USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 659 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 57 ASN : amide:sc= -4.26! C(o=-5.7!,f=-7.4!) USER MOD Set 1.2: A 201 HEM CMC :methyl 150:sc= -1.43 (180deg=-0.504) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -3.12 K(o=-2.4,f=-20!) USER MOD Set 2.2: A 19 LYS NZ :NH3+ -166:sc= 0.353 (180deg=-0.0426) USER MOD Set 2.3: A 20 SER OG : rot -57:sc= 0.357 USER MOD Set 3.1: A 17 ASN : amide:sc= 0.192 K(o=0.19,f=-6.5!) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 14:sc= 2.23 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 13 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.077) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.924) USER MOD Single : A 16 ASN : amide:sc= 0.712 K(o=0.71,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.0252 USER MOD Single : A 26 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.34) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 1.17 (180deg=1.07) USER MOD Single : A 30 TYR OH : rot 28:sc= 1.11 USER MOD Single : A 33 THR OG1 : rot 92:sc= 2.01 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 2.1 (180deg=1.54) USER MOD Single : A 49 GLN : amide:sc= -0.0395 X(o=-0.039,f=-0.08) USER MOD Single : A 55 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 61 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.5!) USER MOD Single : A 64 SER OG : rot -130:sc= 2.15 USER MOD Single : A 65 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 71 SER OG : rot -37:sc= 1.73 USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= 0.623 (180deg=-3.41!) USER MOD Single : A 73 THR OG1 : rot -34:sc= 0.175 USER MOD Single : A 80 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-1.6) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.1 (180deg=-0.469) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.87 (180deg=-5.11!) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0369 (180deg=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -4.356 21.189 1.086 1.00 10.00 N ATOM 2 CA ALA A 3 -5.282 20.158 1.587 1.00 10.00 C ATOM 3 C ALA A 3 -4.812 18.807 1.060 1.00 10.00 C ATOM 4 O ALA A 3 -3.901 18.790 0.235 1.00 10.00 O ATOM 5 CB ALA A 3 -6.718 20.447 1.137 1.00 10.00 C ATOM 0 HA ALA A 3 -5.282 20.156 2.677 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.382 19.672 1.519 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.032 21.417 1.523 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -6.763 20.458 0.048 1.00 10.00 H new ATOM 13 N VAL A 4 -5.423 17.709 1.508 1.00 10.00 N ATOM 14 CA VAL A 4 -5.244 16.412 0.864 1.00 10.00 C ATOM 15 C VAL A 4 -5.796 16.457 -0.572 1.00 10.00 C ATOM 16 O VAL A 4 -6.498 17.395 -0.947 1.00 10.00 O ATOM 17 CB VAL A 4 -5.862 15.274 1.703 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.015 14.915 2.928 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.299 15.543 2.173 1.00 10.00 C ATOM 0 H VAL A 4 -6.046 17.695 2.315 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.178 16.194 0.801 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.884 14.435 1.008 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.498 14.109 3.481 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.026 14.591 2.604 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.918 15.789 3.572 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.656 14.694 2.755 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.318 16.440 2.791 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.944 15.686 1.306 1.00 10.00 H new ATOM 29 N LYS A 5 -5.452 15.444 -1.372 1.00 10.00 N ATOM 30 CA LYS A 5 -5.837 15.303 -2.773 1.00 10.00 C ATOM 31 C LYS A 5 -7.038 14.370 -2.808 1.00 10.00 C ATOM 32 O LYS A 5 -8.104 14.712 -3.313 1.00 10.00 O ATOM 33 CB LYS A 5 -4.633 14.748 -3.562 1.00 10.00 C ATOM 34 CG LYS A 5 -4.972 14.043 -4.885 1.00 10.00 C ATOM 35 CD LYS A 5 -5.765 14.924 -5.862 1.00 10.00 C ATOM 36 CE LYS A 5 -6.170 14.088 -7.085 1.00 10.00 C ATOM 37 NZ LYS A 5 -7.045 14.839 -8.008 1.00 10.00 N ATOM 0 H LYS A 5 -4.874 14.670 -1.045 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.113 16.252 -3.233 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -3.951 15.571 -3.774 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.096 14.046 -2.924 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.047 13.723 -5.365 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -5.548 13.142 -4.671 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -6.652 15.324 -5.371 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -5.161 15.776 -6.173 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.274 13.767 -7.617 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -6.684 13.186 -6.753 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -7.293 14.236 -8.818 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -7.912 15.124 -7.510 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -6.546 15.686 -8.347 1.00 10.00 H new ATOM 51 N TYR A 6 -6.812 13.186 -2.249 1.00 10.00 N ATOM 52 CA TYR A 6 -7.766 12.115 -2.099 1.00 10.00 C ATOM 53 C TYR A 6 -8.047 11.352 -3.367 1.00 10.00 C ATOM 54 O TYR A 6 -7.854 11.809 -4.493 1.00 10.00 O ATOM 55 CB TYR A 6 -9.085 12.526 -1.449 1.00 10.00 C ATOM 56 CG TYR A 6 -9.010 13.219 -0.122 1.00 10.00 C ATOM 57 CD1 TYR A 6 -7.996 12.788 0.740 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.214 13.696 0.424 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.303 12.488 2.061 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.486 13.493 1.786 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.569 12.797 2.586 1.00 10.00 C ATOM 62 OH TYR A 6 -9.950 12.363 3.822 1.00 10.00 O ATOM 0 H TYR A 6 -5.898 12.943 -1.868 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.251 11.446 -1.410 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.613 13.181 -2.142 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -9.695 11.631 -1.328 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.982 12.689 0.381 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.926 14.216 -0.201 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.563 12.014 2.689 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.401 13.873 2.217 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.165 12.040 4.312 1.00 10.00 H new ATOM 72 N TYR A 7 -8.453 10.125 -3.078 1.00 10.00 N ATOM 73 CA TYR A 7 -8.323 8.966 -3.898 1.00 10.00 C ATOM 74 C TYR A 7 -9.498 8.061 -3.545 1.00 10.00 C ATOM 75 O TYR A 7 -9.723 7.712 -2.388 1.00 10.00 O ATOM 76 CB TYR A 7 -6.967 8.393 -3.493 1.00 10.00 C ATOM 77 CG TYR A 7 -5.727 8.981 -4.163 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.786 9.823 -5.298 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.483 8.759 -3.552 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.635 10.485 -5.759 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.345 9.457 -3.986 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.410 10.296 -5.105 1.00 10.00 C ATOM 83 OH TYR A 7 -2.285 10.917 -5.557 1.00 10.00 O ATOM 0 H TYR A 7 -8.915 9.915 -2.193 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.349 9.123 -4.976 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.858 8.516 -2.415 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -6.981 7.321 -3.692 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.724 9.959 -5.815 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.401 8.047 -2.744 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.695 11.139 -6.617 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.412 9.346 -3.453 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.526 10.676 -4.986 1.00 10.00 H new ATOM 93 N THR A 8 -10.297 7.761 -4.558 1.00 10.00 N ATOM 94 CA THR A 8 -11.518 6.995 -4.429 1.00 10.00 C ATOM 95 C THR A 8 -11.172 5.516 -4.409 1.00 10.00 C ATOM 96 O THR A 8 -10.137 5.122 -4.943 1.00 10.00 O ATOM 97 CB THR A 8 -12.420 7.317 -5.625 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.673 7.158 -6.820 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.930 8.759 -5.545 1.00 10.00 C ATOM 0 H THR A 8 -10.105 8.053 -5.516 1.00 10.00 H new ATOM 0 HA THR A 8 -12.039 7.248 -3.505 1.00 10.00 H new ATOM 0 HB THR A 8 -13.275 6.641 -5.614 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.243 7.360 -7.591 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.569 8.967 -6.404 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.502 8.892 -4.627 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.083 9.445 -5.548 1.00 10.00 H new ATOM 107 N LEU A 9 -12.051 4.684 -3.852 1.00 10.00 N ATOM 108 CA LEU A 9 -11.927 3.241 -3.970 1.00 10.00 C ATOM 109 C LEU A 9 -11.760 2.823 -5.421 1.00 10.00 C ATOM 110 O LEU A 9 -10.937 1.954 -5.688 1.00 10.00 O ATOM 111 CB LEU A 9 -13.069 2.540 -3.237 1.00 10.00 C ATOM 112 CG LEU A 9 -13.362 1.079 -3.627 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.969 0.352 -2.420 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.358 0.975 -4.793 1.00 10.00 C ATOM 0 H LEU A 9 -12.860 4.992 -3.312 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.014 2.914 -3.473 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.853 2.568 -2.169 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.978 3.121 -3.394 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.419 0.629 -3.938 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.180 -0.684 -2.687 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.264 0.376 -1.589 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.895 0.846 -2.125 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.532 -0.075 -5.030 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.300 1.444 -4.510 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.949 1.482 -5.667 1.00 10.00 H new ATOM 126 N GLU A 10 -12.466 3.481 -6.354 1.00 10.00 N ATOM 127 CA GLU A 10 -12.233 3.252 -7.771 1.00 10.00 C ATOM 128 C GLU A 10 -10.740 3.307 -8.048 1.00 10.00 C ATOM 129 O GLU A 10 -10.155 2.296 -8.434 1.00 10.00 O ATOM 130 CB GLU A 10 -12.966 4.266 -8.663 1.00 10.00 C ATOM 131 CG GLU A 10 -12.677 3.913 -10.134 1.00 10.00 C ATOM 132 CD GLU A 10 -13.438 4.735 -11.157 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.201 5.633 -10.749 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.206 4.432 -12.351 1.00 10.00 O ATOM 0 H GLU A 10 -13.193 4.166 -6.147 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.631 2.267 -8.015 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.038 4.237 -8.469 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.629 5.279 -8.442 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -11.609 4.033 -10.317 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.911 2.860 -10.291 1.00 10.00 H new ATOM 141 N GLU A 11 -10.132 4.482 -7.841 1.00 10.00 N ATOM 142 CA GLU A 11 -8.726 4.661 -8.163 1.00 10.00 C ATOM 143 C GLU A 11 -7.911 3.646 -7.396 1.00 10.00 C ATOM 144 O GLU A 11 -7.017 3.019 -7.944 1.00 10.00 O ATOM 145 CB GLU A 11 -8.175 6.057 -7.833 1.00 10.00 C ATOM 146 CG GLU A 11 -8.387 7.094 -8.948 1.00 10.00 C ATOM 147 CD GLU A 11 -7.504 6.856 -10.181 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.649 5.814 -10.863 