USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 789 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 66 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -3.23! C(o=-3.2!,f=-7.6!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0649 X(o=-0.065,f=-0.24) USER MOD Single : A 81 HIS : no HD1:sc= 0.0488 K(o=0.049,f=-1) USER MOD Single : B 542 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : B 546 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : B 548 SER OG : rot 180:sc= 0 USER MOD Single : B 549 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 552 SER OG : rot 65:sc= 0.474 USER MOD Single : B 556 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 558 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.6!) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.4) USER MOD Single : B 561 MET CE :methyl -120:sc= -2.39 (180deg=-4.33!) USER MOD Single : B 571 GLN : amide:sc= -2.05 K(o=-2.1,f=-3.9!) USER MOD Single : B 573 MET CE :methyl -149:sc= -7.69! (180deg=-12!) USER MOD Single : B 574 HIS : no HD1:sc= -3.99! C(o=-4!,f=-5!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -2.32! USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 180:sc= -0.806 USER MOD Single : B 584 MET CE :methyl 167:sc= -7.21! (180deg=-7.91!) USER MOD Single : B 590 ASN : amide:sc= -2.66 K(o=-2.7,f=-7.7!) 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 174:sc= -1.64 (180deg=-1.7) USER MOD Single : B 599 SER OG : rot 180:sc= 0 USER MOD Single : B 602 SER OG : rot 180:sc= -0.586 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ -166:sc= -0.586 (180deg=-0.956) USER MOD Single : B 615 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 617 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-1.6!) USER MOD Single : B 618 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 64 -0.552 -0.081 -0.449 1.00 0.00 N ATOM 2 CA ALA A 64 0.375 0.272 -1.517 1.00 0.00 C ATOM 3 C ALA A 64 1.046 -0.970 -2.094 1.00 0.00 C ATOM 4 O ALA A 64 0.753 -2.093 -1.684 1.00 0.00 O ATOM 5 CB ALA A 64 1.422 1.251 -1.006 1.00 0.00 C ATOM 0 HA ALA A 64 -0.194 0.750 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.107 1.506 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.930 2.156 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.979 0.794 -0.188 1.00 0.00 H new ATOM 11 N PHE A 65 1.948 -0.760 -3.047 1.00 0.00 N ATOM 12 CA PHE A 65 2.660 -1.863 -3.682 1.00 0.00 C ATOM 13 C PHE A 65 4.146 -1.544 -3.819 1.00 0.00 C ATOM 14 O PHE A 65 4.527 -0.591 -4.498 1.00 0.00 O ATOM 15 CB PHE A 65 2.061 -2.159 -5.059 1.00 0.00 C ATOM 16 CG PHE A 65 1.801 -0.927 -5.877 1.00 0.00 C ATOM 17 CD1 PHE A 65 0.613 -0.227 -5.740 1.00 0.00 C ATOM 18 CD2 PHE A 65 2.744 -0.469 -6.784 1.00 0.00 C ATOM 19 CE1 PHE A 65 0.371 0.908 -6.491 1.00 0.00 C ATOM 20 CE2 PHE A 65 2.507 0.665 -7.537 1.00 0.00 C ATOM 21 CZ PHE A 65 1.318 1.354 -7.392 1.00 0.00 C ATOM 0 H PHE A 65 2.203 0.164 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 65 2.552 -2.744 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.738 -2.814 -5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.126 -2.704 -4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.132 -0.572 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.674 -1.005 -6.903 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.558 1.446 -6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.251 1.013 -8.239 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.130 2.239 -7.982 1.00 0.00 H new ATOM 31 N SER A 66 4.980 -2.349 -3.168 1.00 0.00 N ATOM 32 CA SER A 66 6.424 -2.151 -3.212 1.00 0.00 C ATOM 33 C SER A 66 7.002 -2.662 -4.529 1.00 0.00 C ATOM 34 O SER A 66 7.832 -3.571 -4.543 1.00 0.00 O ATOM 35 CB SER A 66 7.094 -2.865 -2.037 1.00 0.00 C ATOM 36 OG SER A 66 6.488 -4.122 -1.791 1.00 0.00 O ATOM 0 H SER A 66 4.680 -3.144 -2.604 1.00 0.00 H new ATOM 0 HA SER A 66 6.622 -1.082 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.154 -3.004 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.026 -2.244 -1.144 1.00 0.00 H new ATOM 0 HG SER A 66 6.936 -4.559 -1.036 1.00 0.00 H new ATOM 42 N ARG A 67 6.557 -2.070 -5.632 1.00 0.00 N ATOM 43 CA ARG A 67 7.028 -2.465 -6.954 1.00 0.00 C ATOM 44 C ARG A 67 6.899 -1.311 -7.944 1.00 0.00 C ATOM 45 O ARG A 67 6.516 -0.203 -7.573 1.00 0.00 O ATOM 46 CB ARG A 67 6.240 -3.675 -7.459 1.00 0.00 C ATOM 47 CG ARG A 67 6.609 -4.976 -6.765 1.00 0.00 C ATOM 48 CD ARG A 67 5.979 -6.175 -7.456 1.00 0.00 C ATOM 49 NE ARG A 67 6.013 -7.370 -6.618 1.00 0.00 N ATOM 50 CZ ARG A 67 5.138 -7.613 -5.648 1.00 0.00 C ATOM 51 NH1 ARG A 67 4.166 -6.747 -5.396 1.00 0.00 N ATOM 52 NH2 ARG A 67 5.235 -8.723 -4.928 1.00 0.00 N ATOM 0 H ARG A 67 5.871 -1.315 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 67 8.081 -2.735 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.175 -3.488 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.407 -3.785 -8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.693 -5.089 -6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.282 -4.941 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.946 -5.943 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.505 -6.372 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 67 6.749 -8.056 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.089 -5.892 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.495 -6.936 -4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.982 -9.391 -5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.563 -8.908 -4.184 1.00 0.00 H new ATOM 66 N GLN A 68 7.223 -1.581 -9.205 1.00 0.00 N ATOM 67 CA GLN A 68 7.145 -0.565 -10.248 1.00 0.00 C ATOM 68 C GLN A 68 5.784 0.122 -10.236 1.00 0.00 C ATOM 69 O GLN A 68 4.743 -0.537 -10.244 1.00 0.00 O ATOM 70 CB GLN A 68 7.402 -1.191 -11.619 1.00 0.00 C ATOM 71 CG GLN A 68 7.385 -0.186 -12.760 1.00 0.00 C ATOM 72 CD GLN A 68 7.949 -0.754 -14.047 1.00 0.00 C ATOM 73 OE1 GLN A 68 7.388 -1.684 -14.627 1.00 0.00 O ATOM 74 NE2 GLN A 68 9.065 -0.196 -14.502 1.00 0.00 N ATOM 0 H GLN A 68 7.542 -2.494 -9.529 1.00 0.00 H new ATOM 0 HA GLN A 68 7.912 0.184 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.369 -1.694 -11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.648 -1.955 -11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.361 0.145 -12.932 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.961 0.694 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.497 0.573 -13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.491 -0.536 -15.364 1.00 0.00 H new ATOM 83 N LEU A 69 5.797 1.451 -10.218 1.00 0.00 N ATOM 84 CA LEU A 69 4.563 2.229 -10.206 1.00 0.00 C ATOM 85 C LEU A 69 4.394 3.002 -11.509 1.00 0.00 C ATOM 86 O LEU A 69 5.204 2.877 -12.427 1.00 0.00 O ATOM 87 CB LEU A 69 4.560 3.197 -9.021 1.00 0.00 C ATOM 88 CG LEU A 69 5.813 4.055 -8.852 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.827 5.187 -9.868 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.895 4.607 -7.436 1.00 0.00 C ATOM 0 H LEU A 69 6.649 2.012 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 69 3.727 1.537 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.701 3.860 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.413 2.621 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 69 6.686 3.426 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.727 5.787 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.817 4.772 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.947 5.815 -9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.794 5.215 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.017 5.220 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.933 3.781 -6.725 1.00 0.00 H new ATOM 102 N ASN A 70 3.336 3.803 -11.583 1.00 0.00 N ATOM 103 CA ASN A 70 3.062 4.599 -12.774 1.00 0.00 C ATOM 104 C ASN A 70 3.522 6.041 -12.583 1.00 0.00 C ATOM 105 O ASN A 70 3.270 6.652 -11.545 1.00 0.00 O ATOM 106 CB ASN A 70 1.567 4.568 -13.100 1.00 0.00 C ATOM 107 CG ASN A 70 0.733 5.291 -12.059 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.098 5.348 -10.885 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.393 5.849 -12.488 1.00 0.00 N ATOM 0 H ASN A 70 2.655 3.918 -10.833 1.00 0.00 H new ATOM 0 HA ASN A 70 3.618 4.166 -13.606 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.401 5.025 -14.076 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.235 3.532 -13.172 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.995 6.350 -11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.656 5.776 -13.471 1.00 0.00 H new ATOM 116 N VAL A 71 4.198 6.579 -13.593 1.00 0.00 N ATOM 117 CA VAL A 71 4.692 7.950 -13.538 1.00 0.00 C ATOM 118 C VAL A 71 3.645 8.933 -14.049 1.00 0.00 C ATOM 119 O VAL A 71 3.709 10.128 -13.764 1.00 0.00 O ATOM 120 CB VAL A 71 5.981 8.115 -14.365 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.707 7.864 -15.839 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.576 9.499 -14.152 1.00 0.00 C ATOM 0 H VAL A 71 4.416 6.087 -14.459 1.00 0.00 H new ATOM 0 HA VAL A 71 4.909 8.166 -12.492 1.00 0.00 H new ATOM 0 HB VAL A 71 6.707 7.376 -14.026 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.630 7.985 -16.406 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.330 6.850 -15.971 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.964 8.577 -16.198 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.486 9.599 -14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.856 10.256 -14.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.812 9.635 -13.097 1.00 0.00 H new ATOM 132 N ASN A 72 2.679 8.420 -14.805 1.00 0.00 N ATOM 133 CA ASN A 72 1.617 9.253 -15.357 1.00 0.00 C ATOM 134 C ASN A 72 0.675 9.733 -14.256 1.00 0.00 C ATOM 135 O ASN A 72 -0.056 10.707 -14.432 1.00 0.00 O ATOM 136 CB ASN A 72 0.830 8.478 -16.415 1.00 0.00 C ATOM 137 CG ASN A 72 1.377 8.690 -17.813 1.00 0.00 C ATOM 138 OD1 ASN A 72 0.737 9.323 -18.653 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.568 8.160 -18.069 1.00 0.00 N ATOM 0 H ASN A 72 2.610 7.432 -15.049 1.00 0.00 H new ATOM 0 HA ASN A 72 2.077 10.124 -15.823 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.854 7.415 -16.176 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.215 8.787 -16.386 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.987 8.270 -18.992 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.063 7.643 -17.342 1.00 0.00 H new ATOM 146 N ALA A 73 0.699 9.041 -13.122 1.00 0.00 N ATOM 147 CA ALA A 73 -0.150 9.398 -11.992 1.00 0.00 C ATOM 148 C ALA A 73 -0.005 10.874 -11.641 1.00 0.00 C ATOM 149 O ALA A 73 1.075 11.332 -11.266 1.00 0.00 O ATOM 150 CB ALA A 73 0.184 8.531 -10.786 1.00 0.00 C ATOM 0 H ALA A 73 1.297 8.230 -12.961 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.187 9.220 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.458 8.808 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.022 7.482 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.227 8.681 -10.508 1.00 0.00 H new ATOM 156 N LYS A 74 -1.100 11.617 -11.764 1.00 0.00 N ATOM 157 CA LYS A 74 -1.096 13.043 -11.459 1.00 0.00 C ATOM 158 C LYS A 74 -0.503 13.303 -10.078 1.00 0.00 C ATOM 159 O LYS A 74 -0.504 12.437 -9.203 1.00 0.00 O ATOM 160 CB LYS A 74 -2.518 13.604 -11.529 1.00 0.00 C ATOM 161 CG LYS A 74 -3.531 12.794 -10.738 1.00 0.00 C ATOM 162 CD LYS A 74 -4.444 11.996 -11.653 1.00 0.00 C ATOM 163 CE LYS A 74 -5.384 12.903 -12.433 1.00 0.00 C ATOM 164 NZ LYS A 74 -6.694 12.248 -12.697 1.00 0.00 N ATOM 0 H LYS A 74 -2.002 11.255 -12.073 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.476 13.546 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.514 14.628 -11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.833 13.645 -12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.009 12.116 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.129 13.463 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.842 11.410 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.026 