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 30 TYR OH : rot -135:sc= 1.18 USER MOD Set 1.2: A 71 SER OG : rot -67:sc= 2.11 USER MOD Set 2.1: A 49 GLN : amide:sc= 2.01 K(o=2.6,f=-3.1) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.347 K(o=2.6,f=-1.9!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 1.11 K(o=2.6,f=-2.8!) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -0.165 (180deg=-0.601) USER MOD Set 3.1: A 20 SER OG : rot -107:sc= 1.22 USER MOD Set 3.2: A 33 THR OG1 : rot 120:sc= 1.75 USER MOD Set 4.1: A 6 TYR OH : rot -164:sc= 0.0154 USER MOD Set 4.2: A 28 LYS NZ :NH3+ -157:sc= 2.35 (180deg=2) USER MOD Set 5.1: A 13 GLN : amide:sc= 0.351 K(o=3.5,f=-12!) USER MOD Set 5.2: A 14 LYS NZ :NH3+ -170:sc= 3.16 (180deg=1.73) USER MOD Set 6.1: A 5 LYS NZ :NH3+ -175:sc= 1.28 (180deg=0) USER MOD Set 6.2: A 7 TYR OH : rot 121:sc= 2.36 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 15 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-4.3!) USER MOD Single : A 16 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.8!) USER MOD Single : A 17 ASN : amide:sc= -0.052 K(o=-0.052,f=-4.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.03) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0136 USER MOD Single : A 26 HIS : no HE2:sc= 0.646 K(o=0.65,f=-5!) USER MOD Single : A 27 TYR OH : rot 142:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 94:sc= 1.58 USER MOD Single : A 64 SER OG : rot 37:sc= 0.603 USER MOD Single : A 65 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 1.12 (180deg=-0.717!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 80 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.16) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.187 (180deg=-0.187) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.653 (180deg=-4.31!) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -1.35 (180deg=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -5.748 21.824 2.462 1.00 10.00 N ATOM 2 CA ALA A 3 -6.738 20.757 2.687 1.00 10.00 C ATOM 3 C ALA A 3 -6.108 19.457 2.198 1.00 10.00 C ATOM 4 O ALA A 3 -5.074 19.542 1.538 1.00 10.00 O ATOM 5 CB ALA A 3 -7.183 20.701 4.153 1.00 10.00 C ATOM 0 HA ALA A 3 -7.655 20.947 2.130 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.913 19.902 4.281 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -6.319 20.508 4.788 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.634 21.653 4.433 1.00 10.00 H new ATOM 13 N VAL A 4 -6.710 18.303 2.492 1.00 10.00 N ATOM 14 CA VAL A 4 -6.322 17.044 1.868 1.00 10.00 C ATOM 15 C VAL A 4 -6.791 17.028 0.407 1.00 10.00 C ATOM 16 O VAL A 4 -7.316 18.022 -0.094 1.00 10.00 O ATOM 17 CB VAL A 4 -6.905 15.857 2.659 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.404 15.817 4.102 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.442 15.817 2.641 1.00 10.00 C ATOM 0 H VAL A 4 -7.473 18.218 3.164 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.236 16.949 1.880 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.542 14.969 2.141 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.844 14.963 4.616 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.318 15.724 4.108 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.692 16.736 4.613 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.790 14.959 3.215 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.835 16.733 3.083 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.792 15.731 1.612 1.00 10.00 H new ATOM 29 N LYS A 5 -6.646 15.879 -0.257 1.00 10.00 N ATOM 30 CA LYS A 5 -7.368 15.563 -1.478 1.00 10.00 C ATOM 31 C LYS A 5 -8.353 14.460 -1.111 1.00 10.00 C ATOM 32 O LYS A 5 -9.550 14.569 -1.361 1.00 10.00 O ATOM 33 CB LYS A 5 -6.396 15.081 -2.563 1.00 10.00 C ATOM 34 CG LYS A 5 -5.407 16.181 -2.977 1.00 10.00 C ATOM 35 CD LYS A 5 -4.680 15.835 -4.287 1.00 10.00 C ATOM 36 CE LYS A 5 -3.850 14.547 -4.172 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.205 14.174 -5.448 1.00 10.00 N ATOM 0 H LYS A 5 -6.015 15.137 0.047 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.883 16.437 -1.876 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.844 14.216 -2.197 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.960 14.753 -3.436 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.941 17.123 -3.096 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.675 16.328 -2.183 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -5.412 15.723 -5.087 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.027 16.662 -4.566 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.085 14.679 -3.407 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.494 13.732 -3.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.728 13.256 -5.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.926 14.104 -6.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.506 14.899 -5.709 1.00 10.00 H new ATOM 51 N TYR A 6 -7.803 13.406 -0.500 1.00 10.00 N ATOM 52 CA TYR A 6 -8.413 12.100 -0.405 1.00 10.00 C ATOM 53 C TYR A 6 -8.611 11.500 -1.797 1.00 10.00 C ATOM 54 O TYR A 6 -8.620 12.172 -2.825 1.00 10.00 O ATOM 55 CB TYR A 6 -9.700 12.065 0.434 1.00 10.00 C ATOM 56 CG TYR A 6 -9.623 12.043 1.947 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.590 12.619 2.702 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.541 11.217 2.594 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.448 12.260 4.060 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.205 10.623 3.812 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.174 11.175 4.580 1.00 10.00 C ATOM 62 OH TYR A 6 -8.836 10.597 5.772 1.00 10.00 O ATOM 0 H TYR A 6 -6.890 13.453 -0.047 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.714 11.472 0.148 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.293 12.936 0.153 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.263 11.184 0.126 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.912 13.328 2.250 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.511 11.037 2.154 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.781 12.819 4.699 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.735 9.748 4.157 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.273 9.723 5.848 1.00 10.00 H new ATOM 72 N TYR A 7 -8.648 10.177 -1.781 1.00 10.00 N ATOM 73 CA TYR A 7 -8.482 9.287 -2.895 1.00 10.00 C ATOM 74 C TYR A 7 -9.506 8.165 -2.773 1.00 10.00 C ATOM 75 O TYR A 7 -9.681 7.549 -1.724 1.00 10.00 O ATOM 76 CB TYR A 7 -7.051 8.763 -2.796 1.00 10.00 C ATOM 77 CG TYR A 7 -6.024 9.271 -3.800 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.220 10.479 -4.508 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.723 8.742 -3.725 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.129 11.194 -5.025 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.630 9.469 -4.223 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.826 10.721 -4.819 1.00 10.00 C ATOM 83 OH TYR A 7 -2.770 11.575 -4.952 1.00 10.00 O ATOM 0 H TYR A 7 -8.809 9.667 -0.912 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.639 9.769 -3.860 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.681 8.993 -1.797 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.088 7.677 -2.879 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.222 10.856 -4.653 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.564 7.770 -3.281 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.293 12.106 -5.580 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.633 9.061 -4.146 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.273 11.615 -4.108 1.00 10.00 H new ATOM 93 N THR A 8 -10.237 7.954 -3.853 1.00 10.00 N ATOM 94 CA THR A 8 -11.458 7.179 -3.863 1.00 10.00 C ATOM 95 C THR A 8 -11.133 5.711 -4.052 1.00 10.00 C ATOM 96 O THR A 8 -10.276 5.401 -4.869 1.00 10.00 O ATOM 97 CB THR A 8 -12.339 7.707 -4.998 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.549 7.857 -6.160 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.885 9.081 -4.615 1.00 10.00 C ATOM 0 H THR A 8 -9.989 8.328 -4.769 1.00 10.00 H new ATOM 0 HA THR A 8 -11.990 7.276 -2.917 1.00 10.00 H new ATOM 0 HB THR A 8 -13.158 7.010 -5.177 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.106 8.193 -6.893 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.513 9.461 -5.421 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.476 8.996 -3.703 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.056 9.768 -4.447 1.00 10.00 H new ATOM 107 N LEU A 9 -11.833 4.804 -3.360 1.00 10.00 N ATOM 108 CA LEU A 9 -11.824 3.385 -3.714 1.00 10.00 C ATOM 109 C LEU A 9 -11.746 3.173 -5.224 1.00 10.00 C ATOM 110 O LEU A 9 -10.864 2.449 -5.661 1.00 10.00 O ATOM 111 CB LEU A 9 -12.992 2.668 -3.038 1.00 10.00 C ATOM 112 CG LEU A 9 -13.376 1.284 -3.600 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.933 0.413 -2.467 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.448 1.359 -4.697 1.00 10.00 C ATOM 0 H LEU A 9 -12.412 5.031 -2.552 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.913 2.927 -3.328 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.753 2.551 -1.981 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.868 3.314 -3.098 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.470 0.862 -4.034 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.205 -0.566 -2.861 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.175 0.294 -1.693 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.815 0.891 -2.041 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.676 0.354 -5.052 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.352 1.814 -4.292 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.078 1.962 -5.526 1.00 10.00 H new ATOM 126 N GLU A 10 -12.585 3.873 -5.999 1.00 10.00 N ATOM 127 CA GLU A 10 -12.535 3.918 -7.460 1.00 10.00 C ATOM 128 C GLU A 10 -11.092 3.933 -7.977 1.00 10.00 C ATOM 129 O GLU A 10 -10.672 3.031 -8.700 1.00 10.00 O ATOM 130 CB GLU A 10 -13.296 5.166 -7.934 1.00 10.00 C ATOM 131 CG GLU A 10 -13.410 5.288 -9.461 1.00 10.00 C ATOM 132 CD GLU A 10 -14.167 4.125 -10.084 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.412 4.152 -10.013 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.478 3.221 -10.610 1.00 10.00 O ATOM 0 H GLU A 10 -13.339 4.440 -5.611 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.003 3.019 -7.861 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.298 5.152 -7.505 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.796 6.053 -7.546 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.915 6.221 -9.711 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.411 5.340 -9.894 1.00 10.00 H new ATOM 141 N GLU A 11 -10.329 4.954 -7.590 1.00 10.00 N ATOM 142 CA GLU A 11 -8.920 5.063 -7.931 1.00 10.00 C ATOM 143 C GLU A 11 -8.146 3.910 -7.310 1.00 10.00 C ATOM 144 O GLU A 11 -7.334 3.253 -7.962 1.00 10.00 O ATOM 145 CB GLU A 11 -8.356 6.373 -7.352 1.00 10.00 C ATOM 146 CG GLU A 11 -8.869 7.643 -8.040 1.00 10.00 C ATOM 147 CD GLU A 11 -8.113 7.932 -9.328 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.498 7.342 -10.361 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.161 