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.615 7.692 -10.461 1.00 10.00 O ATOM 0 H GLU A 11 -10.591 5.308 -7.457 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.647 4.531 -9.242 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.651 6.417 -6.921 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.108 5.975 -7.625 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.434 7.080 -9.252 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.184 8.089 -8.552 1.00 10.00 H new ATOM 156 N ILE A 12 -8.184 3.503 -6.108 1.00 10.00 N ATOM 157 CA ILE A 12 -7.347 2.673 -5.284 1.00 10.00 C ATOM 158 C ILE A 12 -7.312 1.256 -5.849 1.00 10.00 C ATOM 159 O ILE A 12 -6.226 0.713 -6.042 1.00 10.00 O ATOM 160 CB ILE A 12 -7.790 2.771 -3.818 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.524 4.187 -3.277 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.042 1.754 -2.963 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.424 4.539 -2.096 1.00 10.00 C ATOM 0 H ILE A 12 -8.966 3.946 -5.626 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.315 3.023 -5.299 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.858 2.559 -3.770 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.481 4.266 -2.971 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.677 4.913 -4.076 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.370 1.839 -1.927 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.250 0.748 -3.328 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.971 1.947 -3.022 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.196 5.548 -1.753 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.468 4.489 -2.406 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.252 3.832 -1.284 1.00 10.00 H new ATOM 175 N GLN A 13 -8.474 0.700 -6.198 1.00 10.00 N ATOM 176 CA GLN A 13 -8.541 -0.616 -6.818 1.00 10.00 C ATOM 177 C GLN A 13 -7.746 -0.605 -8.120 1.00 10.00 C ATOM 178 O GLN A 13 -6.924 -1.481 -8.382 1.00 10.00 O ATOM 179 CB GLN A 13 -9.995 -0.984 -7.134 1.00 10.00 C ATOM 180 CG GLN A 13 -10.786 -1.393 -5.886 1.00 10.00 C ATOM 181 CD GLN A 13 -12.242 -1.722 -6.207 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.942 -2.155 -5.267 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.630 -1.549 -7.383 1.00 10.00 N ATOM 0 H GLN A 13 -9.381 1.146 -6.060 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.125 -1.348 -6.126 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.486 -0.134 -7.608 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.010 -1.803 -7.853 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.312 -2.260 -5.426 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.751 -0.585 -5.155 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.984 -1.189 -8.086 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.593 -1.767 -7.640 1.00 10.00 H new ATOM 190 N LYS A 14 -8.027 0.412 -8.936 1.00 10.00 N ATOM 191 CA LYS A 14 -7.406 0.652 -10.229 1.00 10.00 C ATOM 192 C LYS A 14 -5.879 0.538 -10.107 1.00 10.00 C ATOM 193 O LYS A 14 -5.217 -0.137 -10.896 1.00 10.00 O ATOM 194 CB LYS A 14 -7.803 2.068 -10.678 1.00 10.00 C ATOM 195 CG LYS A 14 -8.204 2.260 -12.146 1.00 10.00 C ATOM 196 CD LYS A 14 -9.733 2.104 -12.273 1.00 10.00 C ATOM 197 CE LYS A 14 -10.278 2.572 -13.629 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.753 2.698 -13.611 1.00 10.00 N ATOM 0 H LYS A 14 -8.724 1.118 -8.699 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.740 -0.085 -10.960 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.636 2.397 -10.056 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -6.966 2.734 -10.468 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.896 3.246 -12.495 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.697 1.527 -12.774 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.999 1.057 -12.124 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.217 2.672 -11.479 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -9.834 3.533 -13.888 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -9.982 1.865 -14.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.102 2.833 -14.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.170 1.834 -13.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.024 3.516 -13.029 1.00 10.00 H new ATOM 212 N HIS A 15 -5.316 1.212 -9.102 1.00 10.00 N ATOM 213 CA HIS A 15 -3.903 1.202 -8.785 1.00 10.00 C ATOM 214 C HIS A 15 -3.516 -0.108 -8.096 1.00 10.00 C ATOM 215 O HIS A 15 -3.098 -0.137 -6.941 1.00 10.00 O ATOM 216 CB HIS A 15 -3.537 2.401 -7.912 1.00 10.00 C ATOM 217 CG HIS A 15 -3.410 3.724 -8.621 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.232 4.389 -8.866 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.422 4.546 -9.034 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.527 5.569 -9.431 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.850 5.698 -9.581 1.00 10.00 N ATOM 0 H HIS A 15 -5.859 1.799 -8.469 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.342 1.277 -9.717 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.292 2.501 -7.132 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.591 2.187 -7.414 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.295 4.045 -8.655 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.479 4.341 -8.952 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.799 6.311 -9.724 1.00 10.00 H new ATOM 229 N ASN A 16 -3.572 -1.192 -8.857 1.00 10.00 N ATOM 230 CA ASN A 16 -2.840 -2.417 -8.552 1.00 10.00 C ATOM 231 C ASN A 16 -2.228 -3.064 -9.800 1.00 10.00 C ATOM 232 O ASN A 16 -1.649 -4.154 -9.724 1.00 10.00 O ATOM 233 CB ASN A 16 -3.665 -3.346 -7.650 1.00 10.00 C ATOM 234 CG ASN A 16 -4.828 -4.055 -8.328 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.957 -4.058 -9.549 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.672 -4.691 -7.519 1.00 10.00 N ATOM 0 H ASN A 16 -4.130 -1.248 -9.709 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.964 -2.160 -7.956 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.999 -4.099 -7.228 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.055 -2.762 -6.816 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.462 -5.206 -7.909 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.529 -4.664 -6.509 1.00 10.00 H new ATOM 243 N ASN A 17 -2.248 -2.363 -10.945 1.00 10.00 N ATOM 244 CA ASN A 17 -1.480 -2.743 -12.113 1.00 10.00 C ATOM 245 C ASN A 17 -1.496 -1.594 -13.111 1.00 10.00 C ATOM 246 O ASN A 17 -2.448 -0.820 -13.124 1.00 10.00 O ATOM 247 CB ASN A 17 -2.027 -4.016 -12.779 1.00 10.00 C ATOM 248 CG ASN A 17 -1.008 -4.563 -13.771 1.00 10.00 C ATOM 249 OD1 ASN A 17 0.195 -4.418 -13.549 1.00 10.00 O ATOM 250 ND2 ASN A 17 -1.459 -5.200 -14.846 1.00 10.00 N ATOM 0 H ASN A 17 -2.803 -1.517 -11.074 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.461 -2.958 -11.792 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.248 -4.767 -12.021 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.963 -3.795 -13.291 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.801 -5.589 -15.522 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -2.463 -5.300 -14.996 1.00 10.00 H new ATOM 257 N SER A 18 -0.447 -1.501 -13.932 1.00 10.00 N ATOM 258 CA SER A 18 -0.324 -0.593 -15.072 1.00 10.00 C ATOM 259 C SER A 18 -0.892 0.806 -14.806 1.00 10.00 C ATOM 260 O SER A 18 -1.624 1.353 -15.628 1.00 10.00 O ATOM 261 CB SER A 18 -0.976 -1.247 -16.293 1.00 10.00 C ATOM 262 OG SER A 18 -0.450 -2.552 -16.457 1.00 10.00 O ATOM 0 H SER A 18 0.380 -2.086 -13.813 1.00 10.00 H new ATOM 0 HA SER A 18 0.737 -0.430 -15.259 1.00 10.00 H new ATOM 0 HB2 SER A 18 -2.057 -1.291 -16.163 1.00 10.00 H new ATOM 0 HB3 SER A 18 -0.786 -0.650 -17.185 1.00 10.00 H new ATOM 0 HG SER A 18 -0.865 -2.976 -17.237 1.00 10.00 H new ATOM 268 N LYS A 19 -0.552 1.371 -13.646 1.00 10.00 N ATOM 269 CA LYS A 19 -1.102 2.619 -13.141 1.00 10.00 C ATOM 270 C LYS A 19 -0.156 3.063 -12.021 1.00 10.00 C ATOM 271 O LYS A 19 0.669 3.955 -12.205 1.00 10.00 O ATOM 272 CB LYS A 19 -2.553 2.363 -12.677 1.00 10.00 C ATOM 273 CG LYS A 19 -3.320 3.606 -12.206 1.00 10.00 C ATOM 274 CD LYS A 19 -4.124 4.267 -13.344 1.00 10.00 C ATOM 275 CE LYS A 19 -4.536 5.733 -13.093 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.295 5.946 -11.841 1.00 10.00 N ATOM 0 H LYS A 19 0.135 0.956 -13.017 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.163 3.415 -13.883 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -3.104 1.906 -13.499 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.534 1.638 -11.863 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -3.999 3.327 -11.400 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.616 4.329 -11.794 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.531 4.224 -14.258 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -5.024 3.679 -13.520 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.639 6.351 -13.070 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -5.139 6.078 -13.933 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -5.735 6.888 -11.858 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -6.035 5.220 -11.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -4.650 5.879 -11.028 1.00 10.00 H new ATOM 290 N SER A 20 -0.236 2.376 -10.883 1.00 10.00 N ATOM 291 CA SER A 20 0.730 2.259 -9.808 1.00 10.00 C ATOM 292 C SER A 20 0.153 1.125 -8.949 1.00 10.00 C ATOM 293 O SER A 20 -0.854 0.524 -9.324 1.00 10.00 O ATOM 294 CB SER A 20 0.949 3.572 -9.021 1.00 10.00 C ATOM 295 OG SER A 20 0.331 4.681 -9.635 1.00 10.00 O ATOM 0 H SER A 20 -1.073 1.831 -10.676 1.00 10.00 H new ATOM 0 HA SER A 20 1.735 2.046 -10.173 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.557 3.455 -8.011 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.018 3.762 -8.928 1.00 10.00 H new ATOM 0 HG SER A 20 0.669 4.779 -10.549 1.00 10.00 H new ATOM 301 N THR A 21 0.785 0.830 -7.824 1.00 10.00 N ATOM 302 CA THR A 21 0.330 -0.154 -6.852 1.00 10.00 C ATOM 303 C THR A 21 0.106 0.520 -5.498 1.00 10.00 C ATOM 304 O THR A 21 1.063 0.950 -4.854 1.00 10.00 O ATOM 305 CB THR A 21 1.347 -1.293 -6.784 1.00 10.00 C ATOM 306 OG1 THR A 21 1.475 -1.848 -8.078 1.00 10.00 O ATOM 307 CG2 THR A 21 0.882 -2.393 -5.829 1.00 10.00 C ATOM 0 H THR A 21 1.658 1.283 -7.553 1.00 10.00 H new ATOM 0 HA THR A 21 -0.626 -0.581 -7.154 1.00 10.00 H new ATOM 0 HB THR A 21 2.296 -0.897 -6.422 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.703 -2.798 -8.005 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.626 -3.189 -5.802 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.758 -1.978 -4.829 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.069 -2.797 -6.175 1.00 10.00 H new ATOM 315 N TRP A 22 -1.163 0.630 -5.101 1.00 10.00 N ATOM 316 CA TRP A 22 -1.657 1.345 -3.934 1.00 10.00 C ATOM 317 C TRP A 22 -2.170 0.350 -2.897 1.00 10.00 C ATOM 318 O TRP A 22 -2.572 -0.751 -3.253 1.00 10.00 O ATOM 319 CB TRP A 22 -2.777 2.291 -4.393 1.00 10.00 C ATOM 320 CG TRP A 22 -2.310 3.571 -5.032 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.053 3.841 -5.445 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.087 4.749 -5.397 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.998 