USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 45 HIS : no HE2:sc= 0.15 K(o=-0.79,f=-4.7!) USER MOD Set 1.2: A 201 HEM CMD :methyl 150:sc= -0.944 (180deg=-0.653) USER MOD Set 2.1: A 30 TYR OH : rot -142:sc= 1.07 USER MOD Set 2.2: A 71 SER OG : rot -52:sc= 2 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.691 K(o=1.9,f=-7.5!) USER MOD Set 3.2: A 20 SER OG : rot 166:sc= 1.18 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.865 K(o=0.86,f=-0.11) USER MOD Single : A 14 LYS NZ :NH3+ -140:sc= 0.528 (180deg=-2.42!) USER MOD Single : A 16 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.4) USER MOD Single : A 17 ASN : amide:sc= 1.32 K(o=1.3,f=-9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.152 USER MOD Single : A 26 HIS : no HE2:sc= -0.557 K(o=-0.56,f=-2.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.44 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 0.298 (180deg=-1.91!) USER MOD Single : A 49 GLN : amide:sc= -0.912 K(o=-0.91,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 32:sc= 2 USER MOD Single : A 57 ASN : amide:sc= -0.393 K(o=-0.39,f=-3.4!) USER MOD Single : A 64 SER OG : rot 135:sc= 1.22 USER MOD Single : A 65 THR OG1 : rot 78:sc= 0.743 USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.12 (180deg=0.64) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -3.09 K(o=-3.1,f=-11!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0866 (180deg=-0.699) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -1.92 (180deg=-1.92) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.0531 (180deg=-0.0531) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.095 2.215 -19.076 1.00 0.00 N ATOM 2 CA ALA A 3 1.893 0.802 -18.681 1.00 0.00 C ATOM 3 C ALA A 3 2.100 0.641 -17.171 1.00 0.00 C ATOM 4 O ALA A 3 2.580 1.582 -16.548 1.00 0.00 O ATOM 5 CB ALA A 3 2.835 -0.114 -19.470 1.00 0.00 C ATOM 0 HA ALA A 3 0.869 0.512 -18.916 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.674 -1.149 -19.168 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.633 -0.012 -20.536 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.869 0.166 -19.268 1.00 0.00 H new ATOM 13 N VAL A 4 1.744 -0.515 -16.601 1.00 0.00 N ATOM 14 CA VAL A 4 1.916 -0.823 -15.181 1.00 0.00 C ATOM 15 C VAL A 4 2.450 -2.253 -15.012 1.00 0.00 C ATOM 16 O VAL A 4 2.194 -3.110 -15.855 1.00 0.00 O ATOM 17 CB VAL A 4 0.596 -0.625 -14.414 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.118 0.832 -14.488 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.518 -1.561 -14.904 1.00 0.00 C ATOM 0 H VAL A 4 1.319 -1.278 -17.128 1.00 0.00 H new ATOM 0 HA VAL A 4 2.647 -0.133 -14.759 1.00 0.00 H new ATOM 0 HB VAL A 4 0.811 -0.878 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.816 0.937 -13.936 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.873 1.485 -14.051 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.043 1.110 -15.530 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.426 -1.379 -14.329 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.713 -1.373 -15.960 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.207 -2.597 -14.772 1.00 0.00 H new ATOM 29 N LYS A 5 3.210 -2.500 -13.941 1.00 0.00 N ATOM 30 CA LYS A 5 3.851 -3.790 -13.685 1.00 0.00 C ATOM 31 C LYS A 5 2.926 -4.828 -13.066 1.00 0.00 C ATOM 32 O LYS A 5 3.032 -5.995 -13.431 1.00 0.00 O ATOM 33 CB LYS A 5 5.134 -3.563 -12.866 1.00 0.00 C ATOM 34 CG LYS A 5 5.726 -4.885 -12.355 1.00 0.00 C ATOM 35 CD LYS A 5 7.198 -4.758 -11.945 1.00 0.00 C ATOM 36 CE LYS A 5 8.137 -4.833 -13.156 1.00 0.00 C ATOM 37 NZ LYS A 5 9.553 -4.799 -12.734 1.00 0.00 N ATOM 0 H LYS A 5 3.398 -1.802 -13.221 1.00 0.00 H new ATOM 0 HA LYS A 5 4.118 -4.227 -14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.872 -3.048 -13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.915 -2.912 -12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.144 -5.232 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.634 -5.643 -13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.350 -3.812 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.449 -5.552 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.943 -5.749 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.935 -4.000 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.166 -4.851 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.741 -3.914 -12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.749 -5.608 -12.111 1.00 0.00 H new ATOM 47 N TYR A 6 2.069 -4.401 -12.136 1.00 0.00 N ATOM 48 CA TYR A 6 1.262 -5.266 -11.278 1.00 0.00 C ATOM 49 C TYR A 6 2.116 -6.020 -10.264 1.00 0.00 C ATOM 50 O TYR A 6 3.254 -6.394 -10.540 1.00 0.00 O ATOM 51 CB TYR A 6 0.421 -6.271 -12.068 1.00 0.00 C ATOM 52 CG TYR A 6 -0.525 -5.672 -13.090 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.701 -5.049 -12.652 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.266 -5.777 -14.470 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.605 -4.503 -13.575 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.200 -5.282 -15.399 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.364 -4.641 -14.948 1.00 0.00 C ATOM 58 OH TYR A 6 -3.309 -4.220 -15.831 1.00 0.00 O ATOM 0 H TYR A 6 1.914 -3.409 -11.955 1.00 0.00 H new ATOM 0 HA TYR A 6 0.585 -4.593 -10.751 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.094 -6.958 -12.581 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.162 -6.864 -11.363 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.913 -4.989 -11.595 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.648 -6.237 -14.815 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.483 -3.978 -13.229 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.021 -5.395 -16.458 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.997 -4.381 -16.746 1.00 0.00 H new ATOM 67 N TYR A 7 1.547 -6.267 -9.088 1.00 0.00 N ATOM 68 CA TYR A 7 2.162 -7.144 -8.114 1.00 0.00 C ATOM 69 C TYR A 7 1.096 -8.039 -7.505 1.00 0.00 C ATOM 70 O TYR A 7 0.148 -7.556 -6.897 1.00 0.00 O ATOM 71 CB TYR A 7 2.918 -6.329 -7.070 1.00 0.00 C ATOM 72 CG TYR A 7 3.982 -5.434 -7.664 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.246 -5.968 -7.960 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.674 -4.113 -8.046 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.268 -5.125 -8.422 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.663 -3.312 -8.640 1.00 0.00 C ATOM 77 CZ TYR A 7 5.980 -3.785 -8.723 1.00 0.00 C ATOM 78 OH TYR A 7 6.987 -2.941 -9.077 1.00 0.00 O ATOM 0 H TYR A 7 0.657 -5.867 -8.791 1.00 0.00 H new ATOM 0 HA TYR A 7 2.898 -7.787 -8.596 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.208 -5.717 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.382 -7.009 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.431 -7.024 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.682 -3.718 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.271 -5.505 -8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.410 -2.337 -9.031 1.00 0.00 H new ATOM 0 HH TYR A 7 6.620 -2.050 -9.254 1.00 0.00 H new ATOM 87 N THR A 8 1.248 -9.344 -7.698 1.00 0.00 N ATOM 88 CA THR A 8 0.349 -10.339 -7.130 1.00 0.00 C ATOM 89 C THR A 8 0.370 -10.220 -5.619 1.00 0.00 C ATOM 90 O THR A 8 1.427 -10.032 -5.017 1.00 0.00 O ATOM 91 CB THR A 8 0.768 -11.749 -7.558 1.00 0.00 C ATOM 92 OG1 THR A 8 2.096 -12.012 -7.149 1.00 0.00 O ATOM 93 CG2 THR A 8 0.689 -11.875 -9.075 1.00 0.00 C ATOM 0 H THR A 8 2.003 -9.743 -8.256 1.00 0.00 H new ATOM 0 HA THR A 8 -0.662 -10.162 -7.496 1.00 0.00 H new ATOM 0 HB THR A 8 0.093 -12.465 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.351 -12.917 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.988 -12.880 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.334 -11.689 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.356 -11.146 -9.536 1.00 0.00 H new ATOM 101 N LEU A 9 -0.799 -10.338 -5.002 1.00 0.00 N ATOM 102 CA LEU A 9 -0.980 -10.362 -3.562 1.00 0.00 C ATOM 103 C LEU A 9 0.074 -11.238 -2.876 1.00 0.00 C ATOM 104 O LEU A 9 0.568 -10.883 -1.821 1.00 0.00 O ATOM 105 CB LEU A 9 -2.345 -10.963 -3.305 1.00 0.00 C ATOM 106 CG LEU A 9 -3.061 -10.506 -2.029 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.409 -11.226 -1.934 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.274 -10.730 -0.737 1.00 0.00 C ATOM 0 H LEU A 9 -1.678 -10.423 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.885 -9.352 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.985 -10.734 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.240 -12.047 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.181 -9.426 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.928 -10.909 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.015 -10.980 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.245 -12.303 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.860 -10.376 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.067 -11.793 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.334 -10.180 -0.784 1.00 0.00 H new ATOM 119 N GLU A 10 0.415 -12.389 -3.466 1.00 0.00 N ATOM 120 CA GLU A 10 1.541 -13.201 -3.015 1.00 0.00 C ATOM 121 C GLU A 10 2.798 -12.344 -2.807 1.00 0.00 C ATOM 122 O GLU A 10 3.383 -12.366 -1.723 1.00 0.00 O ATOM 123 CB GLU A 10 1.799 -14.374 -3.981 1.00 0.00 C ATOM 124 CG GLU A 10 3.254 -14.857 -3.819 1.00 0.00 C ATOM 125 CD GLU A 10 3.508 -16.344 -3.970 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.787 -17.006 -4.742 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.448 -16.771 -3.256 1.00 0.00 O ATOM 0 H GLU A 10 -0.082 -12.779 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 10 1.281 -13.629 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.107 -15.190 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.620 -14.059 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.868 -14.333 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.604 -14.552 -2.833 1.00 0.00 H new ATOM 132 N GLU A 11 3.226 -11.599 -3.827 1.00 0.00 N ATOM 133 CA GLU A 11 4.345 -10.688 -3.668 1.00 0.00 C ATOM 134 C GLU A 11 4.003 -9.657 -2.610 1.00 0.00 C ATOM 135 O GLU A 11 4.740 -9.494 -1.649 1.00 0.00 O ATOM 136 CB GLU A 11 4.725 -10.008 -4.992 1.00 0.00 C ATOM 137 CG GLU A 11 6.157 -9.443 -4.933 1.00 0.00 C ATOM 138 CD GLU A 11 7.242 -10.514 -4.833 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.588 -10.887 -3.690 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.715 -10.933 -5.911 1.00 0.00 O ATOM 0 H GLU A 11 2.815 -11.612 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 11 5.215 -11.263 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.647 -10.726 -5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.022 -9.203 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.336 -8.840 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.239 -8.776 -4.075 1.00 0.00 H new ATOM 145 N ILE A 12 2.843 -9.010 -2.722 1.00 0.00 N ATOM 146 CA ILE A 12 2.444 -8.022 -1.723 1.00 0.00 C ATOM 147 C ILE A 12 2.590 -8.549 -0.286 1.00 0.00 C ATOM 148 O ILE A 12 3.137 -7.854 0.569 1.00 0.00 O ATOM 149 CB ILE A 12 1.052 -7.424 -2.007 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.800 -7.081 -3.489 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.905 -6.118 -1.229 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.599 -6.517 -3.733 1.00 0.00 C ATOM 0 H ILE A 12 2.175 -9.149 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 12 3.146 -7.193 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 12 0.337 -8.191 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.543 -6.356 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.937 -7.978 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.077 -5.687 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.009 -6.316 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.678 -5.417 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.721 -6.293 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.345 -7.251 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.730 -5.604 -3.152 1.00 0.00 H new ATOM 163 N GLN A 13 2.223 -9.809 -0.030 1.00 0.00 N ATOM 164 CA GLN A 13 2.397 -10.404 1.297 1.00 0.00 C ATOM 165 C GLN A 13 3.844 -10.376 1.789 1.00 0.00 C ATOM 166 O GLN A 13 4.091 -10.248 2.987 1.00 0.00 O ATOM 167 CB GLN A 13 1.901 -11.851 1.297 1.00 0.00 C ATOM 168 CG GLN A 13 0.387 -11.913 1.540 1.00 0.00 C ATOM 169 CD GLN A 13 0.002 -11.595 2.982 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.097 -12.447 3.856 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.449 -10.381 3.264 1.00 0.00 N ATOM 0 H GLN A 13 1.806 -10.433 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 13 1.807 -9.794 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.139 -12.321 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.421 -12.417 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.112 -11.210 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.024 -12.908 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.523 -9.680 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.722 -10.147 4.219 1.00 0.00 H new ATOM 178 N LYS A 14 4.810 -10.505 0.879 1.00 0.00 N ATOM 179 CA LYS A 14 6.214 -10.498 1.238 1.00 0.00 C ATOM 180 C LYS A 14 6.677 -9.107 1.730 1.00 0.00 C ATOM 181 O LYS A 14 7.727 -9.005 2.366 1.00 0.00 O ATOM 182 CB LYS A 14 7.056 -10.956 0.032 1.00 0.00 C ATOM 183 CG LYS A 14 7.296 -12.467 -0.081 1.00 0.00 C ATOM 184 CD LYS A 14 6.106 -13.245 -0.660 1.00 0.00 C ATOM 185 CE LYS A 14 6.512 -14.715 -0.843 1.00 0.00 C ATOM 186 NZ LYS A 14 5.376 -15.590 -1.211 1.00 0.00 N ATOM 0 H LYS A 14 4.635 -10.616 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 14 6.357 -11.192 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.565 -10.616 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.024 -10.456 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.170 -12.640 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.530 -12.863 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.247 -13.172 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.804 -12.816 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.278 -14.781 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.959 -15.080 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.457 -16.495 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.482 -15.126 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.390 -15.765 -2.236 1.00 0.00 H new ATOM 196 N HIS A 15 5.931 -8.033 1.430 1.00 0.00 N ATOM 197 CA HIS A 15 6.285 -6.655 1.768 1.00 0.00 C ATOM 198 C HIS A 15 5.349 -6.074 2.843 1.00 0.00 C ATOM 199 O HIS A 15 4.373 -5.396 2.523 1.00 0.00 O ATOM 200 CB HIS A 15 6.225 -5.801 0.500 1.00 0.00 C ATOM 201 CG HIS A 15 7.169 -6.192 -0.612 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.352 -5.573 -0.941 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.889 -7.066 -1.624 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.796 -6.097 -2.093 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.939 -7.021 -2.545 1.00 0.00 N ATOM 0 H HIS A 15 5.043 -8.106 0.933 1.00 0.00 H new ATOM 0 HA HIS A 15 7.295 -6.647 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.207 -5.834 0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.428 -4.766 0.774 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.007 -7.685 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.714 -5.814 -2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.034 -7.581 -3.393 1.00 0.00 H new ATOM 212 N ASN A 16 5.659 -6.296 4.124 1.00 0.00 N ATOM 213 CA ASN A 16 4.793 -5.878 5.228 1.00 0.00 C ATOM 214 C ASN A 16 5.516 -5.416 6.507 1.00 0.00 C ATOM 215 O ASN A 16 4.916 -5.451 7.579 1.00 0.00 O ATOM 216 CB ASN A 16 3.802 -7.011 5.523 1.00 0.00 C ATOM 217 CG ASN A 16 4.466 -8.256 6.101 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.685 -8.352 6.203 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.667 -9.237 6.492 1.00 0.00 N ATOM 0 H ASN A 16 6.513 -6.768 4.423 1.00 0.00 H new ATOM 0 HA ASN A 16 4.277 -4.978 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.047 -6.652 6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.282 -7.279 4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.063 -10.091 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.656 -9.139 6.399 1.00 0.00 H new ATOM 225 N ASN A 17 6.776 -4.964 6.439 1.00 0.00 N ATOM 226 CA ASN A 17 7.479 -4.496 7.640 1.00 0.00 C ATOM 227 C ASN A 17 8.674 -3.591 7.281 1.00 0.00 C ATOM 228 O ASN A 17 8.718 -3.067 6.175 1.00 0.00 O ATOM 229 CB ASN A 17 7.877 -5.723 8.491 1.00 0.00 C ATOM 230 CG ASN A 17 8.022 -5.396 9.974 1.00 0.00 C ATOM 231 OD1 ASN A 17 8.203 -4.242 10.351 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.955 -6.395 10.839 1.00 0.00 N ATOM 0 H ASN A 17 7.322 -4.913 5.579 1.00 0.00 H new ATOM 0 HA ASN A 17 6.818 -3.868 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.126 -6.503 8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.819 -6.126 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.054 -6.212 11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.804 -7.348 10.507 1.00 0.00 H new ATOM 238 N SER A 18 9.665 -3.438 8.172 1.00 0.00 N ATOM 239 CA SER A 18 10.974 -2.823 7.902 1.00 0.00 C ATOM 240 C SER A 18 11.504 -3.231 6.520 1.00 0.00 C ATOM 241 O SER A 18 11.973 -2.396 5.751 1.00 0.00 O ATOM 242 CB SER A 18 11.944 -3.271 8.999 1.00 0.00 C ATOM 243 OG SER A 18 11.914 -4.687 9.085 1.00 0.00 O ATOM 0 H SER A 18 9.573 -3.751 9.138 1.00 0.00 H new ATOM 0 HA SER A 18 10.875 -1.737 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.954 -2.928 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.663 -2.829 9.955 1.00 0.00 H new ATOM 0 HG SER A 18 12.533 -4.985 9.784 1.00 0.00 H new ATOM 248 N LYS A 19 11.383 -4.533 6.232 1.00 0.00 N ATOM 249 CA LYS A 19 11.499 -5.194 4.931 1.00 0.00 C ATOM 250 C LYS A 19 11.188 -4.239 3.774 1.00 0.00 C ATOM 251 O LYS A 19 11.985 -4.023 2.864 1.00 0.00 O ATOM 252 CB LYS A 19 10.415 -6.292 4.964 1.00 0.00 C ATOM 253 CG LYS A 19 10.064 -6.997 3.646 1.00 0.00 C ATOM 254 CD LYS A 19 11.247 -7.438 2.775 1.00 0.00 C ATOM 255 CE LYS A 19 10.678 -8.095 1.506 1.00 0.00 C ATOM 256 NZ LYS A 19 11.713 -8.305 0.474 1.00 0.00 N ATOM 0 H LYS A 19 11.184 -5.208 6.970 1.00 0.00 H new ATOM 0 HA LYS A 19 12.511 -5.567 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.733 -7.054 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.501 -5.848 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.463 -7.877 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.436 -6.328 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.870 -6.582 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.880 -8.140 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.227 -9.053 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.884 -7.469 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.284 -8.750 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.126 -7.389 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.459 -8.924 0.851 1.00 0.00 H new ATOM 266 N SER A 20 9.961 -3.742 3.868 1.00 0.00 N ATOM 267 CA SER A 20 9.223 -2.821 3.017 1.00 0.00 C ATOM 268 C SER A 20 7.735 -2.973 3.358 1.00 0.00 C ATOM 269 O SER A 20 7.333 -4.059 3.777 1.00 0.00 O ATOM 270 CB SER A 20 9.472 -3.092 1.531 1.00 0.00 C ATOM 271 OG SER A 20 9.230 -4.465 1.299 1.00 0.00 O ATOM 0 H SER A 20 9.379 -4.018 4.659 1.00 0.00 H new ATOM 0 HA SER A 20 9.560 -1.801 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.815 -2.478 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.496 -2.833 1.261 1.00 0.00 H new ATOM 0 HG SER A 20 9.158 -4.626 0.335 1.00 0.00 H new ATOM 276 N THR A 21 6.925 -1.930 3.166 1.00 0.00 N ATOM 277 CA THR A 21 5.504 -1.919 3.545 1.00 0.00 C ATOM 278 C THR A 21 4.630 -1.641 2.332 1.00 0.00 C ATOM 279 O THR A 21 4.481 -0.479 1.951 1.00 0.00 O ATOM 280 CB THR A 21 5.237 -0.887 4.660 1.00 0.00 C ATOM 281 OG1 THR A 21 5.670 -1.426 5.891 1.00 0.00 O ATOM 282 CG2 THR A 21 3.761 -0.497 4.808 1.00 0.00 C ATOM 0 H THR A 21 7.237 -1.058 2.739 1.00 0.00 H new ATOM 0 HA THR A 21 5.249 -2.905 3.933 1.00 0.00 H new ATOM 0 HB THR A 21 5.783 0.014 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.236 -0.948 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.656 0.232 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.404 -0.061 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.172 -1.384 5.043 1.00 0.00 H new ATOM 290 N TRP A 22 4.039 -2.699 1.763 1.00 0.00 N ATOM 291 CA TRP A 22 3.107 -2.600 0.650 1.00 0.00 C ATOM 292 C TRP A 22 1.655 -2.704 1.056 1.00 0.00 C ATOM 293 O TRP A 22 1.274 -3.556 1.845 1.00 0.00 O ATOM 294 CB TRP A 22 3.393 -3.628 -0.442 1.00 0.00 C ATOM 295 CG TRP A 22 4.655 -3.521 -1.228 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.723 -2.739 -0.971 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.983 -4.251 -2.441 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.654 -2.892 -1.975 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.240 -3.799 -2.927 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.322 -5.236 -3.195 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.767 -4.261 -4.144 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.941 -5.846 -4.289 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.114 -5.300 -4.818 1.00 0.00 C ATOM 0 H TRP A 22 4.202 -3.657 2.072 1.00 0.00 H new ATOM 0 HA TRP A 22 3.272 -1.597 0.256 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.379 -4.614 0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.563 -3.597 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.832 -2.093 -0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.543 -2.394 -2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.318 -5.526 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.664 -3.821 -4.