8.739 -9.249 1.00 10.00 O ATOM 0 H GLU A 11 -10.677 5.731 -7.028 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.820 5.044 -9.016 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.604 6.424 -6.292 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.269 6.349 -7.424 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.931 7.534 -8.259 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.768 8.490 -7.361 1.00 10.00 H new ATOM 156 N ILE A 12 -8.354 3.706 -6.011 1.00 10.00 N ATOM 157 CA ILE A 12 -7.476 2.869 -5.233 1.00 10.00 C ATOM 158 C ILE A 12 -7.459 1.444 -5.790 1.00 10.00 C ATOM 159 O ILE A 12 -6.374 0.877 -5.884 1.00 10.00 O ATOM 160 CB ILE A 12 -7.781 2.940 -3.720 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.737 4.367 -3.140 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.747 2.130 -2.931 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.519 4.467 -1.824 1.00 10.00 C ATOM 0 H ILE A 12 -9.127 4.114 -5.485 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.462 3.257 -5.329 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.792 2.545 -3.621 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.701 4.660 -2.971 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.152 5.068 -3.865 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.974 2.189 -1.867 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.779 1.089 -3.252 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.752 2.535 -3.113 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.465 5.488 -1.445 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.561 4.199 -1.999 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.087 3.785 -1.091 1.00 10.00 H new ATOM 175 N GLN A 13 -8.606 0.885 -6.219 1.00 10.00 N ATOM 176 CA GLN A 13 -8.603 -0.457 -6.826 1.00 10.00 C ATOM 177 C GLN A 13 -7.587 -0.491 -7.961 1.00 10.00 C ATOM 178 O GLN A 13 -6.859 -1.453 -8.192 1.00 10.00 O ATOM 179 CB GLN A 13 -9.920 -0.863 -7.533 1.00 10.00 C ATOM 180 CG GLN A 13 -11.273 -0.338 -7.058 1.00 10.00 C ATOM 181 CD GLN A 13 -12.367 -0.815 -8.006 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.231 -0.494 -9.213 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.296 -1.498 -7.530 1.00 10.00 N ATOM 0 H GLN A 13 -9.523 1.328 -6.159 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.406 -1.124 -5.986 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -9.819 -0.578 -8.580 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.974 -1.951 -7.503 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.476 -0.689 -6.046 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.259 0.751 -7.021 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.317 -1.705 -6.532 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.035 -1.849 -8.139 1.00 10.00 H new ATOM 190 N LYS A 14 -7.705 0.569 -8.748 1.00 10.00 N ATOM 191 CA LYS A 14 -7.330 0.660 -10.130 1.00 10.00 C ATOM 192 C LYS A 14 -5.804 0.696 -10.181 1.00 10.00 C ATOM 193 O LYS A 14 -5.165 0.043 -11.008 1.00 10.00 O ATOM 194 CB LYS A 14 -8.022 1.941 -10.629 1.00 10.00 C ATOM 195 CG LYS A 14 -8.468 1.972 -12.086 1.00 10.00 C ATOM 196 CD LYS A 14 -9.660 1.037 -12.391 1.00 10.00 C ATOM 197 CE LYS A 14 -11.059 1.620 -12.096 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.506 1.520 -10.689 1.00 10.00 N ATOM 0 H LYS A 14 -8.095 1.445 -8.401 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.633 -0.172 -10.766 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.898 2.117 -10.004 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.342 2.777 -10.467 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.742 2.993 -12.351 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.627 1.692 -12.720 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.618 0.756 -13.443 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.538 0.122 -11.812 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.065 2.670 -12.387 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.787 1.110 -12.727 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.511 1.780 -10.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.378 0.544 -10.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.943 2.166 -10.099 1.00 10.00 H new ATOM 212 N HIS A 15 -5.217 1.419 -9.227 1.00 10.00 N ATOM 213 CA HIS A 15 -3.792 1.386 -8.966 1.00 10.00 C ATOM 214 C HIS A 15 -3.406 0.081 -8.257 1.00 10.00 C ATOM 215 O HIS A 15 -3.040 0.064 -7.083 1.00 10.00 O ATOM 216 CB HIS A 15 -3.403 2.611 -8.146 1.00 10.00 C ATOM 217 CG HIS A 15 -3.457 3.911 -8.908 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.407 4.784 -9.065 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.538 4.454 -9.551 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.836 5.813 -9.815 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.125 5.651 -10.143 1.00 10.00 N ATOM 0 H HIS A 15 -5.731 2.049 -8.611 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.244 1.414 -9.908 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.065 2.681 -7.283 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.393 2.470 -7.762 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.532 4.033 -9.593 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.227 6.654 -10.112 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.693 6.278 -10.713 1.00 10.00 H new ATOM 229 N ASN A 16 -3.436 -1.017 -9.004 1.00 10.00 N ATOM 230 CA ASN A 16 -2.886 -2.313 -8.605 1.00 10.00 C ATOM 231 C ASN A 16 -2.147 -2.944 -9.785 1.00 10.00 C ATOM 232 O ASN A 16 -2.131 -4.168 -9.955 1.00 10.00 O ATOM 233 CB ASN A 16 -3.988 -3.221 -8.039 1.00 10.00 C ATOM 234 CG ASN A 16 -5.004 -3.706 -9.075 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.965 -3.333 -10.247 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.918 -4.573 -8.649 1.00 10.00 N ATOM 0 H ASN A 16 -3.856 -1.033 -9.933 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.162 -2.173 -7.802 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.522 -4.089 -7.572 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.518 -2.682 -7.254 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.610 -4.946 -9.299 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.927 -4.865 -7.672 1.00 10.00 H new ATOM 243 N ASN A 17 -1.556 -2.103 -10.640 1.00 10.00 N ATOM 244 CA ASN A 17 -1.164 -2.470 -11.975 1.00 10.00 C ATOM 245 C ASN A 17 0.217 -1.879 -12.241 1.00 10.00 C ATOM 246 O ASN A 17 0.779 -1.161 -11.412 1.00 10.00 O ATOM 247 CB ASN A 17 -2.258 -1.977 -12.936 1.00 10.00 C ATOM 248 CG ASN A 17 -2.206 -2.686 -14.283 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.404 -2.332 -15.141 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.030 -3.712 -14.471 1.00 10.00 N ATOM 0 H ASN A 17 -1.339 -1.134 -10.405 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.076 -3.547 -12.118 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.236 -2.136 -12.482 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.148 -0.903 -13.088 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.007 -4.230 -15.349 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -3.685 -3.981 -13.737 1.00 10.00 H new ATOM 257 N SER A 18 0.754 -2.170 -13.420 1.00 10.00 N ATOM 258 CA SER A 18 2.055 -1.739 -13.912 1.00 10.00 C ATOM 259 C SER A 18 1.897 -0.286 -14.349 1.00 10.00 C ATOM 260 O SER A 18 1.901 0.044 -15.536 1.00 10.00 O ATOM 261 CB SER A 18 2.480 -2.671 -15.051 1.00 10.00 C ATOM 262 OG SER A 18 2.396 -4.013 -14.607 1.00 10.00 O ATOM 0 H SER A 18 0.261 -2.749 -14.099 1.00 10.00 H new ATOM 0 HA SER A 18 2.840 -1.791 -13.157 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.838 -2.521 -15.919 1.00 10.00 H new ATOM 0 HB3 SER A 18 3.498 -2.442 -15.364 1.00 10.00 H new ATOM 0 HG SER A 18 2.665 -4.615 -15.332 1.00 10.00 H new ATOM 268 N LYS A 19 1.607 0.535 -13.347 1.00 10.00 N ATOM 269 CA LYS A 19 0.969 1.836 -13.391 1.00 10.00 C ATOM 270 C LYS A 19 1.278 2.478 -12.041 1.00 10.00 C ATOM 271 O LYS A 19 1.889 3.536 -11.981 1.00 10.00 O ATOM 272 CB LYS A 19 -0.561 1.669 -13.534 1.00 10.00 C ATOM 273 CG LYS A 19 -1.062 1.106 -14.867 1.00 10.00 C ATOM 274 CD LYS A 19 -0.893 2.115 -16.017 1.00 10.00 C ATOM 275 CE LYS A 19 -0.801 1.421 -17.382 1.00 10.00 C ATOM 276 NZ LYS A 19 0.566 0.929 -17.652 1.00 10.00 N ATOM 0 H LYS A 19 1.838 0.275 -12.388 1.00 10.00 H new ATOM 0 HA LYS A 19 1.324 2.433 -14.231 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.910 1.016 -12.734 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.027 2.642 -13.377 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -0.517 0.192 -15.103 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.114 0.835 -14.774 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -1.735 2.807 -16.018 1.00 10.00 H new ATOM 0 HD3 LYS A 19 0.007 2.707 -15.850 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -1.501 0.586 -17.414 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -1.099 2.118 -18.166 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 0.540 0.243 -18.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 1.177 1.729 -17.913 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 0.944 0.468 -16.800 1.00 10.00 H new ATOM 290 N SER A 20 0.866 1.775 -10.981 1.00 10.00 N ATOM 291 CA SER A 20 1.127 2.024 -9.584 1.00 10.00 C ATOM 292 C SER A 20 0.387 0.918 -8.831 1.00 10.00 C ATOM 293 O SER A 20 -0.622 0.403 -9.325 1.00 10.00 O ATOM 294 CB SER A 20 0.649 3.411 -9.135 1.00 10.00 C ATOM 295 OG SER A 20 1.719 4.329 -9.063 1.00 10.00 O ATOM 0 H SER A 20 0.289 0.943 -11.105 1.00 10.00 H new ATOM 0 HA SER A 20 2.198 2.015 -9.383 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.103 3.781 -9.832 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.169 3.333 -8.160 1.00 10.00 H new ATOM 0 HG SER A 20 1.933 4.508 -8.124 1.00 10.00 H new ATOM 301 N THR A 21 0.911 0.549 -7.666 1.00 10.00 N ATOM 302 CA THR A 21 0.326 -0.398 -6.731 1.00 10.00 C ATOM 303 C THR A 21 0.081 0.320 -5.399 1.00 10.00 C ATOM 304 O THR A 21 1.037 0.730 -4.733 1.00 10.00 O ATOM 305 CB THR A 21 1.247 -1.618 -6.619 1.00 10.00 C ATOM 306 OG1 THR A 21 1.378 -2.188 -7.907 1.00 10.00 O ATOM 307 CG2 THR A 21 0.678 -2.699 -5.703 1.00 10.00 C ATOM 0 H THR A 21 1.800 0.923 -7.335 1.00 10.00 H new ATOM 0 HA THR A 21 -0.640 -0.769 -7.073 1.00 10.00 H new ATOM 0 HB THR A 21 2.197 -1.278 -6.205 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.682 -3.116 -7.825 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.370 -3.540 -5.659 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.539 -2.291 -4.702 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.282 -3.038 -6.093 1.00 10.00 H new ATOM 315 N TRP A 22 -1.202 0.507 -5.064 1.00 10.00 N ATOM 316 CA TRP A 22 -1.730 1.304 -3.963 1.00 10.00 C ATOM 317 C TRP A 22 -2.346 0.385 -2.909 1.00 10.00 C ATOM 318 O TRP A 22 -2.835 -0.687 -3.259 1.00 10.00 O ATOM 319 CB TRP A 22 -2.824 2.236 -4.507 1.00 10.00 C ATOM 320 CG TRP A 22 -2.366 3.510 -5.145 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.119 3.771 -5.583 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.144 4.700 -5.466 