5.077 -6.041 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.240 5.678 -6.074 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.428 5.130 -5.216 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.725 6.888 -6.596 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.945 6.291 -5.809 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.106 7.144 -6.541 1.00 10.00 C ATOM 0 H TRP A 22 -1.920 0.191 -5.625 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.859 1.925 -3.471 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.412 1.760 -5.102 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.398 2.538 -3.532 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.209 3.178 -5.324 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.146 5.498 -6.413 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.074 4.515 -4.607 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.049 7.609 -7.032 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.993 6.529 -5.702 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.520 7.995 -7.061 1.00 10.00 H new ATOM 339 N LEU A 23 -2.193 0.721 -1.617 1.00 10.00 N ATOM 340 CA LEU A 23 -2.929 -0.021 -0.599 1.00 10.00 C ATOM 341 C LEU A 23 -3.424 0.920 0.485 1.00 10.00 C ATOM 342 O LEU A 23 -2.934 2.046 0.571 1.00 10.00 O ATOM 343 CB LEU A 23 -2.122 -1.176 0.014 1.00 10.00 C ATOM 344 CG LEU A 23 -0.637 -1.336 -0.307 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.217 -0.368 0.493 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.261 -2.765 0.088 1.00 10.00 C ATOM 0 H LEU A 23 -1.703 1.541 -1.260 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.782 -0.477 -1.102 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.210 -1.092 1.097 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.616 -2.104 -0.275 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.463 -1.132 -1.364 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.267 -0.512 0.237 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.076 0.655 0.259 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.074 -0.552 1.558 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.795 -2.934 -0.121 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.448 -2.909 1.152 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.862 -3.471 -0.485 1.00 10.00 H new ATOM 358 N ILE A 24 -4.387 0.453 1.295 1.00 10.00 N ATOM 359 CA ILE A 24 -4.944 1.225 2.402 1.00 10.00 C ATOM 360 C ILE A 24 -4.505 0.630 3.742 1.00 10.00 C ATOM 361 O ILE A 24 -4.828 -0.515 4.072 1.00 10.00 O ATOM 362 CB ILE A 24 -6.478 1.389 2.298 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.985 1.339 0.845 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.895 2.697 2.967 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.481 1.622 0.708 1.00 10.00 C ATOM 0 H ILE A 24 -4.799 -0.475 1.195 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.541 2.236 2.340 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.936 0.545 2.813 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.431 2.065 0.251 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.770 0.355 0.428 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.976 2.814 2.895 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.602 2.679 4.017 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.405 3.533 2.468 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.766 1.570 -0.343 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -9.045 0.881 1.275 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.700 2.617 1.094 1.00 10.00 H new ATOM 377 N LEU A 25 -3.734 1.415 4.498 1.00 10.00 N ATOM 378 CA LEU A 25 -3.187 1.061 5.799 1.00 10.00 C ATOM 379 C LEU A 25 -3.678 2.129 6.777 1.00 10.00 C ATOM 380 O LEU A 25 -3.069 3.190 6.908 1.00 10.00 O ATOM 381 CB LEU A 25 -1.655 0.980 5.734 1.00 10.00 C ATOM 382 CG LEU A 25 -1.079 -0.394 5.353 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.601 -0.927 4.019 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.448 -0.294 5.259 1.00 10.00 C ATOM 0 H LEU A 25 -3.466 2.354 4.203 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.520 0.077 6.128 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.300 1.716 5.012 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.252 1.266 6.705 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.397 -1.087 6.132 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.152 -1.899 3.815 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.685 -1.031 4.068 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.339 -0.232 3.222 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.860 -1.266 4.989 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.719 0.439 4.499 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.852 0.017 6.222 1.00 10.00 H new ATOM 396 N HIS A 26 -4.799 1.861 7.447 1.00 10.00 N ATOM 397 CA HIS A 26 -5.435 2.776 8.391 1.00 10.00 C ATOM 398 C HIS A 26 -6.077 3.950 7.642 1.00 10.00 C ATOM 399 O HIS A 26 -5.842 5.110 7.976 1.00 10.00 O ATOM 400 CB HIS A 26 -4.460 3.236 9.499 1.00 10.00 C ATOM 401 CG HIS A 26 -3.541 2.166 10.046 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.833 1.266 11.049 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.239 1.947 9.669 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.735 0.515 11.253 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.742 0.888 10.428 1.00 10.00 N ATOM 0 H HIS A 26 -5.301 0.979 7.345 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.232 2.239 8.905 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.849 4.049 9.106 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.043 3.646 10.324 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.695 2.498 8.916 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.662 -0.280 11.981 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.810 0.478 10.369 1.00 10.00 H new ATOM 413 N TYR A 27 -6.867 3.654 6.602 1.00 10.00 N ATOM 414 CA TYR A 27 -7.619 4.604 5.772 1.00 10.00 C ATOM 415 C TYR A 27 -6.759 5.526 4.895 1.00 10.00 C ATOM 416 O TYR A 27 -7.189 5.904 3.802 1.00 10.00 O ATOM 417 CB TYR A 27 -8.655 5.386 6.586 1.00 10.00 C ATOM 418 CG TYR A 27 -9.755 4.515 7.159 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.664 3.880 6.290 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.860 4.313 8.547 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.695 3.079 6.807 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.886 3.501 9.062 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.804 2.887 8.194 1.00 10.00 C ATOM 424 OH TYR A 27 -12.797 2.107 8.705 1.00 10.00 O ATOM 0 H TYR A 27 -7.006 2.690 6.300 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.155 3.976 5.060 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.150 5.903 7.402 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.102 6.151 5.951 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.568 4.010 5.222 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.153 4.781 9.216 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.403 2.611 6.139 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.968 3.349 10.128 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.724 2.082 9.682 1.00 10.00 H new ATOM 434 N LYS A 28 -5.554 5.881 5.346 1.00 10.00 N ATOM 435 CA LYS A 28 -4.556 6.490 4.482 1.00 10.00 C ATOM 436 C LYS A 28 -4.221 5.521 3.348 1.00 10.00 C ATOM 437 O LYS A 28 -4.362 4.307 3.502 1.00 10.00 O ATOM 438 CB LYS A 28 -3.307 6.909 5.270 1.00 10.00 C ATOM 439 CG LYS A 28 -3.447 8.268 5.969 1.00 10.00 C ATOM 440 CD LYS A 28 -4.560 8.235 7.022 1.00 10.00 C ATOM 441 CE LYS A 28 -4.415 9.345 8.072 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.519 10.692 7.481 1.00 10.00 N ATOM 0 H LYS A 28 -5.250 5.754 6.311 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.963 7.406 4.052 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.087 6.147 6.017 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.455 6.945 4.591 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.502 8.536 6.442 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.664 9.040 5.230 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.526 8.333 6.527 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.554 7.266 7.521 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.185 9.224 8.834 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.452 9.244 8.574 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.885 11.356 8.193 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.579 11.006 7.165 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.166 10.665 6.667 1.00 10.00 H new ATOM 456 N VAL A 29 -3.779 6.077 2.222 1.00 10.00 N ATOM 457 CA VAL A 29 -3.441 5.353 1.004 1.00 10.00 C ATOM 458 C VAL A 29 -1.941 5.477 0.756 1.00 10.00 C ATOM 459 O VAL A 29 -1.365 6.548 0.961 1.00 10.00 O ATOM 460 CB VAL A 29 -4.260 5.890 -0.175 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.807 5.322 -1.519 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.721 5.482 -0.032 1.00 10.00 C ATOM 0 H VAL A 29 -3.642 7.084 2.132 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.688 4.297 1.113 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.120 6.971 -0.157 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.423 5.738 -2.316 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.763 5.585 -1.692 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.911 4.237 -1.509 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.291 5.870 -0.876 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.795 4.395 -0.013 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.123 5.889 0.896 1.00 10.00 H new ATOM 472 N TYR A 30 -1.333 4.361 0.348 1.00 10.00 N ATOM 473 CA TYR A 30 0.093 4.099 0.382 1.00 10.00 C ATOM 474 C TYR A 30 0.490 3.624 -1.010 1.00 10.00 C ATOM 475 O TYR A 30 -0.081 2.631 -1.450 1.00 10.00 O ATOM 476 CB TYR A 30 0.296 2.988 1.426 1.00 10.00 C ATOM 477 CG TYR A 30 0.092 3.468 2.849 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.218 3.677 3.302 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.173 3.747 3.705 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.446 4.189 4.583 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.928 4.174 5.025 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.386 4.349 5.478 1.00 10.00 C ATOM 483 OH TYR A 30 -0.652 4.536 6.801 1.00 10.00 O ATOM 0 H TYR A 30 -1.860 3.576 -0.035 1.00 10.00 H new ATOM 0 HA TYR A 30 0.695 4.969 0.645 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.398 2.173 1.220 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.303 2.583 1.326 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.054 3.442 2.660 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.187 3.634 3.351 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.447 4.462 4.882 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.757 4.367 5.690 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.504 4.109 7.027 1.00 10.00 H new ATOM 493 N ASP A 31 1.421 4.300 -1.698 1.00 10.00 N ATOM 494 CA ASP A 31 1.923 3.848 -2.998 1.00 10.00 C ATOM 495 C ASP A 31 3.220 3.108 -2.751 1.00 10.00 C ATOM 496 O ASP A 31 4.057 3.600 -1.994 1.00 10.00 O ATOM 497 CB ASP A 31 2.234 4.988 -3.970 1.00 10.00 C ATOM 498 CG ASP A 31 2.355 4.488 -5.412 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.119 3.521 -5.648 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.647 5.056 -6.273 1.00 10.00 O ATOM 0 H ASP A 31 1.843 5.169 -1.370 1.00 10.00 H new ATOM 0 HA ASP A 31 1.143 3.234 -3.449 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.448 5.741 -3.911 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.164 5.474 -3.675 1.00 10.00 H new ATOM 505 N LEU A 32 3.388 1.949 -3.377 1.00 10.00 N ATOM 506 CA LEU A 32 4.599 1.164 -3.228 1.00 10.00 C ATOM 507 C LEU A 32 5.273 0.813 -4.548 1.00 10.00 C ATOM 508 O LEU A 32 6.200 0.011 -4.536 1.00 10.00 O ATOM 509 CB LEU A 32 4.288 -0.162 -2.544 1.00 10.00 C ATOM 510 CG LEU A 32 3.568 -0.156 -1.194 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.963 -1.435 -0.453 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.774 1.024 -0.251 1.00 10.00 C ATOM 0 H LEU A 32 2.693 1.533 -3.996 1.00 10.00 H new ATOM 0 HA LEU A 32 5.270 1.793 -2.643 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.686 -0.754 -3.234 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.232 -0.691 -2.410 1.00 10.00 H new ATOM 0 HG LEU A 32 2.515 -0.076 -1.463 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.465 -1.462 0.516 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.662 -2.303 -1.040 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.043 -1.452 -0.307 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.193 0.869 0.658 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.831 1.106 0.003 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.446 1.942 -0.739 1.00 10.00 H new ATOM 524 N THR A 33 4.830 1.346 -5.681 1.00 10.00 N ATOM 525 CA THR A 33 5.240 0.860 -7.005 1.00 10.00 C ATOM 526 C THR A 33 6.765 0.708 -7.148 1.00 10.00 C ATOM 527 O THR A 33 7.235 -0.272 -7.716 1.00 10.00 O ATOM 528 CB THR A 33 4.653 1.778 -8.087 1.00 10.00 C ATOM 529 OG1 THR A 33 3.293 2.030 -7.806 1.00 10.00 O ATOM 530 CG2 THR A 33 4.736 1.138 -9.476 1.00 10.00 C ATOM 0 H THR A 33 4.176 2.128 -5.714 1.00 10.00 H new ATOM 0 HA THR A 33 4.841 -0.146 -7.131 1.00 10.00 H new ATOM 0 HB THR A 33 5.234 2.700 -8.083 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.216 2.843 -7.263 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.311 1.817 -10.215 1.00 10.00 H new ATOM 0 HG22 THR A 33 5.779 0.939 -9.723 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.177 0.202 -9.479 1.00 10.00 H new ATOM 538 N LYS A 34 7.540 1.655 -6.616 1.00 10.00 N ATOM 539 CA LYS A 34 9.002 1.586 -6.598 1.00 10.00 C ATOM 540 C LYS A 34 9.482 0.547 -5.571 1.00 10.00 C ATOM 541 O LYS A 34 10.450 -0.176 -5.792 1.00 10.00 O ATOM 542 CB LYS A 34 9.529 3.002 -6.296 1.00 10.00 C ATOM 543 CG LYS A 34 10.940 3.329 -6.813 1.00 10.00 C ATOM 544 CD LYS A 34 12.075 2.620 -6.057 1.00 10.00 C ATOM 545 CE LYS A 34 12.719 1.542 -6.936 1.00 10.00 C ATOM 546 NZ LYS A 34 13.677 0.720 -6.177 1.00 10.00 N ATOM 0 H LYS A 34 7.167 2.499 -6.182 1.00 10.00 H new ATOM 0 HA LYS A 34 9.392 1.257 -7.561 1.00 10.00 H new ATOM 0 HB2 LYS A 34 8.833 3.724 -6.722 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.518 3.148 -5.216 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.999 3.059 -7.867 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.096 4.406 -6.750 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.828 3.348 -5.755 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.685 2.168 -5.145 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.942 0.902 -7.355 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.230 2.014 -7.775 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.770 -0.212 -6.630 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.604 1.192 -6.162 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.335 0.599 -5.202 1.00 10.00 H new ATOM 560 N PHE A 35 8.796 0.470 -4.432 1.00 10.00 N ATOM 561 CA PHE A 35 9.166 -0.384 -3.316 1.00 10.00 C ATOM 562 C PHE A 35 8.958 -1.852 -3.662 1.00 10.00 C ATOM 563 O PHE A 35 9.650 -2.707 -3.123 1.00 10.00 O ATOM 564 CB PHE A 35 8.359 -0.007 -2.065 1.00 10.00 C ATOM 565 CG PHE A 35 8.887 -0.655 -0.805 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.219 -0.444 -0.400 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.065 -1.523 -0.071 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.734 -1.125 0.715 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.566 -2.166 1.068 1.00 10.00 C ATOM 570 CZ PHE A 35 9.907 -1.992 1.451 1.00 10.00 C ATOM 0 H PHE A 35 7.950 1.013 -4.260 1.00 10.00 H new ATOM 0 HA PHE A 35 10.225 -0.233 -3.107 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.372 1.076 -1.943 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.319 -0.299 -2.209 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.846 0.243 -0.948 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.046 -1.695 -0.384 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.764 -0.983 1.007 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.918 -2.799 1.656 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.300 -2.521 2.306 1.00 10.00 H new ATOM 580 N LEU A 36 8.024 -2.146 -4.569 1.00 10.00 N ATOM 581 CA LEU A 36 7.816 -3.473 -5.133 1.00 10.00 C ATOM 582 C LEU A 36 9.136 -4.199 -5.433 1.00 10.00 C ATOM 583 O LEU A 36 9.268 -5.381 -5.127 1.00 10.00 O ATOM 584 CB LEU A 36 6.977 -3.345 -6.409 1.00 10.00 C ATOM 585 CG LEU A 36 5.547 -2.833 -6.210 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.816 -2.950 -7.551 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.780 -3.573 -5.108 1.00 10.00 C ATOM 0 H LEU A 36 7.378 -1.448 -4.938 1.00 10.00 H new ATOM 0 HA LEU A 36 7.291 -4.076 -4.392 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.492 -2.674 -7.096 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.931 -4.321 -6.892 1.00 10.00 H new ATOM 0 HG LEU A 36 5.598 -1.796 -5.877 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.793 -2.592 -7.440 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.332 -2.349 -8.300 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.803 -3.993 -7.869 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.776 -3.158 -5.022 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.715 -4.632 -5.358 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.303 -3.456 -4.159 1.00 10.00 H new ATOM 599 N GLU A 37 10.117 -3.491 -6.008 1.00 10.00 N ATOM 600 CA GLU A 37 11.459 -4.017 -6.241 1.00 10.00 C ATOM 601 C GLU A 37 12.103 -4.551 -4.955 1.00 10.00 C ATOM 602 O GLU A 37 12.738 -5.602 -4.950 1.00 10.00 O ATOM 603 CB GLU A 37 12.345 -2.886 -6.772 1.00 10.00 C ATOM 604 CG GLU A 37 12.015 -2.448 -8.205 1.00 10.00 C ATOM 605 CD GLU A 37 12.904 -1.288 -8.638 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.977 -1.122 -8.014 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.466 -0.519 -9.516 1.00 10.00 O ATOM 0 H GLU A 37 9.996 -2.529 -6.325 1.00 10.00 H new ATOM 0 HA GLU A 37 11.372 -4.838 -6.953 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.251 -2.025 -6.110 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.386 -3.206 -6.733 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.149 -3.288 -8.886 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.968 -2.152 -8.267 1.00 10.00 H new ATOM 614 N GLU A 38 12.014 -3.752 -3.894 1.00 10.00 N ATOM 615 CA GLU A 38 12.799 -3.873 -2.676 1.00 10.00 C ATOM 616 C GLU A 38 12.126 -4.807 -1.668 1.00 10.00 C ATOM 617 O GLU A 38 12.809 -5.510 -0.926 1.00 10.00 O ATOM 618 CB GLU A 38 12.951 -2.470 -2.073 1.00 10.00 C ATOM 619 CG GLU A 38 13.713 -1.518 -3.007 1.00 10.00 C ATOM 620 CD GLU A 38 13.442 -0.061 -2.668 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.351 0.251 -1.462 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.316 0.715 -3.642 1.00 10.00 O ATOM 0 H GLU A 38 11.362 -2.968 -3.862 1.00 10.00 H new ATOM 0 HA GLU A 38 13.773 -4.301 -2.913 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.964 -2.058 -1.863 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.477 -2.540 -1.121 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.782 -1.716 -2.934 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.423 -1.711 -4.040 1.00 10.00 H new ATOM 629 N HIS A 39 10.793 -4.756 -1.598 1.00 10.00 N ATOM 630 CA HIS A 39 9.991 -5.388 -0.565 1.00 10.00 C ATOM 631 C HIS A 39 10.382 -6.857 -0.343 1.00 10.00 C ATOM 632 O HIS A 39 10.098 -7.681 -1.210 1.00 10.00 O ATOM 633 CB HIS A 39 8.506 -5.288 -0.942 1.00 10.00 C ATOM 634 CG HIS A 39 7.609 -5.882 0.117 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.612 -6.816 -0.069 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.644 -5.577 1.451 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.026 -7.002 1.126 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.620 -6.271 2.091 1.00 10.00 N ATOM 0 H HIS A 39 10.230 -4.255 -2.286 1.00 10.00 H new ATOM 0 HA HIS A 39 10.176 -4.862 0.372 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.241 -4.242 -1.095 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.338 -5.801 -1.889 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.366 -7.277 -0.945 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.348 -4.910 1.927 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.183 -7.656 1.293 1.00 10.00 H new ATOM 646 N PRO A 40 10.960 -7.222 0.818 1.00 10.00 N ATOM 647 CA PRO A 40 11.326 -8.598 1.136 1.00 10.00 C ATOM 648 C PRO A 40 10.190 -9.603 0.930 1.00 10.00 C ATOM 649 O PRO A 40 10.436 -10.740 0.537 1.00 10.00 O ATOM 650 CB PRO A 40 11.800 -8.573 2.591 1.00 10.00 C ATOM 651 CG PRO A 40 12.366 -7.162 2.728 1.00 10.00 C ATOM 652 CD PRO A 40 11.399 -6.335 1.884 1.00 10.00 C ATOM 0 HA PRO A 40 12.104 -8.943 0.455 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.981 -8.752 3.288 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.556 -9.334 2.785 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.384 -6.831 3.766 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.388 -7.097 2.355 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.554 -5.989 2.480 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.889 -5.449 1.481 1.00 10.00 H new ATOM 660 N GLY A 41 8.943 -9.195 1.191 1.00 10.00 N ATOM 661 CA GLY A 41 7.780 -10.030 0.937 1.00 10.00 C ATOM 662 C GLY A 41 7.651 -10.440 -0.537 1.00 10.00 C ATOM 663 O GLY A 41 7.139 -11.520 -0.811 1.00 10.00 O ATOM 0 H GLY A 41 8.720 -8.280 1.582 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.840 -10.926 1.554 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.881 -9.494 1.240 1.00 10.00 H new ATOM 667 N GLY A 42 8.069 -9.579 -1.473 1.00 10.00 N ATOM 668 CA GLY A 42 7.847 -9.732 -2.909 1.00 10.00 C ATOM 669 C GLY A 42 6.842 -8.695 -3.408 1.00 10.00 C ATOM 670 O GLY A 42 6.292 -7.930 -2.612 1.00 10.00 O ATOM 0 H GLY A 42 8.587 -8.732 -1.241 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.791 -9.619 -3.443 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.479 -10.736 -3.121 1.00 10.00 H new ATOM 674 N GLU A 43 6.600 -8.667 -4.721 1.00 10.00 N ATOM 675 CA GLU A 43 5.631 -7.776 -5.348 1.00 10.00 C ATOM 676 C GLU A 43 4.289 -8.495 -5.407 1.00 10.00 C ATOM 677 O GLU A 43 3.273 -7.939 -5.001 1.00 10.00 O ATOM 678 CB GLU A 43 6.172 -7.282 -6.703 1.00 10.00 C ATOM 679 CG GLU A 43 5.185 -6.487 -7.564 1.00 10.00 C ATOM 680 CD GLU A 43 4.390 -7.300 -8.578 1.00 10.00 C ATOM 681 OE1 GLU A 43 3.370 -7.905 -8.192 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.701 -7.184 -9.783 1.00 10.00 O ATOM 0 H GLU A 43 7.081 -9.274 -5.385 1.00 10.00 H new ATOM 0 HA GLU A 43 5.470 -6.868 -4.766 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.048 -6.660 -6.518 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.510 -8.146 -7.275 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.483 -5.978 -6.903 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.738 -5.714 -8.098 1.00 10.00 H new ATOM 689 N GLU A 44 4.304 -9.764 -5.807 1.00 10.00 N ATOM 690 CA GLU A 44 3.152 -10.644 -5.913 1.00 10.00 C ATOM 691 C GLU A 44 2.251 -10.517 -4.678 1.00 10.00 C ATOM 692 O GLU A 44 1.063 -10.202 -4.778 1.00 10.00 O ATOM 693 CB GLU A 44 3.626 -12.100 -6.109 1.00 10.00 C ATOM 694 CG GLU A 44 4.890 -12.258 -6.976 1.00 10.00 C ATOM 695 CD GLU A 44 6.179 -12.150 -6.160 1.00 10.00 C ATOM 696 OE1 GLU A 44 6.674 -11.006 -6.030 1.00 10.00 O ATOM 697 OE2 GLU A 44 6.614 -13.199 -5.644 1.00 10.00 O ATOM 0 H GLU A 44 5.170 -10.228 -6.080 1.00 10.00 H new ATOM 0 HA GLU A 44 2.561 -10.350 -6.780 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.817 -12.540 -5.130 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.817 -12.672 -6.563 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.863 -13.224 -7.479 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.891 -11.494 -7.753 1.00 10.00 H new ATOM 704 N VAL A 45 2.849 -10.732 -3.499 1.00 10.00 N ATOM 705 CA VAL A 45 2.168 -10.662 -2.207 1.00 10.00 C ATOM 706 C VAL A 45 1.481 -9.308 -2.051 1.00 10.00 C ATOM 707 O VAL A 45 0.363 -9.195 -1.553 1.00 10.00 O ATOM 708 CB VAL A 45 3.141 -10.936 -1.033 1.00 10.00 C ATOM 709 CG1 VAL A 45 4.197 -11.982 -1.393 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.912 -9.713 -0.511 1.00 10.00 C ATOM 0 H VAL A 45 3.839 -10.964 -3.419 1.00 10.00 H new ATOM 0 HA VAL A 45 1.409 -11.443 -2.179 1.00 10.00 H new ATOM 0 HB VAL A 45 2.466 -11.282 -0.250 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.857 -12.142 -0.540 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.706 -12.920 -1.653 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.782 -11.631 -2.243 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.563 -10.016 0.309 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.514 -9.292 -1.316 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.206 -8.963 -0.155 1.00 10.00 H new ATOM 720 N LEU A 46 2.188 -8.262 -2.471 1.00 10.00 N ATOM 721 CA LEU A 46 1.758 -6.894 -2.347 1.00 10.00 C ATOM 722 C LEU A 46 0.558 -6.688 -3.265 1.00 10.00 C ATOM 723 O LEU A 46 -0.476 -6.177 -2.847 1.00 10.00 O ATOM 724 CB LEU A 46 2.962 -5.996 -2.686 1.00 10.00 C ATOM 725 CG LEU A 46 3.024 -4.672 -1.924 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.893 -3.745 -2.373 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.042 -4.901 -0.405 1.00 10.00 C ATOM 0 H LEU A 46 3.100 -8.358 -2.918 1.00 10.00 H new ATOM 0 HA LEU A 46 1.432 -6.636 -1.339 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.877 -6.554 -2.488 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.945 -5.781 -3.754 1.00 10.00 H new ATOM 0 HG LEU A 46 3.962 -4.172 -2.164 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.951 -2.807 -1.821 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.989 -3.545 -3.440 1.00 10.00 H new ATOM 0 HD13 LEU A 46 0.933 -4.222 -2.178 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.086 -3.940 0.107 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.137 -5.430 -0.106 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.915 -5.496 -0.137 1.00 10.00 H new ATOM 739 N ARG A 47 0.686 -7.139 -4.511 1.00 10.00 N ATOM 740 CA ARG A 47 -0.289 -6.938 -5.561 1.00 10.00 C ATOM 741 C ARG A 47 -1.605 -7.606 -5.185 1.00 10.00 C ATOM 742 O ARG A 47 -2.666 -7.003 -5.325 1.00 10.00 O ATOM 743 CB ARG A 47 0.272 -7.479 -6.874 1.00 10.00 C ATOM 744 CG ARG A 47 -0.618 -7.047 -8.043 1.00 10.00 C ATOM 745 CD ARG A 47 -0.047 -7.590 -9.350 1.00 10.00 C ATOM 746 NE ARG A 47 1.280 -7.030 -9.644 1.00 10.00 N ATOM 747 CZ ARG A 47 1.523 -6.077 -10.553 1.00 10.00 C ATOM 748 NH1 ARG A 47 0.530 -5.289 -10.982 1.00 10.00 N ATOM 749 NH2 ARG A 47 2.751 -5.922 -11.053 1.00 10.00 N ATOM 0 H ARG A 47 1.500 -7.670 -4.819 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.491 -5.875 -5.690 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.287 -7.111 -7.024 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.330 -8.567 -6.833 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.633 -7.417 -7.896 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.678 -5.959 -8.085 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.022 -8.676 -9.292 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -0.729 -7.357 -10.168 1.00 10.00 H new ATOM 0 HE ARG A 47 2.074 -7.394 -9.117 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.414 -5.414 -10.617 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.717 -4.564 -11.674 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.508 -6.531 -10.743 1.00 10.00 H new ATOM 0 HH22 ARG A 47 2.932 -5.195 -11.745 1.00 10.00 H new ATOM 763 N GLU A 48 -1.515 -8.839 -4.682 1.00 10.00 N ATOM 764 CA GLU A 48 -2.629 -9.598 -4.133 1.00 10.00 C ATOM 765 C GLU A 48 -3.484 -8.730 -3.193 1.00 10.00 C ATOM 766 O GLU A 48 -4.705 -8.688 -3.317 1.00 10.00 O ATOM 767 CB GLU A 48 -2.024 -10.831 -3.443 1.00 10.00 C ATOM 768 CG GLU A 48 -3.016 -11.697 -2.651 1.00 10.00 C ATOM 769 CD GLU A 48 -4.072 -12.369 -3.523 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.783 -12.577 -4.722 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.140 -12.688 -2.960 1.00 10.00 O ATOM 0 H GLU A 48 -0.633 -9.349 -4.647 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.318 -9.922 -4.913 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.549 -11.454 -4.201 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.238 -10.498 -2.766 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.463 -12.464 -2.109 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.514 -11.076 -1.906 1.00 10.00 H new ATOM 778 N GLN A 49 -2.848 -8.026 -2.251 1.00 10.00 N ATOM 779 CA GLN A 49 -3.545 -7.136 -1.322 1.00 10.00 C ATOM 780 C GLN A 49 -3.901 -5.783 -1.955 1.00 10.00 C ATOM 781 O GLN A 49 -4.854 -5.128 -1.538 1.00 10.00 O ATOM 782 CB GLN A 49 -2.658 -6.896 -0.095 1.00 10.00 C ATOM 783 CG GLN A 49 -2.390 -8.146 0.750 1.00 10.00 C ATOM 784 CD GLN A 49 -3.631 -8.630 1.490 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.868 -8.240 2.629 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.432 -9.483 0.858 1.00 10.00 N ATOM 0 H GLN A 49 -1.838 -8.058 -2.113 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.479 -7.623 -1.042 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.704 -6.486 -0.427 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.128 -6.141 0.535 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.022 -8.944 0.105 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.602 -7.930 1.472 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.207 -9.788 -0.089 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.272 -9.832 1.320 1.00 10.00 H new ATOM 795 N ALA A 50 -3.071 -5.319 -2.887 1.00 10.00 N ATOM 796 CA ALA A 50 -3.068 -3.951 -3.374 1.00 10.00 C ATOM 797 C ALA A 50 -4.359 -3.582 -4.092 1.00 10.00 C ATOM 798 O ALA A 50 -5.012 -4.402 -4.739 1.00 10.00 O ATOM 799 CB ALA A 50 -1.888 -3.711 -4.307 1.00 10.00 C ATOM 0 H ALA A 50 -2.365 -5.904 -3.333 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.979 -3.314 -2.494 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.907 -2.680 -4.659 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.957 -3.895 -3.771 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.955 -4.387 -5.160 1.00 10.00 H new ATOM 805 N GLY A 51 -4.697 -2.300 -3.997 1.00 10.00 N ATOM 806 CA GLY A 51 -5.977 -1.792 -4.414 1.00 10.00 C ATOM 807 C GLY A 51 -7.045 -2.394 -3.524 1.00 10.00 C ATOM 808 O GLY A 51 -8.096 -2.841 -3.971 1.00 10.00 O ATOM 0 H GLY A 51 -4.074 -1.585 -3.622 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.994 -0.704 -4.344 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.165 -2.047 -5.457 1.00 10.00 H new ATOM 812 N GLY A 52 -6.752 -2.340 -2.226 1.00 10.00 N ATOM 813 CA GLY A 52 -7.649 -2.672 -1.163 1.00 10.00 C ATOM 814 C GLY A 52 -6.889 -2.427 0.131 1.00 10.00 C ATOM 815 O GLY A 52 -5.680 -2.163 0.142 1.00 10.00 O ATOM 0 H GLY A 52 -5.835 -2.048 -1.890 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.548 -2.058 -1.208 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.969 -3.712 -1.235 1.00 10.00 H new ATOM 819 N ASP A 53 -7.638 -2.453 1.217 1.00 10.00 N ATOM 820 CA ASP A 53 -7.131 -2.344 2.569 1.00 10.00 C ATOM 821 C ASP A 53 -6.233 -3.532 2.889 1.00 10.00 C ATOM 822 O ASP A 53 -6.662 -4.678 2.797 1.00 10.00 O ATOM 823 CB ASP A 53 -8.285 -2.244 3.575 1.00 10.00 C ATOM 824 CG ASP A 53 -9.251 -1.123 3.229 1.00 10.00 C ATOM 825 OD1 ASP A 53 -9.931 -1.286 2.191 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.268 -0.126 3.982 1.00 10.00 O ATOM 0 H ASP A 53 -8.652 -2.554 1.179 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.539 -1.432 2.647 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.824 -3.191 3.602 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -7.881 -2.078 4.574 1.00 10.00 H new ATOM 831 N ALA A 54 -4.995 -3.249 3.300 1.00 10.00 N ATOM 832 CA ALA A 54 -4.057 -4.255 3.782 1.00 10.00 C ATOM 833 C ALA A 54 -3.637 -3.922 5.217 1.00 10.00 C ATOM 834 O ALA A 54 -2.535 -4.270 5.646 1.00 10.00 O ATOM 835 CB ALA A 54 -2.865 -4.315 2.824 1.00 10.00 C ATOM 0 H ALA A 54 -4.615 -2.302 3.306 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.522 -5.241 3.805 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.155 -5.064 3.173 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.213 -4.582 1.826 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.377 -3.341 2.789 1.00 10.00 H new ATOM 841 N THR A 55 -4.516 -3.226 5.949 1.00 10.00 N ATOM 842 CA THR A 55 -4.218 -2.640 7.246 1.00 10.00 C ATOM 843 C THR A 55 -3.928 -3.725 8.287 1.00 10.00 C ATOM 844 O THR A 55 -2.824 -3.778 8.832 1.00 10.00 O ATOM 845 CB THR A 55 -5.375 -1.722 7.683 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.669 -0.733 6.711 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.998 -0.985 8.969 1.00 10.00 C ATOM 0 H THR A 55 -5.474 -3.055 5.642 1.00 10.00 H new ATOM 0 HA THR A 55 -3.316 -2.034 7.162 1.00 10.00 H new ATOM 0 HB THR A 55 -6.244 -2.364 7.824 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.248 -0.976 5.860 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.821 -0.338 9.272 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.797 -1.710 9.758 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.107 -0.382 8.795 1.00 10.00 H new ATOM 855 N GLU A 56 -4.916 -4.588 8.555 1.00 10.00 N ATOM 856 CA GLU A 