11.289 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.545 13.825 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.919 13.180 -13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.306 12.898 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.543 11.381 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.150 12.006 -11.794 1.00 0.00 H new ATOM 178 N PRO A 75 0.016 14.523 -9.876 1.00 0.00 N ATOM 179 CA PRO A 75 0.621 14.925 -8.603 1.00 0.00 C ATOM 180 C PRO A 75 -0.413 15.073 -7.492 1.00 0.00 C ATOM 181 O PRO A 75 -0.710 14.118 -6.774 1.00 0.00 O ATOM 182 CB PRO A 75 1.258 16.279 -8.924 1.00 0.00 C ATOM 183 CG PRO A 75 0.468 16.806 -10.073 1.00 0.00 C ATOM 184 CD PRO A 75 0.052 15.604 -10.875 1.00 0.00 C ATOM 0 HA PRO A 75 1.329 14.182 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.210 16.952 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.311 16.170 -9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.402 17.363 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.065 17.490 -10.676 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.921 15.751 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.761 15.389 -11.674 1.00 0.00 H new ATOM 192 N PHE A 76 -0.959 16.277 -7.355 1.00 0.00 N ATOM 193 CA PHE A 76 -1.960 16.550 -6.330 1.00 0.00 C ATOM 194 C PHE A 76 -2.552 17.946 -6.506 1.00 0.00 C ATOM 195 O PHE A 76 -2.311 18.612 -7.513 1.00 0.00 O ATOM 196 CB PHE A 76 -1.343 16.419 -4.936 1.00 0.00 C ATOM 197 CG PHE A 76 -0.327 17.481 -4.627 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.890 17.508 -5.289 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.590 18.454 -3.676 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.826 18.484 -5.006 1.00 0.00 C ATOM 201 CE2 PHE A 76 0.343 19.433 -3.389 1.00 0.00 C ATOM 202 CZ PHE A 76 1.552 19.448 -4.056 1.00 0.00 C ATOM 0 H PHE A 76 -0.725 17.079 -7.941 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.761 15.818 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.137 16.460 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.872 15.440 -4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.109 16.758 -6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.535 18.447 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.772 18.493 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.127 20.185 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.282 20.212 -3.835 1.00 0.00 H new ATOM 212 N VAL A 77 -3.330 18.381 -5.520 1.00 0.00 N ATOM 213 CA VAL A 77 -3.957 19.697 -5.565 1.00 0.00 C ATOM 214 C VAL A 77 -3.327 20.641 -4.547 1.00 0.00 C ATOM 215 O VAL A 77 -3.824 20.815 -3.435 1.00 0.00 O ATOM 216 CB VAL A 77 -5.471 19.606 -5.296 1.00 0.00 C ATOM 217 CG1 VAL A 77 -5.742 18.805 -4.032 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.078 20.998 -5.196 1.00 0.00 C ATOM 0 H VAL A 77 -3.541 17.842 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.796 20.090 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.941 19.088 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.817 18.752 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.343 17.797 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.261 19.291 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.148 20.915 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.605 21.543 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.916 21.534 -6.131 1.00 0.00 H new ATOM 228 N PRO A 78 -2.205 21.266 -4.936 1.00 0.00 N ATOM 229 CA PRO A 78 -1.483 22.204 -4.072 1.00 0.00 C ATOM 230 C PRO A 78 -2.250 23.505 -3.858 1.00 0.00 C ATOM 231 O PRO A 78 -3.348 23.682 -4.385 1.00 0.00 O ATOM 232 CB PRO A 78 -0.187 22.469 -4.842 1.00 0.00 C ATOM 233 CG PRO A 78 -0.532 22.205 -6.267 1.00 0.00 C ATOM 234 CD PRO A 78 -1.557 21.105 -6.248 1.00 0.00 C ATOM 0 HA PRO A 78 -1.327 21.799 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.155 23.494 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.616 21.816 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.929 23.101 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.350 21.907 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.272 21.207 -7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.095 20.123 -6.350 1.00 0.00 H new ATOM 242 N ASN A 79 -1.665 24.411 -3.082 1.00 0.00 N ATOM 243 CA ASN A 79 -2.295 25.696 -2.800 1.00 0.00 C ATOM 244 C ASN A 79 -1.499 26.840 -3.419 1.00 0.00 C ATOM 245 O ASN A 79 -1.549 27.975 -2.943 1.00 0.00 O ATOM 246 CB ASN A 79 -2.420 25.905 -1.289 1.00 0.00 C ATOM 247 CG ASN A 79 -3.640 25.216 -0.708 1.00 0.00 C ATOM 248 OD1 ASN A 79 -3.522 24.324 0.131 1.00 0.00 O ATOM 249 ND2 ASN A 79 -4.820 25.629 -1.155 1.00 0.00 N ATOM 0 H ASN A 79 -0.756 24.280 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.291 25.689 -3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.524 25.526 -0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.473 26.973 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.677 25.203 -0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.870 26.372 -1.852 1.00 0.00 H new ATOM 256 N VAL A 80 -0.764 26.535 -4.484 1.00 0.00 N ATOM 257 CA VAL A 80 0.042 27.537 -5.170 1.00 0.00 C ATOM 258 C VAL A 80 -0.697 28.105 -6.376 1.00 0.00 C ATOM 259 O VAL A 80 -1.020 27.380 -7.318 1.00 0.00 O ATOM 260 CB VAL A 80 1.389 26.953 -5.635 1.00 0.00 C ATOM 261 CG1 VAL A 80 2.227 28.022 -6.319 1.00 0.00 C ATOM 262 CG2 VAL A 80 2.139 26.345 -4.460 1.00 0.00 C ATOM 0 H VAL A 80 -0.710 25.601 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 80 0.230 28.336 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 80 1.193 26.162 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.175 27.591 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.690 28.406 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.418 28.837 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.089 25.937 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.326 27.114 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.540 25.548 -4.020 1.00 0.00 H new ATOM 272 N HIS A 81 -0.962 29.407 -6.342 1.00 0.00 N ATOM 273 CA HIS A 81 -1.663 30.074 -7.434 1.00 0.00 C ATOM 274 C HIS A 81 -0.804 31.182 -8.035 1.00 0.00 C ATOM 275 O HIS A 81 -1.322 32.158 -8.576 1.00 0.00 O ATOM 276 CB HIS A 81 -2.989 30.651 -6.940 1.00 0.00 C ATOM 277 CG HIS A 81 -2.829 31.705 -5.889 1.00 0.00 C ATOM 278 ND1 HIS A 81 -2.385 31.434 -4.612 1.00 0.00 N ATOM 279 CD2 HIS A 81 -3.054 33.039 -5.931 1.00 0.00 C ATOM 280 CE1 HIS A 81 -2.346 32.554 -3.914 1.00 0.00 C ATOM 281 NE2 HIS A 81 -2.747 33.544 -4.691 1.00 0.00 N ATOM 0 H HIS A 81 -0.702 30.021 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.864 29.334 -8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.530 31.073 -7.787 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -3.602 29.842 -6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.409 33.602 -6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.038 32.645 -2.883 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.817 34.524 -4.415 1.00 0.00 H new ATOM 289 N ALA A 82 0.512 31.026 -7.933 1.00 0.00 N ATOM 290 CA ALA A 82 1.442 32.013 -8.467 1.00 0.00 C ATOM 291 C ALA A 82 2.600 31.338 -9.195 1.00 0.00 C ATOM 292 O ALA A 82 3.439 30.717 -8.545 1.00 0.00 O ATOM 293 CB ALA A 82 1.966 32.902 -7.349 1.00 0.00 C ATOM 0 H ALA A 82 0.958 30.225 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 82 0.905 32.631 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.660 33.635 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.132 33.419 -6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.482 32.290 -6.609 1.00 0.00 H new TER 299 ALA A 82 ATOM 300 N GLY B 541 11.762 18.594 9.017 1.00 0.00 N ATOM 301 CA GLY B 541 11.101 19.494 9.944 1.00 0.00 C ATOM 302 C GLY B 541 10.474 18.762 11.115 1.00 0.00 C ATOM 303 O GLY B 541 10.131 17.585 11.007 1.00 0.00 O ATOM 0 HA2 GLY B 541 11.823 20.220 10.318 1.00 0.00 H new ATOM 0 HA3 GLY B 541 10.330 20.054 9.415 1.00 0.00 H new ATOM 307 N GLN B 542 10.326 19.461 12.236 1.00 0.00 N ATOM 308 CA GLN B 542 9.739 18.869 13.432 1.00 0.00 C ATOM 309 C GLN B 542 8.252 19.195 13.527 1.00 0.00 C ATOM 310 O GLN B 542 7.804 19.820 14.487 1.00 0.00 O ATOM 311 CB GLN B 542 10.463 19.370 14.683 1.00 0.00 C ATOM 312 CG GLN B 542 10.496 20.885 14.801 1.00 0.00 C ATOM 313 CD GLN B 542 10.606 21.357 16.237 1.00 0.00 C ATOM 314 OE1 GLN B 542 10.391 20.586 17.174 1.00 0.00 O ATOM 315 NE2 GLN B 542 10.942 22.628 16.419 1.00 0.00 N ATOM 0 H GLN B 542 10.604 20.437 12.341 1.00 0.00 H new ATOM 0 HA GLN B 542 9.852 17.787 13.364 1.00 0.00 H new ATOM 0 HB2 GLN B 542 9.975 18.956 15.565 1.00 0.00 H new ATOM 0 HB3 GLN B 542 11.485 18.992 14.677 1.00 0.00 H new ATOM 0 HG2 GLN B 542 11.340 21.272 14.230 1.00 0.00 H new ATOM 0 HG3 GLN B 542 9.592 21.300 14.355 1.00 0.00 H new ATOM 0 HE21 GLN B 542 11.111 23.231 15.614 1.00 0.00 H new ATOM 0 HE22 GLN B 542 11.031 23.002 17.364 1.00 0.00 H new ATOM 324 N GLU B 543 7.492 18.767 12.523 1.00 0.00 N ATOM 325 CA GLU B 543 6.055 19.014 12.494 1.00 0.00 C ATOM 326 C GLU B 543 5.336 17.949 11.672 1.00 0.00 C ATOM 327 O GLU B 543 4.846 18.203 10.571 1.00 0.00 O ATOM 328 CB GLU B 543 5.766 20.401 11.915 1.00 0.00 C ATOM 329 CG GLU B 543 4.335 20.864 12.131 1.00 0.00 C ATOM 330 CD GLU B 543 4.155 21.614 13.437 1.00 0.00 C ATOM 331 OE1 GLU B 543 4.129 20.958 14.499 1.00 0.00 O ATOM 332 OE2 GLU B 543 4.041 22.857 13.396 1.00 0.00 O ATOM 0 H GLU B 543 7.847 18.248 11.720 1.00 0.00 H new ATOM 0 HA GLU B 543 5.684 18.970 13.518 1.00 0.00 H new ATOM 0 HB2 GLU B 543 6.445 21.123 12.368 1.00 0.00 H new ATOM 0 HB3 GLU B 543 5.978 20.391 10.846 1.00 0.00 H new ATOM 0 HG2 GLU B 543 4.036 21.507 11.303 1.00 0.00 H new ATOM 0 HG3 GLU B 543 3.672 19.999 12.119 1.00 0.00 H new ATOM 339 N PRO B 544 5.271 16.725 12.218 1.00 0.00 N ATOM 340 CA PRO B 544 4.614 15.596 11.554 1.00 0.00 C ATOM 341 C PRO B 544 3.099 15.758 11.497 1.00 0.00 C ATOM 342 O PRO B 544 2.524 16.573 12.220 1.00 0.00 O ATOM 343 CB PRO B 544 4.991 14.400 12.432 1.00 0.00 C ATOM 344 CG PRO B 544 5.255 14.985 13.776 1.00 0.00 C ATOM 345 CD PRO B 544 5.833 16.351 13.527 1.00 0.00 C ATOM 0 HA PRO B 544 4.928 15.496 10.515 1.00 0.00 H new ATOM 0 HB2 PRO B 544 4.185 13.667 12.471 1.00 0.00 H new ATOM 0 HB3 PRO B 544 5.870 13.886 12.044 1.00 0.00 H new ATOM 0 HG2 PRO B 544 4.337 15.050 14.360 1.00 0.00 H new ATOM 0 HG3 PRO B 544 5.950 14.365 14.342 1.00 0.00 H new ATOM 0 HD2 PRO B 544 5.544 17.058 14.305 1.00 0.00 H new ATOM 0 HD3 PRO B 544 6.923 16.329 13.505 1.00 0.00 H new ATOM 353 N LEU B 545 2.457 14.978 10.634 1.00 0.00 N ATOM 354 CA LEU B 545 1.007 15.035 10.482 1.00 0.00 C ATOM 355 C LEU B 545 0.323 14.038 11.413 1.00 0.00 C ATOM 356 O LEU B 545 0.984 13.284 12.127 1.00 0.00 O ATOM 357 CB LEU B 545 0.614 14.749 9.032 1.00 0.00 C ATOM 358 CG LEU B 545 0.615 15.951 8.087 1.00 0.00 C ATOM 359 CD1 LEU B 545 0.592 15.490 6.638 1.00 0.00 C ATOM 360 CD2 LEU B 545 -0.570 16.860 8.379 1.00 0.00 C ATOM 0 H LEU B 545 2.918 14.298 10.029 1.00 0.00 H new ATOM 0 HA LEU B 545 0.678 16.039 10.749 1.00 0.00 H new ATOM 0 HB2 LEU B 545 1.296 13.998 8.633 1.00 0.00 H new ATOM 0 HB3 LEU B 545 -0.383 14.309 9.027 1.00 0.00 H new ATOM 0 HG LEU B 545 1.531 16.518 8.252 1.00 0.00 H new ATOM 0 HD11 LEU B 545 0.593 16.359 5.980 1.00 0.00 H new ATOM 0 HD12 LEU B 545 1.473 14.881 6.436 1.00 0.00 H new ATOM 0 HD13 LEU B 545 -0.306 14.900 6.458 1.00 0.00 H new ATOM 0 HD21 LEU B 545 -0.553 17.710 7.697 1.00 0.00 H new ATOM 0 HD22 LEU B 545 -1.497 16.304 8.243 1.00 0.00 H new ATOM 0 HD23 LEU B 545 -0.509 17.218 9.407 1.00 0.00 H new ATOM 372 N THR B 546 -1.006 14.039 11.398 1.00 0.00 N ATOM 373 CA THR B 546 -1.780 13.135 12.239 1.00 0.00 C ATOM 374 C THR B 546 -3.035 12.653 11.519 1.00 0.00 C ATOM 375 O THR B 546 -3.685 13.417 10.807 1.00 0.00 O ATOM 376 CB THR B 546 -2.189 13.809 13.562 1.00 0.00 C ATOM 377 OG1 THR B 546 -1.200 14.770 13.948 1.00 0.00 O ATOM 378 CG2 THR