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.081 5.000 -6.199 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.319 5.612 -6.187 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.460 5.112 -5.189 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.809 6.835 -6.676 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.979 6.303 -5.718 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.171 7.143 -6.501 1.00 10.00 C ATOM 0 H TRP A 22 -1.951 0.069 -5.601 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.924 1.884 -3.514 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.411 1.681 -5.239 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.495 2.489 -3.686 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.272 3.111 -5.467 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.243 5.409 -6.613 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.084 4.499 -4.556 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.150 7.528 -7.178 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.006 6.575 -5.522 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.593 8.021 -6.967 1.00 10.00 H new ATOM 339 N LEU A 23 -2.377 0.789 -1.634 1.00 10.00 N ATOM 340 CA LEU A 23 -3.136 0.061 -0.621 1.00 10.00 C ATOM 341 C LEU A 23 -3.598 0.991 0.497 1.00 10.00 C ATOM 342 O LEU A 23 -2.990 2.042 0.701 1.00 10.00 O ATOM 343 CB LEU A 23 -2.372 -1.163 -0.074 1.00 10.00 C ATOM 344 CG LEU A 23 -0.884 -1.324 -0.436 1.00 10.00 C ATOM 345 CD1 LEU A 23 -0.041 -0.438 0.471 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.445 -2.781 -0.260 1.00 10.00 C ATOM 0 H LEU A 23 -1.887 1.612 -1.284 1.00 10.00 H new ATOM 0 HA LEU A 23 -4.026 -0.332 -1.113 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.448 -1.142 1.013 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.894 -2.058 -0.413 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.745 -1.033 -1.477 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.012 -0.552 0.214 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.336 0.603 0.339 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.195 -0.730 1.510 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.609 -2.877 -0.520 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.592 -3.083 0.777 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.039 -3.421 -0.912 1.00 10.00 H new ATOM 358 N ILE A 24 -4.665 0.594 1.211 1.00 10.00 N ATOM 359 CA ILE A 24 -5.087 1.251 2.447 1.00 10.00 C ATOM 360 C ILE A 24 -4.349 0.606 3.593 1.00 10.00 C ATOM 361 O ILE A 24 -4.530 -0.584 3.848 1.00 10.00 O ATOM 362 CB ILE A 24 -6.601 1.161 2.769 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.523 1.567 1.617 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.908 1.951 4.050 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.916 0.935 1.684 1.00 10.00 C ATOM 0 H ILE A 24 -5.256 -0.193 0.942 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.863 2.309 2.309 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.820 0.105 2.928 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.627 2.652 1.613 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -7.054 1.288 0.674 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.973 1.885 4.272 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.338 1.534 4.880 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.631 2.996 3.908 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.509 1.271 0.834 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.825 -0.151 1.656 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.407 1.234 2.610 1.00 10.00 H new ATOM 377 N LEU A 25 -3.605 1.431 4.319 1.00 10.00 N ATOM 378 CA LEU A 25 -3.113 1.133 5.642 1.00 10.00 C ATOM 379 C LEU A 25 -3.675 2.226 6.541 1.00 10.00 C ATOM 380 O LEU A 25 -3.369 3.403 6.354 1.00 10.00 O ATOM 381 CB LEU A 25 -1.589 1.154 5.617 1.00 10.00 C ATOM 382 CG LEU A 25 -0.990 -0.245 5.394 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.268 -0.798 4.000 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.518 -0.260 5.619 1.00 10.00 C ATOM 0 H LEU A 25 -3.323 2.353 3.985 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.417 0.150 6.002 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.250 1.822 4.826 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.218 1.560 6.558 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.484 -0.881 6.129 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.820 -1.787 3.905 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.345 -0.871 3.846 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.839 -0.132 3.252 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.901 -1.267 5.451 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.996 0.431 4.925 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.736 0.045 6.642 1.00 10.00 H new ATOM 396 N HIS A 26 -4.532 1.848 7.489 1.00 10.00 N ATOM 397 CA HIS A 26 -5.034 2.754 8.518 1.00 10.00 C ATOM 398 C HIS A 26 -5.696 3.992 7.904 1.00 10.00 C ATOM 399 O HIS A 26 -5.454 5.119 8.336 1.00 10.00 O ATOM 400 CB HIS A 26 -3.907 3.182 9.470 1.00 10.00 C ATOM 401 CG HIS A 26 -3.001 2.079 9.963 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.288 1.182 10.966 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.702 1.863 9.575 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.186 0.439 11.170 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.180 0.825 10.361 1.00 10.00 N ATOM 0 H HIS A 26 -4.899 0.899 7.564 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.788 2.209 9.086 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.295 3.929 8.964 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.355 3.671 10.335 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.174 1.096 11.464 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.174 2.399 8.800 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.116 -0.364 11.889 1.00 10.00 H new ATOM 413 N TYR A 27 -6.527 3.789 6.879 1.00 10.00 N ATOM 414 CA TYR A 27 -7.271 4.861 6.226 1.00 10.00 C ATOM 415 C TYR A 27 -6.354 5.829 5.444 1.00 10.00 C ATOM 416 O TYR A 27 -6.824 6.856 4.941 1.00 10.00 O ATOM 417 CB TYR A 27 -8.109 5.618 7.274 1.00 10.00 C ATOM 418 CG TYR A 27 -9.549 5.942 6.953 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.854 7.177 6.351 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.577 5.178 7.537 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.163 7.679 6.395 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.893 5.664 7.544 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.188 6.910 6.966 1.00 10.00 C ATOM 424 OH TYR A 27 -13.462 7.377 6.951 1.00 10.00 O ATOM 0 H TYR A 27 -6.702 2.868 6.478 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.934 4.407 5.489 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.099 5.031 8.192 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -7.599 6.557 7.490 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.078 7.740 5.854 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.353 4.219 7.979 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.381 8.656 5.990 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.681 5.079 7.995 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.081 6.634 6.791 1.00 10.00 H new ATOM 434 N LYS A 28 -5.048 5.564 5.349 1.00 10.00 N ATOM 435 CA LYS A 28 -4.163 6.320 4.474 1.00 10.00 C ATOM 436 C LYS A 28 -3.862 5.468 3.251 1.00 10.00 C ATOM 437 O LYS A 28 -3.820 4.243 3.356 1.00 10.00 O ATOM 438 CB LYS A 28 -2.860 6.695 5.175 1.00 10.00 C ATOM 439 CG LYS A 28 -2.980 7.576 6.424 1.00 10.00 C ATOM 440 CD LYS A 28 -3.917 8.790 6.292 1.00 10.00 C ATOM 441 CE LYS A 28 -5.221 8.625 7.098 1.00 10.00 C ATOM 442 NZ LYS A 28 -6.396 9.115 6.353 1.00 10.00 N ATOM 0 H LYS A 28 -4.582 4.824 5.874 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.657 7.249 4.189 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.347 5.775 5.455 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.222 7.209 4.456 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.329 6.958 7.251 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -1.986 7.934 6.692 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.396 9.685 6.631 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.161 8.943 5.241 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.362 7.573 7.348 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.136 9.168 8.040 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -7.156 9.354 7.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.134 9.962 5.810 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.728 8.375 5.702 1.00 10.00 H new ATOM 456 N VAL A 29 -3.671 6.126 2.104 1.00 10.00 N ATOM 457 CA VAL A 29 -3.424 5.456 0.835 1.00 10.00 C ATOM 458 C VAL A 29 -1.949 5.569 0.494 1.00 10.00 C ATOM 459 O VAL A 29 -1.361 6.655 0.508 1.00 10.00 O ATOM 460 CB VAL A 29 -4.325 5.969 -0.288 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.920 5.385 -1.639 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.760 5.517 -0.048 1.00 10.00 C ATOM 0 H VAL A 29 -3.684 7.144 2.035 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.681 4.402 0.941 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.232 7.055 -0.296 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.581 5.771 -2.415 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.892 5.668 -1.864 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.997 4.298 -1.604 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.397 5.886 -0.852 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.799 4.428 -0.025 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.112 5.913 0.905 1.00 10.00 H new ATOM 472 N TYR A 30 -1.369 4.402 0.235 1.00 10.00 N ATOM 473 CA TYR A 30 0.051 4.144 0.215 1.00 10.00 C ATOM 474 C TYR A 30 0.407 3.567 -1.149 1.00 10.00 C ATOM 475 O TYR A 30 -0.085 2.487 -1.470 1.00 10.00 O ATOM 476 CB TYR A 30 0.300 3.123 1.331 1.00 10.00 C ATOM 477 CG TYR A 30 0.573 3.671 2.720 1.00 10.00 C ATOM 478 CD1 TYR A 30 0.165 4.956 3.134 1.00 10.00 C ATOM 479 CD2 TYR A 30 0.988 2.751 3.685 1.00 10.00 C ATOM 480 CE1 TYR A 30 0.214 5.311 4.492 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.962 3.090 5.048 1.00 10.00 C ATOM 482 CZ TYR A 30 0.684 4.400 5.442 1.00 10.00 C ATOM 483 OH TYR A 30 0.958 4.796 6.715 1.00 10.00 O ATOM 0 H TYR A 30 -1.916 3.568 0.022 1.00 10.00 H new ATOM 0 HA TYR A 30 0.657 5.036 0.373 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.569 2.468 1.390 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.147 2.503 1.039 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -0.187 5.670 2.404 1.00 10.00 H new ATOM 0 HD2 TYR A 30 1.331 1.773 3.382 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -0.113 6.292 4.803 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.158 2.334 5.794 1.00 10.00 H new ATOM 0 HH TYR A 30 1.814 4.413 7.000 1.00 10.00 H new ATOM 493 N ASP A 31 1.245 4.264 -1.926 1.00 10.00 N ATOM 494 CA ASP A 31 1.784 3.798 -3.201 1.00 10.00 C ATOM 495 C ASP A 31 3.158 3.230 -2.918 1.00 10.00 C ATOM 496 O ASP A 31 3.925 3.882 -2.209 1.00 10.00 O ATOM 497 CB ASP A 31 1.964 4.962 -4.180 