56 -4.817 -5.667 9.513 1.00 10.00 C ATOM 857 C GLU A 56 -3.598 -6.489 9.133 1.00 10.00 C ATOM 858 O GLU A 56 -2.683 -6.619 9.924 1.00 10.00 O ATOM 859 CB GLU A 56 -6.106 -6.498 9.483 1.00 10.00 C ATOM 860 CG GLU A 56 -7.333 -5.646 9.837 1.00 10.00 C ATOM 861 CD GLU A 56 -8.599 -6.490 9.841 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.866 -7.100 8.783 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.269 -6.510 10.895 1.00 10.00 O ATOM 0 H GLU A 56 -5.824 -4.544 8.093 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.701 -5.299 10.532 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.237 -6.932 8.492 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.022 -7.327 10.186 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.193 -5.189 10.817 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.436 -4.833 9.118 1.00 10.00 H new ATOM 870 N ASN A 57 -3.556 -6.945 7.881 1.00 10.00 N ATOM 871 CA ASN A 57 -2.428 -7.634 7.269 1.00 10.00 C ATOM 872 C ASN A 57 -1.070 -6.989 7.606 1.00 10.00 C ATOM 873 O ASN A 57 -0.117 -7.679 7.966 1.00 10.00 O ATOM 874 CB ASN A 57 -2.700 -7.691 5.761 1.00 10.00 C ATOM 875 CG ASN A 57 -1.433 -7.875 4.949 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.065 -8.991 4.611 1.00 10.00 O ATOM 877 ND2 ASN A 57 -0.767 -6.765 4.640 1.00 10.00 N ATOM 0 H ASN A 57 -4.343 -6.838 7.241 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.345 -8.642 7.675 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.386 -8.512 5.550 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -3.197 -6.772 5.450 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.094 -6.822 4.096 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.118 -5.858 4.947 1.00 10.00 H new ATOM 884 N PHE A 58 -0.953 -5.665 7.466 1.00 10.00 N ATOM 885 CA PHE A 58 0.309 -4.981 7.711 1.00 10.00 C ATOM 886 C PHE A 58 0.733 -5.127 9.174 1.00 10.00 C ATOM 887 O PHE A 58 1.880 -5.497 9.448 1.00 10.00 O ATOM 888 CB PHE A 58 0.195 -3.509 7.300 1.00 10.00 C ATOM 889 CG PHE A 58 1.484 -2.728 7.462 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.589 -3.024 6.642 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.594 -1.732 8.451 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.791 -2.314 6.797 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.793 -1.011 8.592 1.00 10.00 C ATOM 894 CZ PHE A 58 3.893 -1.302 7.766 1.00 10.00 C ATOM 0 H PHE A 58 -1.718 -5.052 7.185 1.00 10.00 H new ATOM 0 HA PHE A 58 1.086 -5.444 7.103 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.123 -3.456 6.259 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.584 -3.034 7.896 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.513 -3.798 5.893 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.758 -1.522 9.101 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.639 -2.547 6.170 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.869 -0.232 9.336 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.814 -0.749 7.876 1.00 10.00 H new ATOM 904 N GLU A 59 -0.197 -4.831 10.092 1.00 10.00 N ATOM 905 CA GLU A 59 0.011 -4.927 11.532 1.00 10.00 C ATOM 906 C GLU A 59 0.338 -6.367 11.932 1.00 10.00 C ATOM 907 O GLU A 59 1.411 -6.639 12.461 1.00 10.00 O ATOM 908 CB GLU A 59 -1.251 -4.432 12.262 1.00 10.00 C ATOM 909 CG GLU A 59 -1.284 -2.903 12.392 1.00 10.00 C ATOM 910 CD GLU A 59 -0.215 -2.391 13.349 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.360 -3.221 14.092 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.096 -1.178 13.311 1.00 10.00 O ATOM 0 H GLU A 59 -1.133 -4.512 9.842 1.00 10.00 H new ATOM 0 HA GLU A 59 0.857 -4.301 11.817 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.136 -4.768 11.722 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.294 -4.880 13.255 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.139 -2.452 11.410 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.267 -2.590 12.744 1.00 10.00 H new ATOM 919 N ASP A 60 -0.612 -7.262 11.657 1.00 10.00 N ATOM 920 CA ASP A 60 -0.585 -8.715 11.752 1.00 10.00 C ATOM 921 C ASP A 60 0.825 -9.285 11.578 1.00 10.00 C ATOM 922 O ASP A 60 1.352 -9.940 12.475 1.00 10.00 O ATOM 923 CB ASP A 60 -1.537 -9.264 10.678 1.00 10.00 C ATOM 924 CG ASP A 60 -1.398 -10.767 10.507 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.049 -11.497 11.284 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.630 -11.150 9.595 1.00 10.00 O ATOM 0 H ASP A 60 -1.522 -6.944 11.324 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.906 -9.019 12.748 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.565 -9.024 10.948 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.334 -8.771 9.727 1.00 10.00 H new ATOM 931 N HIS A 61 1.443 -9.016 10.425 1.00 10.00 N ATOM 932 CA HIS A 61 2.758 -9.550 10.090 1.00 10.00 C ATOM 933 C HIS A 61 3.858 -9.115 11.071 1.00 10.00 C ATOM 934 O HIS A 61 4.878 -9.787 11.185 1.00 10.00 O ATOM 935 CB HIS A 61 3.124 -9.116 8.673 1.00 10.00 C ATOM 936 CG HIS A 61 2.346 -9.801 7.579 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.114 -10.416 7.666 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.780 -9.932 6.291 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.815 -10.881 6.440 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.806 -10.620 5.567 1.00 10.00 N ATOM 0 H HIS A 61 1.042 -8.421 9.700 1.00 10.00 H new ATOM 0 HA HIS A 61 2.695 -10.636 10.160 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.972 -8.040 8.588 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.186 -9.302 8.515 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.538 -10.502 8.503 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.717 -9.565 5.900 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.100 -11.396 6.189 1.00 10.00 H new ATOM 948 N GLY A 62 3.678 -7.984 11.754 1.00 10.00 N ATOM 949 CA GLY A 62 4.626 -7.461 12.725 1.00 10.00 C ATOM 950 C GLY A 62 5.722 -6.649 12.041 1.00 10.00 C ATOM 951 O GLY A 62 6.887 -6.729 12.425 1.00 10.00 O ATOM 0 H GLY A 62 2.851 -7.398 11.642 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.103 -6.835 13.448 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.073 -8.285 13.281 1.00 10.00 H new ATOM 955 N HIS A 63 5.344 -5.846 11.042 1.00 10.00 N ATOM 956 CA HIS A 63 6.280 -5.026 10.286 1.00 10.00 C ATOM 957 C HIS A 63 7.059 -4.065 11.192 1.00 10.00 C ATOM 958 O HIS A 63 6.502 -3.495 12.136 1.00 10.00 O ATOM 959 CB HIS A 63 5.528 -4.268 9.191 1.00 10.00 C ATOM 960 CG HIS A 63 5.284 -5.112 7.968 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.140 -5.811 7.667 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.124 -5.197 6.894 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.290 -6.293 6.416 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.480 -5.926 5.890 1.00 10.00 N ATOM 0 H HIS A 63 4.375 -5.750 10.738 1.00 10.00 H new ATOM 0 HA HIS A 63 7.016 -5.683 9.823 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.573 -3.920 9.585 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.098 -3.383 8.910 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.331 -5.941 8.274 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.116 -4.774 6.831 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.555 -6.894 5.902 1.00 10.00 H new ATOM 972 N SER A 64 8.350 -3.887 10.897 1.00 10.00 N ATOM 973 CA SER A 64 9.274 -3.109 11.707 1.00 10.00 C ATOM 974 C SER A 64 8.835 -1.651 11.842 1.00 10.00 C ATOM 975 O SER A 64 8.062 -1.140 11.033 1.00 10.00 O ATOM 976 CB SER A 64 10.670 -3.175 11.078 1.00 10.00 C ATOM 977 OG SER A 64 10.616 -2.680 9.753 1.00 10.00 O ATOM 0 H SER A 64 8.785 -4.292 10.068 1.00 10.00 H new ATOM 0 HA SER A 64 9.287 -3.537 12.709 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.374 -2.588 11.668 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.032 -4.203 11.079 1.00 10.00 H new ATOM 0 HG SER A 64 11.051 -3.316 9.148 1.00 10.00 H new ATOM 983 N THR A 65 9.393 -0.967 12.841 1.00 10.00 N ATOM 984 CA THR A 65 9.437 0.483 12.955 1.00 10.00 C ATOM 985 C THR A 65 9.884 1.122 11.645 1.00 10.00 C ATOM 986 O THR A 65 9.366 2.154 11.240 1.00 10.00 O ATOM 987 CB THR A 65 10.460 0.798 14.060 1.00 10.00 C ATOM 988 OG1 THR A 65 11.464 -0.214 14.096 1.00 10.00 O ATOM 989 CG2 THR A 65 9.764 0.797 15.422 1.00 10.00 C ATOM 0 H THR A 65 9.846 -1.434 13.626 1.00 10.00 H new ATOM 0 HA THR A 65 8.449 0.880 13.189 1.00 10.00 H new ATOM 0 HB THR A 65 10.903 1.772 13.850 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.041 -0.131 13.308 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.491 1.020 16.202 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.979 1.553 15.430 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.325 -0.184 15.605 1.00 10.00 H new ATOM 997 N ASP A 66 10.861 0.505 11.002 1.00 10.00 N ATOM 998 CA ASP A 66 11.544 0.986 9.825 1.00 10.00 C ATOM 999 C ASP A 66 10.582 0.911 8.637 1.00 10.00 C ATOM 1000 O ASP A 66 10.387 1.888 7.916 1.00 10.00 O ATOM 1001 CB ASP A 66 12.810 0.129 9.649 1.00 10.00 C ATOM 1002 CG ASP A 66 13.630 0.019 10.939 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.050 -0.462 11.947 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.806 0.434 10.905 1.00 10.00 O ATOM 0 H ASP A 66 11.216 -0.400 11.311 1.00 10.00 H new ATOM 0 HA ASP A 66 11.854 2.028 9.908 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.525 -0.870 9.317 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.431 0.561 8.864 1.00 10.00 H new ATOM 1009 N ALA A 67 9.920 -0.238 8.478 1.00 10.00 N ATOM 1010 CA ALA A 67 8.879 -0.462 7.492 1.00 10.00 C ATOM 1011 C ALA A 67 7.733 0.518 7.730 1.00 10.00 C ATOM 1012 O ALA A 67 7.223 1.141 6.805 1.00 10.00 O ATOM 1013 CB ALA A 67 8.383 -1.907 7.589 1.00 10.00 C ATOM 0 H ALA A 67 10.105 -1.059 9.054 1.00 10.00 H new ATOM 0 HA ALA A 67 9.277 -0.298 6.491 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.601 -2.074 6.848 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.212 -2.590 7.402 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.982 -2.088 8.586 1.00 10.00 H new ATOM 1019 N ARG A 68 7.330 0.656 8.989 1.00 10.00 N ATOM 1020 CA ARG A 68 6.385 1.654 9.463 1.00 10.00 C ATOM 1021 C ARG A 68 6.783 3.064 8.995 1.00 10.00 C ATOM 1022 O ARG A 68 5.986 3.746 8.352 1.00 10.00 O ATOM 1023 CB ARG A 68 6.291 1.496 10.989 1.00 10.00 C ATOM 1024 CG ARG A 68 5.164 0.521 11.347 1.00 10.00 C ATOM 1025 CD ARG A 68 5.298 0.036 12.794 1.00 10.00 C ATOM 1026 NE ARG A 68 3.995 -0.401 13.317 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.616 -1.630 13.701 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.386 -2.711 13.537 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.421 -1.757 14.264 1.00 10.00 N ATOM 0 H ARG A 68 7.669 0.049 9.736 1.00 10.00 H new ATOM 0 HA ARG A 68 5.392 1.505 9.038 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.239 1.130 11.384 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.106 2.465 11.452 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.199 1.009 11.211 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.188 -0.333 10.670 1.00 10.00 H new ATOM 0 HD2 ARG A 68 6.010 -0.788 12.842 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.695 