USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 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= 1.3 K(o=-0.59,f=-6.3!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.741 K(o=-0.59,f=-1.4) USER MOD Set 1.3: A 57 ASN : amide:sc= 0.03 K(o=-0.59,f=-2.3) USER MOD Set 1.4: A 201 HEM CMD :methyl 150:sc= -2.66! (180deg=-2.66!) USER MOD Set 2.1: A 30 TYR OH : rot 130:sc= 0.623 USER MOD Set 2.2: A 71 SER OG : rot 106:sc= 2.16 USER MOD Set 3.1: A 20 SER OG : rot -157:sc= 1.21 USER MOD Set 3.2: A 33 THR OG1 : rot 96:sc= 2 USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 2.43 (180deg=1.16) USER MOD Single : A 6 TYR OH : rot -165:sc= 1.23 USER MOD Single : A 7 TYR OH : rot 25:sc= 1.12 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 2.45 (180deg=2.22) USER MOD Single : A 15 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.28) USER MOD Single : A 16 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.9!) USER MOD Single : A 17 ASN : amide:sc= -0.162! C(o=-0.16!,f=-3.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 40:sc=-0.00118 USER MOD Single : A 26 HIS : no HE2:sc= -0.373 K(o=-0.37,f=-4.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0152 (180deg=-0.231) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0148) USER MOD Single : A 55 THR OG1 : rot 33:sc= 1.63 USER MOD Single : A 64 SER OG : rot -136:sc= 1.73 USER MOD Single : A 65 THR OG1 : rot 73:sc= 0.881 USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.848 (180deg=-2.07!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-5.8!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.81 (180deg=-0.982) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.79! (180deg=-2.79!) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.337 (180deg=-1.72) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 4.010 1.516 -18.274 1.00 0.00 N ATOM 2 CA ALA A 3 2.797 0.945 -17.645 1.00 0.00 C ATOM 3 C ALA A 3 3.154 0.274 -16.312 1.00 0.00 C ATOM 4 O ALA A 3 4.339 0.138 -16.021 1.00 0.00 O ATOM 5 CB ALA A 3 2.120 -0.046 -18.598 1.00 0.00 C ATOM 0 HA ALA A 3 2.093 1.751 -17.440 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.230 -0.458 -18.122 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.836 0.468 -19.516 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.812 -0.854 -18.834 1.00 0.00 H new ATOM 13 N VAL A 4 2.160 -0.138 -15.521 1.00 0.00 N ATOM 14 CA VAL A 4 2.391 -0.923 -14.308 1.00 0.00 C ATOM 15 C VAL A 4 2.960 -2.299 -14.627 1.00 0.00 C ATOM 16 O VAL A 4 2.667 -2.845 -15.689 1.00 0.00 O ATOM 17 CB VAL A 4 1.067 -1.066 -13.542 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.000 -2.220 -12.544 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.900 0.181 -12.709 1.00 0.00 C ATOM 0 H VAL A 4 1.177 0.063 -15.703 1.00 0.00 H new ATOM 0 HA VAL A 4 3.125 -0.400 -13.695 1.00 0.00 H new ATOM 0 HB VAL A 4 0.306 -1.242 -14.302 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.023 -2.227 -12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.153 -3.164 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.777 -2.094 -11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.032 0.121 -12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.737 0.271 -12.016 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.874 1.054 -13.362 1.00 0.00 H new ATOM 29 N LYS A 5 3.726 -2.865 -13.677 1.00 0.00 N ATOM 30 CA LYS A 5 4.174 -4.252 -13.774 1.00 0.00 C ATOM 31 C LYS A 5 3.243 -5.283 -13.139 1.00 0.00 C ATOM 32 O LYS A 5 3.188 -6.418 -13.599 1.00 0.00 O ATOM 33 CB LYS A 5 5.671 -4.428 -13.436 1.00 0.00 C ATOM 34 CG LYS A 5 6.054 -4.627 -11.955 1.00 0.00 C ATOM 35 CD LYS A 5 5.510 -5.939 -11.365 1.00 0.00 C ATOM 36 CE LYS A 5 6.399 -6.762 -10.423 1.00 0.00 C ATOM 37 NZ LYS A 5 5.647 -7.954 -9.946 1.00 0.00 N ATOM 0 H LYS A 5 4.043 -2.379 -12.838 1.00 0.00 H new ATOM 0 HA LYS A 5 4.094 -4.495 -14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.043 -5.286 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.203 -3.551 -13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.140 -4.616 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.675 -3.788 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.593 -5.701 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.231 -6.583 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.305 -7.074 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.711 -6.152 -9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.991 -8.227 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.634 -7.727 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.791 -8.743 -10.608 1.00 0.00 H new ATOM 47 N TYR A 6 2.541 -4.869 -12.085 1.00 0.00 N ATOM 48 CA TYR A 6 1.497 -5.604 -11.370 1.00 0.00 C ATOM 49 C TYR A 6 2.084 -6.571 -10.341 1.00 0.00 C ATOM 50 O TYR A 6 3.041 -7.317 -10.577 1.00 0.00 O ATOM 51 CB TYR A 6 0.502 -6.330 -12.291 1.00 0.00 C ATOM 52 CG TYR A 6 -0.296 -5.468 -13.252 1.00 0.00 C ATOM 53 CD1 TYR A 6 0.194 -5.148 -14.537 1.00 0.00 C ATOM 54 CD2 TYR A 6 -1.553 -4.986 -12.862 1.00 0.00 C ATOM 55 CE1 TYR A 6 -0.443 -4.147 -15.296 1.00 0.00 C ATOM 56 CE2 TYR A 6 -2.253 -4.099 -13.689 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.633 -3.569 -14.826 1.00 0.00 C ATOM 58 OH TYR A 6 -2.104 -2.413 -15.366 1.00 0.00 O ATOM 0 H TYR A 6 2.697 -3.946 -11.679 1.00 0.00 H new ATOM 0 HA TYR A 6 0.925 -4.840 -10.844 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.054 -7.067 -12.874 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.200 -6.881 -11.665 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.053 -5.668 -14.936 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.982 -5.299 -11.922 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.018 -3.826 -16.235 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.270 -3.824 -13.450 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.789 -2.033 -14.778 1.00 0.00 H new ATOM 67 N TYR A 7 1.518 -6.506 -9.148 1.00 0.00 N ATOM 68 CA TYR A 7 2.018 -7.205 -7.992 1.00 0.00 C ATOM 69 C TYR A 7 0.854 -7.971 -7.399 1.00 0.00 C ATOM 70 O TYR A 7 0.024 -7.415 -6.689 1.00 0.00 O ATOM 71 CB TYR A 7 2.672 -6.227 -7.015 1.00 0.00 C ATOM 72 CG TYR A 7 3.483 -5.124 -7.645 1.00 0.00 C ATOM 73 CD1 TYR A 7 2.853 -3.990 -8.186 1.00 0.00 C ATOM 74 CD2 TYR A 7 4.877 -5.239 -7.697 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.626 -3.023 -8.842 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.648 -4.164 -8.153 1.00 0.00 C ATOM 77 CZ TYR A 7 5.023 -3.048 -8.729 1.00 0.00 C ATOM 78 OH TYR A 7 5.756 -2.044 -9.279 1.00 0.00 O ATOM 0 H TYR A 7 0.682 -5.953 -8.959 1.00 0.00 H new ATOM 0 HA TYR A 7 2.805 -7.913 -8.253 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.891 -5.776 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.319 -6.791 -6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.784 -3.865 -8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.356 -6.155 -7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.146 -2.258 -9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.724 -4.193 -8.062 1.00 0.00 H new ATOM 0 HH TYR A 7 5.205 -1.236 -9.347 1.00 0.00 H new ATOM 87 N THR A 8 0.804 -9.254 -7.737 1.00 0.00 N ATOM 88 CA THR A 8 -0.100 -10.199 -7.107 1.00 0.00 C ATOM 89 C THR A 8 0.018 -10.039 -5.608 1.00 0.00 C ATOM 90 O THR A 8 1.092 -9.770 -5.077 1.00 0.00 O ATOM 91 CB THR A 8 0.249 -11.629 -7.533 1.00 0.00 C ATOM 92 OG1 THR A 8 1.642 -11.828 -7.393 1.00 0.00 O ATOM 93 CG2 THR A 8 -0.132 -11.868 -8.994 1.00 0.00 C ATOM 0 H THR A 8 1.394 -9.667 -8.460 1.00 0.00 H new ATOM 0 HA THR A 8 -1.127 -10.004 -7.416 1.00 0.00 H new ATOM 0 HB THR A 8 -0.305 -12.323 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.871 -12.742 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.125 -12.889 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.204 -11.716 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.411 -11.169 -9.631 1.00 0.00 H new ATOM 101 N LEU A 9 -1.095 -10.197 -4.919 1.00 0.00 N ATOM 102 CA LEU A 9 -1.173 -10.268 -3.480 1.00 0.00 C ATOM 103 C LEU A 9 -0.089 -11.201 -2.917 1.00 0.00 C ATOM 104 O LEU A 9 0.436 -10.949 -1.847 1.00 0.00 O ATOM 105 CB LEU A 9 -2.560 -10.784 -3.184 1.00 0.00 C ATOM 106 CG LEU A 9 -3.182 -10.253 -1.892 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.617 -10.776 -1.774 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.400 -10.598 -0.624 1.00 0.00 C ATOM 0 H LEU A 9 -2.006 -10.283 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.001 -9.299 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.213 -10.526 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.524 -11.872 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.160 -9.166 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.066 -10.401 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.200 -10.434 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.607 -11.866 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.912 -10.183 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.333 -11.681 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.397 -10.177 -0.689 1.00 0.00 H new ATOM 119 N GLU A 10 0.264 -12.268 -3.644 1.00 0.00 N ATOM 120 CA GLU A 10 1.467 -13.066 -3.373 1.00 0.00 C ATOM 121 C GLU A 10 2.663 -12.130 -3.111 1.00 0.00 C ATOM 122 O GLU A 10 3.312 -12.191 -2.070 1.00 0.00 O ATOM 123 CB GLU A 10 1.778 -14.016 -4.558 1.00 0.00 C ATOM 124 CG GLU A 10 3.304 -14.244 -4.658 1.00 0.00 C ATOM 125 CD GLU A 10 3.832 -15.258 -5.653 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.033 -16.051 -6.186 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.070 -15.171 -5.846 1.00 0.00 O ATOM 0 H GLU A 10 -0.278 -12.604 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 10 1.288 -13.677 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.267 -14.968 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.403 -13.588 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.766 -13.284 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.658 -14.537 -3.670 1.00 0.00 H new ATOM 132 N GLU A 11 2.961 -11.269 -4.084 1.00 0.00 N ATOM 133 CA GLU A 11 4.014 -10.277 -4.025 1.00 0.00 C ATOM 134 C GLU A 11 3.745 -9.346 -2.861 1.00 0.00 C ATOM 135 O GLU A 11 4.565 -9.219 -1.968 1.00 0.00 O ATOM 136 CB GLU A 11 4.121 -9.519 -5.365 1.00 0.00 C ATOM 137 CG GLU A 11 5.555 -9.054 -5.667 1.00 0.00 C ATOM 138 CD GLU A 11 6.236 -9.922 -6.709 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.637 -11.045 -6.323 1.00 0.00 O ATOM 140 OE2 GLU A 11 6.313 -9.443 -7.868 1.00 0.00 O ATOM 0 H GLU A 11 2.450 -11.250 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 11 4.977 -10.762 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.774 -10.164 