1.00 10.00 C ATOM 498 CG ASP A 31 2.213 4.507 -5.612 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.053 3.603 -5.796 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.540 5.048 -6.521 1.00 10.00 O ATOM 0 H ASP A 31 1.574 5.196 -1.673 1.00 10.00 H new ATOM 0 HA ASP A 31 1.103 3.068 -3.638 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.074 5.591 -4.155 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.800 5.579 -3.851 1.00 10.00 H new ATOM 505 N LEU A 32 3.466 2.043 -3.439 1.00 10.00 N ATOM 506 CA LEU A 32 4.783 1.461 -3.232 1.00 10.00 C ATOM 507 C LEU A 32 5.548 1.304 -4.546 1.00 10.00 C ATOM 508 O LEU A 32 6.659 1.815 -4.661 1.00 10.00 O ATOM 509 CB LEU A 32 4.709 0.155 -2.428 1.00 10.00 C ATOM 510 CG LEU A 32 3.528 0.007 -1.462 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.728 -1.313 -0.712 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.437 1.145 -0.445 1.00 10.00 C ATOM 0 H LEU A 32 2.829 1.476 -3.999 1.00 10.00 H new ATOM 0 HA LEU A 32 5.357 2.162 -2.626 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.679 -0.677 -3.132 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.631 0.055 -1.856 1.00 10.00 H new ATOM 0 HG LEU A 32 2.603 0.030 -2.039 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.907 -1.461 -0.010 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.748 -2.137 -1.425 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.671 -1.282 -0.166 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.581 0.981 0.209 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.349 1.174 0.152 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.317 2.093 -0.969 1.00 10.00 H new ATOM 524 N THR A 33 4.975 0.581 -5.513 1.00 10.00 N ATOM 525 CA THR A 33 5.438 0.414 -6.895 1.00 10.00 C ATOM 526 C THR A 33 6.954 0.219 -7.063 1.00 10.00 C ATOM 527 O THR A 33 7.402 -0.911 -7.216 1.00 10.00 O ATOM 528 CB THR A 33 4.856 1.542 -7.750 1.00 10.00 C ATOM 529 OG1 THR A 33 3.482 1.618 -7.444 1.00 10.00 O ATOM 530 CG2 THR A 33 5.015 1.271 -9.249 1.00 10.00 C ATOM 0 H THR A 33 4.115 0.060 -5.339 1.00 10.00 H new ATOM 0 HA THR A 33 5.056 -0.541 -7.256 1.00 10.00 H new ATOM 0 HB THR A 33 5.385 2.470 -7.531 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.275 2.507 -7.088 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.587 2.098 -9.816 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.073 1.174 -9.491 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.497 0.348 -9.509 1.00 10.00 H new ATOM 538 N LYS A 34 7.776 1.272 -6.998 1.00 10.00 N ATOM 539 CA LYS A 34 9.230 1.115 -6.973 1.00 10.00 C ATOM 540 C LYS A 34 9.672 0.128 -5.881 1.00 10.00 C ATOM 541 O LYS A 34 10.698 -0.533 -5.993 1.00 10.00 O ATOM 542 CB LYS A 34 9.914 2.482 -6.783 1.00 10.00 C ATOM 543 CG LYS A 34 9.653 3.116 -5.404 1.00 10.00 C ATOM 544 CD LYS A 34 10.516 4.364 -5.197 1.00 10.00 C ATOM 545 CE LYS A 34 10.350 4.862 -3.753 1.00 10.00 C ATOM 546 NZ LYS A 34 11.237 6.003 -3.450 1.00 10.00 N ATOM 0 H LYS A 34 7.457 2.240 -6.962 1.00 10.00 H new ATOM 0 HA LYS A 34 9.538 0.701 -7.933 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.989 2.363 -6.921 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.566 3.164 -7.559 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.599 3.380 -5.316 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.866 2.389 -4.620 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.563 4.134 -5.396 1.00 10.00 H new ATOM 0 HD3 LYS A 34 10.222 5.144 -5.899 1.00 10.00 H new ATOM 0 HE2 LYS A 34 9.313 5.157 -3.589 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.562 4.046 -3.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 11.090 6.305 -2.466 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.228 5.716 -3.580 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 11.018 6.793 -4.090 1.00 10.00 H new ATOM 560 N PHE A 35 8.888 0.054 -4.804 1.00 10.00 N ATOM 561 CA PHE A 35 9.190 -0.717 -3.616 1.00 10.00 C ATOM 562 C PHE A 35 8.949 -2.195 -3.869 1.00 10.00 C ATOM 563 O PHE A 35 9.481 -3.034 -3.160 1.00 10.00 O ATOM 564 CB PHE A 35 8.254 -0.261 -2.496 1.00 10.00 C ATOM 565 CG PHE A 35 8.632 -0.761 -1.120 1.00 10.00 C ATOM 566 CD1 PHE A 35 9.876 -0.411 -0.565 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.785 -1.650 -0.434 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.317 -1.033 0.615 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.220 -2.256 0.754 1.00 10.00 C ATOM 570 CZ PHE A 35 9.513 -1.996 1.242 1.00 10.00 C ATOM 0 H PHE A 35 7.998 0.549 -4.741 1.00 10.00 H new ATOM 0 HA PHE A 35 10.235 -0.565 -3.344 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.232 0.829 -2.479 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.243 -0.597 -2.726 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.492 0.335 -1.045 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.800 -1.866 -0.822 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.275 -0.770 1.039 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.562 -2.922 1.293 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.886 -2.537 2.099 1.00 10.00 H new ATOM 580 N LEU A 36 8.117 -2.517 -4.857 1.00 10.00 N ATOM 581 CA LEU A 36 7.800 -3.885 -5.222 1.00 10.00 C ATOM 582 C LEU A 36 9.081 -4.705 -5.432 1.00 10.00 C ATOM 583 O LEU A 36 9.169 -5.843 -4.979 1.00 10.00 O ATOM 584 CB LEU A 36 6.915 -3.821 -6.469 1.00 10.00 C ATOM 585 CG LEU A 36 5.554 -3.153 -6.232 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.779 -3.197 -7.552 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.728 -3.830 -5.140 1.00 10.00 C ATOM 0 H LEU A 36 7.640 -1.821 -5.431 1.00 10.00 H new ATOM 0 HA LEU A 36 7.260 -4.398 -4.426 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.445 -3.277 -7.251 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.752 -4.833 -6.839 1.00 10.00 H new ATOM 0 HG LEU A 36 5.734 -2.133 -5.893 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.804 -2.729 -7.417 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.337 -2.660 -8.319 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.644 -4.234 -7.860 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.779 -3.307 -5.025 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.539 -4.867 -5.417 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.276 -3.800 -4.198 1.00 10.00 H new ATOM 599 N GLU A 37 10.085 -4.085 -6.059 1.00 10.00 N ATOM 600 CA GLU A 37 11.445 -4.596 -6.171 1.00 10.00 C ATOM 601 C GLU A 37 12.082 -4.821 -4.791 1.00 10.00 C ATOM 602 O GLU A 37 12.618 -5.885 -4.494 1.00 10.00 O ATOM 603 CB GLU A 37 12.268 -3.551 -6.938 1.00 10.00 C ATOM 604 CG GLU A 37 11.879 -3.453 -8.422 1.00 10.00 C ATOM 605 CD GLU A 37 12.313 -4.673 -9.225 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.476 -5.092 -9.037 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.482 -5.153 -10.025 1.00 10.00 O ATOM 0 H GLU A 37 9.964 -3.182 -6.517 1.00 10.00 H new ATOM 0 HA GLU A 37 11.426 -5.556 -6.687 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.136 -2.576 -6.468 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.326 -3.802 -6.861 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.798 -3.335 -8.503 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.330 -2.560 -8.854 1.00 10.00 H new ATOM 614 N GLU A 38 12.076 -3.764 -3.977 1.00 10.00 N ATOM 615 CA GLU A 38 12.791 -3.651 -2.712 1.00 10.00 C ATOM 616 C GLU A 38 12.264 -4.652 -1.675 1.00 10.00 C ATOM 617 O GLU A 38 13.018 -5.229 -0.894 1.00 10.00 O ATOM 618 CB GLU A 38 12.606 -2.203 -2.225 1.00 10.00 C ATOM 619 CG GLU A 38 13.658 -1.732 -1.215 1.00 10.00 C ATOM 620 CD GLU A 38 13.413 -0.286 -0.788 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.003 0.514 -1.659 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.611 -0.007 0.413 1.00 10.00 O ATOM 0 H GLU A 38 11.544 -2.922 -4.197 1.00 10.00 H new ATOM 0 HA GLU A 38 13.847 -3.885 -2.849 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.626 -1.538 -3.088 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.619 -2.109 -1.773 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.639 -2.380 -0.339 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.652 -1.820 -1.655 1.00 10.00 H new ATOM 629 N HIS A 39 10.941 -4.800 -1.639 1.00 10.00 N ATOM 630 CA HIS A 39 10.184 -5.455 -0.593 1.00 10.00 C ATOM 631 C HIS A 39 10.582 -6.928 -0.433 1.00 10.00 C ATOM 632 O HIS A 39 10.340 -7.712 -1.349 1.00 10.00 O ATOM 633 CB HIS A 39 8.699 -5.344 -0.957 1.00 10.00 C ATOM 634 CG HIS A 39 7.780 -5.913 0.089 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.668 -6.681 -0.154 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.828 -5.661 1.433 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.055 -6.872 1.025 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.720 -6.266 2.027 1.00 10.00 N ATOM 0 H HIS A 39 10.342 -4.444 -2.384 1.00 10.00 H new ATOM 0 HA HIS A 39 10.392 -4.970 0.361 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.450 -4.295 -1.116 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.525 -5.860 -1.901 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.365 -7.039 -1.060 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.591 -5.093 1.945 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.145 -7.439 1.153 1.00 10.00 H new ATOM 646 N PRO A 40 11.094 -7.357 0.735 1.00 10.00 N ATOM 647 CA PRO A 40 11.350 -8.764 1.021 1.00 10.00 C ATOM 648 C PRO A 40 10.123 -9.656 0.790 1.00 10.00 C ATOM 649 O PRO A 40 10.254 -10.774 0.302 1.00 10.00 O ATOM 650 CB PRO A 40 11.827 -8.807 2.475 1.00 10.00 C ATOM 651 CG PRO A 40 12.487 -7.440 2.638 1.00 10.00 C ATOM 652 CD PRO A 40 11.548 -6.535 1.845 1.00 10.00 C ATOM 0 HA PRO A 40 12.100 -9.166 0.339 1.00 10.00 H new ATOM 0 HB2 PRO A 40 11.000 -8.945 3.171 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.530 -9.622 2.649 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.553 -7.142 3.684 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.501 -7.426 2.238 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.711 -6.199 2.457 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.063 -5.642 1.492 1.00 10.00 H new ATOM 660 N GLY A 41 8.925 -9.161 1.121 1.00 10.00 N ATOM 661 CA GLY A 41 7.681 -9.882 0.871 1.00 10.00 C ATOM 662 C GLY A 41 7.338 -10.009 -0.619 1.00 10.00 C ATOM 663 O GLY A 41 6.425 -10.753 -0.967 1.00 10.00 O ATOM 0 H GLY A 41 8.795 -8.253 1.568 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.754 -10.879 1.305 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.865 -9.371 1.382 1.00 10.00 H new ATOM 667 N GLY A 42 8.033 -9.281 -1.502 1.00 10.00 N ATOM 668 CA GLY A 42 7.791 -9.310 -2.935 1.00 10.00 C ATOM 669 C GLY A 42 6.493 -8.601 -3.315 1.00 10.00 C ATOM 670 O GLY A 42 5.808 -8.021 -2.469 1.00 10.00 O ATOM 0 H GLY A 42 8.787 -8.650 -1.230 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.626 -8.838 -3.452 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.750 -10.345 -3.274 1.00 10.00 H new ATOM 674 N GLU A 43 6.182 -8.632 -4.614 1.00 10.00 N ATOM 675 CA GLU A 43 5.002 -8.004 -5.181 1.00 10.00 C ATOM 676 C GLU A 43 3.795 -8.923 -5.033 1.00 10.00 