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.514 -6.737 -4.725 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.516 -5.679 -5.746 1.00 0.00 H new ATOM 313 N LEU A 23 0.811 -1.851 0.491 1.00 0.00 N ATOM 314 CA LEU A 23 -0.576 -1.827 0.848 1.00 0.00 C ATOM 315 C LEU A 23 -1.421 -1.582 -0.387 1.00 0.00 C ATOM 316 O LEU A 23 -0.881 -1.146 -1.396 1.00 0.00 O ATOM 317 CB LEU A 23 -0.789 -0.813 1.968 1.00 0.00 C ATOM 318 CG LEU A 23 0.231 0.234 2.410 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.082 1.575 1.743 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.118 0.397 3.936 1.00 0.00 C ATOM 0 H LEU A 23 1.078 -1.169 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.899 -2.791 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.690 -0.259 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.024 -1.396 2.858 1.00 0.00 H new ATOM 0 HG LEU A 23 1.235 -0.081 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.648 2.319 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.036 1.462 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.081 1.901 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.838 1.141 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.890 0.723 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.326 -0.557 4.420 1.00 0.00 H new ATOM 331 N ILE A 24 -2.716 -1.898 -0.330 1.00 0.00 N ATOM 332 CA ILE A 24 -3.613 -1.684 -1.462 1.00 0.00 C ATOM 333 C ILE A 24 -4.632 -0.618 -1.091 1.00 0.00 C ATOM 334 O ILE A 24 -5.416 -0.815 -0.160 1.00 0.00 O ATOM 335 CB ILE A 24 -4.285 -2.968 -1.987 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.263 -4.020 -2.436 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.199 -2.621 -3.166 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.853 -5.427 -2.286 1.00 0.00 C ATOM 0 H ILE A 24 -3.166 -2.304 0.491 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.006 -1.340 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.861 -3.394 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.981 -3.844 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.354 -3.933 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.674 -3.529 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.965 -1.918 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.609 -2.168 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.119 -6.166 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.112 -5.604 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.748 -5.514 -2.902 1.00 0.00 H new ATOM 349 N LEU A 25 -4.604 0.513 -1.800 1.00 0.00 N ATOM 350 CA LEU A 25 -5.625 1.540 -1.671 1.00 0.00 C ATOM 351 C LEU A 25 -6.324 1.621 -3.032 1.00 0.00 C ATOM 352 O LEU A 25 -5.753 2.116 -4.002 1.00 0.00 O ATOM 353 CB LEU A 25 -5.077 2.889 -1.156 1.00 0.00 C ATOM 354 CG LEU A 25 -3.876 2.851 -0.193 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.656 4.247 0.404 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.042 1.902 0.996 1.00 0.00 C ATOM 0 H LEU A 25 -3.873 0.736 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.347 1.276 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.795 3.489 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.891 3.413 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.041 2.499 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.806 4.221 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.457 4.958 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.549 4.555 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.149 1.940 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.909 2.204 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.187 0.885 0.632 1.00 0.00 H new ATOM 367 N HIS A 26 -7.536 1.069 -3.129 1.00 0.00 N ATOM 368 CA HIS A 26 -8.373 1.114 -4.328 1.00 0.00 C ATOM 369 C HIS A 26 -7.765 0.281 -5.482 1.00 0.00 C ATOM 370 O HIS A 26 -7.547 0.797 -6.575 1.00 0.00 O ATOM 371 CB HIS A 26 -8.640 2.586 -4.718 1.00 0.00 C ATOM 372 CG HIS A 26 -8.870 3.531 -3.554 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.024 3.644 -2.811 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.940 4.370 -2.991 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.786 4.525 -1.823 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.532 5.004 -1.893 1.00 0.00 N ATOM 0 H HIS A 26 -7.972 0.566 -2.356 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.335 0.649 -4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.793 2.950 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.512 2.620 -5.370 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.900 3.149 -2.979 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.927 4.515 -3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.508 4.810 -1.072 1.00 0.00 H new ATOM 383 N TYR A 27 -7.421 -0.993 -5.227 1.00 0.00 N ATOM 384 CA TYR A 27 -6.699 -1.897 -6.140 1.00 0.00 C ATOM 385 C TYR A 27 -5.227 -1.542 -6.369 1.00 0.00 C ATOM 386 O TYR A 27 -4.454 -2.403 -6.791 1.00 0.00 O ATOM 387 CB TYR A 27 -7.359 -2.037 -7.513 1.00 0.00 C ATOM 388 CG TYR A 27 -8.845 -2.331 -7.508 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.310 -3.538 -6.953 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.742 -1.481 -8.181 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.643 -3.938 -7.145 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.087 -1.864 -8.336 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.531 -3.097 -7.833 1.00 0.00 C ATOM 394 OH TYR A 27 -12.817 -3.488 -8.037 1.00 0.00 O ATOM 0 H TYR A 27 -7.649 -1.441 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.749 -2.844 -5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.193 -1.115 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.853 -2.834 -8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.640 -4.159 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.399 -0.537 -8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.983 -4.890 -6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.779 -1.208 -8.843 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.297 -2.789 -8.528 1.00 0.00 H new ATOM 403 N LYS A 28 -4.841 -0.285 -6.134 1.00 0.00 N ATOM 404 CA LYS A 28 -3.501 0.183 -6.410 1.00 0.00 C ATOM 405 C LYS A 28 -2.569 -0.133 -5.246 1.00 0.00 C ATOM 406 O LYS A 28 -2.976 0.015 -4.098 1.00 0.00 O ATOM 407 CB LYS A 28 -3.536 1.661 -6.787 1.00 0.00 C ATOM 408 CG LYS A 28 -4.034 1.767 -8.233 1.00 0.00 C ATOM 409 CD LYS A 28 -4.109 3.232 -8.645 1.00 0.00 C ATOM 410 CE LYS A 28 -4.281 3.323 -10.165 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.649 4.684 -10.596 1.00 0.00 N ATOM 0 H LYS A 28 -5.457 0.429 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.090 -0.348 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.195 2.211 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.544 2.103 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.362 1.226 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.016 1.303 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.944 3.720 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.203 3.755 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.353 3.026 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.050 2.620 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.756 4.704 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.547 4.958 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.904 5.351 -10.312 1.00 0.00 H new ATOM 421 N VAL A 29 -1.347 -0.586 -5.552 1.00 0.00 N ATOM 422 CA VAL A 29 -0.340 -1.038 -4.586 1.00 0.00 C ATOM 423 C VAL A 29 0.596 0.118 -4.226 1.00 0.00 C ATOM 424 O VAL A 29 1.019 0.868 -5.110 1.00 0.00 O ATOM 425 CB VAL A 29 0.493 -2.220 -5.103 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.455 -2.700 -4.010 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.361 -3.440 -5.405 1.00 0.00 C ATOM 0 H VAL A 29 -1.021 -0.650 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.882 -1.379 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 29 0.995 -1.855 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.042 -3.538 -4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.123 -1.886 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.885 -3.018 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.274 -4.248 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.873 -3.760 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.098 -3.188 -6.167 1.00 0.00 H new ATOM 437 N TYR A 30 0.922 0.254 -2.939 1.00 0.00 N ATOM 438 CA TYR A 30 1.558 1.387 -2.339 1.00 0.00 C ATOM 439 C TYR A 30 2.689 0.937 -1.407 1.00 0.00 C ATOM 440 O TYR A 30 2.382 0.304 -0.408 1.00 0.00 O ATOM 441 CB TYR A 30 0.409 1.962 -1.521 1.00 0.00 C ATOM 442 CG TYR A 30 -0.453 3.007 -2.162 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.405 2.605 -3.104 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.604 4.240 -1.521 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.420 3.478 -3.509 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.634 5.105 -1.906 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.471 4.775 -2.978 1.00 0.00 C ATOM 448 OH TYR A 30 -3.303 5.719 -3.495 1.00 0.00 O ATOM 0 H TYR A 30 0.728 -0.482 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 30 2.009 2.080 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.235 1.135 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.828 2.387 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.356 1.611 -3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.074 4.525 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.160 3.155 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.784 6.032 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.852 6.589 -3.492 1.00 0.00 H new ATOM 457 N ASP A 31 3.938 1.311 -1.699 1.00 0.00 N ATOM 458 CA ASP A 31 5.182 0.918 -1.003 1.00 0.00 C ATOM 459 C ASP A 31 5.728 2.109 -0.221 1.00 0.00 C ATOM 460 O ASP A 31 6.280 3.048 -0.797 1.00 0.00 O ATOM 461 CB ASP A 31 6.272 0.418 -1.959 1.00 0.00 C ATOM 462 CG ASP A 31 7.522 -0.081 -1.218 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.663 0.182 0.000 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.297 -0.813 -1.871 1.00 0.00 O ATOM 0 H ASP A 31 4.127 1.939 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 31 4.922 0.094 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.871 -0.389 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.553 1.224 -2.637 1.00 0.00 H new ATOM 468 N LEU A 32 5.533 2.082 1.092 1.00 0.00 N ATOM 469 CA LEU A 32 5.698 3.290 1.897 1.00 0.00 C ATOM 470 C LEU A 32 7.001 3.347 2.680 1.00 0.00 C ATOM 471 O LEU A 32 7.717 4.341 2.592 1.00 0.00 O ATOM 472 CB LEU A 32 4.427 3.460 2.726 1.00 0.00 C ATOM 473 CG LEU A 32 3.220 3.228 1.800 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.950 3.782 2.397 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.239 4.001 0.491 1.00 0.00 C ATOM 0 H LEU A 32 5.264 1.250 1.618 1.00 0.00 H new ATOM 0 HA LEU A 32 5.812 4.158 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.414 2.751 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.387 4.458 3.161 1.00 0.00 H new ATOM 0 HG LEU A 32 3.267 2.149 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.118 3.600 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.752 3.292 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.061 4.855 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.344 3.764 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.264 5.070 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.123 3.723 -0.083 1.00 0.00 H new ATOM 486 N THR A 33 7.292 2.284 3.429 1.00 0.00 N ATOM 487 CA THR A 33 8.557 1.944 4.090 1.00 0.00 C ATOM 488 C THR A 33 9.317 3.047 4.853 1.00 0.00 C ATOM 489 O THR A 33 9.562 2.884 6.043 1.00 0.00 O ATOM 490 CB THR A 33 9.427 1.185 3.082 1.00 0.00 C ATOM 491 OG1 THR A 33 8.635 0.184 2.454 1.00 0.00 O ATOM 492 CG2 THR A 33 10.579 0.516 3.832 1.00 0.00 C ATOM 0 H THR A 33 6.584 1.571 3.606 1.00 0.00 H new ATOM 0 HA THR A 33 8.282 1.318 4.939 1.00 0.00 H new ATOM 0 HB THR A 33 9.821 1.871 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.368 0.490 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.206 -0.028 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.176 1.277 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.178 -0.178 4.570 1.00 0.00 H new ATOM 500 N LYS A 34 9.716 4.154 4.223 1.00 0.00 N ATOM 501 CA LYS A 34 10.174 5.323 4.972 1.00 0.00 C ATOM 502 C LYS A 34 8.994 6.119 5.497 1.00 0.00 C ATOM 503 O LYS A 34 9.062 6.674 6.585 1.00 0.00 O ATOM 504 CB LYS A 34 10.922 6.324 4.092 1.00 0.00 C ATOM 505 CG LYS A 34 12.199 5.809 3.452 1.00 0.00 C ATOM 506 CD LYS A 34 13.160 6.979 3.167 1.00 0.00 C ATOM 507 CE LYS A 34 12.528 8.200 2.463 1.00 0.00 C ATOM 508 NZ LYS A 34 11.940 9.192 3.402 1.00 0.00 N ATOM 0 H LYS A 34 9.731 4.264 3.209 1.00 0.00 H new ATOM 0 HA LYS A 34 10.812 4.920 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.250 6.659 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.166 7.199 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.679 5.087 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.965 5.287 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.593 7.309 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.981 6.611 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.288 8.693 1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.752 7.854 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.091 10.152 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.920 9.015 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.397 9.103 4.332 1.00 0.00 H new ATOM 518 N PHE A 35 7.925 6.228 4.707 1.00 0.00 N ATOM 519 CA PHE A 35 6.837 7.145 5.046 1.00 0.00 C ATOM 520 C PHE A 35 6.206 6.777 6.388 1.00 0.00 C ATOM 521 O PHE A 35 5.683 7.619 7.101 1.00 0.00 O ATOM 522 CB PHE A 35 5.855 7.266 3.883 1.00 0.00 C ATOM 523 CG PHE A 35 4.683 8.189 4.142 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.901 9.574 4.243 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.378 7.677 4.257 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.825 10.445 4.480 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.298 8.549 4.474 1.00 0.00 C ATOM 528 CZ PHE A 35 2.522 9.933 4.592 1.00 0.00 C ATOM 0 H PHE A 35 7.790 5.703 3.843 1.00 0.00 H new ATOM 0 HA PHE A 35 7.235 8.149 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.394 7.622 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.473 6.274 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.900 9.970 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.206 6.614 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.999 11.507 4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.295 8.157 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.692 10.601 4.769 1.00 0.00 H new ATOM 537 N LEU A 36 6.365 5.508 6.752 1.00 0.00 N ATOM 538 CA LEU A 36 6.197 4.944 8.078 1.00 0.00 C ATOM 539 C LEU A 36 6.633 5.946 9.179 1.00 0.00 C ATOM 540 O LEU A 36 5.879 6.245 10.100 1.00 0.00 O ATOM 541 CB LEU A 36 7.094 3.689 8.040 1.00 0.00 C ATOM 542 CG LEU A 36 6.638 2.604 7.050 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.205 1.253 7.514 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.125 2.428 6.937 1.00 0.00 C ATOM 0 H LEU A 36 6.635 4.797 6.072 1.00 0.00 H new ATOM 0 HA LEU A 36 5.161 4.709 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.109 3.992 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.133 3.256 9.040 1.00 0.00 H new ATOM 0 HG LEU A 36 7.002 2.927 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.892 0.470 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.294 1.303 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.832 1.026 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.903 1.641 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.717 2.154 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.674 3.363 6.605 1.00 0.00 H new ATOM 555 N GLU A 37 7.843 6.491 9.033 1.00 0.00 N ATOM 556 CA GLU A 37 8.501 7.489 9.877 1.00 0.00 C ATOM 557 C GLU A 37 7.775 8.849 9.906 1.00 0.00 C ATOM 558 O GLU A 37 7.649 9.501 10.939 1.00 0.00 O ATOM 559 CB GLU A 37 9.902 7.698 9.266 1.00 0.00 C ATOM 560 CG GLU A 37 10.975 8.090 10.293 1.00 0.00 C ATOM 561 CD GLU A 37 12.316 8.420 9.640 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.644 7.768 8.624 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.993 9.326 10.170 1.00 0.00 O ATOM 0 H GLU A 37 8.440 6.220 8.251 1.00 0.00 H new ATOM 0 HA GLU A 37 8.514 7.127 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.210 6.780 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.843 8.474 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.630 8.953 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.111 7.273 11.002 1.00 0.00 H new ATOM 568 N GLU A 38 7.348 9.279 8.720 1.00 0.00 N ATOM 569 CA GLU A 38 6.873 10.614 8.371 1.00 0.00 C ATOM 570 C GLU A 38 5.390 10.819 8.723 1.00 0.00 C ATOM 571 O GLU A 38 4.962 11.878 9.179 1.00 0.00 O ATOM 572 CB GLU A 38 7.099 10.766 6.854 1.00 0.00 C ATOM 573 CG GLU A 38 8.516 10.341 6.408 1.00 0.00 C ATOM 574 CD GLU A 38 8.784 10.424 4.907 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.087 11.206 4.228 1.00 0.00 O ATOM 576 OE2 GLU A 38 9.684 9.679 4.447 1.00 0.00 O ATOM 0 H GLU A 38 7.324 8.652 7.916 1.00 0.00 H new ATOM 0 HA GLU A 38 7.416 11.368 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.361 10.166 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.931 11.805 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.244 10.967 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.689 9.315 6.734 1.00 0.00 H new ATOM 581 N HIS A 39 4.602 9.788 8.438 1.00 0.00 N ATOM 582 CA HIS A 39 3.146 9.755 8.495 1.00 0.00 C ATOM 583 C HIS A 39 2.566 10.077 9.887 1.00 0.00 C ATOM 584 O HIS A 39 2.824 9.340 10.839 1.00 0.00 O ATOM 585 CB HIS A 39 2.714 8.351 8.061 1.00 0.00 C ATOM 586 CG HIS A 39 1.227 8.131 8.066 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.584 7.088 8.686 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.300 8.830 7.343 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.708 7.157 8.322 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.942 8.218 7.522 1.00 0.00 N ATOM 0 H HIS A 39 4.991 8.893 8.141 1.00 0.00 H new ATOM 0 HA HIS A 39 2.759 10.533 7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.094 8.161 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.180 7.620 8.722 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.006 6.394 9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.495 9.704 6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.465 6.451 8.631 1.00 0.00 H new ATOM 597 N PRO A 40 1.706 11.104 10.027 1.00 0.00 N ATOM 598 CA PRO A 40 1.108 11.474 11.309 1.00 0.00 C ATOM 599 C PRO A 40 0.172 10.395 11.873 1.00 0.00 C ATOM 600 O PRO A 40 0.022 10.284 13.086 1.00 0.00 O ATOM 601 CB PRO A 40 0.396 12.807 11.064 1.00 0.00 C ATOM 602 CG PRO A 40 0.057 12.744 9.577 1.00 0.00 C ATOM 603 CD PRO A 40 1.249 12.005 8.980 1.00 0.00 C ATOM 0 HA PRO A 40 1.873 11.572 12.079 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.499 12.906 11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.038 13.657 11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.877 12.212 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.056 13.739 9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.962 11.454 8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.036 12.700 8.688 1.00 0.00 H new ATOM 608 N GLY A 41 -0.427 9.564 11.013 1.00 0.00 N ATOM 609 CA GLY A 41 -1.150 8.366 11.447 1.00 0.00 C ATOM 610 C GLY A 41 -0.241 7.327 12.132 1.00 0.00 C ATOM 611 O GLY A 41 -0.743 6.402 12.766 1.00 0.00 O ATOM 0 H GLY A 41 -0.424 9.703 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.943 8.657 12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.631 7.906 10.584 1.00 0.00 H new ATOM 615 N GLY A 42 1.086 7.455 11.986 1.00 0.00 N ATOM 616 CA GLY A 42 2.085 6.574 12.571 1.00 0.00 C ATOM 617 C GLY A 42 2.520 5.513 11.564 1.00 0.00 C ATOM 618 O GLY A 42 1.821 5.267 10.574 1.00 0.00 O ATOM 0 H GLY A 42 1.500 8.207 11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.949 7.156 12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.678 6.094 13.461 1.00 0.00 H new ATOM 622 N GLU A 43 3.654 4.856 11.824 1.00 0.00 N ATOM 623 CA GLU A 43 4.030 3.691 11.043 1.00 0.00 C ATOM 624 C GLU A 43 3.164 2.507 11.372 1.00 0.00 C ATOM 625 O GLU A 43 2.713 1.785 10.482 1.00 0.00 O ATOM 626 CB GLU A 43 5.457 3.200 11.318 1.00 0.00 C ATOM 627 CG GLU A 43 5.963 3.092 12.764 1.00 0.00 C ATOM 628 CD GLU A 43 7.427 2.668 12.781 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.678 1.570 12.233 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.251 3.432 13.317 1.00 0.00 O ATOM 0 H GLU A 43 4.314 5.111 12.559 1.00 0.00 H new ATOM 0 HA GLU A 43 3.925 4.028 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.554 2.213 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.137 