0.838 13.416 1.00 10.00 H new ATOM 0 HE ARG A 68 3.285 0.327 13.399 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.305 -2.622 13.104 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.054 -3.625 13.845 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.827 -0.937 14.391 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.096 -2.674 14.570 1.00 10.00 H new ATOM 1043 N GLU A 69 8.014 3.497 9.271 1.00 10.00 N ATOM 1044 CA GLU A 69 8.549 4.788 8.852 1.00 10.00 C ATOM 1045 C GLU A 69 8.410 4.930 7.332 1.00 10.00 C ATOM 1046 O GLU A 69 7.846 5.902 6.823 1.00 10.00 O ATOM 1047 CB GLU A 69 10.008 4.920 9.331 1.00 10.00 C ATOM 1048 CG GLU A 69 10.421 6.377 9.596 1.00 10.00 C ATOM 1049 CD GLU A 69 9.644 7.000 10.749 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.304 6.282 11.717 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.260 8.185 10.642 1.00 10.00 O ATOM 0 H GLU A 69 8.682 2.943 9.807 1.00 10.00 H new ATOM 0 HA GLU A 69 7.985 5.603 9.306 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.140 4.339 10.244 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.672 4.490 8.581 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.488 6.415 9.818 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.262 6.967 8.693 1.00 10.00 H new ATOM 1058 N LEU A 70 8.861 3.903 6.611 1.00 10.00 N ATOM 1059 CA LEU A 70 8.698 3.815 5.170 1.00 10.00 C ATOM 1060 C LEU A 70 7.238 4.053 4.764 1.00 10.00 C ATOM 1061 O LEU A 70 6.943 4.840 3.869 1.00 10.00 O ATOM 1062 CB LEU A 70 9.213 2.453 4.659 1.00 10.00 C ATOM 1063 CG LEU A 70 10.535 2.497 3.879 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.652 3.719 2.960 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.721 2.434 4.843 1.00 10.00 C ATOM 0 H LEU A 70 9.352 3.107 7.018 1.00 10.00 H new ATOM 0 HA LEU A 70 9.293 4.600 4.704 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.337 1.787 5.513 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.448 2.012 4.020 1.00 10.00 H new ATOM 0 HG LEU A 70 10.546 1.621 3.230 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.608 3.691 2.438 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.840 3.706 2.232 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.591 4.630 3.556 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.652 2.466 4.277 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.681 3.284 5.525 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.676 1.507 5.415 1.00 10.00 H new ATOM 1077 N SER A 71 6.311 3.413 5.474 1.00 10.00 N ATOM 1078 CA SER A 71 4.880 3.539 5.254 1.00 10.00 C ATOM 1079 C SER A 71 4.481 5.010 5.311 1.00 10.00 C ATOM 1080 O SER A 71 3.728 5.476 4.458 1.00 10.00 O ATOM 1081 CB SER A 71 4.131 2.672 6.283 1.00 10.00 C ATOM 1082 OG SER A 71 2.956 2.114 5.737 1.00 10.00 O ATOM 0 H SER A 71 6.545 2.777 6.237 1.00 10.00 H new ATOM 0 HA SER A 71 4.606 3.175 4.264 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.786 1.873 6.631 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.876 3.278 7.153 1.00 10.00 H new ATOM 0 HG SER A 71 2.537 2.761 5.133 1.00 10.00 H new ATOM 1088 N LYS A 72 5.030 5.762 6.269 1.00 10.00 N ATOM 1089 CA LYS A 72 4.727 7.184 6.367 1.00 10.00 C ATOM 1090 C LYS A 72 5.083 7.866 5.055 1.00 10.00 C ATOM 1091 O LYS A 72 4.243 8.506 4.431 1.00 10.00 O ATOM 1092 CB LYS A 72 5.476 7.866 7.516 1.00 10.00 C ATOM 1093 CG LYS A 72 5.332 7.104 8.829 1.00 10.00 C ATOM 1094 CD LYS A 72 6.028 7.903 9.936 1.00 10.00 C ATOM 1095 CE LYS A 72 6.150 7.102 11.242 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.196 7.665 12.118 1.00 10.00 N ATOM 0 H LYS A 72 5.677 5.412 6.976 1.00 10.00 H new ATOM 0 HA LYS A 72 3.661 7.278 6.573 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.532 7.950 7.260 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.098 8.880 7.643 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.279 6.962 9.070 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.776 6.112 8.742 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.022 8.198 9.599 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.470 8.820 10.125 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.193 7.106 11.765 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.384 6.062 11.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.792 6.896 12.486 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.784 8.329 11.574 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.750 8.167 12.912 1.00 10.00 H new ATOM 1110 N THR A 73 6.335 7.704 4.626 1.00 10.00 N ATOM 1111 CA THR A 73 6.780 8.362 3.400 1.00 10.00 C ATOM 1112 C THR A 73 6.069 7.818 2.155 1.00 10.00 C ATOM 1113 O THR A 73 6.069 8.493 1.129 1.00 10.00 O ATOM 1114 CB THR A 73 8.310 8.411 3.249 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.639 9.394 2.290 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.954 7.096 2.816 1.00 10.00 C ATOM 0 H THR A 73 7.042 7.138 5.096 1.00 10.00 H new ATOM 0 HA THR A 73 6.475 9.404 3.495 1.00 10.00 H new ATOM 0 HB THR A 73 8.700 8.637 4.241 1.00 10.00 H new ATOM 0 HG1 THR A 73 7.945 9.421 1.598 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.033 7.228 2.736 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.736 6.324 3.554 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.553 6.796 1.848 1.00 10.00 H new ATOM 1124 N PHE A 74 5.485 6.617 2.228 1.00 10.00 N ATOM 1125 CA PHE A 74 4.677 6.062 1.149 1.00 10.00 C ATOM 1126 C PHE A 74 3.255 6.621 1.131 1.00 10.00 C ATOM 1127 O PHE A 74 2.554 6.407 0.140 1.00 10.00 O ATOM 1128 CB PHE A 74 4.616 4.535 1.253 1.00 10.00 C ATOM 1129 CG PHE A 74 5.927 3.775 1.200 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.058 4.287 0.532 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.954 2.461 1.696 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.222 3.508 0.420 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.072 1.646 1.470 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.239 2.200 0.933 1.00 10.00 C ATOM 0 H PHE A 74 5.563 6.005 3.041 1.00 10.00 H new ATOM 0 HA PHE A 74 5.163 6.355 0.218 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.118 4.282 2.189 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.982 4.168 0.446 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.030 5.279 0.106 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.112 2.078 2.253 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.101 3.913 -0.059 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.033 0.594 1.710 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.152 1.623 0.913 1.00 10.00 H new ATOM 1144 N ILE A 75 2.798 7.285 2.203 1.00 10.00 N ATOM 1145 CA ILE A 75 1.478 7.923 2.179 1.00 10.00 C ATOM 1146 C ILE A 75 1.375 8.907 1.014 1.00 10.00 C ATOM 1147 O ILE A 75 2.227 9.777 0.845 1.00 10.00 O ATOM 1148 CB ILE A 75 1.105 8.607 3.511 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.780 7.506 4.522 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.124 9.523 3.377 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.800 7.988 5.975 1.00 10.00 C ATOM 0 H ILE A 75 3.311 7.392 3.078 1.00 10.00 H new ATOM 0 HA ILE A 75 0.752 7.123 2.035 1.00 10.00 H new ATOM 0 HB ILE A 75 1.945 9.226 3.827 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.204 7.096 4.297 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.498 6.694 4.407 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.344 9.980 4.342 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.082 10.304 2.645 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.982 8.935 3.049 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.561 7.156 6.638 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.791 8.372 6.217 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.062 8.780 6.106 1.00 10.00 H new ATOM 1163 N ILE A 76 0.294 8.782 0.245 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.015 9.623 -0.906 1.00 10.00 C ATOM 1165 C ILE A 76 -1.430 10.214 -0.823 1.00 10.00 C ATOM 1166 O ILE A 76 -1.771 11.095 -1.609 1.00 10.00 O ATOM 1167 CB ILE A 76 0.141 8.790 -2.192 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.566 7.429 -2.026 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.623 8.600 -2.540 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.010 6.786 -3.337 1.00 10.00 C ATOM 0 H ILE A 76 -0.414 8.067 0.414 1.00 10.00 H new ATOM 0 HA ILE A 76 0.681 10.462 -0.915 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.328 9.326 -3.017 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.106 6.744 -1.509 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.439 7.562 -1.387 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.710 8.009 -3.452 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.089 9.574 -2.693 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.125 8.082 -1.723 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.497 5.834 -3.128 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.710 7.447 -3.848 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.140 6.617 -3.972 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.287 9.710 0.070 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.729 9.875 -0.101 1.00 10.00 C ATOM 1184 C GLY A 77 -4.476 9.404 1.128 1.00 10.00 C ATOM 1185 O GLY A 77 -3.868 8.973 2.109 1.00 10.00 O ATOM 0 H GLY A 77 -2.011 9.193 0.905 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.959 10.923 -0.292 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.063 9.312 -0.972 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.803 9.413 1.015 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.668 8.557 1.789 1.00 10.00 C ATOM 1191 C GLU A 78 -7.704 7.995 0.846 1.00 10.00 C ATOM 1192 O GLU A 78 -7.966 8.592 -0.201 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.435 9.340 2.859 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.521 10.018 3.892 1.00 10.00 C ATOM 1195 CD GLU A 78 -7.293 10.619 5.055 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -8.543 10.574 5.024 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -6.612 11.108 5.979 1.00 10.00 O ATOM 0 H GLU A 78 -6.303 10.027 0.372 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.056 7.794 2.271 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.048 10.099 2.373 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -8.116 8.663 3.376 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.807 9.288 4.274 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.944 10.802 3.401 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.334 6.913 1.297 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.644 6.535 0.818 1.00 10.00 C ATOM 1206 C LEU A 79 -10.553 7.747 0.949 1.00 10.00 C ATOM 1207 O LEU A 79 -10.520 8.441 1.964 1.00 10.00 O ATOM 1208 CB LEU A 79 -10.155 5.363 1.658 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.542 4.902 1.201 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.540 4.377 -0.239 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -12.081 3.800 2.108 1.00 10.00 C ATOM 0 H LEU A 79 -7.947 6.283 2.000 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.617 6.219 -0.225 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.454 4.532 