C ATOM 677 O GLU A 43 2.847 -8.533 -4.373 1.00 10.00 O ATOM 678 CB GLU A 43 5.289 -7.608 -6.640 1.00 10.00 C ATOM 679 CG GLU A 43 4.044 -7.140 -7.412 1.00 10.00 C ATOM 680 CD GLU A 43 4.350 -6.782 -8.862 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.489 -6.349 -9.124 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.420 -6.929 -9.687 1.00 10.00 O ATOM 0 H GLU A 43 6.760 -9.106 -5.308 1.00 10.00 H new ATOM 0 HA GLU A 43 4.758 -7.090 -4.640 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.033 -6.811 -6.651 1.00 10.00 H new ATOM 0 HB3 GLU A 43 5.728 -8.461 -7.159 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.290 -7.927 -7.388 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.616 -6.272 -6.911 1.00 10.00 H new ATOM 689 N GLU A 44 3.794 -10.110 -5.646 1.00 10.00 N ATOM 690 CA GLU A 44 2.596 -10.928 -5.844 1.00 10.00 C ATOM 691 C GLU A 44 1.618 -10.903 -4.657 1.00 10.00 C ATOM 692 O GLU A 44 0.513 -10.376 -4.777 1.00 10.00 O ATOM 693 CB GLU A 44 3.002 -12.364 -6.204 1.00 10.00 C ATOM 694 CG GLU A 44 3.879 -12.431 -7.462 1.00 10.00 C ATOM 695 CD GLU A 44 4.136 -13.877 -7.864 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.643 -14.617 -6.993 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.812 -14.215 -9.022 1.00 10.00 O ATOM 0 H GLU A 44 4.640 -10.536 -6.025 1.00 10.00 H new ATOM 0 HA GLU A 44 2.045 -10.484 -6.673 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.541 -12.806 -5.366 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.105 -12.964 -6.358 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.390 -11.902 -8.280 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.827 -11.926 -7.277 1.00 10.00 H new ATOM 704 N VAL A 45 2.034 -11.427 -3.499 1.00 10.00 N ATOM 705 CA VAL A 45 1.229 -11.446 -2.277 1.00 10.00 C ATOM 706 C VAL A 45 0.728 -10.045 -1.897 1.00 10.00 C ATOM 707 O VAL A 45 -0.406 -9.869 -1.457 1.00 10.00 O ATOM 708 CB VAL A 45 2.035 -12.109 -1.139 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.317 -11.342 -0.781 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.190 -12.287 0.129 1.00 10.00 C ATOM 0 H VAL A 45 2.953 -11.855 -3.385 1.00 10.00 H new ATOM 0 HA VAL A 45 0.334 -12.041 -2.456 1.00 10.00 H new ATOM 0 HB VAL A 45 2.322 -13.086 -1.527 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.837 -11.859 0.025 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.965 -11.288 -1.656 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.059 -10.333 -0.458 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.794 -12.757 0.906 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.846 -11.313 0.476 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.329 -12.918 -0.093 1.00 10.00 H new ATOM 720 N LEU A 46 1.579 -9.037 -2.075 1.00 10.00 N ATOM 721 CA LEU A 46 1.259 -7.650 -1.802 1.00 10.00 C ATOM 722 C LEU A 46 0.274 -7.106 -2.839 1.00 10.00 C ATOM 723 O LEU A 46 -0.582 -6.290 -2.513 1.00 10.00 O ATOM 724 CB LEU A 46 2.573 -6.856 -1.706 1.00 10.00 C ATOM 725 CG LEU A 46 2.357 -5.390 -1.318 1.00 10.00 C ATOM 726 CD1 LEU A 46 3.481 -4.923 -0.388 1.00 10.00 C ATOM 727 CD2 LEU A 46 2.308 -4.484 -2.553 1.00 10.00 C ATOM 0 H LEU A 46 2.529 -9.171 -2.421 1.00 10.00 H new ATOM 0 HA LEU A 46 0.746 -7.549 -0.846 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.224 -7.329 -0.971 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.089 -6.900 -2.665 1.00 10.00 H new ATOM 0 HG LEU A 46 1.398 -5.321 -0.804 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.319 -3.880 -0.117 1.00 10.00 H new ATOM 0 HD12 LEU A 46 3.485 -5.535 0.514 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.439 -5.021 -0.898 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.154 -3.451 -2.241 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.248 -4.561 -3.099 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.487 -4.794 -3.199 1.00 10.00 H new ATOM 739 N ARG A 47 0.376 -7.556 -4.088 1.00 10.00 N ATOM 740 CA ARG A 47 -0.399 -7.042 -5.200 1.00 10.00 C ATOM 741 C ARG A 47 -1.808 -7.615 -5.157 1.00 10.00 C ATOM 742 O ARG A 47 -2.771 -6.880 -5.345 1.00 10.00 O ATOM 743 CB ARG A 47 0.311 -7.347 -6.518 1.00 10.00 C ATOM 744 CG ARG A 47 -0.359 -6.576 -7.660 1.00 10.00 C ATOM 745 CD ARG A 47 0.579 -6.529 -8.863 1.00 10.00 C ATOM 746 NE ARG A 47 -0.115 -6.030 -10.056 1.00 10.00 N ATOM 747 CZ ARG A 47 0.309 -6.243 -11.310 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.546 -6.692 -11.543 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.524 -6.009 -12.330 1.00 10.00 N ATOM 0 H ARG A 47 1.016 -8.305 -4.354 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.484 -5.958 -5.122 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.363 -7.069 -6.448 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.277 -8.417 -6.721 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.297 -7.057 -7.936 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.603 -5.564 -7.336 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.431 -5.887 -8.639 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.974 -7.526 -9.059 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.970 -5.490 -9.923 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.177 -6.876 -10.763 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.859 -6.851 -12.501 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.470 -5.672 -12.149 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.213 -6.167 -13.289 1.00 10.00 H new ATOM 763 N GLU A 48 -1.918 -8.907 -4.841 1.00 10.00 N ATOM 764 CA GLU A 48 -3.166 -9.569 -4.481 1.00 10.00 C ATOM 765 C GLU A 48 -3.960 -8.691 -3.502 1.00 10.00 C ATOM 766 O GLU A 48 -5.163 -8.490 -3.643 1.00 10.00 O ATOM 767 CB GLU A 48 -2.793 -10.914 -3.840 1.00 10.00 C ATOM 768 CG GLU A 48 -3.995 -11.841 -3.610 1.00 10.00 C ATOM 769 CD GLU A 48 -4.549 -12.398 -4.917 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.766 -13.078 -5.615 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.739 -12.140 -5.193 1.00 10.00 O ATOM 0 H GLU A 48 -1.116 -9.537 -4.829 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.796 -9.731 -5.355 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -2.070 -11.422 -4.478 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -2.301 -10.728 -2.885 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.697 -12.666 -2.962 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.780 -11.293 -3.088 1.00 10.00 H new ATOM 778 N GLN A 49 -3.252 -8.160 -2.502 1.00 10.00 N ATOM 779 CA GLN A 49 -3.804 -7.335 -1.442 1.00 10.00 C ATOM 780 C GLN A 49 -3.993 -5.876 -1.894 1.00 10.00 C ATOM 781 O GLN A 49 -4.742 -5.126 -1.269 1.00 10.00 O ATOM 782 CB GLN A 49 -2.830 -7.439 -0.263 1.00 10.00 C ATOM 783 CG GLN A 49 -3.414 -6.979 1.070 1.00 10.00 C ATOM 784 CD GLN A 49 -4.345 -8.006 1.705 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.929 -9.118 2.014 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.599 -7.643 1.948 1.00 10.00 N ATOM 0 H GLN A 49 -2.246 -8.301 -2.411 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.798 -7.682 -1.159 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.503 -8.474 -0.166 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.944 -6.844 -0.484 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.599 -6.761 1.760 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.960 -6.048 0.918 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.921 -6.713 1.682 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.240 -8.294 2.401 1.00 10.00 H new ATOM 795 N ALA A 50 -3.282 -5.445 -2.940 1.00 10.00 N ATOM 796 CA ALA A 50 -3.289 -4.061 -3.391 1.00 10.00 C ATOM 797 C ALA A 50 -4.619 -3.693 -4.041 1.00 10.00 C ATOM 798 O ALA A 50 -5.427 -4.550 -4.390 1.00 10.00 O ATOM 799 CB ALA A 50 -2.134 -3.798 -4.349 1.00 10.00 C ATOM 0 H ALA A 50 -2.684 -6.055 -3.497 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.161 -3.428 -2.513 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.160 -2.758 -4.673 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.189 -3.998 -3.843 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.226 -4.451 -5.217 1.00 10.00 H new ATOM 805 N GLY A 51 -4.839 -2.387 -4.195 1.00 10.00 N ATOM 806 CA GLY A 51 -6.126 -1.827 -4.545 1.00 10.00 C ATOM 807 C GLY A 51 -7.234 -2.403 -3.687 1.00 10.00 C ATOM 808 O GLY A 51 -8.264 -2.876 -4.160 1.00 10.00 O ATOM 0 H GLY A 51 -4.109 -1.684 -4.076 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.097 -0.744 -4.425 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.337 -2.026 -5.596 1.00 10.00 H new ATOM 812 N GLY A 52 -7.003 -2.264 -2.386 1.00 10.00 N ATOM 813 CA GLY A 52 -7.959 -2.508 -1.346 1.00 10.00 C ATOM 814 C GLY A 52 -7.221 -2.268 -0.037 1.00 10.00 C ATOM 815 O GLY A 52 -6.200 -1.575 0.005 1.00 10.00 O ATOM 0 H GLY A 52 -6.097 -1.963 -2.026 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.816 -1.841 -1.439 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.341 -3.528 -1.398 1.00 10.00 H new ATOM 819 N ASP A 53 -7.745 -2.868 1.020 1.00 10.00 N ATOM 820 CA ASP A 53 -7.141 -2.841 2.343 1.00 10.00 C ATOM 821 C ASP A 53 -5.934 -3.760 2.412 1.00 10.00 C ATOM 822 O ASP A 53 -5.998 -4.900 1.956 1.00 10.00 O ATOM 823 CB ASP A 53 -8.129 -3.216 3.454 1.00 10.00 C ATOM 824 CG ASP A 53 -7.459 -3.039 4.814 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.768 -3.965 5.279 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.585 -1.929 5.378 1.00 10.00 O ATOM 0 H ASP A 53 -8.617 -3.396 0.982 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.827 -1.810 2.509 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.018 -2.589 3.391 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.457 -4.248 3.330 1.00 10.00 H new ATOM 831 N ALA A 54 -4.862 -3.268 3.030 1.00 10.00 N ATOM 832 CA ALA A 54 -3.772 -4.112 3.502 1.00 10.00 C ATOM 833 C ALA A 54 -3.365 -3.759 4.941 1.00 10.00 C ATOM 834 O ALA A 54 -2.241 -4.051 5.354 1.00 10.00 O ATOM 835 CB ALA A 54 -2.605 -3.981 2.527 1.00 10.00 C ATOM 0 H ALA A 54 -4.727 -2.274 3.216 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.099 -5.151 3.532 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.778 -4.606 2.863 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.922 -4.302 1.535 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.280 -2.941 2.486 1.00 10.00 H new ATOM 841 N THR A 55 -4.266 -3.146 5.715 1.00 10.00 N ATOM 842 CA THR A 55 -3.982 -2.691 7.068 1.00 10.00 C ATOM 843 C THR A 55 -3.734 -3.903 7.962 1.00 10.00 C ATOM 844 O THR A 55 -2.710 -3.980 8.643 1.00 10.00 O ATOM 845 CB THR A 55 -5.124 -1.823 7.642 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.558 -0.818 6.745 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.634 -1.123 8.912 1.00 10.00 C ATOM 0 H THR A 55 -5.220 -2.953 5.411 1.00 10.00 H new ATOM 0 HA THR A 55 -3.092 -2.063 7.036 1.00 10.00 H new ATOM 0 HB THR A 55 -5.960 -2.495 7.837 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.324 -1.148 6.230 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.436 -0.509 9.321 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.337 -1.870 9.648 