3.864 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.849 4.051 13.269 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.361 2.369 13.314 1.00 0.00 H new ATOM 635 N GLU A 44 2.966 2.286 12.671 1.00 0.00 N ATOM 636 CA GLU A 44 2.465 1.008 13.094 1.00 0.00 C ATOM 637 C GLU A 44 1.089 0.762 12.488 1.00 0.00 C ATOM 638 O GLU A 44 0.751 -0.336 12.078 1.00 0.00 O ATOM 639 CB GLU A 44 2.386 0.882 14.624 1.00 0.00 C ATOM 640 CG GLU A 44 3.721 0.972 15.384 1.00 0.00 C ATOM 641 CD GLU A 44 4.651 -0.216 15.166 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.376 -1.018 14.244 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.650 -0.293 15.906 1.00 0.00 O ATOM 0 H GLU A 44 3.142 2.960 13.416 1.00 0.00 H new ATOM 0 HA GLU A 44 3.170 0.256 12.741 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.726 1.664 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.918 -0.073 14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.237 1.883 15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.513 1.064 16.450 1.00 0.00 H new ATOM 648 N HIS A 45 0.314 1.836 12.379 1.00 0.00 N ATOM 649 CA HIS A 45 -1.010 1.842 11.794 1.00 0.00 C ATOM 650 C HIS A 45 -1.022 1.528 10.292 1.00 0.00 C ATOM 651 O HIS A 45 -2.015 1.008 9.781 1.00 0.00 O ATOM 652 CB HIS A 45 -1.615 3.207 12.124 1.00 0.00 C ATOM 653 CG HIS A 45 -3.107 3.304 11.934 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.900 2.462 11.188 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.919 4.257 12.485 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.164 2.912 11.275 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.224 4.008 12.049 1.00 0.00 N ATOM 0 H HIS A 45 0.607 2.756 12.709 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.612 1.037 12.216 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.379 3.452 13.160 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.134 3.961 11.501 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.586 1.645 10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.608 5.058 13.139 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.014 2.455 10.790 1.00 0.00 H new ATOM 664 N LEU A 46 0.076 1.811 9.590 1.00 0.00 N ATOM 665 CA LEU A 46 0.281 1.355 8.221 1.00 0.00 C ATOM 666 C LEU A 46 0.754 -0.100 8.238 1.00 0.00 C ATOM 667 O LEU A 46 0.316 -0.901 7.418 1.00 0.00 O ATOM 668 CB LEU A 46 1.314 2.245 7.511 1.00 0.00 C ATOM 669 CG LEU A 46 0.912 3.725 7.416 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.074 4.539 6.837 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.309 3.910 6.517 1.00 0.00 C ATOM 0 H LEU A 46 0.849 2.365 9.959 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.660 1.421 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.264 2.172 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.478 1.860 6.505 1.00 0.00 H new ATOM 0 HG LEU A 46 0.667 4.070 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.786 5.588 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.945 4.442 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.319 4.167 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.569 4.967 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.081 3.547 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.149 3.348 6.924 1.00 0.00 H new ATOM 682 N ARG A 47 1.621 -0.454 9.189 1.00 0.00 N ATOM 683 CA ARG A 47 2.227 -1.785 9.273 1.00 0.00 C ATOM 684 C ARG A 47 1.158 -2.846 9.527 1.00 0.00 C ATOM 685 O ARG A 47 1.106 -3.881 8.872 1.00 0.00 O ATOM 686 CB ARG A 47 3.283 -1.776 10.379 1.00 0.00 C ATOM 687 CG ARG A 47 4.011 -3.127 10.480 1.00 0.00 C ATOM 688 CD ARG A 47 5.051 -3.156 11.606 1.00 0.00 C ATOM 689 NE ARG A 47 6.304 -2.478 11.218 1.00 0.00 N ATOM 690 CZ ARG A 47 6.678 -1.224 11.491 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.968 -0.413 12.249 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.813 -0.738 11.013 1.00 0.00 N ATOM 0 H ARG A 47 1.925 0.180 9.928 1.00 0.00 H new ATOM 0 HA ARG A 47 2.708 -2.035 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.008 -0.986 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.809 -1.546 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.279 -3.918 10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.503 -3.342 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.638 -2.676 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.266 -4.190 11.874 1.00 0.00 H new ATOM 0 HE ARG A 47 6.965 -3.034 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.090 -0.734 12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.296 0.536 12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.412 -1.322 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.088 0.220 11.228 1.00 0.00 H new ATOM 703 N GLU A 48 0.290 -2.519 10.475 1.00 0.00 N ATOM 704 CA GLU A 48 -0.955 -3.207 10.809 1.00 0.00 C ATOM 705 C GLU A 48 -1.714 -3.676 9.557 1.00 0.00 C ATOM 706 O GLU A 48 -2.114 -4.832 9.449 1.00 0.00 O ATOM 707 CB GLU A 48 -1.803 -2.228 11.637 1.00 0.00 C ATOM 708 CG GLU A 48 -3.163 -2.795 12.087 1.00 0.00 C ATOM 709 CD GLU A 48 -3.073 -3.938 13.095 1.00 0.00 C ATOM 710 OE1 GLU A 48 -2.022 -4.046 13.760 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.085 -4.662 13.199 1.00 0.00 O ATOM 0 H GLU A 48 0.446 -1.709 11.075 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.737 -4.111 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.236 -1.930 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.975 -1.326 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.752 -1.988 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.705 -3.145 11.208 1.00 0.00 H new ATOM 716 N GLN A 49 -1.900 -2.764 8.598 1.00 0.00 N ATOM 717 CA GLN A 49 -2.546 -3.067 7.326 1.00 0.00 C ATOM 718 C GLN A 49 -1.616 -3.768 6.333 1.00 0.00 C ATOM 719 O GLN A 49 -2.053 -4.571 5.516 1.00 0.00 O ATOM 720 CB GLN A 49 -2.983 -1.765 6.658 1.00 0.00 C ATOM 721 CG GLN A 49 -4.064 -0.961 7.376 1.00 0.00 C ATOM 722 CD GLN A 49 -5.234 -1.839 7.784 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.951 -2.352 6.943 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.439 -2.042 9.078 1.00 0.00 N ATOM 0 H GLN A 49 -1.604 -1.792 8.687 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.382 -3.726 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.105 -1.129 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.341 -1.999 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.639 -0.486 8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.418 -0.162 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.827 -1.603 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.208 -2.637 9.385 1.00 0.00 H new ATOM 731 N ALA A 50 -0.350 -3.355 6.338 1.00 0.00 N ATOM 732 CA ALA A 50 0.642 -3.698 5.334 1.00 0.00 C ATOM 733 C ALA A 50 0.699 -5.186 4.957 1.00 0.00 C ATOM 734 O ALA A 50 0.391 -6.094 5.726 1.00 0.00 O ATOM 735 CB ALA A 50 2.022 -3.263 5.818 1.00 0.00 C ATOM 0 H ALA A 50 0.022 -2.750 7.071 1.00 0.00 H new ATOM 0 HA ALA A 50 0.336 -3.169 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.769 -3.519 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.027 -2.185 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.258 -3.773 6.752 1.00 0.00 H new ATOM 741 N GLY A 51 1.172 -5.409 3.738 1.00 0.00 N ATOM 742 CA GLY A 51 1.134 -6.682 3.031 1.00 0.00 C ATOM 743 C GLY A 51 -0.129 -6.826 2.178 1.00 0.00 C ATOM 744 O GLY A 51 -0.579 -7.941 1.906 1.00 0.00 O ATOM 0 H GLY A 51 1.614 -4.671 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.014 -6.769 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.180 -7.499 3.752 1.00 0.00 H new ATOM 748 N GLY A 52 -0.667 -5.688 1.730 1.00 0.00 N ATOM 749 CA GLY A 52 -1.855 -5.586 0.892 1.00 0.00 C ATOM 750 C GLY A 52 -3.136 -5.239 1.656 1.00 0.00 C ATOM 751 O GLY A 52 -3.429 -5.800 2.705 1.00 0.00 O ATOM 0 H GLY A 52 -0.266 -4.777 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.683 -4.826 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.001 -6.533 0.372 1.00 0.00 H new ATOM 755 N ASP A 53 -3.895 -4.317 1.060 1.00 0.00 N ATOM 756 CA ASP A 53 -5.182 -3.796 1.483 1.00 0.00 C ATOM 757 C ASP A 53 -5.202 -2.943 2.763 1.00 0.00 C ATOM 758 O ASP A 53 -4.906 -3.381 3.869 1.00 0.00 O ATOM 759 CB ASP A 53 -6.320 -4.805 1.346 1.00 0.00 C ATOM 760 CG ASP A 53 -7.688 -4.113 1.372 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.725 -2.863 1.232 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.684 -4.852 1.497 1.00 0.00 O ATOM 0 H ASP A 53 -3.590 -3.881 0.190 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.394 -3.028 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.208 -5.358 0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.263 -5.532 2.156 1.00 0.00 H new ATOM 766 N ALA A 54 -5.561 -1.681 2.550 1.00 0.00 N ATOM 767 CA ALA A 54 -5.894 -0.682 3.547 1.00 0.00 C ATOM 768 C ALA A 54 -6.902 0.272 2.916 1.00 0.00 C ATOM 769 O ALA A 54 -6.947 1.449 3.253 1.00 0.00 O ATOM 770 CB ALA A 54 -4.597 0.036 3.911 1.00 0.00 C ATOM 0 H ALA A 54 -5.630 -1.307 1.604 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.331 -1.108 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.802 0.799 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.883 -0.684 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.179 0.506 3.021 1.00 0.00 H new ATOM 776 N THR A 55 -7.699 -0.216 1.962 1.00 0.00 N ATOM 777 CA THR A 55 -8.546 0.634 1.141 1.00 0.00 C ATOM 778 C THR A 55 -9.693 1.181 1.985 1.00 0.00 C ATOM 779 O THR A 55 -9.920 2.391 2.054 1.00 0.00 O ATOM 780 CB THR A 55 -9.053 -0.192 -0.044 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.993 -0.546 -0.903 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.041 0.633 -0.868 1.00 0.00 C ATOM 0 H THR A 55 -7.771 -1.209 1.742 1.00 0.00 H new ATOM 0 HA THR A 55 -7.988 1.488 0.757 1.00 0.00 H new ATOM 0 HB THR A 55 -9.525 -1.087 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.171 -0.654 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.398 0.039 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.886 0.920 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.545 1.529 -1.241 1.00 0.00 H new ATOM 790 N GLU A 56 -10.379 0.268 2.672 1.00 0.00 N ATOM 791 CA GLU A 56 -11.417 0.625 3.626 1.00 0.00 C ATOM 792 C GLU A 56 -10.791 1.433 4.766 1.00 0.00 C ATOM 793 O GLU A 56 -11.270 2.500 5.134 1.00 0.00 O ATOM 794 CB GLU A 56 -12.088 -0.665 4.113 1.00 0.00 C ATOM 795 CG GLU A 56 -13.263 -0.372 5.058 1.00 0.00 C ATOM 796 CD GLU A 56 -14.007 -1.644 5.446 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.563 -2.285 6.423 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.994 -1.955 4.747 1.00 0.00 O ATOM 0 H GLU A 56 -10.228 -0.737 2.580 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.184 