B 546 -2.358 12.777 14.667 1.00 0.00 C ATOM 0 H THR B 546 -1.569 14.656 10.812 1.00 0.00 H new ATOM 0 HA THR B 546 -1.139 12.281 12.458 1.00 0.00 H new ATOM 0 HB THR B 546 -3.144 14.312 13.407 1.00 0.00 H new ATOM 0 HG1 THR B 546 -1.468 15.195 14.789 1.00 0.00 H new ATOM 0 HG21 THR B 546 -2.647 13.277 15.591 1.00 0.00 H new ATOM 0 HG22 THR B 546 -3.132 12.064 14.383 1.00 0.00 H new ATOM 0 HG23 THR B 546 -1.416 12.249 14.819 1.00 0.00 H new ATOM 386 N ALA B 547 -3.369 11.381 11.711 1.00 0.00 N ATOM 387 CA ALA B 547 -4.548 10.798 11.081 1.00 0.00 C ATOM 388 C ALA B 547 -5.806 11.582 11.439 1.00 0.00 C ATOM 389 O ALA B 547 -6.790 11.567 10.700 1.00 0.00 O ATOM 390 CB ALA B 547 -4.698 9.341 11.490 1.00 0.00 C ATOM 0 H ALA B 547 -2.840 10.735 12.297 1.00 0.00 H new ATOM 0 HA ALA B 547 -4.415 10.849 10.000 1.00 0.00 H new ATOM 0 HB1 ALA B 547 -5.582 8.918 11.013 1.00 0.00 H new ATOM 0 HB2 ALA B 547 -3.815 8.783 11.178 1.00 0.00 H new ATOM 0 HB3 ALA B 547 -4.804 9.276 12.573 1.00 0.00 H new ATOM 396 N SER B 548 -5.767 12.267 12.578 1.00 0.00 N ATOM 397 CA SER B 548 -6.906 13.053 13.037 1.00 0.00 C ATOM 398 C SER B 548 -7.180 14.216 12.088 1.00 0.00 C ATOM 399 O SER B 548 -8.328 14.489 11.740 1.00 0.00 O ATOM 400 CB SER B 548 -6.651 13.582 14.450 1.00 0.00 C ATOM 401 OG SER B 548 -7.830 14.140 15.005 1.00 0.00 O ATOM 0 H SER B 548 -4.959 12.293 13.200 1.00 0.00 H new ATOM 0 HA SER B 548 -7.782 12.404 13.052 1.00 0.00 H new ATOM 0 HB2 SER B 548 -6.294 12.772 15.086 1.00 0.00 H new ATOM 0 HB3 SER B 548 -5.865 14.337 14.423 1.00 0.00 H new ATOM 0 HG SER B 548 -7.642 14.470 15.909 1.00 0.00 H new ATOM 407 N MET B 549 -6.117 14.897 11.674 1.00 0.00 N ATOM 408 CA MET B 549 -6.242 16.030 10.764 1.00 0.00 C ATOM 409 C MET B 549 -7.043 15.646 9.524 1.00 0.00 C ATOM 410 O MET B 549 -7.932 16.382 9.094 1.00 0.00 O ATOM 411 CB MET B 549 -4.858 16.538 10.354 1.00 0.00 C ATOM 412 CG MET B 549 -4.221 17.460 11.382 1.00 0.00 C ATOM 413 SD MET B 549 -2.467 17.739 11.070 1.00 0.00 S ATOM 414 CE MET B 549 -2.539 19.160 9.981 1.00 0.00 C ATOM 0 H MET B 549 -5.159 14.684 11.954 1.00 0.00 H new ATOM 0 HA MET B 549 -6.773 16.826 11.286 1.00 0.00 H new ATOM 0 HB2 MET B 549 -4.201 15.684 10.187 1.00 0.00 H new ATOM 0 HB3 MET B 549 -4.941 17.067 9.405 1.00 0.00 H new ATOM 0 HG2 MET B 549 -4.743 18.417 11.380 1.00 0.00 H new ATOM 0 HG3 MET B 549 -4.346 17.031 12.376 1.00 0.00 H new ATOM 0 HE1 MET B 549 -1.528 19.454 9.699 1.00 0.00 H new ATOM 0 HE2 MET B 549 -3.106 18.904 9.086 1.00 0.00 H new ATOM 0 HE3 MET B 549 -3.027 19.988 10.495 1.00 0.00 H new ATOM 424 N LEU B 550 -6.723 14.489 8.954 1.00 0.00 N ATOM 425 CA LEU B 550 -7.413 14.007 7.762 1.00 0.00 C ATOM 426 C LEU B 550 -8.730 13.332 8.131 1.00 0.00 C ATOM 427 O LEU B 550 -9.644 13.243 7.312 1.00 0.00 O ATOM 428 CB LEU B 550 -6.523 13.028 6.995 1.00 0.00 C ATOM 429 CG LEU B 550 -5.606 13.643 5.936 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.366 14.237 6.585 1.00 0.00 C ATOM 431 CD2 LEU B 550 -5.219 12.602 4.896 1.00 0.00 C ATOM 0 H LEU B 550 -5.991 13.868 9.298 1.00 0.00 H new ATOM 0 HA LEU B 550 -7.631 14.865 7.126 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.905 12.490 7.714 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.162 12.291 6.509 1.00 0.00 H new ATOM 0 HG LEU B 550 -6.148 14.444 5.434 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.725 14.670 5.817 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.661 15.013 7.291 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.821 13.454 7.113 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.567 13.057 4.151 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.695 11.779 5.382 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -6.117 12.223 4.409 1.00 0.00 H new ATOM 443 N ALA B 551 -8.820 12.860 9.371 1.00 0.00 N ATOM 444 CA ALA B 551 -10.027 12.197 9.850 1.00 0.00 C ATOM 445 C ALA B 551 -11.206 13.164 9.888 1.00 0.00 C ATOM 446 O ALA B 551 -12.302 12.839 9.434 1.00 0.00 O ATOM 447 CB ALA B 551 -9.788 11.598 11.228 1.00 0.00 C ATOM 0 H ALA B 551 -8.072 12.925 10.061 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.272 11.394 9.155 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.697 11.106 11.574 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.980 10.869 11.173 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.516 12.389 11.926 1.00 0.00 H new ATOM 453 N SER B 552 -10.972 14.353 10.434 1.00 0.00 N ATOM 454 CA SER B 552 -12.017 15.366 10.536 1.00 0.00 C ATOM 455 C SER B 552 -11.939 16.346 9.370 1.00 0.00 C ATOM 456 O SER B 552 -12.347 17.501 9.487 1.00 0.00 O ATOM 457 CB SER B 552 -11.897 16.121 11.861 1.00 0.00 C ATOM 458 OG SER B 552 -11.017 17.225 11.740 1.00 0.00 O ATOM 0 H SER B 552 -10.069 14.639 10.812 1.00 0.00 H new ATOM 0 HA SER B 552 -12.983 14.862 10.500 1.00 0.00 H new ATOM 0 HB2 SER B 552 -12.881 16.469 12.176 1.00 0.00 H new ATOM 0 HB3 SER B 552 -11.535 15.446 12.636 1.00 0.00 H new ATOM 0 HG SER B 552 -11.397 17.879 11.117 1.00 0.00 H new ATOM 464 N ALA B 553 -11.410 15.876 8.244 1.00 0.00 N ATOM 465 CA ALA B 553 -11.279 16.710 7.056 1.00 0.00 C ATOM 466 C ALA B 553 -11.900 16.031 5.839 1.00 0.00 C ATOM 467 O ALA B 553 -12.114 14.819 5.815 1.00 0.00 O ATOM 468 CB ALA B 553 -9.815 17.030 6.794 1.00 0.00 C ATOM 0 H ALA B 553 -11.066 14.923 8.130 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.816 17.641 7.235 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.733 17.653 5.904 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.400 17.563 7.650 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.262 16.103 6.641 1.00 0.00 H new ATOM 474 N PRO B 554 -12.198 16.830 4.803 1.00 0.00 N ATOM 475 CA PRO B 554 -12.799 16.328 3.564 1.00 0.00 C ATOM 476 C PRO B 554 -11.829 15.475 2.754 1.00 0.00 C ATOM 477 O PRO B 554 -10.628 15.436 3.019 1.00 0.00 O ATOM 478 CB PRO B 554 -13.155 17.606 2.800 1.00 0.00 C ATOM 479 CG PRO B 554 -12.210 18.634 3.319 1.00 0.00 C ATOM 480 CD PRO B 554 -11.971 18.284 4.762 1.00 0.00 C ATOM 0 HA PRO B 554 -13.653 15.679 3.758 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.040 17.469 1.725 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.191 17.896 2.975 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.277 18.626 2.756 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.631 19.635 3.225 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -10.959 18.542 5.076 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.655 18.816 5.423 1.00 0.00 H new ATOM 488 N PRO B 555 -12.360 14.774 1.741 1.00 0.00 N ATOM 489 CA PRO B 555 -11.558 13.909 0.870 1.00 0.00 C ATOM 490 C PRO B 555 -10.628 14.705 -0.039 1.00 0.00 C ATOM 491 O PRO B 555 -9.774 14.136 -0.718 1.00 0.00 O ATOM 492 CB PRO B 555 -12.610 13.168 0.041 1.00 0.00 C ATOM 493 CG PRO B 555 -13.795 14.070 0.038 1.00 0.00 C ATOM 494 CD PRO B 555 -13.785 14.773 1.367 1.00 0.00 C ATOM 0 HA PRO B 555 -10.903 13.250 1.440 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.254 12.979 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.851 12.200 0.481 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.738 14.786 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.716 13.503 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.181 15.786 1.289 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.394 14.249 2.104 1.00 0.00 H new ATOM 502 N GLN B 556 -10.799 16.023 -0.046 1.00 0.00 N ATOM 503 CA GLN B 556 -9.974 16.896 -0.873 1.00 0.00 C ATOM 504 C GLN B 556 -8.818 17.477 -0.065 1.00 0.00 C ATOM 505 O GLN B 556 -7.682 17.521 -0.535 1.00 0.00 O ATOM 506 CB GLN B 556 -10.820 18.026 -1.461 1.00 0.00 C ATOM 507 CG GLN B 556 -11.965 17.539 -2.334 1.00 0.00 C ATOM 508 CD GLN B 556 -12.893 18.660 -2.759 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.597 19.837 -2.555 1.00 0.00 O ATOM 510 NE2 GLN B 556 -14.023 18.299 -3.355 1.00 0.00 N ATOM 0 H GLN B 556 -11.501 16.510 0.511 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.561 16.300 -1.687 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.225 18.627 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.178 18.680 -2.050 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.559 17.053 -3.221 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.536 16.786 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -14.228 17.311 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.686 19.010 -3.664 1.00 0.00 H new ATOM 519 N GLU B 557 -9.117 17.921 1.151 1.00 0.00 N ATOM 520 CA GLU B 557 -8.102 18.501 2.023 1.00 0.00 C ATOM 521 C GLU B 557 -7.011 17.482 2.340 1.00 0.00 C ATOM 522 O GLU B 557 -5.876 17.847 2.645 1.00 0.00 O ATOM 523 CB GLU B 557 -8.738 19.003 3.321 1.00 0.00 C ATOM 524 CG GLU B 557 -9.393 20.368 3.189 1.00 0.00 C ATOM 525 CD GLU B 557 -8.399 21.506 3.313 1.00 0.00 C ATOM 526 OE1 GLU B 557 -7.408 21.349 4.057 1.00 0.00 O ATOM 527 OE2 GLU B 557 -8.611 22.554 2.668 1.00 0.00 O ATOM 0 H GLU B 557 -10.053 17.890 1.555 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.649 19.343 1.500 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.485 18.281 3.653 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -7.973 19.050 4.096 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -9.896 20.434 2.224 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.160 20.475 3.956 1.00 0.00 H new ATOM 534 N GLN B 558 -7.365 16.203 2.267 1.00 0.00 N ATOM 535 CA GLN B 558 -6.417 15.131 2.547 1.00 0.00 C ATOM 536 C GLN B 558 -5.177 15.256 1.667 1.00 0.00 C ATOM 537 O GLN B 558 -4.097 15.606 2.144 1.00 0.00 O ATOM 538 CB GLN B 558 -7.076 13.768 2.328 1.00 0.00 C ATOM 539 CG GLN B 558 -8.312 13.545 3.185 1.00 0.00 C ATOM 540 CD GLN B 558 -8.370 12.149 3.773 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.837 11.199 3.200 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.020 12.018 4.924 1.00 0.00 N ATOM 0 H GLN B 558 -8.301 15.884 2.016 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.110 15.216 3.590 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.350 13.671 1.278 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.350 12.984 2.542 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.326 14.276 3.993 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.204 13.719 2.582 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.447 12.833 5.364 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.092 11.102 5.368 1.00 0.00 H new ATOM 551 N LYS B 559 -5.340 14.969 0.380 1.00 0.00 N ATOM 552 CA LYS B 559 -4.235 15.050 -0.568 1.00 0.00 C ATOM 553 C LYS B 559 -3.541 16.405 -0.479 1.00 0.00 C ATOM 554 O LYS B 559 -2.331 16.507 -0.683 1.00 0.00 O ATOM 555 CB LYS B 559 -4.741 14.816 -1.993 1.00 0.00 C ATOM 556 CG LYS B 559 -5.894 15.724 -2.386 1.00 0.00 C ATOM 557 CD LYS B 559 -6.524 15.289 -3.698 1.00 0.00 C ATOM 558 CE LYS B 559 -5.518 15.323 -4.838 1.00 0.00 C ATOM 559 NZ LYS B 559 -6.181 15.523 -6.157 1.00 0.00 N ATOM 0 H LYS B 559 -6.227 14.678 -0.031 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.513 14.274 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.917 14.966 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.057 13.778 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.648 15.717 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.536 16.750 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -6.924 14.280 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -7.364 15.942 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -4.801 16.126 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -4.954 14.390 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -5.462 15.540 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -6.846 14.743 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -6.698 16.425 -6.152 1.00 0.00 H new ATOM 573 N GLN B 560 -4.314 17.442 -0.174 1.00 0.00 N ATOM 574 CA GLN B 560 -3.771 18.791 -0.058 1.00 0.00 C ATOM 575 C GLN B 560 -2.776 18.880 1.095 1.00 0.00 C ATOM 576 O GLN B 560 -1.573 19.024 