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.459 -8.653 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.534 -8.021 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.140 -9.068 -4.747 1.00 0.00 H new ATOM 145 N ILE A 12 2.558 -8.756 -2.804 1.00 0.00 N ATOM 146 CA ILE A 12 2.215 -7.853 -1.711 1.00 0.00 C ATOM 147 C ILE A 12 2.445 -8.493 -0.329 1.00 0.00 C ATOM 148 O ILE A 12 2.996 -7.851 0.567 1.00 0.00 O ATOM 149 CB ILE A 12 0.803 -7.273 -1.908 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.448 -6.922 -3.368 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.664 -5.976 -1.118 1.00 0.00 C ATOM 152 CD1 ILE A 12 -1.000 -6.461 -3.503 1.00 0.00 C ATOM 0 H ILE A 12 1.820 -8.885 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 12 2.901 -7.006 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 12 0.132 -8.062 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.114 -6.137 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.613 -7.793 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.337 -5.569 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.827 -6.176 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.402 -5.255 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.210 -6.223 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.667 -7.256 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.158 -5.574 -2.890 1.00 0.00 H new ATOM 163 N GLN A 13 2.159 -9.789 -0.179 1.00 0.00 N ATOM 164 CA GLN A 13 2.408 -10.497 1.080 1.00 0.00 C ATOM 165 C GLN A 13 3.879 -10.496 1.499 1.00 0.00 C ATOM 166 O GLN A 13 4.192 -10.617 2.683 1.00 0.00 O ATOM 167 CB GLN A 13 1.940 -11.953 0.982 1.00 0.00 C ATOM 168 CG GLN A 13 0.464 -12.108 1.370 1.00 0.00 C ATOM 169 CD GLN A 13 0.167 -11.724 2.815 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.992 -11.887 3.704 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.020 -11.195 3.076 1.00 0.00 N ATOM 0 H GLN A 13 1.755 -10.370 -0.914 1.00 0.00 H new ATOM 0 HA GLN A 13 1.841 -9.954 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.087 -12.314 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.554 -12.576 1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.143 -11.492 0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.162 -13.143 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.697 -11.065 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.256 -10.917 4.029 1.00 0.00 H new ATOM 178 N LYS A 14 4.789 -10.388 0.534 1.00 0.00 N ATOM 179 CA LYS A 14 6.218 -10.413 0.783 1.00 0.00 C ATOM 180 C LYS A 14 6.709 -9.087 1.414 1.00 0.00 C ATOM 181 O LYS A 14 7.851 -9.011 1.868 1.00 0.00 O ATOM 182 CB LYS A 14 6.933 -10.682 -0.557 1.00 0.00 C ATOM 183 CG LYS A 14 6.634 -12.051 -1.188 1.00 0.00 C ATOM 184 CD LYS A 14 7.161 -12.137 -2.640 1.00 0.00 C ATOM 185 CE LYS A 14 6.423 -13.251 -3.407 1.00 0.00 C ATOM 186 NZ LYS A 14 6.645 -13.232 -4.876 1.00 0.00 N ATOM 0 H LYS A 14 4.547 -10.280 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 14 6.449 -11.203 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.651 -9.903 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.009 -10.597 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.092 -12.837 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.559 -12.229 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.017 -11.181 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.232 -12.337 -2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.741 -14.217 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.354 -13.164 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.842 -13.688 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.728 -12.248 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.520 -13.747 -5.102 1.00 0.00 H new ATOM 196 N HIS A 15 5.876 -8.031 1.424 1.00 0.00 N ATOM 197 CA HIS A 15 6.269 -6.664 1.774 1.00 0.00 C ATOM 198 C HIS A 15 5.401 -6.047 2.880 1.00 0.00 C ATOM 199 O HIS A 15 4.448 -5.315 2.624 1.00 0.00 O ATOM 200 CB HIS A 15 6.205 -5.824 0.506 1.00 0.00 C ATOM 201 CG HIS A 15 7.123 -6.303 -0.591 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.485 -6.133 -0.670 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.729 -6.986 -1.706 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.894 -6.692 -1.822 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.862 -7.233 -2.485 1.00 0.00 N ATOM 0 H HIS A 15 4.888 -8.112 1.182 1.00 0.00 H new ATOM 0 HA HIS A 15 7.280 -6.688 2.180 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.180 -5.822 0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.456 -4.792 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.718 -7.283 -1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.917 -6.704 -2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.897 -7.725 -3.378 1.00 0.00 H new ATOM 212 N ASN A 16 5.772 -6.312 4.129 1.00 0.00 N ATOM 213 CA ASN A 16 5.007 -5.924 5.317 1.00 0.00 C ATOM 214 C ASN A 16 5.859 -5.955 6.593 1.00 0.00 C ATOM 215 O ASN A 16 5.406 -6.408 7.643 1.00 0.00 O ATOM 216 CB ASN A 16 3.771 -6.833 5.423 1.00 0.00 C ATOM 217 CG ASN A 16 4.114 -8.309 5.231 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.237 -8.745 5.467 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.172 -9.081 4.715 1.00 0.00 N ATOM 0 H ASN A 16 6.632 -6.814 4.352 1.00 0.00 H new ATOM 0 HA ASN A 16 4.684 -4.888 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.305 -6.695 6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.038 -6.533 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.372 -10.059 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.245 -8.698 4.527 1.00 0.00 H new ATOM 225 N ASN A 17 7.105 -5.477 6.517 1.00 0.00 N ATOM 226 CA ASN A 17 8.024 -5.519 7.652 1.00 0.00 C ATOM 227 C ASN A 17 8.932 -4.270 7.665 1.00 0.00 C ATOM 228 O ASN A 17 8.432 -3.142 7.705 1.00 0.00 O ATOM 229 CB ASN A 17 8.734 -6.884 7.588 1.00 0.00 C ATOM 230 CG ASN A 17 9.645 -7.162 8.774 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.853 -6.986 8.662 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.095 -7.565 9.907 1.00 0.00 N ATOM 0 H ASN A 17 7.499 -5.055 5.676 1.00 0.00 H new ATOM 0 HA ASN A 17 7.523 -5.461 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.982 -7.671 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.322 -6.934 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.680 -7.740 10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.086 -7.701 9.964 1.00 0.00 H new ATOM 238 N SER A 18 10.254 -4.463 7.631 1.00 0.00 N ATOM 239 CA SER A 18 11.285 -3.437 7.447 1.00 0.00 C ATOM 240 C SER A 18 11.721 -3.451 5.976 1.00 0.00 C ATOM 241 O SER A 18 11.827 -2.412 5.333 1.00 0.00 O ATOM 242 CB SER A 18 12.451 -3.727 8.398 1.00 0.00 C ATOM 243 OG SER A 18 13.485 -2.792 8.171 1.00 0.00 O ATOM 0 H SER A 18 10.657 -5.394 7.737 1.00 0.00 H new ATOM 0 HA SER A 18 10.906 -2.442 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.114 -3.669 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.821 -4.740 8.240 1.00 0.00 H new ATOM 0 HG SER A 18 14.231 -2.975 8.780 1.00 0.00 H new ATOM 248 N LYS A 19 11.880 -4.677 5.455 1.00 0.00 N ATOM 249 CA LYS A 19 12.024 -5.091 4.064 1.00 0.00 C ATOM 250 C LYS A 19 11.420 -4.069 3.090 1.00 0.00 C ATOM 251 O LYS A 19 12.081 -3.568 2.187 1.00 0.00 O ATOM 252 CB LYS A 19 11.221 -6.401 3.958 1.00 0.00 C ATOM 253 CG LYS A 19 11.796 -7.611 4.700 1.00 0.00 C ATOM 254 CD LYS A 19 12.898 -8.282 3.866 1.00 0.00 C ATOM 255 CE LYS A 19 13.445 -9.519 4.590 1.00 0.00 C ATOM 256 NZ LYS A 19 14.509 -10.180 3.803 1.00 0.00 N ATOM 0 H LYS A 19 11.914 -5.488 6.073 1.00 0.00 H new ATOM 0 HA LYS A 19 13.077 -5.194 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.214 -6.216 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.126 -6.660 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.201 -7.296 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.002 -8.328 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.501 -8.570 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.706 -7.574 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.839 -9.228 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.634 -10.224 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.857 -11.012 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.126 -10.479 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.293 -9.514 3.651 1.00 0.00 H new ATOM 266 N SER A 20 10.132 -3.824 3.323 1.00 0.00 N ATOM 267 CA SER A 20 9.279 -2.783 2.773 1.00 0.00 C ATOM 268 C SER A 20 7.938 -2.882 3.512 1.00 0.00 C ATOM 269 O SER A 20 7.698 -3.854 4.237 1.00 0.00 O ATOM 270 CB SER A 20 9.110 -2.897 1.246 1.00 0.00 C ATOM 271 OG SER A 20 9.850 -1.889 0.584 1.00 0.00 O ATOM 0 H SER A 20 9.610 -4.414 3.970 1.00 0.00 H new ATOM 0 HA SER A 20 9.734 -1.804 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.443 -3.879 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.055 -2.812 0.985 1.00 0.00 H new ATOM 0 HG SER A 20 9.465 -1.729 -0.303 1.00 0.00 H new ATOM 276 N THR A 21 7.075 -1.884 3.338 1.00 0.00 N ATOM 277 CA THR A 21 5.694 -1.879 3.809 1.00 0.00 C ATOM 278 C THR A 21 4.781 -1.544 2.637 1.00 0.00 C ATOM 279 O THR A 21 4.630 -0.369 2.288 1.00 0.00 O ATOM 280 CB THR A 21 5.532 -0.873 4.960 1.00 0.00 C ATOM 281 OG1 THR A 21 6.112 -1.433 6.124 1.00 0.00 O ATOM 282 CG2 THR A 21 4.083 -0.483 5.254 1.00 0.00 C ATOM 0 H THR A 21 7.328 -1.026 2.847 1.00 0.00 H new ATOM 0 HA THR A 21 5.422 -2.861 4.196 1.00 0.00 H new ATOM 0 HB THR A 21 6.032 0.046 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.937 -1.904 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.058 0.229 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.642 -0.027 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.515 -1.373 5.526 1.00 0.00 H new ATOM 290 N TRP A 22 4.189 -2.585 2.044 1.00 0.00 N ATOM 291 CA TRP A 22 3.181 -2.453 1.007 1.00 0.00 C ATOM 292 C TRP A 22 1.787 -2.316 1.544 1.00 0.00 C ATOM 293 O TRP A 22 1.519 -2.634 2.691 1.00 0.00 O ATOM 294 CB TRP A 22 3.295 -3.519 -0.083 1.00 0.00 C ATOM 295 CG TRP A 22 4.491 -3.450 -0.977 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.607 -2.720 -0.778 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.721 -4.185 -2.209 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.505 -2.956 -1.796 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.019 -3.871 -2.703 1.00 0.00 C ATOM 300 CE3 TRP A 22 3.949 -5.073 -2.974 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.508 -4.432 -3.893 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.506 -5.782 -4.042 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.777 -5.447 -4.519 1.00 0.00 C ATOM 0 H TRP A 22 4.405 -3.554 2.280 1.00 0.00 H new ATOM 0 HA TRP A 22 3.400 -1.504 0.518 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.287 -4.497 0.398 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.402 -3.463 -0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.772 -2.051 0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.418 -2.508 -1.869 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.905 -5.211 -2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.437 -4.084 -4.