1.251 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.444 -1.236 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.354 -1.286 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.893 0.121 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.953 0.320 4.576 1.00 0.00 H new ATOM 803 N ASN A 57 -9.655 0.945 5.268 1.00 0.00 N ATOM 804 CA ASN A 57 -8.944 1.476 6.427 1.00 0.00 C ATOM 805 C ASN A 57 -8.485 2.922 6.181 1.00 0.00 C ATOM 806 O ASN A 57 -8.484 3.750 7.087 1.00 0.00 O ATOM 807 CB ASN A 57 -7.820 0.484 6.794 1.00 0.00 C ATOM 808 CG ASN A 57 -8.400 -0.929 6.816 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.589 -1.532 5.765 1.00 0.00 O ATOM 810 ND2 ASN A 57 -8.749 -1.445 7.987 1.00 0.00 N ATOM 0 H ASN A 57 -9.188 0.135 4.859 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.598 1.556 7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.008 0.548 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.398 0.734 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.186 -2.366 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.580 -0.921 8.846 1.00 0.00 H new ATOM 816 N PHE A 58 -8.130 3.228 4.931 1.00 0.00 N ATOM 817 CA PHE A 58 -7.865 4.569 4.430 1.00 0.00 C ATOM 818 C PHE A 58 -9.149 5.413 4.347 1.00 0.00 C ATOM 819 O PHE A 58 -9.205 6.468 4.969 1.00 0.00 O ATOM 820 CB PHE A 58 -7.167 4.426 3.072 1.00 0.00 C ATOM 821 CG PHE A 58 -6.700 5.684 2.364 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.807 6.561 3.009 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.836 5.744 0.965 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.027 7.455 2.252 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.014 6.593 0.204 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.112 7.457 0.850 1.00 0.00 C ATOM 0 H PHE A 58 -8.016 2.513 4.213 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.215 5.108 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.299 3.782 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.849 3.902 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.721 6.548 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.578 5.133 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.360 8.142 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.075 6.582 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.487 8.120 0.270 1.00 0.00 H new ATOM 835 N GLU A 59 -10.168 4.979 3.587 1.00 0.00 N ATOM 836 CA GLU A 59 -11.350 5.787 3.283 1.00 0.00 C ATOM 837 C GLU A 59 -12.263 6.025 4.502 1.00 0.00 C ATOM 838 O GLU A 59 -12.920 7.059 4.599 1.00 0.00 O ATOM 839 CB GLU A 59 -12.104 5.230 2.067 1.00 0.00 C ATOM 840 CG GLU A 59 -12.874 6.356 1.337 1.00 0.00 C ATOM 841 CD GLU A 59 -11.967 7.307 0.561 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.534 6.920 -0.543 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.600 8.391 1.066 1.00 0.00 O ATOM 0 H GLU A 59 -10.190 4.050 3.166 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.990 6.780 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.400 4.760 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.801 4.456 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.592 5.908 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.446 6.927 2.068 1.00 0.00 H new ATOM 848 N ASP A 60 -12.272 5.095 5.463 1.00 0.00 N ATOM 849 CA ASP A 60 -12.897 5.253 6.773 1.00 0.00 C ATOM 850 C ASP A 60 -12.539 6.618 7.393 1.00 0.00 C ATOM 851 O ASP A 60 -13.408 7.429 7.711 1.00 0.00 O ATOM 852 CB ASP A 60 -12.423 4.075 7.630 1.00 0.00 C ATOM 853 CG ASP A 60 -12.997 4.138 9.034 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.157 3.704 9.195 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.264 4.634 9.915 1.00 0.00 O ATOM 0 H ASP A 60 -11.829 4.184 5.343 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.985 5.244 6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.719 3.138 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.334 4.077 7.681 1.00 0.00 H new ATOM 859 N VAL A 61 -11.235 6.892 7.467 1.00 0.00 N ATOM 860 CA VAL A 61 -10.662 8.196 7.790 1.00 0.00 C ATOM 861 C VAL A 61 -10.166 8.846 6.482 1.00 0.00 C ATOM 862 O VAL A 61 -9.038 9.323 6.381 1.00 0.00 O ATOM 863 CB VAL A 61 -9.595 8.004 8.889 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.466 7.041 8.490 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.015 9.327 9.404 1.00 0.00 C ATOM 0 H VAL A 61 -10.523 6.182 7.296 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.388 8.893 8.208 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.140 7.538 9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.754 6.955 9.311 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.886 6.059 8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.956 7.424 7.606 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.271 9.123 10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.546 9.864 8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.815 9.936 9.825 1.00 0.00 H new ATOM 875 N GLY A 62 -11.021 8.837 5.453 1.00 0.00 N ATOM 876 CA GLY A 62 -10.673 9.172 4.077 1.00 0.00 C ATOM 877 C GLY A 62 -9.957 10.511 3.911 1.00 0.00 C ATOM 878 O GLY A 62 -10.506 11.582 4.160 1.00 0.00 O ATOM 0 H GLY A 62 -12.004 8.588 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.038 8.383 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.584 9.185 3.478 1.00 0.00 H new ATOM 882 N HIS A 63 -8.692 10.415 3.496 1.00 0.00 N ATOM 883 CA HIS A 63 -7.735 11.505 3.491 1.00 0.00 C ATOM 884 CB HIS A 63 -6.356 10.902 3.262 1.00 0.00 C ATOM 885 CG HIS A 63 -5.820 10.064 4.386 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.506 9.312 5.314 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.499 9.981 4.684 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.595 8.774 6.146 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.355 9.151 5.790 1.00 0.00 N ATOM 0 H HIS A 63 -8.300 9.542 3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.392 10.289 2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.652 11.712 3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.517 9.186 5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.698 10.474 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.828 8.130 6.982 1.00 0.00 H new ATOM 896 N SER A 64 -7.355 13.738 2.654 1.00 0.00 N ATOM 897 CA SER A 64 -7.355 14.915 1.790 1.00 0.00 C ATOM 898 C SER A 64 -6.778 14.656 0.392 1.00 0.00 C ATOM 899 O SER A 64 -5.972 13.747 0.177 1.00 0.00 O ATOM 900 CB SER A 64 -6.537 16.019 2.480 1.00 0.00 C ATOM 901 OG SER A 64 -7.102 16.333 3.738 1.00 0.00 O ATOM 0 HA SER A 64 -8.394 15.209 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.506 15.691 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.512 16.910 1.852 1.00 0.00 H new ATOM 0 HG SER A 64 -6.391 16.396 4.409 1.00 0.00 H new ATOM 906 N THR A 65 -7.151 15.530 -0.548 1.00 0.00 N ATOM 907 CA THR A 65 -6.579 15.664 -1.887 1.00 0.00 C ATOM 908 C THR A 65 -5.070 15.478 -1.860 1.00 0.00 C ATOM 909 O THR A 65 -4.537 14.524 -2.407 1.00 0.00 O ATOM 910 CB THR A 65 -6.908 17.085 -2.389 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.113 17.977 -1.292 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.207 17.067 -3.191 1.00 0.00 C ATOM 0 H THR A 65 -7.903 16.200 -0.383 1.00 0.00 H new ATOM 0 HA THR A 65 -6.998 14.901 -2.543 1.00 0.00 H new ATOM 0 HB THR A 65 -6.068 17.417 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.246 18.239 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.432 18.074 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.097 16.401 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.021 16.713 -2.558 1.00 0.00 H new ATOM 920 N ASP A 66 -4.412 16.360 -1.126 1.00 0.00 N ATOM 921 CA ASP A 66 -3.020 16.400 -0.736 1.00 0.00 C ATOM 922 C ASP A 66 -2.403 14.998 -0.586 1.00 0.00 C ATOM 923 O ASP A 66 -1.388 14.673 -1.197 1.00 0.00 O ATOM 924 CB ASP A 66 -3.001 17.193 0.582 1.00 0.00 C ATOM 925 CG ASP A 66 -3.699 18.550 0.480 1.00 0.00 C ATOM 926 OD1 ASP A 66 -4.924 18.535 0.194 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.000 19.563 0.685 1.00 0.00 O ATOM 0 H ASP A 66 -4.909 17.165 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.405 16.873 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.483 16.602 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.967 17.346 0.891 1.00 0.00 H new ATOM 931 N ALA A 67 -3.044 14.142 0.211 1.00 0.00 N ATOM 932 CA ALA A 67 -2.575 12.787 0.485 1.00 0.00 C ATOM 933 C ALA A 67 -2.728 11.874 -0.739 1.00 0.00 C ATOM 934 O ALA A 67 -1.830 11.104 -1.083 1.00 0.00 O ATOM 935 CB ALA A 67 -3.351 12.226 1.677 1.00 0.00 C ATOM 0 H ALA A 67 -3.914 14.375 0.689 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.511 12.826 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.008 11.214 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.184 12.857 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.415 12.207 1.442 1.00 0.00 H new ATOM 941 N ARG A 68 -3.872 11.965 -1.417 1.00 0.00 N ATOM 942 CA ARG A 68 -4.128 11.240 -2.657 1.00 0.00 C ATOM 943 C ARG A 68 -3.098 11.622 -3.732 1.00 0.00 C ATOM 944 O ARG A 68 -2.436 10.755 -4.306 1.00 0.00 O ATOM 945 CB ARG A 68 -5.587 11.504 -3.091 1.00 0.00 C ATOM 946 CG ARG A 68 -6.579 10.495 -2.493 1.00 0.00 C ATOM 947 CD ARG A 68 -6.916 10.703 -1.006 1.00 0.00 C ATOM 948 NE ARG A 68 -7.404 9.426 -0.451 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.660 9.073 -0.162 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.539 9.921 0.356 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.036 7.827 -0.411 1.00 0.00 N ATOM 0 H ARG A 68 -4.652 12.549 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.012 10.167 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.874 12.511 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.650 11.467 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.505 10.537 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.171 9.492 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.034 11.040 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.674 11.478 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.690 8.722 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.266 10.885 0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.488 9.609 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.373 7.165 -0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.989 7.530 -0.200 1.00 0.00 H new ATOM 962 N GLU A 69 -2.913 12.923 -3.943 1.00 0.00 N ATOM 963 CA GLU A 69 -1.995 13.528 -4.892 1.00 0.00 C ATOM 964 C GLU A 69 -0.539 13.261 -4.502 1.00 0.00 C ATOM 965 O GLU A 69 0.315 13.089 -5.367 1.00 0.00 O ATOM 966 CB GLU A 69 -2.330 15.020 -4.981 1.00 0.00 C ATOM 967 CG GLU