0.879 1.00 0.00 O ATOM 577 CB GLN B 560 -4.901 19.802 0.148 1.00 0.00 C ATOM 578 CG GLN B 560 -5.858 19.892 -1.029 1.00 0.00 C ATOM 579 CD GLN B 560 -7.191 20.509 -0.651 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.276 21.305 0.285 1.00 0.00 O ATOM 581 NE2 GLN B 560 -8.240 20.145 -1.379 1.00 0.00 N ATOM 0 H GLN B 560 -5.317 17.375 -0.003 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.247 19.026 -0.985 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.462 19.530 1.042 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.469 20.786 0.330 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.399 20.484 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.026 18.894 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -8.124 19.482 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -9.162 20.528 -1.172 1.00 0.00 H new ATOM 590 N MET B 561 -3.287 18.793 2.319 1.00 0.00 N ATOM 591 CA MET B 561 -2.442 18.864 3.505 1.00 0.00 C ATOM 592 C MET B 561 -1.350 17.799 3.459 1.00 0.00 C ATOM 593 O MET B 561 -0.163 18.109 3.569 1.00 0.00 O ATOM 594 CB MET B 561 -3.286 18.690 4.769 1.00 0.00 C ATOM 595 CG MET B 561 -4.443 19.672 4.868 1.00 0.00 C ATOM 596 SD MET B 561 -5.549 19.307 6.244 1.00 0.00 S ATOM 597 CE MET B 561 -6.208 17.720 5.737 1.00 0.00 C ATOM 0 H MET B 561 -4.281 18.673 2.515 1.00 0.00 H new ATOM 0 HA MET B 561 -1.968 19.845 3.525 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.679 17.674 4.796 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.645 18.807 5.643 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.049 20.682 4.982 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.010 19.655 3.937 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.291 17.791 5.636 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.773 17.434 4.779 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.962 16.968 6.486 1.00 0.00 H new ATOM 607 N LEU B 562 -1.758 16.546 3.296 1.00 0.00 N ATOM 608 CA LEU B 562 -0.814 15.435 3.236 1.00 0.00 C ATOM 609 C LEU B 562 0.282 15.708 2.211 1.00 0.00 C ATOM 610 O LEU B 562 1.464 15.755 2.549 1.00 0.00 O ATOM 611 CB LEU B 562 -1.544 14.138 2.885 1.00 0.00 C ATOM 612 CG LEU B 562 -0.679 12.879 2.814 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.464 11.665 3.286 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.162 12.666 1.399 1.00 0.00 C ATOM 0 H LEU B 562 -2.736 16.273 3.203 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.351 15.330 4.217 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.328 13.975 3.624 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.037 14.271 1.922 1.00 0.00 H new ATOM 0 HG LEU B 562 0.177 13.012 3.475 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.832 10.778 3.228 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.783 11.817 4.317 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.340 11.529 2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.452 11.766 1.367 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -1.005 12.555 0.717 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.438 13.525 1.098 1.00 0.00 H new ATOM 626 N GLY B 563 -0.119 15.891 0.956 1.00 0.00 N ATOM 627 CA GLY B 563 0.841 16.159 -0.098 1.00 0.00 C ATOM 628 C GLY B 563 1.713 17.361 0.204 1.00 0.00 C ATOM 629 O GLY B 563 2.924 17.327 -0.013 1.00 0.00 O ATOM 0 H GLY B 563 -1.092 15.858 0.651 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.473 15.282 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.310 16.326 -1.035 1.00 0.00 H new ATOM 633 N GLU B 564 1.096 18.427 0.704 1.00 0.00 N ATOM 634 CA GLU B 564 1.826 19.646 1.034 1.00 0.00 C ATOM 635 C GLU B 564 2.954 19.356 2.020 1.00 0.00 C ATOM 636 O GLU B 564 4.094 19.772 1.815 1.00 0.00 O ATOM 637 CB GLU B 564 0.876 20.692 1.622 1.00 0.00 C ATOM 638 CG GLU B 564 0.040 21.410 0.576 1.00 0.00 C ATOM 639 CD GLU B 564 -1.330 21.803 1.095 1.00 0.00 C ATOM 640 OE1 GLU B 564 -1.456 22.044 2.314 1.00 0.00 O ATOM 641 OE2 GLU B 564 -2.276 21.870 0.282 1.00 0.00 O ATOM 0 H GLU B 564 0.094 18.471 0.889 1.00 0.00 H new ATOM 0 HA GLU B 564 2.263 20.037 0.115 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.211 20.206 2.336 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.458 21.427 2.178 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.569 22.303 0.244 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.077 20.766 -0.296 1.00 0.00 H new ATOM 648 N ARG B 565 2.626 18.639 3.091 1.00 0.00 N ATOM 649 CA ARG B 565 3.610 18.295 4.110 1.00 0.00 C ATOM 650 C ARG B 565 4.577 17.233 3.594 1.00 0.00 C ATOM 651 O ARG B 565 5.712 17.133 4.061 1.00 0.00 O ATOM 652 CB ARG B 565 2.911 17.792 5.374 1.00 0.00 C ATOM 653 CG ARG B 565 2.550 18.899 6.352 1.00 0.00 C ATOM 654 CD ARG B 565 1.089 19.300 6.225 1.00 0.00 C ATOM 655 NE ARG B 565 0.763 20.453 7.060 1.00 0.00 N ATOM 656 CZ ARG B 565 1.154 21.693 6.787 1.00 0.00 C ATOM 657 NH1 ARG B 565 1.881 21.939 5.705 1.00 0.00 N ATOM 658 NH2 ARG B 565 0.818 22.689 7.596 1.00 0.00 N ATOM 0 H ARG B 565 1.687 18.286 3.275 1.00 0.00 H new ATOM 0 HA ARG B 565 4.178 19.194 4.350 1.00 0.00 H new ATOM 0 HB2 ARG B 565 2.003 17.260 5.090 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.559 17.073 5.875 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.750 18.566 7.370 1.00 0.00 H new ATOM 0 HG3 ARG B 565 3.184 19.767 6.171 1.00 0.00 H new ATOM 0 HD2 ARG B 565 0.866 19.532 5.184 1.00 0.00 H new ATOM 0 HD3 ARG B 565 0.456 18.458 6.506 1.00 0.00 H new ATOM 0 HE ARG B 565 0.204 20.298 7.899 1.00 0.00 H new ATOM 0 HH11 ARG B 565 2.141 21.175 5.081 1.00 0.00 H new ATOM 0 HH12 ARG B 565 2.180 22.892 5.497 1.00 0.00 H new ATOM 0 HH21 ARG B 565 0.259 22.503 8.429 1.00 0.00 H new ATOM 0 HH22 ARG B 565 1.119 23.641 7.385 1.00 0.00 H new ATOM 672 N LEU B 566 4.120 16.442 2.630 1.00 0.00 N ATOM 673 CA LEU B 566 4.944 15.387 2.051 1.00 0.00 C ATOM 674 C LEU B 566 5.988 15.969 1.103 1.00 0.00 C ATOM 675 O LEU B 566 7.055 15.388 0.905 1.00 0.00 O ATOM 676 CB LEU B 566 4.068 14.379 1.305 1.00 0.00 C ATOM 677 CG LEU B 566 3.929 13.001 1.953 1.00 0.00 C ATOM 678 CD1 LEU B 566 3.028 13.074 3.176 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.390 11.992 0.950 1.00 0.00 C ATOM 0 H LEU B 566 3.183 16.511 2.233 1.00 0.00 H new ATOM 0 HA LEU B 566 5.462 14.878 2.864 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.072 14.807 1.192 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.474 14.247 0.302 1.00 0.00 H new ATOM 0 HG LEU B 566 4.917 12.671 2.275 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.941 12.084 3.624 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.456 13.764 3.903 1.00 0.00 H new ATOM 0 HD13 LEU B 566 2.040 13.426 2.880 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.298 11.017 1.429 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.411 12.317 0.597 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.074 11.918 0.105 1.00 0.00 H new ATOM 691 N PHE B 567 5.674 17.122 0.522 1.00 0.00 N ATOM 692 CA PHE B 567 6.585 17.785 -0.404 1.00 0.00 C ATOM 693 C PHE B 567 7.988 17.879 0.188 1.00 0.00 C ATOM 694 O PHE B 567 8.963 17.385 -0.380 1.00 0.00 O ATOM 695 CB PHE B 567 6.069 19.184 -0.746 1.00 0.00 C ATOM 696 CG PHE B 567 6.003 19.454 -2.222 1.00 0.00 C ATOM 697 CD1 PHE B 567 7.027 19.044 -3.062 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.918 20.118 -2.771 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.969 19.290 -4.421 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.854 20.367 -4.129 1.00 0.00 C ATOM 701 CZ PHE B 567 5.882 19.954 -4.955 1.00 0.00 C ATOM 0 H PHE B 567 4.795 17.617 0.676 1.00 0.00 H new ATOM 0 HA PHE B 567 6.633 17.190 -1.316 1.00 0.00 H new ATOM 0 HB2 PHE B 567 5.075 19.311 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.716 19.926 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.880 18.526 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE B 567 4.113 20.445 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.773 18.963 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE B 567 4.001 20.884 -4.544 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.836 20.150 -6.016 1.00 0.00 H new ATOM 711 N PRO B 568 8.095 18.528 1.356 1.00 0.00 N ATOM 712 CA PRO B 568 9.374 18.702 2.051 1.00 0.00 C ATOM 713 C PRO B 568 9.909 17.392 2.618 1.00 0.00 C ATOM 714 O PRO B 568 11.117 17.148 2.613 1.00 0.00 O ATOM 715 CB PRO B 568 9.034 19.676 3.182 1.00 0.00 C ATOM 716 CG PRO B 568 7.577 19.478 3.426 1.00 0.00 C ATOM 717 CD PRO B 568 6.976 19.142 2.090 1.00 0.00 C ATOM 0 HA PRO B 568 10.156 19.061 1.382 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.618 19.463 4.077 1.00 0.00 H new ATOM 0 HB3 PRO B 568 9.252 20.705 2.897 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.407 18.675 4.143 1.00 0.00 H new ATOM 0 HG3 PRO B 568 7.125 20.378 3.842 1.00 0.00 H new ATOM 0 HD2 PRO B 568 6.136 18.455 2.189 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.603 20.031 1.582 1.00 0.00 H new ATOM 725 N LEU B 569 9.004 16.552 3.107 1.00 0.00 N ATOM 726 CA LEU B 569 9.385 15.264 3.679 1.00 0.00 C ATOM 727 C LEU B 569 10.266 14.479 2.712 1.00 0.00 C ATOM 728 O LEU B 569 11.278 13.902 3.109 1.00 0.00 O ATOM 729 CB LEU B 569 8.138 14.450 4.028 1.00 0.00 C ATOM 730 CG LEU B 569 8.316 13.378 5.103 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.261 12.288 4.620 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.831 13.998 6.394 1.00 0.00 C ATOM 0 H LEU B 569 8.001 16.739 3.119 1.00 0.00 H new ATOM 0 HA LEU B 569 9.954 15.452 4.589 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.359 15.139 4.355 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.777 13.968 3.119 1.00 0.00 H new ATOM 0 HG LEU B 569 7.344 12.926 5.302 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.375 11.534 5.399 1.00 0.00 H new ATOM 0 HD12 LEU B 569 8.852 11.824 3.723 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.234 12.724 4.392 1.00 0.00 H new ATOM 0 HD21 LEU B 569 8.952 13.220 7.148 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.793 14.477 6.209 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.118 14.741 6.750 1.00 0.00 H new ATOM 744 N ILE B 570 9.874 14.463 1.442 1.00 0.00 N ATOM 745 CA ILE B 570 10.629 13.752 0.419 1.00 0.00 C ATOM 746 C ILE B 570 11.891 14.517 0.036 1.00 0.00 C ATOM 747 O ILE B 570 12.917 13.918 -0.287 1.00 0.00 O ATOM 748 CB ILE B 570 9.781 13.516 -0.845 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.699 12.470 -0.572 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.667 13.080 -2.003 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.416 12.715 -1.335 1.00 0.00 C ATOM 0 H ILE B 570 9.038 14.935 1.098 1.00 0.00 H new ATOM 0 HA ILE B 570 10.907 12.788 0.845 1.00 0.00 H new ATOM 0 HB ILE B 570 9.294 14.452 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE B 570 9.084 11.484 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.480 12.455 0.496 1.00 0.00 H new ATOM 0 HG21 ILE B 570 10.054 12.917 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.404 13.856 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE B 570 11.179 12.154 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.694 11.935 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE B 570 7.007 13.687 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.621 12.700 -2.405 1.00 0.00 H new ATOM 763 N GLN B 571 11.808 15.843 0.075 1.00 0.00 N ATOM 764 CA GLN B 571 12.944 16.690 -0.268 1.00 0.00 C ATOM 765 C GLN B 571 14.137 16.390 0.634 1.00 0.00 C ATOM 766 O GLN B 571 15.276 16.717 0.301 1.00 0.00 O ATOM 767 CB GLN B 571 12.560 18.166 -0.151 1.00 0.00 C ATOM 768 CG GLN B 571 11.590 18.629 -1.227 1.00 0.00 C ATOM 769 CD GLN B 571 10.866 19.906 -0.849 1.00 0.00 C ATOM 770 OE1 GLN B 571 9.636 19.966 -0.872 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.626 20.936 -0.497 1.00 0.00 N ATOM 0 H GLN B 571 10.966 16.354 0.341 1.00 0.00 H new ATOM 0 HA GLN B 571 13.227 16.476 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.114 