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.779 -0.491 8.672 1.00 10.00 H new ATOM 855 N GLU A 56 -4.689 -4.838 7.949 1.00 10.00 N ATOM 856 CA GLU A 56 -4.672 -6.029 8.763 1.00 10.00 C ATOM 857 C GLU A 56 -3.404 -6.788 8.415 1.00 10.00 C ATOM 858 O GLU A 56 -2.549 -6.951 9.269 1.00 10.00 O ATOM 859 CB GLU A 56 -5.962 -6.819 8.499 1.00 10.00 C ATOM 860 CG GLU A 56 -6.125 -8.023 9.430 1.00 10.00 C ATOM 861 CD GLU A 56 -7.476 -8.686 9.193 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.628 -9.273 8.101 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.339 -8.557 10.087 1.00 10.00 O ATOM 0 H GLU A 56 -5.513 -4.773 7.351 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.654 -5.820 9.833 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.819 -6.156 8.618 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.966 -7.163 7.465 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.323 -8.740 9.254 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.045 -7.703 10.469 1.00 10.00 H new ATOM 870 N ASN A 57 -3.241 -7.163 7.145 1.00 10.00 N ATOM 871 CA ASN A 57 -2.082 -7.909 6.673 1.00 10.00 C ATOM 872 C ASN A 57 -0.759 -7.255 7.110 1.00 10.00 C ATOM 873 O ASN A 57 0.134 -7.918 7.635 1.00 10.00 O ATOM 874 CB ASN A 57 -2.179 -8.071 5.151 1.00 10.00 C ATOM 875 CG ASN A 57 -1.300 -9.212 4.648 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.250 -9.496 5.209 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.721 -9.884 3.583 1.00 10.00 N ATOM 0 H ASN A 57 -3.918 -6.954 6.412 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.083 -8.898 7.131 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.215 -8.259 4.870 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.881 -7.141 4.666 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.166 -10.656 3.215 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.600 -9.628 3.133 1.00 10.00 H new ATOM 884 N PHE A 58 -0.631 -5.936 6.929 1.00 10.00 N ATOM 885 CA PHE A 58 0.566 -5.223 7.362 1.00 10.00 C ATOM 886 C PHE A 58 0.837 -5.411 8.860 1.00 10.00 C ATOM 887 O PHE A 58 1.948 -5.787 9.242 1.00 10.00 O ATOM 888 CB PHE A 58 0.440 -3.739 7.015 1.00 10.00 C ATOM 889 CG PHE A 58 1.676 -2.914 7.323 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.803 -3.026 6.488 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.613 -1.873 8.268 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.838 -2.078 6.564 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.629 -0.901 8.310 1.00 10.00 C ATOM 894 CZ PHE A 58 3.749 -1.009 7.469 1.00 10.00 C ATOM 0 H PHE A 58 -1.338 -5.348 6.488 1.00 10.00 H new ATOM 0 HA PHE A 58 1.419 -5.645 6.830 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.211 -3.645 5.953 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.406 -3.321 7.562 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.873 -3.844 5.786 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.786 -1.820 8.960 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.703 -2.172 5.925 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.548 -0.068 8.992 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.538 -0.273 7.519 1.00 10.00 H new ATOM 904 N GLU A 59 -0.163 -5.121 9.699 1.00 10.00 N ATOM 905 CA GLU A 59 -0.015 -5.171 11.150 1.00 10.00 C ATOM 906 C GLU A 59 0.306 -6.597 11.597 1.00 10.00 C ATOM 907 O GLU A 59 1.291 -6.852 12.286 1.00 10.00 O ATOM 908 CB GLU A 59 -1.309 -4.667 11.811 1.00 10.00 C ATOM 909 CG GLU A 59 -1.092 -4.308 13.288 1.00 10.00 C ATOM 910 CD GLU A 59 -0.231 -3.065 13.419 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.789 -1.959 13.263 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.004 -3.198 13.547 1.00 10.00 O ATOM 0 H GLU A 59 -1.095 -4.846 9.388 1.00 10.00 H new ATOM 0 HA GLU A 59 0.810 -4.528 11.456 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.674 -3.792 11.274 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.080 -5.434 11.733 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -2.054 -4.142 13.772 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.616 -5.142 13.804 1.00 10.00 H new ATOM 919 N ASP A 60 -0.556 -7.515 11.166 1.00 10.00 N ATOM 920 CA ASP A 60 -0.474 -8.959 11.289 1.00 10.00 C ATOM 921 C ASP A 60 0.967 -9.439 11.095 1.00 10.00 C ATOM 922 O ASP A 60 1.548 -10.065 11.980 1.00 10.00 O ATOM 923 CB ASP A 60 -1.413 -9.575 10.241 1.00 10.00 C ATOM 924 CG ASP A 60 -1.347 -11.091 10.300 1.00 10.00 C ATOM 925 OD1 ASP A 60 -0.471 -11.629 9.588 1.00 10.00 O ATOM 926 OD2 ASP A 60 -2.147 -11.677 11.059 1.00 10.00 O ATOM 0 H ASP A 60 -1.406 -7.235 10.677 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.779 -9.272 12.287 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.435 -9.242 10.418 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.134 -9.231 9.245 1.00 10.00 H new ATOM 931 N HIS A 61 1.575 -9.076 9.961 1.00 10.00 N ATOM 932 CA HIS A 61 2.944 -9.451 9.622 1.00 10.00 C ATOM 933 C HIS A 61 4.014 -8.639 10.382 1.00 10.00 C ATOM 934 O HIS A 61 5.179 -8.650 9.996 1.00 10.00 O ATOM 935 CB HIS A 61 3.117 -9.335 8.102 1.00 10.00 C ATOM 936 CG HIS A 61 2.404 -10.395 7.298 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.282 -11.118 7.647 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.807 -10.842 6.070 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.025 -11.972 6.641 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.934 -11.851 5.658 1.00 10.00 N ATOM 0 H HIS A 61 1.121 -8.507 9.247 1.00 10.00 H new ATOM 0 HA HIS A 61 3.102 -10.481 9.941 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.758 -8.356 7.784 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.181 -9.376 7.868 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.746 -11.022 8.510 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.657 -10.476 5.513 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.197 -12.665 6.625 1.00 10.00 H new ATOM 948 N GLY A 62 3.657 -7.954 11.473 1.00 10.00 N ATOM 949 CA GLY A 62 4.596 -7.339 12.402 1.00 10.00 C ATOM 950 C GLY A 62 5.467 -6.258 11.766 1.00 10.00 C ATOM 951 O GLY A 62 6.620 -6.071 12.166 1.00 10.00 O ATOM 0 H GLY A 62 2.682 -7.811 11.736 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.040 -6.904 13.232 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.240 -8.113 12.820 1.00 10.00 H new ATOM 955 N HIS A 63 4.929 -5.516 10.794 1.00 10.00 N ATOM 956 CA HIS A 63 5.702 -4.485 10.121 1.00 10.00 C ATOM 957 C HIS A 63 6.056 -3.354 11.090 1.00 10.00 C ATOM 958 O HIS A 63 5.206 -2.560 11.503 1.00 10.00 O ATOM 959 CB HIS A 63 4.975 -3.995 8.879 1.00 10.00 C ATOM 960 CG HIS A 63 5.031 -5.000 7.757 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.121 -6.001 7.519 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.894 -4.966 6.698 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.405 -6.525 6.312 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.481 -5.925 5.769 1.00 10.00 N ATOM 0 H HIS A 63 3.969 -5.613 10.462 1.00 10.00 H new ATOM 0 HA HIS A 63 6.646 -4.912 9.783 1.00 10.00 H new ATOM 0 HB2 HIS A 63 3.934 -3.787 9.127 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.418 -3.056 8.547 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.368 -6.294 8.142 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.747 -4.312 6.597 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.845 -7.320 5.842 1.00 10.00 H new ATOM 972 N SER A 64 7.334 -3.330 11.470 1.00 10.00 N ATOM 973 CA SER A 64 7.871 -2.535 12.557 1.00 10.00 C ATOM 974 C SER A 64 8.288 -1.131 12.090 1.00 10.00 C ATOM 975 O SER A 64 7.959 -0.704 10.982 1.00 10.00 O ATOM 976 CB SER A 64 9.010 -3.348 13.190 1.00 10.00 C ATOM 977 OG SER A 64 8.501 -4.583 13.667 1.00 10.00 O ATOM 0 H SER A 64 8.047 -3.891 11.004 1.00 10.00 H new ATOM 0 HA SER A 64 7.112 -2.341 13.315 1.00 10.00 H new ATOM 0 HB2 SER A 64 9.796 -3.526 12.456 1.00 10.00 H new ATOM 0 HB3 SER A 64 9.460 -2.787 14.009 1.00 10.00 H new ATOM 0 HG SER A 64 7.818 -4.916 13.048 1.00 10.00 H new ATOM 983 N THR A 65 8.984 -0.403 12.967 1.00 10.00 N ATOM 984 CA THR A 65 9.298 1.015 12.886 1.00 10.00 C ATOM 985 C THR A 65 9.693 1.488 11.493 1.00 10.00 C ATOM 986 O THR A 65 9.087 2.403 10.948 1.00 10.00 O ATOM 987 CB THR A 65 10.440 1.288 13.885 1.00 10.00 C ATOM 988 OG1 THR A 65 11.325 0.177 13.930 1.00 10.00 O ATOM 989 CG2 THR A 65 9.872 1.475 15.294 1.00 10.00 C ATOM 0 H THR A 65 9.368 -0.826 13.812 1.00 10.00 H new ATOM 0 HA THR A 65 8.395 1.576 13.129 1.00 10.00 H new ATOM 0 HB THR A 65 10.965 2.186 13.559 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.070 0.327 13.311 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.687 1.667 15.992 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.183 2.319 15.299 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.342 0.572 15.595 1.00 10.00 H new ATOM 997 N ASP A 66 10.735 0.892 10.934 1.00 10.00 N ATOM 998 CA ASP A 66 11.383 1.335 9.718 1.00 10.00 C ATOM 999 C ASP A 66 10.390 1.267 8.556 1.00 10.00 C ATOM 1000 O ASP A 66 10.249 2.209 7.774 1.00 10.00 O ATOM 1001 CB ASP A 66 12.623 0.450 9.516 1.00 10.00 C ATOM 1002 CG ASP A 66 13.528 0.427 10.753 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.004 0.054 11.835 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.709 0.799 10.603 1.00 10.00 O ATOM 0 H ASP A 66 11.165 0.057 11.332 1.00 10.00 H new ATOM 0 HA ASP A 66 11.708 2.374 9.775 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.307 -0.566 9.281 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.191 0.814 8.660 1.00 10.00 H new ATOM 1009 N ALA A 67 9.648 0.158 8.488 1.00 10.00 N ATOM 1010 CA ALA A 67 8.600 -0.051 7.511 1.00 10.00 C ATOM 1011 C ALA A 67 7.489 0.970 7.736 1.00 10.00 C ATOM 1012 O ALA A 67 6.982 1.559 6.786 1.00 10.00 O ATOM 1013 CB ALA A 67 8.068 -1.486 7.603 1.00 10.00 C ATOM 0 H ALA A 67 9.769 -0.628 9.126 1.00 10.00 H new ATOM 0 HA ALA A 67 9.000 0.088 6.507 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.281 -1.630 6.863 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.879 -2.188 7.411 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.665 -1.661 8.601 1.00 10.00 H new ATOM 1019 N ARG A 68 7.122 1.186 9.002 1.00 10.00 N ATOM 1020 CA ARG A 68 6.196 2.228 9.422 1.00 10.00 C ATOM 1021 C ARG A 68 6.596 3.582 8.823 1.00 10.00 C ATOM 1022 O ARG A 68 5.795 4.231 8.145 1.00 10.00 O ATOM 1023 CB ARG A 68 6.151 2.291 10.963 1.00 10.00 C ATOM 1024 CG ARG A 68 4.733 2.118 11.506 1.00 10.00 C ATOM 1025 CD ARG A 68 4.359 0.631 11.542 1.00 10.00 C ATOM 1026 NE ARG A 68 2.904 0.465 11.388 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.175 -0.574 11.827 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.769 -1.668 12.307 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.843 -0.489 11.783 1.00 10.00 N ATOM 0 H ARG A 68 7.472 0.625 9.778 1.00 10.00 H new ATOM 0 HA ARG A 68 5.198 1.989 9.054 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.794 1.513 11.376 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.552 3.247 11.298 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.665 2.542 12.508 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.027 