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.954 -6.590 -4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.193 -5.970 -5.368 1.00 0.00 H new ATOM 313 N LEU A 23 0.894 -1.814 0.706 1.00 0.00 N ATOM 314 CA LEU A 23 -0.506 -1.819 0.995 1.00 0.00 C ATOM 315 C LEU A 23 -1.319 -1.707 -0.286 1.00 0.00 C ATOM 316 O LEU A 23 -0.738 -1.451 -1.337 1.00 0.00 O ATOM 317 CB LEU A 23 -0.859 -0.741 2.018 1.00 0.00 C ATOM 318 CG LEU A 23 0.007 0.401 2.553 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.757 1.720 2.303 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.103 0.332 4.086 1.00 0.00 C ATOM 0 H LEU A 23 1.134 -1.394 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.767 -2.774 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.746 -0.253 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.174 -1.291 2.905 1.00 0.00 H new ATOM 0 HG LEU A 23 0.986 0.340 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.167 2.558 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.931 1.843 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.713 1.691 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.723 1.152 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.895 0.413 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.549 -0.618 4.380 1.00 0.00 H new ATOM 331 N ILE A 24 -2.641 -1.894 -0.206 1.00 0.00 N ATOM 332 CA ILE A 24 -3.535 -1.634 -1.332 1.00 0.00 C ATOM 333 C ILE A 24 -4.543 -0.553 -0.972 1.00 0.00 C ATOM 334 O ILE A 24 -5.305 -0.735 -0.021 1.00 0.00 O ATOM 335 CB ILE A 24 -4.302 -2.887 -1.786 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.363 -4.022 -2.199 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.241 -2.570 -2.959 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.983 -5.411 -2.008 1.00 0.00 C ATOM 0 H ILE A 24 -3.115 -2.227 0.634 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.900 -1.308 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.886 -3.213 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.086 -3.894 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.444 -3.957 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.769 -3.476 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.963 -1.813 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.658 -2.196 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.269 -6.174 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.235 -5.556 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.886 -5.492 -2.612 1.00 0.00 H new ATOM 349 N LEU A 25 -4.568 0.538 -1.743 1.00 0.00 N ATOM 350 CA LEU A 25 -5.658 1.506 -1.689 1.00 0.00 C ATOM 351 C LEU A 25 -6.383 1.419 -3.044 1.00 0.00 C ATOM 352 O LEU A 25 -5.831 1.794 -4.081 1.00 0.00 O ATOM 353 CB LEU A 25 -5.239 2.939 -1.299 1.00 0.00 C ATOM 354 CG LEU A 25 -4.091 3.122 -0.293 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.983 4.608 0.064 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.283 2.345 1.004 1.00 0.00 C ATOM 0 H LEU A 25 -3.838 0.771 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.332 1.249 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.964 3.464 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.117 3.442 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.191 2.739 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.172 4.753 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.780 5.185 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.920 4.945 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.434 2.523 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.199 2.675 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.354 1.280 0.783 1.00 0.00 H new ATOM 367 N HIS A 26 -7.597 0.870 -3.062 1.00 0.00 N ATOM 368 CA HIS A 26 -8.480 0.823 -4.227 1.00 0.00 C ATOM 369 C HIS A 26 -7.866 0.013 -5.400 1.00 0.00 C ATOM 370 O HIS A 26 -7.763 0.500 -6.528 1.00 0.00 O ATOM 371 CB HIS A 26 -8.910 2.257 -4.621 1.00 0.00 C ATOM 372 CG HIS A 26 -8.885 3.312 -3.527 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.892 3.670 -2.654 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.841 4.169 -3.295 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.451 4.716 -1.933 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.203 5.057 -2.283 1.00 0.00 N ATOM 0 H HIS A 26 -8.007 0.431 -2.238 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.384 0.276 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.263 2.594 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.923 2.209 -5.021 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.805 3.223 -2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.893 4.158 -3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.028 5.217 -1.170 1.00 0.00 H new ATOM 383 N TYR A 27 -7.402 -1.218 -5.123 1.00 0.00 N ATOM 384 CA TYR A 27 -6.697 -2.121 -6.046 1.00 0.00 C ATOM 385 C TYR A 27 -5.290 -1.680 -6.452 1.00 0.00 C ATOM 386 O TYR A 27 -4.597 -2.440 -7.132 1.00 0.00 O ATOM 387 CB TYR A 27 -7.461 -2.400 -7.340 1.00 0.00 C ATOM 388 CG TYR A 27 -8.963 -2.553 -7.234 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.487 -3.677 -6.570 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.817 -1.727 -7.987 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.826 -4.047 -6.764 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.180 -2.053 -8.110 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.677 -3.225 -7.516 1.00 0.00 C ATOM 394 OH TYR A 27 -12.979 -3.576 -7.693 1.00 0.00 O ATOM 0 H TYR A 27 -7.516 -1.631 -4.197 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.623 -3.023 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.252 -1.589 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.058 -3.312 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.858 -4.256 -5.910 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.427 -0.843 -8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.201 -4.964 -6.334 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.844 -1.403 -8.661 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.430 -2.897 -8.237 1.00 0.00 H new ATOM 403 N LYS A 28 -4.887 -0.457 -6.109 1.00 0.00 N ATOM 404 CA LYS A 28 -3.566 0.049 -6.432 1.00 0.00 C ATOM 405 C LYS A 28 -2.626 -0.238 -5.268 1.00 0.00 C ATOM 406 O LYS A 28 -3.061 -0.138 -4.126 1.00 0.00 O ATOM 407 CB LYS A 28 -3.645 1.525 -6.798 1.00 0.00 C ATOM 408 CG LYS A 28 -4.646 1.688 -7.944 1.00 0.00 C ATOM 409 CD LYS A 28 -4.479 3.064 -8.585 1.00 0.00 C ATOM 410 CE LYS A 28 -5.417 3.219 -9.790 1.00 0.00 C ATOM 411 NZ LYS A 28 -6.836 3.024 -9.412 1.00 0.00 N ATOM 0 H LYS A 28 -5.472 0.206 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.161 -0.458 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.958 2.113 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.664 1.894 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.490 0.908 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.663 1.572 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.691 3.841 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.445 3.200 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.290 4.211 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.143 2.497 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.449 3.333 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.007 2.017 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.049 3.585 -8.563 1.00 0.00 H new ATOM 421 N VAL A 29 -1.384 -0.637 -5.555 1.00 0.00 N ATOM 422 CA VAL A 29 -0.407 -1.068 -4.550 1.00 0.00 C ATOM 423 C VAL A 29 0.542 0.081 -4.199 1.00 0.00 C ATOM 424 O VAL A 29 0.969 0.828 -5.082 1.00 0.00 O ATOM 425 CB VAL A 29 0.386 -2.301 -5.004 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.421 -2.709 -3.950 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.526 -3.515 -5.075 1.00 0.00 C ATOM 0 H VAL A 29 -1.023 -0.670 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.965 -1.354 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 29 0.836 -2.034 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.968 -3.585 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.118 -1.887 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.914 -2.946 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.048 -4.383 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.952 -3.708 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.329 -3.326 -5.787 1.00 0.00 H new ATOM 437 N TYR A 30 0.879 0.185 -2.912 1.00 0.00 N ATOM 438 CA TYR A 30 1.541 1.295 -2.268 1.00 0.00 C ATOM 439 C TYR A 30 2.716 0.853 -1.408 1.00 0.00 C ATOM 440 O TYR A 30 2.435 0.184 -0.433 1.00 0.00 O ATOM 441 CB TYR A 30 0.458 1.828 -1.342 1.00 0.00 C ATOM 442 CG TYR A 30 -0.535 2.717 -2.027 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.603 2.119 -2.697 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.426 4.112 -1.972 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.574 2.911 -3.318 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.470 4.902 -2.474 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.531 4.305 -3.172 1.00 0.00 C ATOM 448 OH TYR A 30 -3.559 5.065 -3.642 1.00 0.00 O ATOM 0 H TYR A 30 0.676 -0.567 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 30 1.939 2.003 -2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.070 0.987 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.927 2.381 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.680 1.042 -2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.453 4.574 -1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.353 2.451 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.458 5.971 -2.323 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.857 5.682 -2.941 1.00 0.00 H new ATOM 457 N ASP A 31 3.954 1.278 -1.686 1.00 0.00 N ATOM 458 CA ASP A 31 5.163 0.959 -0.892 1.00 0.00 C ATOM 459 C ASP A 31 5.641 2.219 -0.170 1.00 0.00 C ATOM 460 O ASP A 31 6.050 3.187 -0.813 1.00 0.00 O ATOM 461 CB ASP A 31 6.316 0.389 -1.735 1.00 0.00 C ATOM 462 CG ASP A 31 7.480 -0.119 -0.870 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.596 0.298 0.304 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.222 -1.001 -1.360 1.00 0.00 O ATOM 0 H ASP A 31 4.156 1.871 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 31 4.877 0.183 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.942 -0.428 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.681 1.159 -2.414 1.00 0.00 H new ATOM 468 N LEU A 32 5.576 2.208 1.161 1.00 0.00 N ATOM 469 CA LEU A 32 5.675 3.439 1.941 1.00 0.00 C ATOM 470 C LEU A 32 6.922 3.552 2.812 1.00 0.00 C ATOM 471 O LEU A 32 7.548 4.609 2.816 1.00 0.00 O ATOM 472 CB LEU A 32 4.355 3.584 2.695 1.00 0.00 C ATOM 473 CG LEU A 32 3.199 3.299 1.720 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.871 3.519 2.382 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.133 4.242 0.528 1.00 0.00 C ATOM 0 H LEU A 32 5.456 1.363 1.719 1.00 0.00 H new ATOM 0 HA LEU A 32 5.819 4.288 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.321 2.890 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.263 4.589 3.107 1.00 0.00 H new ATOM 0 HG LEU A 32 3.390 2.273 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.071 3.311 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.777 2.853 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.798 4.554 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.290 3.969 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.005 5.266 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.057 4.168 -0.046 1.00 0.00 H new ATOM 486 N THR A 33 7.260 2.476 3.529 1.00 0.00 N ATOM 487 CA THR A 33 8.491 2.153 4.275 1.00 0.00 C ATOM 488 C THR A 33 9.265 3.250 5.037 1.00 0.00 C ATOM 489 O THR A 33 9.616 3.058 6.195 1.00 0.00 O ATOM 490 CB THR A 33 9.384 1.321 3.345 1.00 0.00 C ATOM 491 OG1 THR A 33 8.579 0.320 2.744 1.00 0.00 O ATOM 492 CG2 THR A 33 10.491 0.624 4.136 1.00 0.00 C ATOM 0 H THR A 33 6.593 1.709 3.613 1.00 0.00 H new ATOM 0 HA THR A 33 8.139 1.605 5.149 1.00 0.00 H new ATOM 0 HB THR A 33 9.836 1.979 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.281 0.626 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.112 0.040 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.106 1.371 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.046 -0.037 4.879 1.00 0.00 H new ATOM 500 N LYS A 34 9.552 4.386 4.417 1.00 0.00 N ATOM 501 CA LYS A 34 10.064 5.593 5.060 1.00 0.00 C ATOM 502 C LYS A 34 8.948 6.485 5.564 1.00 0.00 C ATOM 503 O LYS A 34 9.038 7.073 6.631 1.00 0.00 O ATOM 504 CB LYS A 34 10.748 6.418 3.978 1.00 0.00 C ATOM 505 CG LYS A 34 12.008 5.758 3.458 1.00 0.00 C ATOM 506 CD LYS A 34 13.110 5.850 4.527 1.00 0.00 C ATOM 507 CE LYS A 34 14.507 5.550 3.984 1.00 0.00 C ATOM 508 NZ LYS A 34 15.013 6.677 3.175 1.00 0.00 N ATOM 0 H LYS A 34 9.430 4.499 3.411 1.00 0.00 H new ATOM 0 HA LYS A 34 10.707 5.287 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.055 6.574 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.995 7.402 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.811 4.715 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.335 6.246 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.103 6.850 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.884 5.152 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.189 5.357 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.479 4.645 3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.982 6.471 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.401 6.811 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.013 7.544 3.749 1.00 0.00 H new ATOM 518 N PHE A 35 7.901 6.619 4.754 1.00 0.00 N ATOM 519 CA PHE A 35 6.771 7.494 5.087 1.00 0.00 C ATOM 520 C PHE A 35 6.262 7.204 6.502 1.00 0.00 C ATOM 521 O PHE A 35 5.896 8.102 7.251 1.00 0.00 O ATOM 522 CB PHE A 35 5.646 7.370 4.067 1.00 0.00 C ATOM 523 CG PHE A 35 4.454 8.235 4.428 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.645 9.602 4.708 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.168 7.674 4.530 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.550 10.421 5.015 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.070 8.495 4.832 1.00 0.00 C ATOM 528 CZ PHE A 35 2.259 9.874 5.042 1.00 0.00 C ATOM 0 H PHE A 35 7.808 6.134 3.861 1.00 0.00 H new ATOM 0 HA PHE A 35 7.128 8.523 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.016 7.656 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.331 6.329 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.640 10.021 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.026 6.614 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.700 11.469 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.080 8.069 4.903 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.407 10.513 5.224 1.00 0.00 H new ATOM 537 N LEU A 36 6.315 5.921 6.850 1.00 0.00 N ATOM 538 CA LEU A 36 6.206 5.357 8.185 1.00 0.00 C ATOM 539 C LEU A 36 6.716 6.320 9.280 1.00 0.00 C ATOM 540 O LEU A 36 5.993 6.647 10.215 1.00 0.00 O ATOM 541 CB LEU A 36 7.073 4.090 8.123 1.00 0.00 C ATOM 542 CG LEU A 36 6.597 3.028 7.119 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.171 1.678 7.569 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.084 2.830 7.040 1.00 0.00 C ATOM 0 H LEU A 36 6.446 5.194 6.147 1.00 0.00 H new ATOM 0 HA LEU A 36 5.168 5.157 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.093 4.378 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.106 3.641 9.116 1.00 0.00 H new ATOM 0 HG LEU A 36 6.932 3.376 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.852 0.898 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.260 1.731 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.809 1.444 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.856 2.060 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.706 2.523 8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.609 3.766 6.745 1.00 0.00 H new ATOM 555 N GLU A 37 7.958 6.789 9.132 1.00 0.00 N ATOM 556 CA GLU A 37 8.666 7.705 10.022 1.00 0.00 C ATOM 557 C GLU A 37 7.948 9.063 10.194 1.00 0.00 C ATOM 558 O GLU A 37 8.039 9.684 11.251 1.00 0.00 O ATOM 559 CB GLU A 37 10.085 7.902 9.449 1.00 0.00 C ATOM 560 CG GLU A 37 10.888 6.595 9.277 1.00 0.00 C ATOM 561 CD GLU A 37 12.254 6.830 8.634 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.171 7.233 9.380 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.366 6.593 7.410 1.00 0.00 O ATOM 0 H GLU A 37 8.531 6.519 8.333 1.00 0.00 H new ATOM 0 HA GLU A 37 8.700 7.270 11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.008 8.397 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.640 8.572 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.024 6.125 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.316 5.899 8.664 1.00 0.00 H new ATOM 568 N GLU A 38 7.269 9.536 9.142 1.00 0.00 N ATOM 569 CA GLU A 38 6.644 10.857 9.037 1.00 0.00 C ATOM 570 C GLU A 38 5.145 10.837 9.405 1.00 0.00 C ATOM 571 O GLU A 38 4.647 11.698 10.128 1.00 0.00 O ATOM 572 CB GLU A 38 6.846 11.319 7.582 1.00 0.00 C ATOM 573 CG GLU A 38 6.347 12.744 7.288 1.00 0.00 C ATOM 574 CD GLU A 38 7.246 13.830 7.866 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.423 13.864 7.447 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.732 14.620 8.684 1.00 0.00 O ATOM 0 H GLU A 38 7.135 8.978 8.299 1.00 0.00 H new ATOM 0 HA GLU A 38 7.106 11.544 9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.907 11.263 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.331 10.624 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.273 12.880 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.342 12.860 7.694 1.00 0.00 H new ATOM 581 N HIS A 39 4.407 9.866 8.860 1.00 0.00 N ATOM 582 CA HIS A 39 2.950 9.770 8.884 1.00 0.00 C ATOM 583 C HIS A 39 2.305 10.033 10.259 1.00 0.00 C ATOM 584 O HIS A 39 2.497 9.240 11.181 1.00 0.00 O ATOM 585 CB HIS A 39 2.569 8.372 8.390 1.00 0.00 C ATOM 586 CG HIS A 39 1.084 8.121 8.295 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.445 6.997 8.754 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.173 8.850 7.576 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.816 7.037 8.292 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.037 8.153 7.570 1.00 0.00 N ATOM 0 H HIS A 39 4.836 9.085 8.364 1.00 0.00 H new ATOM 0 HA HIS A 39 2.565 10.560 8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.014 8.215 7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.007 7.632 9.060 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.852 6.266 9.338 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.359 9.800 7.097 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.557 6.273 8.476 1.00 0.00 H new ATOM 597 N PRO A 40 1.456 11.069 10.405 1.00 0.00 N ATOM 598 CA PRO A 40 0.783 11.367 11.668 1.00 0.00 C ATOM 599 C PRO A 40 -0.197 10.265 12.095 1.00 0.00 C ATOM 600 O PRO A 40 -0.454 10.096 13.283 1.00 0.00 O ATOM 601 CB PRO A 40 0.102 12.724 11.461 1.00 0.00 C ATOM 602 CG PRO A 40 -0.138 12.764 9.954 1.00 0.00 C ATOM 603 CD PRO A 40 1.075 12.037 9.388 1.00 0.00 C ATOM 0 HA PRO A 40 1.495 11.408 12.493 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.831 12.796 12.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.736 13.548 11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.069 12.267 9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.203 13.787 9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.833 11.543 8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.889 12.732 9.183 1.00 0.00 H new ATOM 608 N GLY A 41 -0.715 9.479 11.144 1.00 0.00 N ATOM 609 CA GLY A 41 -1.471 8.262 11.446 1.00 0.00 C ATOM 610 C GLY A 41 -0.630 7.183 12.152 1.00 0.00 C ATOM 611 O GLY A 41 -1.194 6.256 12.728 1.00 0.00 O ATOM 0 H GLY A 41 -0.621 9.670 10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.323 8.519 12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.872 7.852 10.519 1.00 0.00 H new ATOM 615 N GLY A 42 0.706 7.277 12.087 1.00 0.00 N ATOM 616 CA GLY A 42 1.649 6.345 12.693 1.00 0.00 C ATOM 617 C GLY A 42 2.279 5.436 11.637 1.00 0.00 C ATOM 618 O GLY A 42 1.709 5.233 10.560 1.00 0.00 O ATOM 0 H GLY A 42 1.171 8.037 11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.430 6.900 13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.137 5.739 13.440 1.00 0.00 H new ATOM 622 N GLU A 43 3.442 4.860 11.946 1.00 0.00 N ATOM 623 CA GLU A 43 4.023 3.804 11.134 1.00 0.00 C ATOM 624 C GLU A 43 3.294 2.511 11.379 1.00 0.00 C ATOM 625 O GLU A 43 2.862 1.826 10.449 1.00 0.00 O ATOM 626 CB GLU A 43 5.501 3.523 11.458 1.00 0.00 C ATOM 627 CG GLU A 43 5.965 3.018 12.839 1.00 0.00 C ATOM 628 CD GLU A 43 5.575 3.894 14.026 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.350 4.023 14.253 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.501 4.425 14.672 1.00 0.00 O ATOM 0 H GLU A 43 4.000 5.114 12.761 1.00 0.00 H new ATOM 0 HA GLU A 43 3.939 4.152 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.847 2.793 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.044 4.449 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.556 2.020 12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.050 2.919 12.824 1.00 0.00 H new ATOM 635 N GLU A 44 3.166 2.173 12.662 1.00 0.00 N ATOM 636 CA GLU A 44 2.787 0.830 12.985 1.00 0.00 C ATOM 637 C GLU A 44 1.356 0.586 12.520 1.00 0.00 C ATOM 638 O GLU A 44 0.999 -0.526 12.178 1.00 0.00 O ATOM 639 CB GLU A 44 2.932 0.478 14.472 1.00 0.00 C ATOM 640 CG GLU A 44 4.375 0.225 14.941 1.00 0.00 C ATOM 641 CD GLU A 44 5.064 -0.882 14.150 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.670 -2.052 14.329 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.954 -0.547 13.339 1.00 0.00 O ATOM 0 H GLU A 44 3.316 2.795 13.456 1.00 0.00 H new ATOM 0 HA GLU A 44 3.481 0.174 12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.510 1.289 15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.337 -0.411 14.