12.160 9.160 -8.687 1.00 0.00 H new ATOM 0 HB VAL B 611 14.093 7.620 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.716 9.371 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.184 8.445 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.533 10.075 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.191 9.701 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.945 10.417 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.550 9.014 -5.619 1.00 0.00 H new ATOM 1393 N ALA B 612 12.999 5.999 -9.068 1.00 0.00 N ATOM 1394 CA ALA B 612 13.406 4.998 -10.046 1.00 0.00 C ATOM 1395 C ALA B 612 12.460 4.984 -11.243 1.00 0.00 C ATOM 1396 O ALA B 612 12.896 4.886 -12.390 1.00 0.00 O ATOM 1397 CB ALA B 612 13.462 3.622 -9.400 1.00 0.00 C ATOM 0 H ALA B 612 12.737 5.619 -8.158 1.00 0.00 H new ATOM 0 HA ALA B 612 14.401 5.260 -10.405 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.767 2.884 -10.142 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.182 3.633 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.477 3.361 -9.013 1.00 0.00 H new ATOM 1403 N VAL B 613 11.163 5.082 -10.968 1.00 0.00 N ATOM 1404 CA VAL B 613 10.156 5.081 -12.022 1.00 0.00 C ATOM 1405 C VAL B 613 10.319 6.288 -12.939 1.00 0.00 C ATOM 1406 O VAL B 613 10.207 6.173 -14.160 1.00 0.00 O ATOM 1407 CB VAL B 613 8.731 5.083 -11.437 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.702 5.282 -12.539 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.467 3.793 -10.676 1.00 0.00 C ATOM 0 H VAL B 613 10.785 5.163 -10.024 1.00 0.00 H new ATOM 0 HA VAL B 613 10.303 4.168 -12.599 1.00 0.00 H new ATOM 0 HB VAL B 613 8.644 5.915 -10.738 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.701 5.281 -12.107 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.881 6.235 -13.036 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.785 4.473 -13.265 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.456 3.811 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.571 2.944 -11.352 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.184 3.698 -9.861 1.00 0.00 H new ATOM 1419 N LEU B 614 10.586 7.445 -12.343 1.00 0.00 N ATOM 1420 CA LEU B 614 10.765 8.675 -13.106 1.00 0.00 C ATOM 1421 C LEU B 614 11.772 8.474 -14.234 1.00 0.00 C ATOM 1422 O LEU B 614 11.673 9.105 -15.286 1.00 0.00 O ATOM 1423 CB LEU B 614 11.231 9.805 -12.187 1.00 0.00 C ATOM 1424 CG LEU B 614 10.433 9.992 -10.896 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.820 11.295 -10.213 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.939 9.962 -11.183 1.00 0.00 C ATOM 0 H LEU B 614 10.683 7.557 -11.334 1.00 0.00 H new ATOM 0 HA LEU B 614 9.804 8.944 -13.545 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.273 9.626 -11.924 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.200 10.739 -12.748 1.00 0.00 H new ATOM 0 HG LEU B 614 10.670 9.168 -10.223 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.242 11.411 -9.296 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.883 11.278 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.613 12.131 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.387 10.097 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.685 10.765 -11.875 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.673 9.003 -11.627 1.00 0.00 H new ATOM 1438 N GLN B 615 12.739 7.591 -14.007 1.00 0.00 N ATOM 1439 CA GLN B 615 13.763 7.306 -15.005 1.00 0.00 C ATOM 1440 C GLN B 615 13.132 6.947 -16.346 1.00 0.00 C ATOM 1441 O GLN B 615 13.705 7.209 -17.403 1.00 0.00 O ATOM 1442 CB GLN B 615 14.664 6.165 -14.530 1.00 0.00 C ATOM 1443 CG GLN B 615 15.825 5.875 -15.469 1.00 0.00 C ATOM 1444 CD GLN B 615 16.710 4.749 -14.972 1.00 0.00 C ATOM 1445 OE1 GLN B 615 16.263 3.611 -14.826 1.00 0.00 O ATOM 1446 NE2 GLN B 615 17.974 5.061 -14.710 1.00 0.00 N ATOM 0 H GLN B 615 12.835 7.061 -13.141 1.00 0.00 H new ATOM 0 HA GLN B 615 14.366 8.205 -15.137 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.058 6.411 -13.544 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.064 5.262 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN B 615 15.435 5.618 -16.454 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.425 6.777 -15.589 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.302 6.017 -14.845 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.617 4.344 -14.373 1.00 0.00 H new