18.340 0.828 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.464 18.773 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.134 18.786 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.859 17.843 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN B 571 12.642 20.842 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.194 21.821 -0.232 1.00 0.00 H new ATOM 780 N ALA B 572 13.868 15.767 1.776 1.00 0.00 N ATOM 781 CA ALA B 572 14.920 15.422 2.724 1.00 0.00 C ATOM 782 C ALA B 572 15.984 14.548 2.070 1.00 0.00 C ATOM 783 O ALA B 572 17.130 14.509 2.517 1.00 0.00 O ATOM 784 CB ALA B 572 14.328 14.717 3.936 1.00 0.00 C ATOM 0 H ALA B 572 12.930 15.491 2.067 1.00 0.00 H new ATOM 0 HA ALA B 572 15.397 16.346 3.051 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.125 14.465 4.636 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.610 15.375 4.425 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.824 13.805 3.616 1.00 0.00 H new ATOM 790 N MET B 573 15.598 13.848 1.008 1.00 0.00 N ATOM 791 CA MET B 573 16.520 12.974 0.292 1.00 0.00 C ATOM 792 C MET B 573 16.508 13.279 -1.203 1.00 0.00 C ATOM 793 O MET B 573 17.548 13.250 -1.861 1.00 0.00 O ATOM 794 CB MET B 573 16.155 11.508 0.529 1.00 0.00 C ATOM 795 CG MET B 573 14.659 11.264 0.641 1.00 0.00 C ATOM 796 SD MET B 573 14.097 11.168 2.352 1.00 0.00 S ATOM 797 CE MET B 573 12.374 10.741 2.118 1.00 0.00 C ATOM 0 H MET B 573 14.653 13.869 0.624 1.00 0.00 H new ATOM 0 HA MET B 573 17.525 13.156 0.674 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.553 10.907 -0.288 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.640 11.165 1.443 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.125 12.066 0.132 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.407 10.336 0.127 1.00 0.00 H new ATOM 0 HE1 MET B 573 11.781 11.161 2.931 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.025 11.145 1.168 1.00 0.00 H new ATOM 0 HE3 MET B 573 12.265 9.656 2.113 1.00 0.00 H new ATOM 807 N HIS B 574 15.324 13.571 -1.732 1.00 0.00 N ATOM 808 CA HIS B 574 15.177 13.881 -3.150 1.00 0.00 C ATOM 809 C HIS B 574 14.473 15.221 -3.343 1.00 0.00 C ATOM 810 O HIS B 574 13.304 15.287 -3.725 1.00 0.00 O ATOM 811 CB HIS B 574 14.394 12.774 -3.857 1.00 0.00 C ATOM 812 CG HIS B 574 15.209 11.550 -4.138 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.445 10.571 -3.195 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.842 11.146 -5.264 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.191 9.620 -3.729 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.445 9.944 -4.984 1.00 0.00 N ATOM 0 H HIS B 574 14.454 13.599 -1.201 1.00 0.00 H new ATOM 0 HA HIS B 574 16.173 13.947 -3.587 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.537 12.497 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS B 574 14.000 13.162 -4.796 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.868 11.671 -6.207 1.00 0.00 H new ATOM 0 HE1 HIS B 574 16.535 8.729 -3.225 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.999 9.392 -5.639 1.00 0.00 H new ATOM 824 N PRO B 575 15.199 16.316 -3.071 1.00 0.00 N ATOM 825 CA PRO B 575 14.664 17.674 -3.207 1.00 0.00 C ATOM 826 C PRO B 575 14.439 18.065 -4.663 1.00 0.00 C ATOM 827 O PRO B 575 13.875 19.121 -4.954 1.00 0.00 O ATOM 828 CB PRO B 575 15.753 18.548 -2.580 1.00 0.00 C ATOM 829 CG PRO B 575 17.005 17.755 -2.724 1.00 0.00 C ATOM 830 CD PRO B 575 16.597 16.312 -2.610 1.00 0.00 C ATOM 0 HA PRO B 575 13.689 17.778 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.832 19.508 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.537 18.760 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.483 17.951 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.725 18.019 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.222 15.668 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.681 15.950 -1.585 1.00 0.00 H new ATOM 838 N THR B 576 14.883 17.208 -5.577 1.00 0.00 N ATOM 839 CA THR B 576 14.731 17.464 -7.004 1.00 0.00 C ATOM 840 C THR B 576 13.464 16.813 -7.547 1.00 0.00 C ATOM 841 O THR B 576 12.624 17.477 -8.155 1.00 0.00 O ATOM 842 CB THR B 576 15.943 16.946 -7.800 1.00 0.00 C ATOM 843 OG1 THR B 576 16.302 15.635 -7.349 1.00 0.00 O ATOM 844 CG2 THR B 576 17.132 17.883 -7.647 1.00 0.00 C ATOM 0 H THR B 576 15.351 16.330 -5.354 1.00 0.00 H new ATOM 0 HA THR B 576 14.662 18.545 -7.126 1.00 0.00 H new ATOM 0 HB THR B 576 15.666 16.904 -8.853 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.072 15.312 -7.862 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.976 17.496 -8.218 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.866 18.873 -8.018 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.407 17.952 -6.595 1.00 0.00 H new ATOM 852 N LEU B 577 13.332 15.510 -7.324 1.00 0.00 N ATOM 853 CA LEU B 577 12.166 14.768 -7.792 1.00 0.00 C ATOM 854 C LEU B 577 11.090 14.710 -6.713 1.00 0.00 C ATOM 855 O LEU B 577 10.196 13.865 -6.759 1.00 0.00 O ATOM 856 CB LEU B 577 12.570 13.351 -8.202 1.00 0.00 C ATOM 857 CG LEU B 577 13.557 13.245 -9.365 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.152 14.177 -10.496 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.971 13.556 -8.895 1.00 0.00 C ATOM 0 H LEU B 577 14.018 14.945 -6.822 1.00 0.00 H new ATOM 0 HA LEU B 577 11.758 15.288 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.006 12.854 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.668 12.799 -8.466 1.00 0.00 H new ATOM 0 HG LEU B 577 13.537 12.222 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.866 14.088 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.157 13.907 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.142 15.205 -10.134 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.660 13.476 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.006 14.568 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.261 12.847 -8.120 1.00 0.00 H new ATOM 871 N ALA B 578 11.180 15.616 -5.744 1.00 0.00 N ATOM 872 CA ALA B 578 10.212 15.670 -4.656 1.00 0.00 C ATOM 873 C ALA B 578 8.787 15.747 -5.193 1.00 0.00 C ATOM 874 O ALA B 578 7.925 14.956 -4.812 1.00 0.00 O ATOM 875 CB ALA B 578 10.501 16.858 -3.751 1.00 0.00 C ATOM 0 H ALA B 578 11.914 16.322 -5.691 1.00 0.00 H new ATOM 0 HA ALA B 578 10.305 14.753 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.770 16.886 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.502 16.761 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.438 17.780 -4.329 1.00 0.00 H new ATOM 881 N GLY B 579 8.545 16.706 -6.082 1.00 0.00 N ATOM 882 CA GLY B 579 7.222 16.869 -6.656 1.00 0.00 C ATOM 883 C GLY B 579 6.689 15.583 -7.257 1.00 0.00 C ATOM 884 O GLY B 579 5.570 15.167 -6.959 1.00 0.00 O ATOM 0 H GLY B 579 9.242 17.373 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.535 17.218 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.256 17.640 -7.426 1.00 0.00 H new ATOM 888 N LYS B 580 7.491 14.953 -8.109 1.00 0.00 N ATOM 889 CA LYS B 580 7.095 13.708 -8.755 1.00 0.00 C ATOM 890 C LYS B 580 6.873 12.606 -7.724 1.00 0.00 C ATOM 891 O LYS B 580 5.867 11.898 -7.766 1.00 0.00 O ATOM 892 CB LYS B 580 8.160 13.271 -9.763 1.00 0.00 C ATOM 893 CG LYS B 580 8.421 14.294 -10.855 1.00 0.00 C ATOM 894 CD LYS B 580 7.216 14.458 -11.764 1.00 0.00 C ATOM 895 CE LYS B 580 7.055 13.269 -12.698 1.00 0.00 C ATOM 896 NZ LYS B 580 5.812 13.366 -13.512 1.00 0.00 N ATOM 0 H LYS B 580 8.420 15.285 -8.368 1.00 0.00 H new ATOM 0 HA LYS B 580 6.156 13.884 -9.281 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.091 13.073 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS B 580 7.850 12.333 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS B 580 8.671 15.254 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS B 580 9.284 13.985 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS B 580 6.316 14.571 -11.160 1.00 0.00 H new ATOM 0 HD3 LYS B 580 7.323 15.371 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS B 580 7.919 13.208 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.036 12.349 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 5.740 12.537 -14.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 4.986 13.398 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 5.841 14.231 -14.089 1.00 0.00 H new ATOM 910 N ILE B 581 7.817 12.469 -6.799 1.00 0.00 N ATOM 911 CA ILE B 581 7.722 11.456 -5.756 1.00 0.00 C ATOM 912 C ILE B 581 6.436 11.614 -4.951 1.00 0.00 C ATOM 913 O ILE B 581 5.598 10.712 -4.914 1.00 0.00 O ATOM 914 CB ILE B 581 8.926 11.520 -4.797 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.225 11.239 -5.555 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.747 10.531 -3.655 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.434 11.922 -4.956 1.00 0.00 C ATOM 0 H ILE B 581 8.656 13.047 -6.751 1.00 0.00 H new ATOM 0 HA ILE B 581 7.718 10.488 -6.257 1.00 0.00 H new ATOM 0 HB ILE B 581 8.984 12.524 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.399 10.163 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.110 11.563 -6.589 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.606 10.588 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.840 10.774 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.667 9.521 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.318 11.678 -5.545 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.281 13.001 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.575 11.579 -3.931 1.00 0.00 H new ATOM 929 N THR B 582 6.286 12.767 -4.307 1.00 0.00 N ATOM 930 CA THR B 582 5.102 13.045 -3.503 1.00 0.00 C ATOM 931 C THR B 582 3.829 12.879 -4.324 1.00 0.00 C ATOM 932 O THR B 582 2.795 12.458 -3.806 1.00 0.00 O ATOM 933 CB THR B 582 5.141 14.469 -2.919 1.00 0.00 C ATOM 934 OG1 THR B 582 4.132 14.615 -1.913 1.00 0.00 O ATOM 935 CG2 THR B 582 4.931 15.508 -4.010 1.00 0.00 C ATOM 0 H THR B 582 6.970 13.524 -4.326 1.00 0.00 H new ATOM 0 HA THR B 582 5.100 12.325 -2.685 1.00 0.00 H new ATOM 0 HB THR B 582 6.123 14.627 -2.473 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.165 15.523 -1.546 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.963 16.506 -3.573 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.718 15.414 -4.758 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.961 15.349 -4.482 1.00 0.00 H new ATOM 943 N GLY B 583 3.911 13.212 -5.609 1.00 0.00 N ATOM 944 CA GLY B 583 2.757 13.093 -6.481 1.00 0.00 C ATOM 945 C GLY B 583 2.256 11.666 -6.587 1.00 0.00 C ATOM 946 O GLY B 583 1.111 11.376 -6.240 1.00 0.00 O ATOM 0 H GLY B 583 4.756 13.562 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.955 13.730 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY B 583 3.017 13.459 -7.474 1.00 0.00 H new ATOM 950 N MET B 584 3.114 10.774 -7.070 1.00 0.00 N ATOM 951 CA MET B 584 2.751 9.369 -7.222 1.00 0.00 C ATOM 952 C MET B 584 2.460 8.734 -5.866 1.00 0.00 C ATOM 953 O MET B 584 1.504 7.970 -5.719 1.00 0.00 O ATOM 954 CB MET B 584 3.873 8.604 -7.926 1.00 0.00 C ATOM 955 CG MET B 584 4.285 9.217 -9.255 1.00 0.00 C ATOM 956 SD MET B 584 5.848 8.559 -9.868 1.00 0.00 S ATOM 957 CE MET B 584 6.998 9.268 -8.692 1.00 0.00 C ATOM 0 H MET B 584 4.065 10.998 -7.363 1.00 0.00 H new ATOM 0 HA MET B 584 1.848 9.316 -7.830 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.742 8.563 -7.269 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.551 7.576 -8.093 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.504 9.034 -9.993 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.370 10.298 -9.142 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.967 8.778 -8.790 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.109 10.334 -8.889 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.619 9.123 -7.680 1.00 0.00 H new ATOM 967 N LEU B 585 3.288 9.053 -4.878 1.00 0.00 N ATOM 968 CA LEU B 585 3.119 8.513 -3.533 1.00 0.00 C ATOM 969 C LEU B 585 1.796 8.968 -2.926 1.00 0.00 C ATOM 970 O LEU