A 69 -3.701 15.181 -5.659 1.00 0.00 C ATOM 968 CD GLU A 69 -4.159 16.628 -5.743 1.00 0.00 C ATOM 969 OE1 GLU A 69 -3.404 17.426 -6.338 1.00 0.00 O ATOM 970 OE2 GLU A 69 -5.264 16.894 -5.224 1.00 0.00 O ATOM 0 H GLU A 69 -3.437 13.624 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.112 13.083 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.347 15.463 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.563 15.546 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.654 14.762 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.442 14.603 -5.107 1.00 0.00 H new ATOM 975 N LEU A 70 -0.251 13.151 -3.204 1.00 0.00 N ATOM 976 CA LEU A 70 1.038 12.659 -2.740 1.00 0.00 C ATOM 977 C LEU A 70 1.232 11.219 -3.198 1.00 0.00 C ATOM 978 O LEU A 70 2.279 10.837 -3.714 1.00 0.00 O ATOM 979 CB LEU A 70 1.153 12.690 -1.198 1.00 0.00 C ATOM 980 CG LEU A 70 2.495 12.168 -0.670 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.707 12.627 -1.461 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.734 12.605 0.773 1.00 0.00 C ATOM 0 H LEU A 70 -0.899 13.398 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 70 1.801 13.314 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.010 13.714 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.347 12.093 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 70 2.402 11.086 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.611 12.210 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.619 12.285 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.762 13.715 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.694 12.218 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.741 13.694 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.938 12.216 1.408 1.00 0.00 H new ATOM 993 N SER A 71 0.202 10.390 -3.031 1.00 0.00 N ATOM 994 CA SER A 71 0.390 8.960 -3.110 1.00 0.00 C ATOM 995 C SER A 71 0.812 8.421 -4.469 1.00 0.00 C ATOM 996 O SER A 71 1.388 7.338 -4.548 1.00 0.00 O ATOM 997 CB SER A 71 -0.803 8.217 -2.527 1.00 0.00 C ATOM 998 OG SER A 71 -1.895 8.146 -3.429 1.00 0.00 O ATOM 0 H SER A 71 -0.755 10.688 -2.843 1.00 0.00 H new ATOM 0 HA SER A 71 1.261 8.758 -2.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.498 7.208 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.124 8.714 -1.612 1.00 0.00 H new ATOM 0 HG SER A 71 -2.110 9.045 -3.753 1.00 0.00 H new ATOM 1003 N LYS A 72 0.659 9.218 -5.525 1.00 0.00 N ATOM 1004 CA LYS A 72 1.277 8.894 -6.809 1.00 0.00 C ATOM 1005 C LYS A 72 2.824 8.868 -6.745 1.00 0.00 C ATOM 1006 O LYS A 72 3.456 8.626 -7.772 1.00 0.00 O ATOM 1007 CB LYS A 72 0.745 9.824 -7.905 1.00 0.00 C ATOM 1008 CG LYS A 72 0.973 11.301 -7.566 1.00 0.00 C ATOM 1009 CD LYS A 72 1.614 12.123 -8.697 1.00 0.00 C ATOM 1010 CE LYS A 72 3.135 11.949 -8.847 1.00 0.00 C ATOM 1011 NZ LYS A 72 3.518 10.681 -9.507 1.00 0.00 N ATOM 0 H LYS A 72 0.119 10.083 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 72 0.989 7.875 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.236 9.589 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.321 9.645 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.016 11.752 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.609 11.364 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.138 11.850 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.400 13.178 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.534 12.785 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.597 11.991 -7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.427 10.805 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.610 9.931 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.787 10.414 -10.196 1.00 0.00 H new ATOM 1021 N THR A 73 3.435 9.159 -5.585 1.00 0.00 N ATOM 1022 CA THR A 73 4.856 8.955 -5.272 1.00 0.00 C ATOM 1023 C THR A 73 5.120 7.686 -4.455 1.00 0.00 C ATOM 1024 O THR A 73 6.231 7.168 -4.424 1.00 0.00 O ATOM 1025 CB THR A 73 5.438 10.194 -4.556 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.795 10.356 -4.904 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.381 10.128 -3.019 1.00 0.00 C ATOM 0 H THR A 73 2.923 9.564 -4.801 1.00 0.00 H new ATOM 0 HA THR A 73 5.365 8.818 -6.226 1.00 0.00 H new ATOM 0 HB THR A 73 4.814 11.025 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.158 11.144 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.810 11.038 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.344 10.034 -2.697 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.949 9.265 -2.671 1.00 0.00 H new ATOM 1035 N PHE A 74 4.078 7.195 -3.789 1.00 0.00 N ATOM 1036 CA PHE A 74 4.084 6.038 -2.908 1.00 0.00 C ATOM 1037 C PHE A 74 3.637 4.783 -3.641 1.00 0.00 C ATOM 1038 O PHE A 74 3.954 3.665 -3.245 1.00 0.00 O ATOM 1039 CB PHE A 74 3.120 6.350 -1.774 1.00 0.00 C ATOM 1040 CG PHE A 74 3.658 7.287 -0.710 1.00 0.00 C ATOM 1041 CD1 PHE A 74 5.014 7.277 -0.309 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.771 8.187 -0.104 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.509 8.302 0.517 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.245 9.114 0.828 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.616 9.255 1.034 1.00 0.00 C ATOM 0 H PHE A 74 3.154 7.622 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 74 5.092 5.848 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.216 6.787 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.829 5.414 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.669 6.483 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.721 8.164 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.562 8.356 0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.549 9.721 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.993 10.099 1.593 1.00 0.00 H new ATOM 1054 N ILE A 75 2.847 4.976 -4.689 1.00 0.00 N ATOM 1055 CA ILE A 75 2.336 3.893 -5.495 1.00 0.00 C ATOM 1056 C ILE A 75 3.449 3.219 -6.290 1.00 0.00 C ATOM 1057 O ILE A 75 4.392 3.863 -6.745 1.00 0.00 O ATOM 1058 CB ILE A 75 1.265 4.472 -6.435 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.053 4.405 -5.662 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.171 3.783 -7.809 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.237 4.709 -6.558 1.00 0.00 C ATOM 0 H ILE A 75 2.545 5.899 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 75 1.902 3.127 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 75 1.532 5.495 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.170 3.413 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.028 5.116 -4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.390 4.259 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.126 3.873 -8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.931 2.729 -7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.157 4.653 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.131 5.711 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.275 3.982 -7.369 1.00 0.00 H new ATOM 1072 N ILE A 76 3.260 1.922 -6.520 1.00 0.00 N ATOM 1073 CA ILE A 76 4.064 1.125 -7.438 1.00 0.00 C ATOM 1074 C ILE A 76 3.235 0.555 -8.607 1.00 0.00 C ATOM 1075 O ILE A 76 3.789 0.256 -9.663 1.00 0.00 O ATOM 1076 CB ILE A 76 4.821 0.046 -6.655 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.831 -0.882 -5.941 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.785 0.697 -5.651 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.579 -1.999 -5.209 1.00 0.00 C ATOM 0 H ILE A 76 2.525 1.384 -6.061 1.00 0.00 H new ATOM 0 HA ILE A 76 4.800 1.776 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 76 5.408 -0.552 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.234 -0.310 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.139 -1.313 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.317 -0.080 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.503 1.319 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.220 1.314 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.862 -2.649 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.156 -2.581 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.252 -1.563 -4.471 1.00 0.00 H new ATOM 1090 N GLY A 77 1.912 0.427 -8.442 1.00 0.00 N ATOM 1091 CA GLY A 77 0.988 0.069 -9.518 1.00 0.00 C ATOM 1092 C GLY A 77 -0.305 -0.538 -8.975 1.00 0.00 C ATOM 1093 O GLY A 77 -0.987 0.126 -8.202 1.00 0.00 O ATOM 0 H GLY A 77 1.450 0.572 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.754 0.956 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.470 -0.642 -10.190 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.626 -1.784 -9.346 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.884 -2.470 -9.046 1.00 0.00 C ATOM 1099 C GLU A 78 -1.663 -3.877 -8.488 1.00 0.00 C ATOM 1100 O GLU A 78 -0.625 -4.503 -8.694 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.733 -2.584 -10.321 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.354 -1.268 -10.823 1.00 0.00 C ATOM 1103 CD GLU A 78 -2.378 -0.266 -11.430 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -1.273 -0.687 -11.829 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -2.775 0.917 -11.493 1.00 0.00 O ATOM 0 H GLU A 78 0.014 -2.365 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.394 -1.876 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.111 -2.998 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.536 -3.298 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.112 -1.507 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.867 -0.788 -9.989 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.692 -4.412 -7.832 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.647 -5.720 -7.175 1.00 0.00 C ATOM 1112 C LEU A 79 -2.708 -6.923 -8.090 1.00 0.00 C ATOM 1113 O LEU A 79 -2.839 -8.020 -7.580 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.675 -5.766 -6.030 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.953 -6.607 -6.274 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.943 -7.747 -5.264 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.213 -5.783 -6.033 1.00 0.00 C ATOM 0 H LEU A 79 -3.593 -3.943 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.645 -5.812 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.177 -6.154 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.979 -4.744 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.958 -6.960 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.830 -8.365 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.051 -8.355 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.941 -7.338 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.092 -6.402 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.224 -5.428 