1.588 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -10.196 5.657 2.707 1.00 10.00 H new ATOM 0 HG LEU A 79 -12.181 5.783 1.255 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.547 4.063 -0.513 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.210 5.167 -0.914 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.862 3.527 -0.315 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -13.067 3.492 1.760 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.405 2.946 2.084 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -12.157 4.174 3.129 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.332 8.028 -0.089 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.233 9.155 -0.111 1.00 10.00 C ATOM 1225 C HIS A 80 -13.223 9.160 1.067 1.00 10.00 C ATOM 1226 O HIS A 80 -13.372 8.155 1.761 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.897 9.174 -1.487 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.446 10.504 -1.882 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.738 10.804 -2.240 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -12.710 11.651 -1.911 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -14.782 12.130 -2.461 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -13.574 12.693 -2.261 1.00 10.00 N ATOM 0 H HIS A 80 -11.350 7.470 -0.943 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.682 10.084 0.034 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.169 8.857 -2.234 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.705 8.442 -1.499 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -11.654 11.739 -1.702 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -15.668 12.672 -2.759 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.337 13.681 -2.348 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.874 10.288 1.400 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.871 10.282 2.454 1.00 10.00 C ATOM 1242 C PRO A 81 -16.171 9.629 2.060 1.00 10.00 C ATOM 1243 O PRO A 81 -16.741 8.885 2.848 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.133 11.745 2.811 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.848 12.446 2.375 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.495 11.661 1.113 1.00 10.00 C ATOM 0 HA PRO A 81 -14.487 9.697 3.290 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.004 12.138 2.286 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.319 11.872 3.877 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.006 13.505 2.170 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.067 12.381 3.132 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.033 12.045 0.247 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.431 11.737 0.887 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.615 9.875 0.829 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.857 9.309 0.322 1.00 10.00 C ATOM 1256 C ASP A 82 -17.823 7.762 0.311 1.00 10.00 C ATOM 1257 O ASP A 82 -18.825 7.097 0.068 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.082 9.881 -1.083 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.506 9.671 -1.579 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.428 10.079 -0.840 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.639 9.182 -2.721 1.00 10.00 O ATOM 0 H ASP A 82 -16.125 10.469 0.160 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.686 9.580 0.976 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.857 10.947 -1.078 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.386 9.412 -1.778 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.631 7.213 0.563 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.184 5.846 0.513 1.00 10.00 C ATOM 1268 C ASP A 83 -16.078 5.253 1.929 1.00 10.00 C ATOM 1269 O ASP A 83 -15.726 4.082 2.066 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.779 5.953 -0.117 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.707 5.612 -1.604 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -15.600 4.897 -2.103 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.716 6.040 -2.235 1.00 10.00 O ATOM 0 H ASP A 83 -15.860 7.818 0.846 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.864 5.201 -0.043 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.411 6.969 0.025 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.104 5.291 0.425 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.309 6.050 2.983 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.127 5.662 4.379 1.00 10.00 C ATOM 1280 C ARG A 84 -17.397 5.957 5.180 1.00 10.00 C ATOM 1281 O ARG A 84 -17.457 5.474 6.332 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.939 6.432 4.976 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.604 5.889 4.451 1.00 10.00 C ATOM 1284 CD ARG A 84 -12.408 6.706 4.958 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.361 8.021 4.305 1.00 10.00 N ATOM 1286 CZ ARG A 84 -11.479 9.002 4.566 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -10.475 8.801 5.421 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -11.603 10.187 3.963 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.272 6.671 4.644 1.00 10.00 O ATOM 0 H ARG A 84 -16.637 7.010 2.878 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.925 4.592 4.428 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.027 7.490 4.728 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.963 6.356 6.063 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.489 4.850 4.760 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.613 5.899 3.361 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.480 6.834 6.038 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -11.483 6.164 4.762 1.00 10.00 H new ATOM 0 HE ARG A 84 -13.062 8.207 3.588 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -10.372 7.897 5.883 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -9.811 9.551 5.613 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -12.366 10.347 3.305 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.935 10.932 4.160 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.139 -6.085 4.013 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.668 -8.282 5.007 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.342 -3.417 4.465 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.609 -3.893 3.224 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.067 -8.799 3.394 1.00 10.00 C HETATM 1309 NA HEM A 201 8.144 -5.887 4.597 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.952 -6.917 4.987 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.181 -6.336 5.475 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.144 -4.993 5.184 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.812 -4.700 4.719 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.262 -3.998 5.393 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.152 -7.007 6.423 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.610 -7.008 7.859 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.432 -5.588 8.389 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.463 -4.895 8.523 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.276 -5.192 8.656 1.00 10.00 O HETATM 1320 NB HEM A 201 6.009 -4.044 3.849 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.033 -3.155 4.073 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.526 -1.825 3.836 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.202 -1.974 3.503 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.868 -3.374 3.515 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.309 -0.550 4.017 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.290 -0.905 2.942 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.862 0.115 3.706 1.00 10.00 C HETATM 1328 NC HEM A 201 4.192 -6.301 3.438 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.338 -5.258 3.191 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.047 -5.815 2.871 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.213 -7.180 2.880 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.560 -7.501 3.261 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.803 -5.021 2.558 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.157 -8.220 2.603 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.890 -8.543 1.324 1.00 10.00 C HETATM 1336 ND HEM A 201 6.335 -8.178 4.173 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.363 -9.070 3.832 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.899 -10.395 4.038 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.203 -10.252 4.456 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.460 -8.834 4.580 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.162 -11.700 3.853 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.204 -11.378 4.613 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.368 -11.881 6.054 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.318 -10.997 6.851 1.00 10.00 C HETATM 1345 O1D HEM A 201 8.844 -10.373 7.823 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.500 -10.935 6.448 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.149 -3.171 4.692 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.221 -4.488 5.224 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.224 -3.617 6.413 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.051 -0.687 4.804 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.631 0.257 4.295 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.812 -0.296 3.084 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.172 -5.588 1.873 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.082 -4.075 2.095 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.254 -4.826 3.479 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.102 -11.552 4.061 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.565 -12.446 4.538 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.286 -12.045 2.827 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.205 0.875 3.283 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.172 0.182 4.749 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.131 -9.292 1.098 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.433 -8.056 0.514 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.294 -7.557 8.507 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.654 -7.531 7.888 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.111 -6.489 6.393 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.333 -8.032 6.098 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 8.745 -12.904 6.042 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.395 -11.905 6.545 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.173 -11.041 4.246 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.897 -12.212 3.982 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.430 -8.953 5.376 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.023 -2.586 4.577 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.805 -3.204 3.014 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.424 -9.630 3.146 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.975 -0.963 1.900 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.621 -8.700 3.422 1.00 10.00 H new