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.950 1.146 14.846 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.368 -0.040 15.998 1.00 0.00 H new ATOM 648 N HIS A 45 0.549 1.645 12.461 1.00 0.00 N ATOM 649 CA HIS A 45 -0.802 1.620 11.932 1.00 0.00 C ATOM 650 C HIS A 45 -0.865 1.387 10.416 1.00 0.00 C ATOM 651 O HIS A 45 -1.817 0.800 9.905 1.00 0.00 O ATOM 652 CB HIS A 45 -1.459 2.935 12.337 1.00 0.00 C ATOM 653 CG HIS A 45 -2.921 3.010 11.983 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.846 2.000 12.134 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.578 4.101 11.479 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.035 2.483 11.741 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.926 3.761 11.332 1.00 0.00 N ATOM 0 H HIS A 45 0.831 2.568 12.791 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.339 0.769 12.350 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.346 3.072 13.412 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.934 3.759 11.854 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.661 1.059 12.481 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.133 5.055 11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.957 1.921 11.751 1.00 0.00 H new ATOM 664 N LEU A 46 0.164 1.805 9.676 1.00 0.00 N ATOM 665 CA LEU A 46 0.295 1.409 8.279 1.00 0.00 C ATOM 666 C LEU A 46 0.753 -0.048 8.232 1.00 0.00 C ATOM 667 O LEU A 46 0.270 -0.827 7.418 1.00 0.00 O ATOM 668 CB LEU A 46 1.294 2.323 7.550 1.00 0.00 C ATOM 669 CG LEU A 46 0.817 3.776 7.414 1.00 0.00 C ATOM 670 CD1 LEU A 46 1.971 4.649 6.909 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.346 3.894 6.426 1.00 0.00 C ATOM 0 H LEU A 46 0.909 2.411 10.019 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.665 1.507 7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.243 2.310 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.485 1.918 6.556 1.00 0.00 H new ATOM 0 HG LEU A 46 0.480 4.108 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.632 5.680 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.798 4.604 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.305 4.285 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.658 4.936 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.027 3.543 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.182 3.288 6.774 1.00 0.00 H new ATOM 682 N ARG A 47 1.663 -0.429 9.133 1.00 0.00 N ATOM 683 CA ARG A 47 2.270 -1.760 9.150 1.00 0.00 C ATOM 684 C ARG A 47 1.242 -2.848 9.472 1.00 0.00 C ATOM 685 O ARG A 47 1.192 -3.902 8.850 1.00 0.00 O ATOM 686 CB ARG A 47 3.419 -1.734 10.151 1.00 0.00 C ATOM 687 CG ARG A 47 4.249 -3.026 10.096 1.00 0.00 C ATOM 688 CD ARG A 47 5.609 -2.857 10.783 1.00 0.00 C ATOM 689 NE ARG A 47 6.608 -2.261 9.868 1.00 0.00 N ATOM 690 CZ ARG A 47 7.339 -1.149 10.025 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.204 -0.323 11.052 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.259 -0.872 9.111 1.00 0.00 N ATOM 0 H ARG A 47 2.001 0.183 9.876 1.00 0.00 H new ATOM 0 HA ARG A 47 2.654 -2.010 8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.063 -0.879 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.022 -1.599 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.697 -3.834 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.400 -3.317 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.497 -2.224 11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.965 -3.827 11.131 1.00 0.00 H new ATOM 0 HE ARG A 47 6.762 -2.767 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.514 -0.519 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.790 0.509 11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.394 -1.498 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.832 -0.033 9.202 1.00 0.00 H new ATOM 703 N GLU A 48 0.405 -2.523 10.446 1.00 0.00 N ATOM 704 CA GLU A 48 -0.814 -3.214 10.860 1.00 0.00 C ATOM 705 C GLU A 48 -1.659 -3.674 9.660 1.00 0.00 C ATOM 706 O GLU A 48 -2.057 -4.834 9.576 1.00 0.00 O ATOM 707 CB GLU A 48 -1.584 -2.238 11.761 1.00 0.00 C ATOM 708 CG GLU A 48 -2.918 -2.766 12.309 1.00 0.00 C ATOM 709 CD GLU A 48 -3.571 -1.773 13.269 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.545 -0.561 12.954 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.078 -2.244 14.308 1.00 0.00 O ATOM 0 H GLU A 48 0.574 -1.696 11.019 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.569 -4.129 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.947 -1.966 12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.777 -1.325 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.596 -2.970 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.750 -3.712 12.824 1.00 0.00 H new ATOM 716 N GLN A 49 -1.905 -2.764 8.712 1.00 0.00 N ATOM 717 CA GLN A 49 -2.586 -3.080 7.458 1.00 0.00 C ATOM 718 C GLN A 49 -1.661 -3.761 6.445 1.00 0.00 C ATOM 719 O GLN A 49 -2.088 -4.609 5.665 1.00 0.00 O ATOM 720 CB GLN A 49 -3.066 -1.783 6.795 1.00 0.00 C ATOM 721 CG GLN A 49 -4.211 -1.056 7.497 1.00 0.00 C ATOM 722 CD GLN A 49 -5.453 -1.917 7.722 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.989 -1.964 8.820 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.954 -2.620 6.716 1.00 0.00 N ATOM 0 H GLN A 49 -1.635 -1.784 8.796 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.407 -3.750 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.219 -1.101 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.378 -2.013 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.857 -0.689 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.489 -0.183 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.511 -2.584 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.783 -3.197 6.860 1.00 0.00 H new ATOM 731 N ALA A 50 -0.410 -3.299 6.407 1.00 0.00 N ATOM 732 CA ALA A 50 0.553 -3.579 5.360 1.00 0.00 C ATOM 733 C ALA A 50 0.662 -5.031 4.899 1.00 0.00 C ATOM 734 O ALA A 50 0.488 -5.990 5.647 1.00 0.00 O ATOM 735 CB ALA A 50 1.943 -3.104 5.779 1.00 0.00 C ATOM 0 H ALA A 50 -0.033 -2.696 7.138 1.00 0.00 H new ATOM 0 HA ALA A 50 0.162 -3.029 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.656 -3.320 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.920 -2.030 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.246 -3.622 6.689 1.00 0.00 H new ATOM 741 N GLY A 51 1.008 -5.165 3.621 1.00 0.00 N ATOM 742 CA GLY A 51 0.981 -6.437 2.903 1.00 0.00 C ATOM 743 C GLY A 51 -0.250 -6.539 2.003 1.00 0.00 C ATOM 744 O GLY A 51 -0.393 -7.489 1.237 1.00 0.00 O ATOM 0 H GLY A 51 1.320 -4.382 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.884 -6.537 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.982 -7.261 3.617 1.00 0.00 H new ATOM 748 N GLY A 52 -1.122 -5.528 2.078 1.00 0.00 N ATOM 749 CA GLY A 52 -2.234 -5.305 1.181 1.00 0.00 C ATOM 750 C GLY A 52 -3.300 -4.450 1.857 1.00 0.00 C ATOM 751 O GLY A 52 -3.011 -3.785 2.846 1.00 0.00 O ATOM 0 H GLY A 52 -1.058 -4.815 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.884 -4.812 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.663 -6.260 0.879 1.00 0.00 H new ATOM 755 N ASP A 53 -4.484 -4.420 1.244 1.00 0.00 N ATOM 756 CA ASP A 53 -5.731 -3.805 1.675 1.00 0.00 C ATOM 757 C ASP A 53 -5.624 -2.945 2.931 1.00 0.00 C ATOM 758 O ASP A 53 -5.646 -3.389 4.078 1.00 0.00 O ATOM 759 CB ASP A 53 -6.923 -4.760 1.701 1.00 0.00 C ATOM 760 CG ASP A 53 -8.237 -3.970 1.740 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.177 -2.724 1.898 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.282 -4.627 1.572 1.00 0.00 O ATOM 0 H ASP A 53 -4.600 -4.875 0.339 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.946 -3.095 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.903 -5.402 0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.857 -5.412 2.572 1.00 0.00 H new ATOM 766 N ALA A 54 -5.531 -1.663 2.638 1.00 0.00 N ATOM 767 CA ALA A 54 -5.642 -0.591 3.587 1.00 0.00 C ATOM 768 C ALA A 54 -6.642 0.411 3.010 1.00 0.00 C ATOM 769 O ALA A 54 -6.678 1.575 3.400 1.00 0.00 O ATOM 770 CB ALA A 54 -4.222 -0.072 3.752 1.00 0.00 C ATOM 0 H ALA A 54 -5.369 -1.333 1.687 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.021 -0.857 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.217 0.753 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.582 -0.874 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.848 0.277 2.790 1.00 0.00 H new ATOM 776 N THR A 55 -7.473 -0.074 2.079 1.00 0.00 N ATOM 777 CA THR A 55 -8.443 0.702 1.336 1.00 0.00 C ATOM 778 C THR A 55 -9.561 1.067 2.295 1.00 0.00 C ATOM 779 O THR A 55 -9.891 2.238 2.446 1.00 0.00 O ATOM 780 CB THR A 55 -8.952 -0.140 0.157 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.904 -0.528 -0.701 1.00 0.00 O ATOM 782 CG2 THR A 55 -9.942 0.656 -0.695 1.00 0.00 C ATOM 0 H THR A 55 -7.479 -1.061 1.821 1.00 0.00 H new ATOM 0 HA THR A 55 -8.012 1.616 0.927 1.00 0.00 H new ATOM 0 HB THR A 55 -9.425 -1.017 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.085 -0.660 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.288 0.038 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.794 0.952 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.451 1.546 -1.087 1.00 0.00 H new ATOM 790 N GLU A 56 -10.069 0.063 3.017 1.00 0.00 N ATOM 791 CA GLU A 56 -11.034 0.280 4.080 1.00 0.00 C ATOM 792 C GLU A 56 -10.496 1.269 5.124 1.00 0.00 C ATOM 793 O GLU A 56 -11.110 2.307 5.363 1.00 0.00 O ATOM 794 CB GLU A 56 -11.422 -1.079 4.679 1.00 0.00 C ATOM 795 CG GLU A 56 -12.531 -0.939 5.733 1.00 0.00 C ATOM 796 CD GLU A 56 -12.998 -2.291 6.257 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.227 -2.892 7.034 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.114 -2.698 5.866 1.00 0.00 O ATOM 0 H GLU A 56 -9.819 -0.916 2.