2.663 10.880 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.879 0.099 10.745 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.684 0.190 12.484 1.00 10.00 H new ATOM 0 HE ARG A 68 2.403 1.209 10.902 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.787 -1.721 12.343 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.205 -2.451 12.638 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.397 0.354 11.421 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.271 -1.267 12.112 1.00 10.00 H new ATOM 1043 N GLU A 69 7.842 4.002 9.065 1.00 10.00 N ATOM 1044 CA GLU A 69 8.367 5.268 8.596 1.00 10.00 C ATOM 1045 C GLU A 69 8.213 5.338 7.082 1.00 10.00 C ATOM 1046 O GLU A 69 7.567 6.240 6.550 1.00 10.00 O ATOM 1047 CB GLU A 69 9.818 5.437 9.071 1.00 10.00 C ATOM 1048 CG GLU A 69 10.356 6.874 8.947 1.00 10.00 C ATOM 1049 CD GLU A 69 9.553 7.930 9.701 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.915 7.620 10.733 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.488 9.081 9.215 1.00 10.00 O ATOM 0 H GLU A 69 8.517 3.456 9.601 1.00 10.00 H new ATOM 0 HA GLU A 69 7.807 6.104 9.016 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.887 5.123 10.113 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.458 4.770 8.494 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.384 6.894 9.309 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.384 7.146 7.892 1.00 10.00 H new ATOM 1058 N LEU A 70 8.728 4.309 6.405 1.00 10.00 N ATOM 1059 CA LEU A 70 8.536 4.134 4.969 1.00 10.00 C ATOM 1060 C LEU A 70 7.070 4.332 4.558 1.00 10.00 C ATOM 1061 O LEU A 70 6.766 4.957 3.548 1.00 10.00 O ATOM 1062 CB LEU A 70 9.034 2.747 4.516 1.00 10.00 C ATOM 1063 CG LEU A 70 10.258 2.773 3.589 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.193 3.880 2.527 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.537 2.908 4.416 1.00 10.00 C ATOM 0 H LEU A 70 9.289 3.576 6.839 1.00 10.00 H new ATOM 0 HA LEU A 70 9.127 4.902 4.470 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.278 2.158 5.400 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.220 2.233 4.005 1.00 10.00 H new ATOM 0 HG LEU A 70 10.261 1.827 3.048 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.088 3.842 1.906 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.312 3.734 1.902 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.133 4.852 3.017 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.400 2.926 3.751 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.503 3.834 4.991 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.621 2.061 5.097 1.00 10.00 H new ATOM 1077 N SER A 71 6.139 3.810 5.349 1.00 10.00 N ATOM 1078 CA SER A 71 4.723 3.882 5.050 1.00 10.00 C ATOM 1079 C SER A 71 4.217 5.323 5.071 1.00 10.00 C ATOM 1080 O SER A 71 3.384 5.692 4.245 1.00 10.00 O ATOM 1081 CB SER A 71 3.983 2.898 5.970 1.00 10.00 C ATOM 1082 OG SER A 71 3.378 3.527 7.086 1.00 10.00 O ATOM 0 H SER A 71 6.352 3.323 6.220 1.00 10.00 H new ATOM 0 HA SER A 71 4.518 3.565 4.027 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.217 2.378 5.395 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.685 2.142 6.323 1.00 10.00 H new ATOM 0 HG SER A 71 4.074 3.878 7.680 1.00 10.00 H new ATOM 1088 N LYS A 72 4.779 6.163 5.945 1.00 10.00 N ATOM 1089 CA LYS A 72 4.518 7.601 5.898 1.00 10.00 C ATOM 1090 C LYS A 72 5.004 8.130 4.557 1.00 10.00 C ATOM 1091 O LYS A 72 4.271 8.780 3.825 1.00 10.00 O ATOM 1092 CB LYS A 72 5.254 8.346 7.021 1.00 10.00 C ATOM 1093 CG LYS A 72 5.033 7.708 8.394 1.00 10.00 C ATOM 1094 CD LYS A 72 6.162 8.083 9.356 1.00 10.00 C ATOM 1095 CE LYS A 72 6.133 9.484 9.969 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.438 9.759 10.607 1.00 10.00 N ATOM 0 H LYS A 72 5.414 5.873 6.689 1.00 10.00 H new ATOM 0 HA LYS A 72 3.448 7.766 6.027 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.321 8.365 6.801 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.916 9.382 7.047 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.077 8.036 8.803 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.981 6.624 8.292 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.163 7.359 10.171 1.00 10.00 H new ATOM 0 HD3 LYS A 72 7.107 7.968 8.826 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.927 10.227 9.199 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.332 9.556 10.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.335 10.540 11.286 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.767 8.908 11.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 8.132 10.023 9.879 1.00 10.00 H new ATOM 1110 N THR A 73 6.253 7.815 4.235 1.00 10.00 N ATOM 1111 CA THR A 73 6.897 8.188 2.979 1.00 10.00 C ATOM 1112 C THR A 73 6.046 7.779 1.766 1.00 10.00 C ATOM 1113 O THR A 73 6.046 8.473 0.752 1.00 10.00 O ATOM 1114 CB THR A 73 8.312 7.588 2.933 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.917 7.755 4.201 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.200 8.237 1.870 1.00 10.00 C ATOM 0 H THR A 73 6.862 7.280 4.854 1.00 10.00 H new ATOM 0 HA THR A 73 6.986 9.273 2.930 1.00 10.00 H new ATOM 0 HB THR A 73 8.213 6.534 2.672 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.820 7.375 4.185 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.186 7.772 1.886 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.750 8.100 0.887 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.298 9.302 2.079 1.00 10.00 H new ATOM 1124 N PHE A 74 5.321 6.661 1.865 1.00 10.00 N ATOM 1125 CA PHE A 74 4.453 6.160 0.806 1.00 10.00 C ATOM 1126 C PHE A 74 3.092 6.854 0.755 1.00 10.00 C ATOM 1127 O PHE A 74 2.353 6.627 -0.205 1.00 10.00 O ATOM 1128 CB PHE A 74 4.258 4.652 0.969 1.00 10.00 C ATOM 1129 CG PHE A 74 5.519 3.806 0.946 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.640 4.166 0.167 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.504 2.562 1.596 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.768 3.330 0.128 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.590 1.686 1.468 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.763 2.114 0.830 1.00 10.00 C ATOM 0 H PHE A 74 5.324 6.072 2.698 1.00 10.00 H new ATOM 0 HA PHE A 74 4.952 6.382 -0.137 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.743 4.473 1.913 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.598 4.304 0.175 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.630 5.085 -0.400 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.652 2.279 2.197 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.638 3.622 -0.441 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.524 0.682 1.860 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.658 1.511 0.878 1.00 10.00 H new ATOM 1144 N ILE A 75 2.736 7.661 1.762 1.00 10.00 N ATOM 1145 CA ILE A 75 1.524 8.489 1.692 1.00 10.00 C ATOM 1146 C ILE A 75 1.456 9.265 0.373 1.00 10.00 C ATOM 1147 O ILE A 75 2.362 10.028 0.046 1.00 10.00 O ATOM 1148 CB ILE A 75 1.381 9.448 2.894 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.975 8.618 4.111 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.309 10.530 2.658 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.129 9.350 5.447 1.00 10.00 C ATOM 0 H ILE A 75 3.265 7.759 2.629 1.00 10.00 H new ATOM 0 HA ILE A 75 0.682 7.798 1.735 1.00 10.00 H new ATOM 0 HB ILE A 75 2.334 9.955 3.042 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.064 8.309 3.996 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.577 7.710 4.135 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.248 11.178 3.532 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.577 11.124 1.784 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.657 10.054 2.490 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.820 8.693 6.260 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.172 9.636 5.587 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.505 10.244 5.446 1.00 10.00 H new ATOM 1163 N ILE A 76 0.344 9.099 -0.349 1.00 10.00 N ATOM 1164 CA ILE A 76 0.056 9.806 -1.597 1.00 10.00 C ATOM 1165 C ILE A 76 -1.314 10.497 -1.573 1.00 10.00 C ATOM 1166 O ILE A 76 -1.662 11.196 -2.526 1.00 10.00 O ATOM 1167 CB ILE A 76 0.102 8.804 -2.763 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.659 7.522 -2.376 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.553 8.497 -3.155 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.188 6.744 -3.573 1.00 10.00 C ATOM 0 H ILE A 76 -0.397 8.454 -0.074 1.00 10.00 H new ATOM 0 HA ILE A 76 0.811 10.582 -1.722 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.385 9.244 -3.633 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.002 6.877 -1.797 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.494 7.787 -1.727 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.564 7.786 -3.981 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.050 9.418 -3.461 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.078 8.069 -2.301 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.713 5.854 -3.225 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.875 7.372 -4.140 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.356 6.448 -4.211 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.123 10.253 -0.540 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.573 10.364 -0.633 1.00 10.00 C ATOM 1184 C GLY A 77 -4.147 9.505 0.469 1.00 10.00 C ATOM 1185 O GLY A 77 -3.394 8.854 1.200 1.00 10.00 O ATOM 0 H GLY A 77 -1.788 9.973 0.382 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.890 11.401 -0.520 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.925 10.028 -1.608 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.471 9.530 0.604 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.137 8.932 1.737 1.00 10.00 C ATOM 1191 C GLU A 78 -7.388 8.197 1.315 1.00 10.00 C ATOM 1192 O GLU A 78 -8.002 8.526 0.312 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.505 10.037 2.727 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.289 10.980 2.885 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.303 11.861 4.116 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.505 11.291 5.210 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.101 13.077 3.940 1.00 10.00 O ATOM 0 H GLU A 78 -6.101 9.965 -0.070 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.463 8.210 2.199 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.371 10.593 2.369 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.778 9.607 3.690 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.382 10.375 2.903 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.229 11.618 2.003 1.00 10.00 H new ATOM 1204 N LEU A 79 -7.752 7.213 2.118 1.00 10.00 N ATOM 1205 CA LEU A 79 -8.842 6.295 1.878 1.00 10.00 C ATOM 1206 C LEU A 79 -10.161 7.048 1.949 1.00 10.00 C ATOM 1207 O LEU A 79 -10.556 7.477 3.030 1.00 10.00 O ATOM 1208 CB LEU A 79 -8.679 5.266 2.990 1.00 10.00 C ATOM 1209 CG LEU A 79 -9.693 4.146 3.103 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.695 4.393 4.204 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -10.546 3.869 1.899 1.00 10.00 C ATOM 0 H LEU A 