B 585 1.224 8.285 -2.075 1.00 0.00 O ATOM 971 CB LEU B 585 4.281 8.948 -2.638 1.00 0.00 C ATOM 972 CG LEU B 585 5.482 8.002 -2.590 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.940 7.650 -3.996 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.620 8.626 -1.796 1.00 0.00 C ATOM 0 H LEU B 585 4.083 9.683 -4.982 1.00 0.00 H new ATOM 0 HA LEU B 585 3.110 7.425 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.627 9.925 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.904 9.076 -1.623 1.00 0.00 H new ATOM 0 HG LEU B 585 5.178 7.083 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.795 6.976 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.126 7.161 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.227 8.560 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.466 7.939 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.924 9.560 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.286 8.826 -0.778 1.00 0.00 H new ATOM 986 N LEU B 586 1.314 10.123 -3.369 1.00 0.00 N ATOM 987 CA LEU B 586 0.056 10.669 -2.871 1.00 0.00 C ATOM 988 C LEU B 586 -1.132 10.063 -3.612 1.00 0.00 C ATOM 989 O LEU B 586 -2.260 10.088 -3.121 1.00 0.00 O ATOM 990 CB LEU B 586 0.042 12.191 -3.022 1.00 0.00 C ATOM 991 CG LEU B 586 -1.324 12.866 -2.896 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.182 14.246 -2.272 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.000 12.960 -4.255 1.00 0.00 C ATOM 0 H LEU B 586 1.775 10.700 -4.072 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.029 10.414 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.706 12.617 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.461 12.443 -3.996 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.950 12.257 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.164 14.711 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.741 14.153 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.539 14.864 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -2.971 13.443 -4.146 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.377 13.546 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.137 11.959 -4.663 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.869 9.517 -4.795 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.917 8.902 -5.602 1.00 0.00 C ATOM 1007 C GLU B 587 -2.271 7.516 -5.071 1.00 0.00 C ATOM 1008 O GLU B 587 -3.433 7.228 -4.785 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.474 8.803 -7.064 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.560 8.294 -7.996 1.00 0.00 C ATOM 1011 CD GLU B 587 -3.910 8.926 -7.719 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -3.966 10.165 -7.574 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.910 8.182 -7.646 1.00 0.00 O ATOM 0 H GLU B 587 0.060 9.488 -5.216 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.804 9.532 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.147 9.786 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.611 8.140 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -2.273 8.497 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.642 7.212 -7.895 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.261 6.663 -4.943 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.465 5.308 -4.446 1.00 0.00 C ATOM 1022 C ILE B 588 -2.585 5.264 -3.413 1.00 0.00 C ATOM 1023 O ILE B 588 -3.603 4.601 -3.613 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.179 4.739 -3.817 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.728 5.876 -3.341 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.552 3.854 -4.816 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.750 5.443 -2.314 1.00 0.00 C ATOM 0 H ILE B 588 -0.293 6.886 -5.176 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.741 4.696 -5.304 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.452 4.131 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.246 6.301 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.112 6.668 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.459 3.459 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.095 3.028 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.816 4.440 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.358 6.299 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.239 5.045 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.391 4.672 -2.741 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.391 5.976 -2.308 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.387 6.021 -1.243 1.00 0.00 C ATOM 1041 C ASP B 589 -2.868 6.814 -0.048 1.00 0.00 C ATOM 1042 O ASP B 589 -1.995 6.351 0.685 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.763 4.605 -0.807 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.233 4.304 -1.022 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.077 5.032 -0.458 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.540 3.340 -1.754 1.00 0.00 O ATOM 0 H ASP B 589 -1.554 6.530 -2.126 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.275 6.521 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.163 3.885 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.519 4.476 0.248 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.412 8.012 0.143 1.00 0.00 N ATOM 1052 CA ASN B 590 -3.002 8.871 1.248 1.00 0.00 C ATOM 1053 C ASN B 590 -3.061 8.116 2.573 1.00 0.00 C ATOM 1054 O ASN B 590 -2.143 8.201 3.388 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.895 10.111 1.315 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.679 11.043 0.139 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.543 11.339 -0.233 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.772 11.511 -0.454 1.00 0.00 N ATOM 0 H ASN B 590 -4.138 8.410 -0.453 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.972 9.182 1.072 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.940 9.802 1.343 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.697 10.649 2.242 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.689 12.142 -1.251 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.694 11.239 -0.112 1.00 0.00 H new ATOM 1065 N SER B 591 -4.147 7.378 2.780 1.00 0.00 N ATOM 1066 CA SER B 591 -4.327 6.611 4.007 1.00 0.00 C ATOM 1067 C SER B 591 -3.104 5.744 4.290 1.00 0.00 C ATOM 1068 O SER B 591 -2.640 5.660 5.427 1.00 0.00 O ATOM 1069 CB SER B 591 -5.576 5.733 3.906 1.00 0.00 C ATOM 1070 OG SER B 591 -6.170 5.542 5.178 1.00 0.00 O ATOM 0 H SER B 591 -4.915 7.295 2.114 1.00 0.00 H new ATOM 0 HA SER B 591 -4.451 7.314 4.831 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.296 6.196 3.231 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.311 4.767 3.476 1.00 0.00 H new ATOM 0 HG SER B 591 -6.967 4.979 5.086 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.588 5.101 3.247 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.419 4.239 3.384 1.00 0.00 C ATOM 1078 C GLU B 592 -0.202 5.041 3.834 1.00 0.00 C ATOM 1079 O GLU B 592 0.613 4.564 4.626 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.119 3.536 2.059 1.00 0.00 C ATOM 1081 CG GLU B 592 -0.030 2.481 2.163 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.359 1.402 3.177 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.559 1.125 3.379 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.584 0.836 3.768 1.00 0.00 O ATOM 0 H GLU B 592 -2.960 5.160 2.299 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.639 3.489 4.143 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -2.032 3.069 1.690 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.822 4.281 1.321 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.121 2.022 1.186 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.910 2.960 2.439 1.00 0.00 H new ATOM 1091 N LEU B 593 -0.084 6.262 3.325 1.00 0.00 N ATOM 1092 CA LEU B 593 1.034 7.132 3.673 1.00 0.00 C ATOM 1093 C LEU B 593 0.950 7.569 5.132 1.00 0.00 C ATOM 1094 O LEU B 593 1.970 7.709 5.809 1.00 0.00 O ATOM 1095 CB LEU B 593 1.054 8.360 2.762 1.00 0.00 C ATOM 1096 CG LEU B 593 0.557 8.143 1.332 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.696 9.421 0.519 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.318 7.003 0.671 1.00 0.00 C ATOM 0 H LEU B 593 -0.749 6.672 2.670 1.00 0.00 H new ATOM 0 HA LEU B 593 1.957 6.569 3.534 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.446 9.139 3.222 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.076 8.738 2.717 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.499 7.875 1.371 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.338 9.248 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.107 10.213 0.982 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.744 9.720 0.487 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.952 6.862 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.381 7.243 0.644 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.167 6.086 1.241 1.00 0.00 H new ATOM 1110 N LEU B 594 -0.270 7.780 5.612 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.488 8.199 6.992 1.00 0.00 C ATOM 1112 C LEU B 594 0.031 7.148 7.968 1.00 0.00 C ATOM 1113 O LEU B 594 0.222 7.427 9.152 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.977 8.451 7.240 1.00 0.00 C ATOM 1115 CG LEU B 594 -2.472 9.871 6.967 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.976 9.960 7.169 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.752 10.869 7.863 1.00 0.00 C ATOM 0 H LEU B 594 -1.124 7.668 5.066 1.00 0.00 H new ATOM 0 HA LEU B 594 0.063 9.125 7.156 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.550 7.762 6.619 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -2.199 8.204 8.278 1.00 0.00 H new ATOM 0 HG LEU B 594 -2.250 10.119 5.929 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -4.310 10.978 6.970 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -4.476 9.274 6.485 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -4.222 9.692 8.197 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -2.117 11.875 7.655 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.942 10.623 8.908 1.00 0.00 H new ATOM 0 HD23 LEU B 594 -0.680 10.825 7.669 1.00 0.00 H new ATOM 1129 N HIS B 595 0.260 5.940 7.463 1.00 0.00 N ATOM 1130 CA HIS B 595 0.761 4.848 8.290 1.00 0.00 C ATOM 1131 C HIS B 595 2.121 4.369 7.792 1.00 0.00 C ATOM 1132 O HIS B 595 2.819 3.627 8.482 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.232 3.686 8.293 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.363 3.013 9.624 1.00 0.00 C ATOM 1135 ND1 HIS B 595 0.304 1.851 9.949 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -1.088 3.347 10.718 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.007 1.498 11.184 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.849 2.389 11.673 1.00 0.00 N ATOM 0 H HIS B 595 0.107 5.693 6.485 1.00 0.00 H new ATOM 0 HA HIS B 595 0.877 5.220 9.308 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.210 4.054 7.984 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.081 2.950 7.552 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.734 4.207 10.821 1.00 0.00 H new ATOM 0 HE1 HIS B 595 0.365 0.628 11.705 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -1.256 2.369 12.608 1.00 0.00 H new ATOM 1146 N MET B 596 2.490 4.798 6.589 1.00 0.00 N ATOM 1147 CA MET B 596 3.767 4.413 5.999 1.00 0.00 C ATOM 1148 C MET B 596 4.874 5.373 6.423 1.00 0.00 C ATOM 1149 O MET B 596 6.056 5.030 6.385 1.00 0.00 O ATOM 1150 CB MET B 596 3.660 4.382 4.473 1.00 0.00 C ATOM 1151 CG MET B 596 4.836 3.699 3.795 1.00 0.00 C ATOM 1152 SD MET B 596 4.458 3.170 2.113 1.00 0.00 S ATOM 1153 CE MET B 596 3.707 4.656 1.452 1.00 0.00 C ATOM 0 H MET B 596 1.923 5.412 6.004 1.00 0.00 H new ATOM 0 HA MET B 596 4.018 3.415 6.359 1.00 0.00 H new ATOM 0 HB2 MET B 596 2.741 3.868 4.192 1.00 0.00 H new ATOM 0 HB3 MET B 596 3.580 5.404 4.102 1.00 0.00 H new ATOM 0 HG2 MET B 596 5.685 4.382 3.775 1.00 0.00 H new ATOM 0 HG3 MET B 596 5.137 2.833 4.385 