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.936 0.742 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.757 -1.745 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.545 -1.541 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.167 -0.335 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.378 -0.407 5.299 1.00 0.00 H new ATOM 803 N ASN A 57 -9.317 0.995 5.707 1.00 0.00 N ATOM 804 CA ASN A 57 -8.792 1.846 6.776 1.00 0.00 C ATOM 805 C ASN A 57 -8.482 3.263 6.271 1.00 0.00 C ATOM 806 O ASN A 57 -8.605 4.227 7.022 1.00 0.00 O ATOM 807 CB ASN A 57 -7.559 1.217 7.449 1.00 0.00 C ATOM 808 CG ASN A 57 -7.421 1.621 8.920 1.00 0.00 C ATOM 809 OD1 ASN A 57 -6.990 0.826 9.740 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.760 2.847 9.297 1.00 0.00 N ATOM 0 H ASN A 57 -8.722 0.205 5.459 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.574 1.928 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.626 0.131 7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.662 1.517 6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.661 3.126 10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.120 3.510 8.611 1.00 0.00 H new ATOM 816 N PHE A 58 -8.065 3.397 5.009 1.00 0.00 N ATOM 817 CA PHE A 58 -7.926 4.701 4.374 1.00 0.00 C ATOM 818 C PHE A 58 -9.285 5.407 4.237 1.00 0.00 C ATOM 819 O PHE A 58 -9.473 6.463 4.829 1.00 0.00 O ATOM 820 CB PHE A 58 -7.208 4.539 3.033 1.00 0.00 C ATOM 821 CG PHE A 58 -6.883 5.838 2.326 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.788 6.610 2.754 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.562 6.183 1.143 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.318 7.669 1.957 1.00 0.00 C ATOM 825 CE2 PHE A 58 -7.110 7.260 0.359 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.977 7.992 0.757 1.00 0.00 C ATOM 0 H PHE A 58 -7.818 2.611 4.408 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.317 5.347 5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.281 3.989 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.828 3.929 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.308 6.389 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.431 5.620 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.451 8.234 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.633 7.525 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.613 8.802 0.142 1.00 0.00 H new ATOM 835 N GLU A 59 -10.234 4.830 3.486 1.00 0.00 N ATOM 836 CA GLU A 59 -11.545 5.401 3.178 1.00 0.00 C ATOM 837 C GLU A 59 -12.339 5.762 4.440 1.00 0.00 C ATOM 838 O GLU A 59 -12.981 6.813 4.474 1.00 0.00 O ATOM 839 CB GLU A 59 -12.331 4.457 2.250 1.00 0.00 C ATOM 840 CG GLU A 59 -11.756 4.458 0.819 1.00 0.00 C ATOM 841 CD GLU A 59 -12.575 3.646 -0.184 1.00 0.00 C ATOM 842 OE1 GLU A 59 -13.810 3.595 -0.015 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.951 3.127 -1.138 1.00 0.00 O ATOM 0 H GLU A 59 -10.099 3.913 3.060 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.384 6.341 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.304 3.444 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.377 4.761 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.688 5.487 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.741 4.063 0.847 1.00 0.00 H new ATOM 848 N ASP A 60 -12.246 4.936 5.488 1.00 0.00 N ATOM 849 CA ASP A 60 -12.749 5.230 6.828 1.00 0.00 C ATOM 850 C ASP A 60 -12.452 6.681 7.260 1.00 0.00 C ATOM 851 O ASP A 60 -13.325 7.388 7.759 1.00 0.00 O ATOM 852 CB ASP A 60 -12.110 4.207 7.770 1.00 0.00 C ATOM 853 CG ASP A 60 -12.643 4.329 9.187 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.811 3.938 9.390 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.869 4.816 10.038 1.00 0.00 O ATOM 0 H ASP A 60 -11.805 4.019 5.422 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.836 5.149 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.301 3.201 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.029 4.345 7.776 1.00 0.00 H new ATOM 859 N VAL A 61 -11.223 7.140 6.992 1.00 0.00 N ATOM 860 CA VAL A 61 -10.793 8.525 7.154 1.00 0.00 C ATOM 861 C VAL A 61 -10.291 9.042 5.793 1.00 0.00 C ATOM 862 O VAL A 61 -9.203 9.601 5.715 1.00 0.00 O ATOM 863 CB VAL A 61 -9.701 8.596 8.250 1.00 0.00 C ATOM 864 CG1 VAL A 61 -9.489 10.037 8.740 1.00 0.00 C ATOM 865 CG2 VAL A 61 -10.048 7.736 9.475 1.00 0.00 C ATOM 0 H VAL A 61 -10.480 6.533 6.645 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.618 9.161 7.476 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.793 8.216 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.716 10.050 9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.180 10.664 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.421 10.421 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.252 7.819 10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.985 8.083 9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.153 6.695 9.171 1.00 0.00 H new ATOM 875 N GLY A 62 -11.053 8.825 4.707 1.00 0.00 N ATOM 876 CA GLY A 62 -10.631 9.016 3.311 1.00 0.00 C ATOM 877 C GLY A 62 -9.958 10.365 3.013 1.00 0.00 C ATOM 878 O GLY A 62 -10.600 11.307 2.549 1.00 0.00 O ATOM 0 H GLY A 62 -12.017 8.499 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.941 8.216 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.504 8.913 2.666 1.00 0.00 H new ATOM 882 N HIS A 63 -8.636 10.390 3.209 1.00 0.00 N ATOM 883 CA HIS A 63 -7.705 11.520 3.286 1.00 0.00 C ATOM 884 CB HIS A 63 -6.290 10.957 3.153 1.00 0.00 C ATOM 885 CG HIS A 63 -5.793 10.066 4.259 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.506 9.345 5.190 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.476 9.924 4.564 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.625 8.775 6.029 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.368 9.105 5.685 1.00 0.00 N ATOM 0 H HIS A 63 -8.133 9.511 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.237 10.397 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.601 11.796 3.061 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.521 9.259 5.235 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.652 10.371 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.889 8.141 6.862 1.00 0.00 H new ATOM 896 N SER A 64 -7.111 13.759 2.541 1.00 0.00 N ATOM 897 CA SER A 64 -6.992 14.969 1.727 1.00 0.00 C ATOM 898 C SER A 64 -6.611 14.752 0.259 1.00 0.00 C ATOM 899 O SER A 64 -5.954 13.782 -0.113 1.00 0.00 O ATOM 900 CB SER A 64 -5.882 15.832 2.340 1.00 0.00 C ATOM 901 OG SER A 64 -4.659 15.120 2.288 1.00 0.00 O ATOM 0 HA SER A 64 -7.984 15.421 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.793 16.772 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.127 16.083 3.372 1.00 0.00 H new ATOM 0 HG SER A 64 -4.186 15.219 3.141 1.00 0.00 H new ATOM 906 N THR A 65 -6.957 15.725 -0.589 1.00 0.00 N ATOM 907 CA THR A 65 -6.456 15.838 -1.957 1.00 0.00 C ATOM 908 C THR A 65 -4.951 15.659 -1.994 1.00 0.00 C ATOM 909 O THR A 65 -4.437 14.834 -2.732 1.00 0.00 O ATOM 910 CB THR A 65 -6.788 17.244 -2.483 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.816 18.187 -1.416 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.180 17.246 -3.112 1.00 0.00 C ATOM 0 H THR A 65 -7.606 16.470 -0.336 1.00 0.00 H new ATOM 0 HA THR A 65 -6.922 15.066 -2.569 1.00 0.00 H new ATOM 0 HB THR A 65 -6.022 17.513 -3.211 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.901 18.365 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.410 18.245 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.207 16.537 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.918 16.958 -2.363 1.00 0.00 H new ATOM 920 N ASP A 66 -4.271 16.413 -1.152 1.00 0.00 N ATOM 921 CA ASP A 66 -2.857 16.393 -0.867 1.00 0.00 C ATOM 922 C ASP A 66 -2.354 14.949 -0.695 1.00 0.00 C ATOM 923 O ASP A 66 -1.384 14.537 -1.327 1.00 0.00 O ATOM 924 CB ASP A 66 -2.695 17.265 0.386 1.00 0.00 C ATOM 925 CG ASP A 66 -3.326 18.651 0.227 1.00 0.00 C ATOM 926 OD1 ASP A 66 -4.566 18.688 0.016 1.00 0.00 O ATOM 927 OD2 ASP A 66 -2.563 19.634 0.305 1.00 0.00 O ATOM 0 H ASP A 66 -4.747 17.124 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.248 16.789 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.150 16.759 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.634 17.377 0.611 1.00 0.00 H new ATOM 931 N ALA A 67 -3.067 14.145 0.097 1.00 0.00 N ATOM 932 CA ALA A 67 -2.772 12.718 0.235 1.00 0.00 C ATOM 933 C ALA A 67 -3.001 11.923 -1.070 1.00 0.00 C ATOM 934 O ALA A 67 -2.182 11.083 -1.447 1.00 0.00 O ATOM 935 CB ALA A 67 -3.580 12.125 1.389 1.00 0.00 C ATOM 0 H ALA A 67 -3.859 14.462 0.656 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.709 12.630 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.354 11.063 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.319 12.636 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.644 12.253 1.191 1.00 0.00 H new ATOM 941 N ARG A 68 -4.104 12.179 -1.782 1.00 0.00 N ATOM 942 CA ARG A 68 -4.382 11.552 -3.084 1.00 0.00 C ATOM 943 C ARG A 68 -3.344 11.945 -4.149 1.00 0.00 C ATOM 944 O ARG A 68 -3.028 11.163 -5.043 1.00 0.00 O ATOM 945 CB ARG A 68 -5.796 11.905 -3.582 1.00 0.00 C ATOM 946 CG ARG A 68 -6.945 11.094 -2.946 1.00 0.00 C ATOM 947 CD ARG A 68 -7.346 11.757 -1.626 1.00 0.00 C ATOM 948 NE ARG A 68 -8.526 11.200 -0.937 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.804 11.518 -1.170 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.215 11.846 -2.387 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.678 11.540 -0.171 1.00 0.00 N ATOM 0 H ARG A 68 -4.830 12.826 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.318 10.475 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.975 12.964 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.828 11.762 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.798 11.054 -3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.629 10.066 -2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.497 11.701 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.531 12.814 -1.818 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.350 10.504 -0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.553 11.858 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.193 12.086 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.375 11.314 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.652 11.783 -0.351 1.00 0.00 H new ATOM 962 N GLU A 69 -2.791 13.147 -4.047 1.00 0.00 N ATOM 963 CA GLU A 69 -1.662 13.584 -4.855 1.00 0.00 C ATOM 964 C GLU A 69 -0.392 12.831 -4.440 1.00 0.00 C ATOM 965 O GLU A 69 0.291 12.235 -5.272 1.00 0.00 O ATOM 966 CB GLU A 69 -1.521 15.107 -4.733 1.00 0.00 C ATOM 967 CG GLU A 69 -2.622 15.843 -5.517 1.00 0.00 C ATOM 968 CD GLU A 69 -2.603 15.520 -7.004 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.505 15.531 -7.603 1.00 0.00 O ATOM 970 OE2 GLU A 69 -3.656 15.126 -7.555 1.00 0.00 O ATOM 0 H GLU A 69 -3.120 13.855 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.830 13.350 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.568 15.394 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.543 15.413 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.595 15.577 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.501 16.918 -5.382 1.00 0.00 H new ATOM 975 N LEU A 70 -0.113 12.790 -3.137 1.00 0.00 N ATOM 976 CA LEU A 70 1.005 12.038 -2.577 1.00 0.00 C ATOM 977 C LEU A 70 0.985 10.581 -3.061 1.00 0.00 C ATOM 978 O LEU A 70 2.018 10.042 -3.441 1.00 0.00 O ATOM 979 CB LEU A 70 0.982 12.091 -1.041 1.00 0.00 C ATOM 980 CG LEU A 70 2.334 11.837 -0.337 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.383 11.050 -1.122 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.965 13.151 0.103 1.00 0.00 C ATOM 0 H LEU A 70 -0.664 13.284 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 70 1.928 12.502 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.614 13.071 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.263 11.354 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 70 2.055 11.203 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.284 10.941 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.989 10.064 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.625 11.583 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.916 12.951 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.135 13.783 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.297 13.661 0.797 1.00 0.00 H new ATOM 993 N SER A 71 -0.194 9.947 -3.100 1.00 0.00 N ATOM 994 CA SER A 71 -0.364 8.565 -3.546 1.00 0.00 C ATOM 995 C SER A 71 0.453 8.248 -4.805 1.00 0.00 C ATOM 996 O SER A 71 1.142 7.234 -4.873 1.00 0.00 O ATOM 997 CB SER A 71 -1.849 8.279 -3.790 1.00 0.00 C ATOM 998 OG SER A 71 -1.994 7.095 -4.546 1.00 0.00 O ATOM 0 H SER A 71 -1.068 10.390 -2.817 1.00 0.00 H new ATOM 0 HA SER A 71 0.012 7.917 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.370 8.179 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.307 9.116 -4.317 1.00 0.00 H new ATOM 0 HG SER A 71 -2.308 6.372 -3.964 1.00 0.00 H new ATOM 1003 N LYS A 72 0.463 9.177 -5.762 1.00 0.00 N ATOM 1004 CA LYS A 72 1.191 9.032 -7.027 1.00 0.00 C ATOM 1005 C LYS A 72 2.688 8.741 -6.805 1.00 0.00 C ATOM 1006 O LYS A 72 3.316 8.012 -7.566 1.00 0.00 O ATOM 1007 CB LYS A 72 0.992 10.301 -7.870 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.490 10.691 -7.953 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.679 11.953 -8.803 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.160 12.360 -8.811 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.334 13.752 -9.275 1.00 0.00 N ATOM 0 H LYS A 72 -0.039 10.061 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 72 0.787 8.172 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.562 11.122 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.384 10.138 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.062 9.869 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.882 10.862 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.072 12.765 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.337 11.770 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.721 11.686 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.573 12.255 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.219 14.138 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.533 14.329 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.373 13.769 -10.314 1.00 0.00 H new ATOM 1021 N THR A 73 3.230 9.315 -5.731 1.00 0.00 N ATOM 1022 CA THR A 73 4.606 9.185 -5.229 1.00 0.00 C ATOM 1023 C THR A 73 4.831 8.025 -4.234 1.00 0.00 C ATOM 1024 O THR A 73 5.966 7.728 -3.869 1.00 0.00 O ATOM 1025 CB THR A 73 5.020 10.569 -4.670 1.00 0.00 C ATOM 1026 OG1 THR A 73 5.572 11.336 -5.717 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.991 10.607 -3.487 1.00 0.00 C ATOM 0 H THR A 73 2.677 9.934 -5.139 1.00 0.00 H new ATOM 0 HA THR A 73 5.257 8.898 -6.055 1.00 0.00 H new ATOM 0 HB THR A 73 4.090 10.967 -4.265 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.836 12.215 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.185 11.643 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.553 10.080 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.927 10.125 -3.769 1.00 0.00 H new ATOM 1035 N PHE A 74 3.765 7.345 -3.819 1.00 0.00 N ATOM 1036 CA PHE A 74 3.760 6.226 -2.867 1.00 0.00 C ATOM 1037 C PHE A 74 3.326 4.908 -3.510 1.00 0.00 C ATOM 1038 O PHE A 74 3.566 3.830 -2.965 1.00 0.00 O ATOM 1039 CB PHE A 74 2.818 6.627 -1.743 1.00 0.00 C ATOM 1040 CG PHE A 74 3.399 7.474 -0.631 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.765 7.823 -0.539 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.507 7.903 0.357 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.211 8.637 0.516 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.948 8.723 1.402 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.280 9.151 1.432 1.00 0.00 C ATOM 0 H PHE A 74 2.828 7.569 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 74 4.769 6.043 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.980 7.170 -2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.412 5.718 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.466 7.465 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.471 7.600 0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.261 8.865 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.264 9.024 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.593 9.881 2.164 1.00 0.00 H new ATOM 1054 N ILE A 75 2.673 4.992 -4.664 1.00 0.00 N ATOM 1055 CA ILE A 75 2.234 3.836 -5.415 1.00 0.00 C ATOM 1056 C ILE A 75 3.402 3.193 -6.152 1.00 0.00 C ATOM 1057 O ILE A 75 4.313 3.863 -6.633 1.00 0.00 O ATOM 1058 CB ILE A 75 1.132 4.280 -6.399 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.197 4.230 -5.637 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.063 3.464 -7.701 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.388 4.456 -6.558 1.00 0.00 C ATOM 0 H ILE A 75 2.434 5.880 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 75 1.832 3.085 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 75 1.366 5.288 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.297 3.263 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.195 4.988 -4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.259 3.848 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.011 3.547 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.870 2.418 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.310 4.413 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.302 5.435 -7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.406 3.683 -7.326 1.00 0.00 H new ATOM 1072 N ILE A 76 3.306 1.875 -6.296 1.00 0.00 N ATOM 1073 CA ILE A 76 4.167 1.071 -7.154 1.00 0.00 C ATOM 1074 C ILE A 76 3.389 0.450 -8.328 1.00 0.00 C ATOM 1075 O ILE A 76 3.988 0.109 -9.350 1.00 0.00 O ATOM 1076 CB ILE A 76 4.890 0.016 -6.315 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.863 -0.926 -5.677 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.767 0.689 -5.249 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.574 -2.026 -4.891 1.00 0.00 C ATOM 0 H ILE A 76 2.605 1.321 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 76 4.917 1.722 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 76 5.545 -0.572 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.204 -0.363 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.235 -1.369 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.275 -0.075 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.507 1.324 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.142 1.296 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.834 -2.689 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.214 -2.598 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.182 -1.577 -4.106 1.00 0.00 H new ATOM 1090 N GLY A 77 2.065 0.287 -8.189 1.00 0.00 N ATOM 1091 CA GLY A 77 1.176 -0.073 -9.290 1.00 0.00 C ATOM 1092 C GLY A 77 -0.164 -0.655 -8.836 1.00 0.00 C ATOM 1093 O GLY A 77 -0.968 0.058 -8.242 1.00 0.00 O ATOM 0 H GLY A 77 1.582 0.404 -7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.990 0.812 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.679 -0.799 -9.929 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.408 -1.938 -9.121 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.706 -2.597 -8.975 1.00 0.00 C ATOM 1099 C GLU A 78 -1.593 -4.020 -8.418 1.00 0.00 C ATOM 1100 O GLU A 78 -0.594 -4.707 -8.614 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.350 -2.681 -10.355 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.795 -1.331 -10.942 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.644 -1.516 -12.193 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.749 -2.088 -12.034 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.159 -1.167 -13.289 1.00 0.00 O ATOM 0 H GLU A 78 0.317 -2.565 -9.471 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.297 -2.011 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.643 -3.145 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.217 -3.339 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.364 -0.778 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.917 -0.731 -11.183 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.689 -4.469 -7.805 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.860 -5.776 -7.154 1.00 0.00 C ATOM 1112 C LEU A 79 -2.989 -6.961 -8.108 1.00 0.00 C ATOM 1113 O LEU A 79 -3.018 -8.090 -7.649 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.979 -5.641 -6.086 1.00 0.00 C ATOM 1115 CG LEU A 79 -5.024 -6.764 -5.940 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.601 -7.830 -4.949 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.366 -6.218 -5.442 1.00 0.00 C ATOM 0 H LEU A 79 -3.533 -3.899 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.935 -6.044 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.494 -5.517 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.519 -4.717 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.116 -7.195 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.374 -8.596 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.667 -8.284 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.457 -7.378 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.080 -7.036 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.228 -5.746 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.746 -5.483 -6.152 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.995 -6.704 -9.418 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.961 -7.684 -10.501 1.00 0.00 C ATOM 1130 C HIS A 80 -4.331 -8.213 -10.875 1.00 0.00 C ATOM 1131 O HIS A 80 -5.119 -8.647 -10.039 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.924 -8.780 -10.277 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.606 -9.752 -11.382 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.221 -10.937 -11.688 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.513 -9.651 -12.195 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.582 -11.465 -12.748 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.521 -10.720 -13.087 1.00 0.00 N ATOM 0 H HIS A 80 -3.026 -5.747 -9.770 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.621 -7.139 -11.382 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.991 -8.291 -9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.250 -9.363 -9.416 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.233 -8.872 -12.153 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.884 -12.368 -13.257 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.142 -10.899 -13.841 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.678 -8.162 -12.163 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.978 -8.632 -12.582 1.00 0.00 C ATOM 1146 C PRO A 81 -6.182 -10.132 -12.432 1.00 0.00 C ATOM 1147 O PRO A 81 -7.284 -10.596 -12.704 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.073 -8.253 -14.049 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.637 -8.071 -14.533 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.890 -7.655 -13.278 1.00 0.00 C ATOM 0 HA PRO A 81 -6.746 -8.183 -11.952 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.581 -9.030 -14.620 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.647 -7.335 -14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.235 -8.993 -14.952 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.569 -7.311 -15.311 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.883 -8.071 -13.266 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.788 -6.571 -13.224 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.161 -10.870 -11.985 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.422 -12.283 -11.634 1.00 0.00 C ATOM 1157 C ASP A 82 -5.762 -12.432 -10.141 1.00 0.00 C ATOM 1158 O ASP A 82 -5.749 -13.530 -9.592 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.289 -13.190 -12.143 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.702 -14.645 -12.329 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.728 -14.870 -13.004 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.931 -15.507 -11.858 1.00 0.00 O ATOM 0 H ASP A 82 -4.202 -10.547 -11.860 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.315 -12.630 -12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.924 -12.801 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.457 -13.145 -11.440 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.053 -11.299 -9.490 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.169 -11.176 -8.059 1.00 0.00 C ATOM 1168 C ASP A 83 -7.412 -10.335 -7.680 1.00 0.00 C ATOM 1169 O ASP A 83 -8.169 -10.703 -6.783 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.832 -10.535 -7.683 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.304 -11.031 -6.358 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -5.115 -11.135 -5.416 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -3.084 -11.314 -6.315 1.00 0.00 O ATOM 0 H ASP A 83 -6.218 -10.418 -9.978 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.331 -12.111 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.100 -10.745 -8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.951 -9.452 -7.640 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.639 -9.221 -8.395 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.884 -8.443 -8.328 1.00 0.00 C ATOM 1179 C ARG A 84 -10.108 -9.261 -8.775 1.00 0.00 C ATOM 1180 O ARG A 84 -10.008 -9.911 -9.839 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.799 -7.196 -9.227 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.036 -6.017 -8.611 1.00 0.00 C ATOM 1183 CD ARG A 84 -6.534 -6.086 -8.881 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.213 -5.855 -10.296 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.888 -4.681 -10.856 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -5.765 -3.572 -10.144 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.637 -4.569 -12.149 1.00 0.00 N ATOM 1188 OXT ARG A 84 -11.149 -9.142 -8.093 1.00 0.00 O ATOM 0 H ARG A 84 -6.954 -8.832 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.005 -8.158 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.318 -7.473 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.810 -6.870 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.431 -5.084 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.208 -6.000 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.022 -5.344 -8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.157 -7.063 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.240 -6.667 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.919 -3.593 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.516 -2.696 -10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.688 -5.391 -12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.392 -3.661 -12.544 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.682 8.694 6.588 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.581 11.329 8.663 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.061 10.970 4.485 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.237 6.203 4.230 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.342 6.480 8.691 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.289 10.745 6.626 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.809 11.609 7.539 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.529 12.950 7.080 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.723 12.845 5.970 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.641 11.446 5.648 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.180 13.967 5.114 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.276 14.180 7.541 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.707 14.225 7.023 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.833 14.349 5.501 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.748 13.705 4.943 1.00 0.00 O HETATM 1215 O2A HEM A 201 -4.039 15.105 4.901 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.747 8.588 4.757 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.136 9.640 4.103 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.657 9.159 2.834 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.964 7.824 2.804 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.702 7.467 3.983 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.169 10.010 1.689 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.339 6.817 1.876 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.990 6.408 0.774 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.217 6.712 6.464 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.948 5.895 5.388 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.554 4.612 5.654 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.050 4.689 6.932 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.890 6.027 7.439 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.645 3.433 4.712 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.807 3.591 7.635 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.168 2.501 8.116 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.703 8.864 8.420 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.269 7.822 9.096 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.831 8.360 10.317 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.695 9.735 10.260 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.938 10.038 9.067 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.482 7.568 11.429 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.210 10.780 11.236 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.425 10.438 12.094 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.933 11.668 12.835 1.00 0.00 C HETATM 1241 O1D HEM A 201 -7.439 12.576 12.141 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.789 11.683 14.076 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.313 13.613 4.557 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.886 14.801 5.751 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.950 14.297 4.416 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.583 9.461 1.122 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.270 10.928 2.079 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.006 10.257 1.036 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.688 3.791 3.684 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.544 2.858 4.934 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.768 2.798 4.838 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.330 8.081 12.379 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -5.036 6.575 11.478 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.550 7.476 11.233 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.529 5.678 0.108 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.979 6.806 0.546 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.732 1.717 8.622 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.089 2.406 7.998 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.220 15.067 7.486 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.224 13.321 7.344 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.744 15.070 7.206 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.287 14.207 8.631 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.161 9.660 12.811 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.218 10.035 11.464 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.449 11.677 10.665 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.392 11.038 11.908 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.926 12.160 9.260 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.529 11.663 3.850 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.094 5.429 3.491 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.766 5.760 9.375 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.650 6.416 2.100 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.887 3.677 7.757 1.00 0.00 H new