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.225 -4.930 -6.711 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.578 -6.703 -9.398 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.683 -7.677 -10.470 1.00 0.00 C ATOM 1130 C HIS A 80 -4.132 -8.039 -10.778 1.00 0.00 C ATOM 1131 O HIS A 80 -5.033 -7.790 -9.978 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.794 -8.866 -10.154 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.541 -9.868 -11.220 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.929 -11.177 -11.257 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.699 -9.641 -12.262 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.425 -11.696 -12.395 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.663 -10.796 -13.043 1.00 0.00 N ATOM 0 H HIS A 80 -2.382 -5.768 -9.756 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.318 -7.240 -11.400 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.829 -8.480 -9.827 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.232 -9.390 -9.304 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.490 -11.666 -10.560 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.154 -8.728 -12.452 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.609 -12.702 -12.741 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.428 -8.534 -11.985 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.763 -8.987 -12.293 1.00 0.00 C ATOM 1146 C PRO A 81 -5.965 -10.463 -11.982 1.00 0.00 C ATOM 1147 O PRO A 81 -7.094 -10.920 -12.119 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.919 -8.762 -13.787 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.518 -8.546 -14.365 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.587 -8.655 -13.168 1.00 0.00 C ATOM 0 HA PRO A 81 -6.495 -8.448 -11.692 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.400 -9.620 -14.256 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.552 -7.896 -13.981 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.281 -9.295 -15.121 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.433 -7.571 -14.845 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.057 -9.608 -13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.831 -7.870 -13.190 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.928 -11.188 -11.547 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.177 -12.604 -11.163 1.00 0.00 C ATOM 1157 C ASP A 82 -5.365 -12.679 -9.640 1.00 0.00 C ATOM 1158 O ASP A 82 -5.049 -13.662 -8.972 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.063 -13.502 -11.726 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.431 -14.977 -11.817 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.599 -15.268 -12.150 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.504 -15.793 -11.626 1.00 0.00 O ATOM 0 H ASP A 82 -3.967 -10.859 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.098 -12.986 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.793 -13.145 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.178 -13.399 -11.099 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.918 -11.578 -9.127 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.861 -11.160 -7.767 1.00 0.00 C ATOM 1168 C ASP A 83 -7.154 -10.416 -7.375 1.00 0.00 C ATOM 1169 O ASP A 83 -7.782 -10.730 -6.365 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.641 -10.244 -7.922 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.333 -10.991 -7.697 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -2.888 -11.072 -6.534 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.787 -11.472 -8.720 1.00 0.00 O ATOM 0 H ASP A 83 -6.447 -10.927 -9.707 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.781 -11.921 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.641 -9.806 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.714 -9.420 -7.212 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.533 -9.422 -8.188 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.820 -8.727 -8.143 1.00 0.00 C ATOM 1179 C ARG A 84 -10.028 -9.647 -8.376 1.00 0.00 C ATOM 1180 O ARG A 84 -11.062 -9.395 -7.717 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.812 -7.640 -9.223 1.00 0.00 C ATOM 1182 CG ARG A 84 -7.917 -6.480 -8.795 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.734 -5.457 -9.912 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.763 -5.935 -10.915 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.386 -5.219 -11.984 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.862 -3.995 -12.174 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.535 -5.700 -12.878 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.928 -10.527 -9.259 1.00 0.00 O ATOM 0 H ARG A 84 -6.924 -9.067 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.931 -8.315 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.455 -8.056 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.827 -7.282 -9.396 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.350 -5.991 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.943 -6.866 -8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.693 -5.263 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.392 -4.512 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.356 -6.862 -10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.519 -3.594 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.571 -3.456 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.149 -6.637 -12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.265 -5.133 -13.682 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.639 8.762 6.628 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.533 11.395 8.701 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.058 11.047 4.496 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.224 6.275 4.301 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.136 6.534 8.847 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.270 10.821 6.647 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.800 11.677 7.558 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.596 13.017 7.073 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.773 12.935 5.976 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.646 11.533 5.655 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.270 14.102 5.163 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.428 14.207 7.494 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.899 14.079 7.098 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.210 14.556 5.675 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.606 13.713 4.841 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.083 15.776 5.441 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.769 8.672 4.780 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.146 9.710 4.122 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.646 9.198 2.872 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.969 7.864 2.845 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.725 7.544 4.022 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.038 10.015 1.762 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.105 6.795 2.231 1.00 0.00 C HETATM 1223 CBB HEM A 201 0.008 6.634 0.904 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.163 6.782 6.548 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.890 5.959 5.483 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.391 4.647 5.805 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.862 4.725 7.095 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.755 6.081 7.568 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.373 3.435 4.903 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.124 3.541 7.992 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.171 2.721 7.765 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.594 8.931 8.494 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.094 7.887 9.214 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.628 8.436 10.442 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.542 9.810 10.354 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.841 10.109 9.130 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.238 7.657 11.578 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.015 10.824 11.380 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.485 10.743 11.777 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.816 11.766 12.856 1.00 0.00 C HETATM 1241 O1D HEM A 201 -7.139 11.322 13.978 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.719 12.970 12.539 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.380 13.803 4.610 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.023 14.929 5.828 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.043 14.418 4.463 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.695 9.412 1.226 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.452 10.893 2.183 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -0.821 10.332 1.073 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.300 2.532 5.509 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -2.515 3.493 4.233 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -4.291 3.405 4.316 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.065 8.185 12.516 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.780 6.669 11.629 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.310 7.552 11.413 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 0.646 5.846 0.503 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -0.538 7.291 0.227 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.348 1.869 8.421 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -5.840 2.910 6.925 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.504 14.651 7.801 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.200 13.036 7.193 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.014 15.110 7.045 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.358 14.328 8.575 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.713 9.740 12.139 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.112 10.916 10.902 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.820 11.823 10.990 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.410 10.709 12.280 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.886 12.225 9.294 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.513 11.731 3.862 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.088 5.497 3.565 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.474 5.810 9.574 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.450 6.127 2.889 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.460 3.346 8.834 1.00 0.00 H new