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.515 4.524 0.387 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.767 4.849 1.969 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.381 5.500 1.597 1.00 0.00 H new ATOM 1163 N LEU B 597 4.483 6.577 6.827 1.00 0.00 N ATOM 1164 CA LEU B 597 5.443 7.587 7.259 1.00 0.00 C ATOM 1165 C LEU B 597 6.057 7.216 8.605 1.00 0.00 C ATOM 1166 O LEU B 597 6.974 7.881 9.084 1.00 0.00 O ATOM 1167 CB LEU B 597 4.764 8.955 7.355 1.00 0.00 C ATOM 1168 CG LEU B 597 3.929 9.203 8.612 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.014 8.020 8.886 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.831 9.470 9.808 1.00 0.00 C ATOM 0 H LEU B 597 3.509 6.877 6.864 1.00 0.00 H new ATOM 0 HA LEU B 597 6.241 7.634 6.518 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.533 9.725 7.296 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.120 9.081 6.485 1.00 0.00 H new ATOM 0 HG LEU B 597 3.310 10.085 8.446 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.427 8.214 9.784 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.343 7.875 8.039 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.614 7.122 9.032 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.219 9.644 10.693 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.476 8.608 9.977 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.444 10.349 9.612 1.00 0.00 H new ATOM 1182 N GLU B 598 5.545 6.147 9.208 1.00 0.00 N ATOM 1183 CA GLU B 598 6.045 5.687 10.499 1.00 0.00 C ATOM 1184 C GLU B 598 7.119 4.619 10.316 1.00 0.00 C ATOM 1185 O GLU B 598 7.802 4.241 11.268 1.00 0.00 O ATOM 1186 CB GLU B 598 4.898 5.133 11.346 1.00 0.00 C ATOM 1187 CG GLU B 598 3.728 6.091 11.489 1.00 0.00 C ATOM 1188 CD GLU B 598 2.934 5.858 12.759 1.00 0.00 C ATOM 1189 OE1 GLU B 598 3.177 4.833 13.430 1.00 0.00 O ATOM 1190 OE2 GLU B 598 2.070 6.700 13.083 1.00 0.00 O ATOM 0 H GLU B 598 4.786 5.584 8.824 1.00 0.00 H new ATOM 0 HA GLU B 598 6.488 6.539 11.014 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.543 4.204 10.899 1.00 0.00 H new ATOM 0 HB3 GLU B 598 5.277 4.885 12.338 1.00 0.00 H new ATOM 0 HG2 GLU B 598 4.099 7.116 11.480 1.00 0.00 H new ATOM 0 HG3 GLU B 598 3.068 5.984 10.628 1.00 0.00 H new ATOM 1197 N SER B 599 7.263 4.136 9.086 1.00 0.00 N ATOM 1198 CA SER B 599 8.251 3.108 8.779 1.00 0.00 C ATOM 1199 C SER B 599 9.445 3.706 8.042 1.00 0.00 C ATOM 1200 O SER B 599 9.305 4.365 7.011 1.00 0.00 O ATOM 1201 CB SER B 599 7.619 2.000 7.934 1.00 0.00 C ATOM 1202 OG SER B 599 7.336 0.857 8.722 1.00 0.00 O ATOM 0 H SER B 599 6.708 4.440 8.286 1.00 0.00 H new ATOM 0 HA SER B 599 8.602 2.683 9.719 1.00 0.00 H new ATOM 0 HB2 SER B 599 6.700 2.367 7.476 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.293 1.728 7.122 1.00 0.00 H new ATOM 0 HG SER B 599 6.931 0.164 8.160 1.00 0.00 H new ATOM 1208 N PRO B 600 10.650 3.473 8.583 1.00 0.00 N ATOM 1209 CA PRO B 600 11.894 3.979 7.994 1.00 0.00 C ATOM 1210 C PRO B 600 12.239 3.283 6.682 1.00 0.00 C ATOM 1211 O PRO B 600 12.549 3.935 5.686 1.00 0.00 O ATOM 1212 CB PRO B 600 12.945 3.662 9.060 1.00 0.00 C ATOM 1213 CG PRO B 600 12.383 2.508 9.815 1.00 0.00 C ATOM 1214 CD PRO B 600 10.892 2.697 9.810 1.00 0.00 C ATOM 0 HA PRO B 600 11.826 5.038 7.744 1.00 0.00 H new ATOM 0 HB2 PRO B 600 13.904 3.410 8.608 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.116 4.517 9.714 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.658 1.563 9.346 1.00 0.00 H new ATOM 0 HG3 PRO B 600 12.770 2.483 10.834 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.366 1.742 9.792 1.00 0.00 H new ATOM 0 HD3 PRO B 600 10.552 3.231 10.697 1.00 0.00 H new ATOM 1222 N GLU B 601 12.183 1.954 6.689 1.00 0.00 N ATOM 1223 CA GLU B 601 12.490 1.171 5.498 1.00 0.00 C ATOM 1224 C GLU B 601 11.434 1.386 4.418 1.00 0.00 C ATOM 1225 O GLU B 601 11.663 1.094 3.244 1.00 0.00 O ATOM 1226 CB GLU B 601 12.582 -0.316 5.849 1.00 0.00 C ATOM 1227 CG GLU B 601 13.535 -1.094 4.957 1.00 0.00 C ATOM 1228 CD GLU B 601 14.176 -2.267 5.671 1.00 0.00 C ATOM 1229 OE1 GLU B 601 13.722 -2.603 6.786 1.00 0.00 O ATOM 1230 OE2 GLU B 601 15.132 -2.849 5.118 1.00 0.00 O ATOM 0 H GLU B 601 11.928 1.398 7.505 1.00 0.00 H new ATOM 0 HA GLU B 601 13.452 1.506 5.112 1.00 0.00 H new ATOM 0 HB2 GLU B 601 12.904 -0.417 6.885 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.589 -0.759 5.779 1.00 0.00 H new ATOM 0 HG2 GLU B 601 12.994 -1.457 4.083 1.00 0.00 H new ATOM 0 HG3 GLU B 601 14.315 -0.425 4.594 1.00 0.00 H new ATOM 1237 N SER B 602 10.276 1.897 4.824 1.00 0.00 N ATOM 1238 CA SER B 602 9.183 2.147 3.892 1.00 0.00 C ATOM 1239 C SER B 602 9.358 3.495 3.198 1.00 0.00 C ATOM 1240 O SER B 602 9.310 3.585 1.971 1.00 0.00 O ATOM 1241 CB SER B 602 7.841 2.109 4.626 1.00 0.00 C ATOM 1242 OG SER B 602 7.586 0.820 5.156 1.00 0.00 O ATOM 0 H SER B 602 10.071 2.146 5.792 1.00 0.00 H new ATOM 0 HA SER B 602 9.198 1.363 3.134 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.843 2.843 5.432 1.00 0.00 H new ATOM 0 HB3 SER B 602 7.040 2.389 3.941 1.00 0.00 H new ATOM 0 HG SER B 602 6.724 0.822 5.622 1.00 0.00 H new ATOM 1248 N LEU B 603 9.560 4.540 3.993 1.00 0.00 N ATOM 1249 CA LEU B 603 9.742 5.885 3.456 1.00 0.00 C ATOM 1250 C LEU B 603 10.811 5.896 2.368 1.00 0.00 C ATOM 1251 O LEU B 603 10.528 6.206 1.210 1.00 0.00 O ATOM 1252 CB LEU B 603 10.128 6.853 4.576 1.00 0.00 C ATOM 1253 CG LEU B 603 10.826 8.141 4.138 1.00 0.00 C ATOM 1254 CD1 LEU B 603 9.971 8.897 3.132 1.00 0.00 C ATOM 1255 CD2 LEU B 603 11.135 9.017 5.343 1.00 0.00 C ATOM 0 H LEU B 603 9.602 4.483 5.011 1.00 0.00 H new ATOM 0 HA LEU B 603 8.798 6.206 3.015 1.00 0.00 H new ATOM 0 HB2 LEU B 603 9.225 7.121 5.125 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.781 6.328 5.274 1.00 0.00 H new ATOM 0 HG LEU B 603 11.767 7.875 3.656 1.00 0.00 H new ATOM 0 HD11 LEU B 603 10.484 9.811 2.832 1.00 0.00 H new ATOM 0 HD12 LEU B 603 9.802 8.271 2.256 1.00 0.00 H new ATOM 0 HD13 LEU B 603 9.014 9.151 3.587 1.00 0.00 H new ATOM 0 HD21 LEU B 603 11.632 9.929 5.012 1.00 0.00 H new ATOM 0 HD22 LEU B 603 10.207 9.274 5.854 1.00 0.00 H new ATOM 0 HD23 LEU B 603 11.788 8.476 6.028 1.00 0.00 H new ATOM 1267 N ARG B 604 12.038 5.555 2.746 1.00 0.00 N ATOM 1268 CA ARG B 604 13.148 5.525 1.802 1.00 0.00 C ATOM 1269 C ARG B 604 12.803 4.674 0.583 1.00 0.00 C ATOM 1270 O ARG B 604 13.069 5.063 -0.554 1.00 0.00 O ATOM 1271 CB ARG B 604 14.406 4.978 2.479 1.00 0.00 C ATOM 1272 CG ARG B 604 14.206 3.619 3.130 1.00 0.00 C ATOM 1273 CD ARG B 604 14.708 2.495 2.238 1.00 0.00 C ATOM 1274 NE ARG B 604 16.106 2.167 2.506 1.00 0.00 N ATOM 1275 CZ ARG B 604 16.765 1.194 1.885 1.00 0.00 C ATOM 1276 NH1 ARG B 604 16.156 0.459 0.965 1.00 0.00 N ATOM 1277 NH2 ARG B 604 18.036 0.956 2.184 1.00 0.00 N ATOM 0 H ARG B 604 12.289 5.295 3.700 1.00 0.00 H new ATOM 0 HA ARG B 604 13.337 6.546 1.469 1.00 0.00 H new ATOM 0 HB2 ARG B 604 15.203 4.903 1.739 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.739 5.688 3.236 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.732 3.590 4.084 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.148 3.469 3.345 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.092 1.609 2.390 1.00 0.00 H new ATOM 0 HD3 ARG B 604 14.597 2.784 1.193 1.00 0.00 H new ATOM 0 HE ARG B 604 16.604 2.715 3.208 1.00 0.00 H new ATOM 0 HH11 ARG B 604 15.179 0.640 0.732 1.00 0.00 H new ATOM 0 HH12 ARG B 604 16.664 -0.287 0.490 1.00 0.00 H new ATOM 0 HH21 ARG B 604 18.508 1.520 2.891 1.00 0.00 H new ATOM 0 HH22 ARG B 604 18.541 0.209 1.707 1.00 0.00 H new ATOM 1291 N SER B 605 12.208 3.511 0.829 1.00 0.00 N ATOM 1292 CA SER B 605 11.830 2.603 -0.248 1.00 0.00 C ATOM 1293 C SER B 605 10.905 3.296 -1.243 1.00 0.00 C ATOM 1294 O SER B 605 11.164 3.307 -2.447 1.00 0.00 O ATOM 1295 CB SER B 605 11.145 1.359 0.322 1.00 0.00 C ATOM 1296 OG SER B 605 10.498 0.620 -0.699 1.00 0.00 O ATOM 0 H SER B 605 11.977 3.175 1.764 1.00 0.00 H new ATOM 0 HA SER B 605 12.737 2.302 -0.771 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.883 0.729 0.819 1.00 0.00 H new ATOM 0 HB3 SER B 605 10.417 1.655 1.078 1.00 0.00 H new ATOM 0 HG SER B 605 10.069 -0.170 -0.309 1.00 0.00 H new ATOM 1302 N LYS B 606 9.823 3.875 -0.732 1.00 0.00 N ATOM 1303 CA LYS B 606 8.858 4.572 -1.573 1.00 0.00 C ATOM 1304 C LYS B 606 9.550 5.614 -2.446 1.00 0.00 C ATOM 1305 O LYS B 606 9.405 5.608 -3.669 1.00 0.00 O ATOM 1306 CB LYS B 606 7.789 5.245 -0.708 1.00 0.00 C ATOM 1307 CG LYS B 606 6.863 4.262 -0.012 1.00 0.00 C ATOM 1308 CD LYS B 606 6.112 3.400 -1.013 1.00 0.00 C ATOM 1309 CE LYS B 606 5.297 4.247 -1.978 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.501 3.409 -2.916 1.00 0.00 N ATOM 0 H LYS B 606 9.593 3.875 0.262 1.00 0.00 H new ATOM 0 HA LYS B 606 8.382 3.837 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS B 606 8.279 5.865 0.043 1.00 0.00 H new ATOM 0 HB3 LYS B 606 7.194 5.912 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS B 606 7.443 3.625 0.656 1.00 0.00 H new ATOM 0 HG3 LYS B 606 6.150 4.807 0.607 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.821 2.789 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.451 2.715 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.628 4.897 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.965 4.894 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 4.151 3.999 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.101 2.649 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.694 2.992 -2.410 1.00 0.00 H new ATOM 1324 N VAL B 607 10.303 6.506 -1.811 1.00 0.00 N ATOM 1325 CA VAL B 607 11.019 7.552 -2.531 1.00 0.00 C ATOM 1326 C VAL B 607 11.918 6.960 -3.611 1.00 0.00 C ATOM 1327 O VAL B 607 11.880 7.384 -4.766 1.00 0.00 O ATOM 1328 CB VAL B 607 11.876 8.405 -1.576 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.686 9.429 -2.356 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.998 9.085 -0.537 1.00 0.00 C ATOM 0 H VAL B 607 10.433 6.525 -0.800 1.00 0.00 H new ATOM 0 HA VAL B 607 10.266 8.187 -2.997 1.00 0.00 H new ATOM 0 HB VAL B 607 12.573 7.748 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.285 10.022 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.344 8.915 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.011 10.085 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.620 9.683 0.129 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.276 9.731 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.468 8.329 0.043 1.00 0.00 H new ATOM 1340 N ASP B 608 12.725 5.977 -3.228 1.00 0.00 N ATOM 1341 CA ASP B 608 13.633 5.324 -4.164 1.00 0.00 C ATOM 1342 C ASP B 608 12.872 4.780 -5.369 1.00 0.00 C ATOM 1343 O ASP B 608 13.223 5.060 -6.514 1.00 0.00 O ATOM 1344 CB ASP B 608 14.388 4.191 -3.468 1.00 0.00 C ATOM 1345 CG ASP B 608 15.502 3.624 -4.327 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.471 4.361 -4.604 1.00 0.00 O ATOM 1347 OD2 ASP B 608 15.404 2.444 -4.722 1.00 0.00 O ATOM 0 H ASP B 608 12.769 5.615 -2.276 1.00 0.00 H new ATOM 0 HA ASP B 608 14.350 6.066 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.807 4.559 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.688 3.395 -3.213 1.00 0.00 H new ATOM 1352 N GLU B 609 11.829 4.000 -5.101 1.00 0.00 N ATOM 1353 CA GLU B 609 11.021 3.415 -6.164 1.00 0.00 C ATOM 1354 C GLU B 609 10.511 4.494 -7.116 1.00 0.00 C ATOM 1355 O GLU B 609 10.709 4.411 -8.328 1.00 0.00 O ATOM 1356 CB GLU B 609 9.840 2.643 -5.572 1.00 0.00 C ATOM 1357 CG GLU B 609 9.380 1.479 -6.433 1.00 0.00 C ATOM 1358 CD GLU B 609 8.786 0.348 -5.616 1.00 0.00 C ATOM 1359 OE1 GLU B 609 7.725 0.561 -4.993 1.00 0.00 O ATOM 1360 OE2 GLU B 609 9.382 -0.749 -5.601 1.00 0.00 O ATOM 0 H GLU B 609 11.524 3.759 -4.158 1.00 0.00 H new ATOM 0 HA GLU B 609 11.651 2.726 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.119 2.267 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.005 3.328 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.639 