79 -7.269 7.027 2.997 1.00 10.00 H new ATOM 0 HA LEU A 79 -8.835 5.821 0.896 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.695 4.810 2.876 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.674 5.803 3.938 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.029 3.299 3.276 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.401 3.564 4.246 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.174 4.475 5.158 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.235 5.319 4.004 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.226 3.045 2.117 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.123 4.759 1.649 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -9.909 3.601 1.056 1.00 10.00 H new ATOM 1223 N HIS A 80 -10.832 7.253 0.812 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.023 8.070 0.826 1.00 10.00 C ATOM 1225 C HIS A 80 -13.186 7.359 1.507 1.00 10.00 C ATOM 1226 O HIS A 80 -13.409 6.186 1.240 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.437 8.444 -0.588 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.494 9.505 -0.630 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.851 9.322 -0.772 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.264 10.825 -0.367 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.428 10.524 -0.589 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.505 11.467 -0.331 1.00 10.00 N ATOM 0 H HIS A 80 -10.572 6.873 -0.098 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.781 8.970 1.391 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.561 8.790 -1.137 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -12.803 7.554 -1.100 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.300 11.288 -0.215 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.491 10.707 -0.642 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.676 12.455 -0.146 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.986 8.027 2.342 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.736 7.317 3.359 1.00 10.00 C ATOM 1242 C PRO A 81 -16.000 6.635 2.917 1.00 10.00 C ATOM 1243 O PRO A 81 -16.646 5.931 3.688 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.203 8.420 4.298 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.179 9.545 4.120 1.00 10.00 C ATOM 1246 CD PRO A 81 -14.038 9.453 2.612 1.00 10.00 C ATOM 0 HA PRO A 81 -14.087 6.533 3.749 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.208 8.756 4.044 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.234 8.073 5.331 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.547 10.514 4.456 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.244 9.359 4.648 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.880 9.923 2.104 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -13.135 9.956 2.266 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.369 6.884 1.674 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.424 6.112 1.066 1.00 10.00 C ATOM 1256 C ASP A 82 -17.062 4.620 1.171 1.00 10.00 C ATOM 1257 O ASP A 82 -17.923 3.759 1.336 1.00 10.00 O ATOM 1258 CB ASP A 82 -17.610 6.588 -0.377 1.00 10.00 C ATOM 1259 CG ASP A 82 -18.750 5.852 -1.061 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -19.910 6.162 -0.714 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -18.436 5.029 -1.946 1.00 10.00 O ATOM 0 H ASP A 82 -15.959 7.603 1.078 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.377 6.251 1.576 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.810 7.660 -0.385 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -16.687 6.431 -0.935 1.00 10.00 H new ATOM 1266 N ASP A 83 -15.748 4.359 1.164 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.125 3.104 1.535 1.00 10.00 C ATOM 1268 C ASP A 83 -15.403 2.676 2.982 1.00 10.00 C ATOM 1269 O ASP A 83 -16.140 1.716 3.206 1.00 10.00 O ATOM 1270 CB ASP A 83 -13.624 3.281 1.351 1.00 10.00 C ATOM 1271 CG ASP A 83 -12.951 1.914 1.232 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -13.031 1.145 2.214 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -12.285 1.690 0.202 1.00 10.00 O ATOM 0 H ASP A 83 -15.064 5.062 0.883 1.00 10.00 H new ATOM 0 HA ASP A 83 -15.543 2.320 0.904 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -13.425 3.873 0.458 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.207 3.829 2.196 1.00 10.00 H new ATOM 1278 N ARG A 84 -14.777 3.352 3.961 1.00 10.00 N ATOM 1279 CA ARG A 84 -14.918 3.038 5.368 1.00 10.00 C ATOM 1280 C ARG A 84 -14.806 4.276 6.251 1.00 10.00 C ATOM 1281 O ARG A 84 -15.093 4.160 7.461 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.020 1.885 5.831 1.00 10.00 C ATOM 1283 CG ARG A 84 -12.585 2.325 6.129 1.00 10.00 C ATOM 1284 CD ARG A 84 -11.562 1.438 5.422 1.00 10.00 C ATOM 1285 NE ARG A 84 -11.326 0.179 6.141 1.00 10.00 N ATOM 1286 CZ ARG A 84 -10.236 -0.559 5.896 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -9.553 -0.353 4.773 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -9.783 -1.472 6.757 1.00 10.00 N ATOM 1289 OXT ARG A 84 -14.366 5.314 5.718 1.00 10.00 O ATOM 0 H ARG A 84 -14.154 4.139 3.781 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.935 2.666 5.489 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.449 1.435 6.726 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.005 1.113 5.062 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -12.449 3.359 5.814 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -12.411 2.294 7.205 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -11.911 1.218 4.413 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -10.621 1.980 5.323 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.002 -0.137 6.836 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -9.862 0.360 4.112 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -8.721 -0.908 4.573 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.271 -1.628 7.639 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.949 -2.014 6.533 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.195 -6.089 3.930 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.643 -8.355 5.004 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.447 -3.478 4.422 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.712 -3.855 3.148 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.058 -8.770 3.280 1.00 10.00 C HETATM 1309 NA HEM A 201 8.177 -5.941 4.602 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.951 -6.994 5.011 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.210 -6.450 5.470 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.158 -5.085 5.306 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.870 -4.768 4.736 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.238 -4.106 5.712 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.354 -7.214 6.096 1.00 10.00 C HETATM 1316 CBA HEM A 201 11.112 -7.533 7.568 1.00 10.00 C HETATM 1317 CGA HEM A 201 12.419 -7.869 8.274 1.00 10.00 C HETATM 1318 O1A HEM A 201 12.550 -7.465 9.449 1.00 10.00 O HETATM 1319 O2A HEM A 201 13.273 -8.504 7.616 1.00 10.00 O HETATM 1320 NB HEM A 201 6.118 -4.054 3.747 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.162 -3.183 3.974 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.688 -1.845 3.708 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.370 -1.979 3.340 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.995 -3.367 3.400 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.478 -0.570 3.882 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.469 -0.899 2.786 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.970 0.034 3.613 1.00 10.00 C HETATM 1328 NC HEM A 201 4.236 -6.276 3.351 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.398 -5.213 3.144 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.075 -5.743 2.936 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.212 -7.107 2.857 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.568 -7.462 3.177 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.789 -4.965 2.910 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.080 -8.097 2.683 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.184 -7.968 1.681 1.00 10.00 C HETATM 1336 ND HEM A 201 6.335 -8.196 4.085 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.348 -9.071 3.721 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.873 -10.408 3.889 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.144 -10.286 4.403 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.437 -8.876 4.525 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.187 -11.719 3.571 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.062 -11.434 4.750 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.957 -11.846 6.220 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.889 -13.020 6.495 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.102 -12.843 6.255 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.369 -14.076 6.916 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.811 -4.520 6.541 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 10.780 -3.167 6.021 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.902 -3.925 4.866 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.203 -0.698 4.686 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.800 0.247 4.131 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.002 -0.337 2.955 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.878 -4.094 3.559 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.026 -5.598 3.261 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.582 -4.639 1.891 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.110 -11.606 3.696 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.551 -12.493 4.246 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.405 -12.004 2.542 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.319 0.817 3.223 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.216 0.009 4.675 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.623 -8.693 1.575 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.268 -7.139 0.978 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 10.422 -8.372 7.654 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 10.639 -6.681 8.056 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.270 -6.631 6.000 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.508 -8.143 5.548 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.930 -12.122 6.457 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.217 -11.005 6.862 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.091 -11.152 4.528 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.823 -12.290 4.118 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.378 -9.045 5.391 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.151 -2.666 4.532 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.923 -3.145 2.946 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.406 -9.586 3.005 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.226 -0.878 1.724 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.986 -8.930 3.380 1.00 10.00 H new