1.833 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU B 609 10.225 1.101 -7.009 1.00 0.00 H new ATOM 1367 N ALA B 610 9.854 5.505 -6.558 1.00 0.00 N ATOM 1368 CA ALA B 610 9.317 6.600 -7.355 1.00 0.00 C ATOM 1369 C ALA B 610 10.381 7.176 -8.284 1.00 0.00 C ATOM 1370 O ALA B 610 10.227 7.162 -9.505 1.00 0.00 O ATOM 1371 CB ALA B 610 8.759 7.689 -6.450 1.00 0.00 C ATOM 0 H ALA B 610 9.681 5.588 -5.556 1.00 0.00 H new ATOM 0 HA ALA B 610 8.509 6.205 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.361 8.500 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.962 7.275 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.553 8.072 -5.809 1.00 0.00 H new ATOM 1377 N VAL B 611 11.461 7.682 -7.697 1.00 0.00 N ATOM 1378 CA VAL B 611 12.551 8.263 -8.472 1.00 0.00 C ATOM 1379 C VAL B 611 12.989 7.325 -9.592 1.00 0.00 C ATOM 1380 O VAL B 611 13.239 7.759 -10.716 1.00 0.00 O ATOM 1381 CB VAL B 611 13.766 8.582 -7.581 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.890 9.188 -8.407 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.364 9.514 -6.447 1.00 0.00 C ATOM 0 H VAL B 611 11.604 7.701 -6.687 1.00 0.00 H new ATOM 0 HA VAL B 611 12.173 9.190 -8.904 1.00 0.00 H new ATOM 0 HB VAL B 611 14.130 7.651 -7.145 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.740 9.407 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.195 8.483 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.542 10.110 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.234 9.729 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.975 10.444 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.595 9.037 -5.840 1.00 0.00 H new ATOM 1393 N ALA B 612 13.079 6.037 -9.277 1.00 0.00 N ATOM 1394 CA ALA B 612 13.484 5.037 -10.257 1.00 0.00 C ATOM 1395 C ALA B 612 12.527 5.013 -11.444 1.00 0.00 C ATOM 1396 O ALA B 612 12.951 4.904 -12.594 1.00 0.00 O ATOM 1397 CB ALA B 612 13.560 3.663 -9.608 1.00 0.00 C ATOM 0 H ALA B 612 12.877 5.662 -8.350 1.00 0.00 H new ATOM 0 HA ALA B 612 14.473 5.306 -10.628 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.864 2.926 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.289 3.683 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.582 3.394 -9.209 1.00 0.00 H new ATOM 1403 N VAL B 613 11.233 5.113 -11.157 1.00 0.00 N ATOM 1404 CA VAL B 613 10.215 5.103 -12.201 1.00 0.00 C ATOM 1405 C VAL B 613 10.357 6.312 -13.119 1.00 0.00 C ATOM 1406 O VAL B 613 10.284 6.189 -14.342 1.00 0.00 O ATOM 1407 CB VAL B 613 8.797 5.091 -11.602 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.751 5.165 -12.704 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.592 3.852 -10.743 1.00 0.00 C ATOM 0 H VAL B 613 10.865 5.202 -10.210 1.00 0.00 H new ATOM 0 HA VAL B 613 10.364 4.192 -12.780 1.00 0.00 H new ATOM 0 HB VAL B 613 8.683 5.969 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.755 5.155 -12.261 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.886 6.085 -13.273 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.861 4.308 -13.368 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.584 3.860 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.726 2.959 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.319 3.848 -9.931 1.00 0.00 H new ATOM 1419 N LEU B 614 10.561 7.481 -12.521 1.00 0.00 N ATOM 1420 CA LEU B 614 10.714 8.714 -13.284 1.00 0.00 C ATOM 1421 C LEU B 614 11.839 8.586 -14.307 1.00 0.00 C ATOM 1422 O LEU B 614 11.762 9.144 -15.401 1.00 0.00 O ATOM 1423 CB LEU B 614 10.996 9.888 -12.344 1.00 0.00 C ATOM 1424 CG LEU B 614 10.045 10.039 -11.157 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.504 11.168 -10.246 1.00 0.00 C ATOM 1426 CD2 LEU B 614 8.623 10.287 -11.640 1.00 0.00 C ATOM 0 H LEU B 614 10.624 7.600 -11.510 1.00 0.00 H new ATOM 0 HA LEU B 614 9.782 8.899 -13.817 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.011 9.785 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU B 614 10.968 10.809 -12.926 1.00 0.00 H new ATOM 0 HG LEU B 614 10.057 9.110 -10.586 1.00 0.00 H new ATOM 0 HD11 LEU B 614 9.815 11.261 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.504 10.950 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.522 12.103 -10.806 1.00 0.00 H new ATOM 0 HD21 LEU B 614 7.960 10.392 -10.781 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.595 11.200 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.295 9.446 -12.251 1.00 0.00 H new ATOM 1438 N GLN B 615 12.881 7.845 -13.943 1.00 0.00 N ATOM 1439 CA GLN B 615 14.021 7.642 -14.830 1.00 0.00 C ATOM 1440 C GLN B 615 13.598 6.915 -16.101 1.00 0.00 C ATOM 1441 O GLN B 615 14.317 6.921 -17.100 1.00 0.00 O ATOM 1442 CB GLN B 615 15.116 6.849 -14.114 1.00 0.00 C ATOM 1443 CG GLN B 615 16.404 7.632 -13.918 1.00 0.00 C ATOM 1444 CD GLN B 615 17.252 7.686 -15.173 1.00 0.00 C ATOM 1445 OE1 GLN B 615 16.885 8.330 -16.157 1.00 0.00 O ATOM 1446 NE2 GLN B 615 18.393 7.007 -15.147 1.00 0.00 N ATOM 0 H GLN B 615 12.959 7.376 -13.041 1.00 0.00 H new ATOM 0 HA GLN B 615 14.413 8.621 -15.107 1.00 0.00 H new ATOM 0 HB2 GLN B 615 14.744 6.528 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN B 615 15.332 5.947 -14.686 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.163 8.647 -13.603 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.982 7.178 -13.113 1.00 0.00 H new ATOM 0 HE21 GLN B 615 18.658 6.487 -14.310 1.00 0.00 H new ATOM 0 HE22 GLN B 615 19.004 7.006 -15.964 1.00 0.00 H new ATOM 1455 N ALA B 616 12.427 6.289 -16.057 1.00 0.00 N ATOM 1456 CA ALA B 616 11.907 5.558 -17.207 1.00 0.00 C ATOM 1457 C ALA B 616 11.136 6.482 -18.142 1.00 0.00 C ATOM 1458 O ALA B 616 11.095 6.263 -19.353 1.00 0.00 O ATOM 1459 CB ALA B 616 11.021 4.410 -16.746 1.00 0.00 C ATOM 0 H ALA B 616 11.820 6.273 -15.238 1.00 0.00 H new ATOM 0 HA ALA B 616 12.753 5.150 -17.760 1.00 0.00 H new ATOM 0 HB1 ALA B 616 10.640 3.873 -17.615 1.00 0.00 H new ATOM 0 HB2 ALA B 616 11.602 3.729 -16.125 1.00 0.00 H new ATOM 0 HB3 ALA B 616 10.185 4.805 -16.168 1.00 0.00 H new ATOM 1465 N HIS B 617 10.524 7.516 -17.573 1.00 0.00 N ATOM 1466 CA HIS B 617 9.753 8.475 -18.357 1.00 0.00 C ATOM 1467 C HIS B 617 10.399 9.856 -18.315 1.00 0.00 C ATOM 1468 O HIS B 617 11.027 10.287 -19.281 1.00 0.00 O ATOM 1469 CB HIS B 617 8.318 8.554 -17.837 1.00 0.00 C ATOM 1470 CG HIS B 617 7.343 7.755 -18.645 1.00 0.00 C ATOM 1471 ND1 HIS B 617 6.226 8.306 -19.237 1.00 0.00 N ATOM 1472 CD2 HIS B 617 7.323 6.439 -18.960 1.00 0.00 C ATOM 1473 CE1 HIS B 617 5.560 7.363 -19.879 1.00 0.00 C ATOM 1474 NE2 HIS B 617 6.205 6.220 -19.727 1.00 0.00 N ATOM 0 H HIS B 617 10.547 7.711 -16.572 1.00 0.00 H new ATOM 0 HA HIS B 617 9.738 8.132 -19.392 1.00 0.00 H new ATOM 0 HB2 HIS B 617 8.295 8.204 -16.805 1.00 0.00 H new ATOM 0 HB3 HIS B 617 8.001 9.597 -17.827 1.00 0.00 H new ATOM 0 HD2 HIS B 617 8.051 5.698 -18.663 1.00 0.00 H new ATOM 0 HE1 HIS B 617 4.644 7.503 -20.434 1.00 0.00 H new ATOM 0 HE2 HIS B 617 5.919 5.321 -20.116 1.00 0.00 H new ATOM 1482 N GLN B 618 10.240 10.544 -17.189 1.00 0.00 N ATOM 1483 CA GLN B 618 10.806 11.877 -17.022 1.00 0.00 C ATOM 1484 C GLN B 618 11.040 12.189 -15.547 1.00 0.00 C ATOM 1485 O GLN B 618 10.118 12.120 -14.735 1.00 0.00 O ATOM 1486 CB GLN B 618 9.881 12.929 -17.637 1.00 0.00 C ATOM 1487 CG GLN B 618 8.475 12.914 -17.061 1.00 0.00 C ATOM 1488 CD GLN B 618 7.479 13.656 -17.930 1.00 0.00 C ATOM 1489 OE1 GLN B 618 7.821 14.643 -18.581 1.00 0.00 O ATOM 1490 NE2 GLN B 618 6.239 13.183 -17.947 1.00 0.00 N ATOM 0 H GLN B 618 9.724 10.200 -16.379 1.00 0.00 H new ATOM 0 HA GLN B 618 11.766 11.902 -17.537 1.00 0.00 H new ATOM 0 HB2 GLN B 618 10.316 13.917 -17.485 1.00 0.00 H new ATOM 0 HB3 GLN B 618 9.825 12.767 -18.713 1.00 0.00 H new ATOM 0 HG2 GLN B 618 8.147 11.881 -16.940 1.00 0.00 H new ATOM 0 HG3 GLN B 618 8.489 13.362 -16.068 1.00 0.00 H new ATOM 0 HE21 GLN B 618 5.999 12.362 -17.392 1.00 0.00 H new ATOM 0 HE22 GLN B 618 5.526 13.641 -18.515 1.00 0.00 H new ATOM 1499 N ALA B 619 12.279 12.532 -15.209 1.00 0.00 N ATOM 1500 CA ALA B 619 12.633 12.856 -13.833 1.00 0.00 C ATOM 1501 C ALA B 619 13.152 14.286 -13.721 1.00 0.00 C ATOM 1502 O ALA B 619 12.447 15.178 -13.250 1.00 0.00 O ATOM 1503 CB ALA B 619 13.670 11.874 -13.310 1.00 0.00 C ATOM 0 H ALA B 619 13.054 12.593 -15.869 1.00 0.00 H new ATOM 0 HA ALA B 619 11.733 12.776 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA B 619 13.925 12.128 -12.281 1.00 0.00 H new ATOM 0 HB2 ALA B 619 13.264 10.863 -13.344 1.00 0.00 H new ATOM 0 HB3 ALA B 619 14.565 11.926 -13.929 1.00 0.00 H new ATOM 1509 N LYS B 620 14.389 14.497 -14.158 1.00 0.00 N ATOM 1510 CA LYS B 620 15.003 15.818 -14.108 1.00 0.00 C ATOM 1511 C LYS B 620 15.633 16.176 -15.450 1.00 0.00 C ATOM 1512 O LYS B 620 16.770 16.644 -15.507 1.00 0.00 O ATOM 1513 CB LYS B 620 16.063 15.869 -13.005 1.00 0.00 C ATOM 1514 CG LYS B 620 16.116 17.199 -12.273 1.00 0.00 C ATOM 1515 CD LYS B 620 17.277 18.054 -12.754 1.00 0.00 C ATOM 1516 CE LYS B 620 18.616 17.441 -12.372 1.00 0.00 C ATOM 1517 NZ LYS B 620 19.205 18.099 -11.174 1.00 0.00 N ATOM 0 H LYS B 620 14.986 13.769 -14.551 1.00 0.00 H new ATOM 0 HA LYS B 620 14.222 16.546 -13.887 1.00 0.00 H new ATOM 0 HB2 LYS B 620 15.864 15.075 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS B 620 17.040 15.665 -13.442 1.00 0.00 H new ATOM 0 HG2 LYS B 620 15.180 17.736 -12.425 1.00 0.00 H new ATOM 0 HG3 LYS B 620 16.212 17.022 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS B 620 17.223 18.167 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS B 620 17.197 19.053 -12.325 1.00 0.00 H new ATOM 0 HE2 LYS B 620 18.485 16.377 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS B 620 19.307 17.527 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 20.116 17.653 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 19.354 19.109 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 18.557 17.995 -10.367 1.00 0.00 H new ATOM 1531 N GLU B 621 14.886 15.955 -16.527 1.00 0.00 N ATOM 1532 CA GLU B 621 15.373 16.256 -17.868 1.00 0.00 C ATOM 1533 C GLU B 621 15.789 17.719 -17.981 1.00 0.00 C ATOM 1534 O GLU B 621 16.618 18.078 -18.816 1.00 0.00 O ATOM 1535 CB GLU B 621 14.296 15.939 -18.909 1.00 0.00 C ATOM 1536 CG GLU B 621 12.992 16.686 -18.682 1.00 0.00 C ATOM 1537 CD GLU B 621 12.011 15.902 -17.833 1.00 0.00 C ATOM 1538 OE1 GLU B 621 12.401 14.841 -17.301 1.00 0.00 O ATOM 1539 OE2 GLU B 621 10.852 16.349 -17.700 1.00 0.00 O ATOM 0 H GLU B 621 13.942 15.569 -16.497 1.00 0.00 H new ATOM 0 HA GLU B 621 16.247 15.632 -18.057 1.00 0.00 H new ATOM 0 HB2 GLU B 621 14.677 16.184 -19.900 1.00 0.00 H new ATOM 0 HB3 GLU B 621 14.098 14.867 -18.899 1.00 0.00 H new ATOM 0 HG2 GLU B 621 13.203 17.640 -18.199 1.00 0.00 H new ATOM 0 HG3 GLU B 621 12.534 16.911 -19.645 1.00 0.00 H new ATOM 1546 N ALA B 622 15.207 18.561 -17.133 1.00 0.00 N ATOM 1547 CA ALA B 622 15.518 19.985 -17.135 1.00 0.00 C ATOM 1548 C ALA B 622 15.333 20.585 -18.525 1.00 0.00 C ATOM 1549 O ALA B 622 16.254 21.184 -19.080 1.00 0.00 O ATOM 1550 CB ALA B 622 16.939 20.216 -16.643 1.00 0.00 C ATOM 0 H ALA B 622 14.517 18.281 -16.436 1.00 0.00 H new ATOM 0 HA ALA B 622 14.825 20.484 -16.457 1.00 0.00 H new ATOM 0 HB1 ALA B 622 17.157 21.284 -16.650 1.00 0.00 H new ATOM 0 HB2 ALA B 622 17.040 19.832 -15.628 1.00 0.00 H new ATOM 0 HB3 ALA B 622 17.640 19.698 -17.298 1.00 0.00 H new ATOM 1556 N ALA B 623 14.137 20.420 -19.081 1.00 0.00 N ATOM 1557 CA ALA B 623 13.832 20.946 -20.406 1.00 0.00 C ATOM 1558 C ALA B 623 12.437 21.562 -20.443 1.00 0.00 C ATOM 1559 O ALA B 623 11.475 20.973 -19.949 1.00 0.00 O ATOM 1560 CB ALA B 623 13.955 19.848 -21.451 1.00 0.00 C ATOM 0 H ALA B 623 13.364 19.926 -18.635 1.00 0.00 H new ATOM 0 HA ALA B 623 14.553 21.731 -20.634 1.00 0.00 H new ATOM 0 HB1 ALA B 623 13.724 20.255 -22.435 1.00 0.00 H new ATOM 0 HB2 ALA B 623 14.972 19.456 -21.449 1.00 0.00 H new ATOM 0 HB3 ALA B 623 13.257 19.044 -21.218 1.00 0.00 H new TER 1566 ALA B 623