USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 45 HIS : no HE2:sc= 0.215 K(o=-3.9,f=-7.2!) USER MOD Set 1.2: A 201 HEM CMD :methyl -30:sc= -4.13! (180deg=-4.33!) USER MOD Set 2.1: A 21 THR OG1 : rot -36:sc= 1.94 USER MOD Set 2.2: A 33 THR OG1 : rot -57:sc= 0.341 USER MOD Set 3.1: A 16 ASN : amide:sc= 1.84 K(o=3.9,f=-8.2) USER MOD Set 3.2: A 17 ASN : amide:sc= 2.08 K(o=3.9,f=-6.5!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= -0.0962 K(o=0.95,f=-7.1!) USER MOD Set 4.2: A 20 SER OG : rot -142:sc= 1.04 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 10:sc= 0.98 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00312 USER MOD Single : A 13 GLN : amide:sc= 0.46 K(o=0.46,f=-0.14) USER MOD Single : A 14 LYS NZ :NH3+ -140:sc= 0.169 (180deg=-5.34!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 26 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.047) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 130:sc= -0.127 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0.667 (180deg=0.0496) USER MOD Single : A 49 GLN : amide:sc= 0.104 K(o=0.1,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot 82:sc= 2.08 USER MOD Single : A 57 ASN : amide:sc= -0.469 K(o=-0.47,f=-2!) USER MOD Single : A 64 SER OG : rot 135:sc= 0.575 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 71 SER OG : rot -76:sc= 1.03 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.132 (180deg=-0.806!) USER MOD Single : A 73 THR OG1 : rot -42:sc= 0.109 USER MOD Single : A 80 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-7.4!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.134 (180deg=-0.268) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -1.15 (180deg=-1.15) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -1.12 (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.725 1.797 -19.177 1.00 0.00 N ATOM 2 CA ALA A 3 1.306 0.513 -18.568 1.00 0.00 C ATOM 3 C ALA A 3 1.699 0.470 -17.086 1.00 0.00 C ATOM 4 O ALA A 3 2.215 1.468 -16.591 1.00 0.00 O ATOM 5 CB ALA A 3 -0.200 0.297 -18.760 1.00 0.00 C ATOM 0 HA ALA A 3 1.824 -0.303 -19.071 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.492 -0.650 -18.307 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.748 1.111 -18.285 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.432 0.277 -19.825 1.00 0.00 H new ATOM 13 N VAL A 4 1.480 -0.658 -16.402 1.00 0.00 N ATOM 14 CA VAL A 4 1.886 -0.877 -15.013 1.00 0.00 C ATOM 15 C VAL A 4 2.460 -2.293 -14.860 1.00 0.00 C ATOM 16 O VAL A 4 2.129 -3.179 -15.644 1.00 0.00 O ATOM 17 CB VAL A 4 0.706 -0.644 -14.047 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.192 0.798 -14.112 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.453 -1.614 -14.301 1.00 0.00 C ATOM 0 H VAL A 4 1.004 -1.462 -16.810 1.00 0.00 H new ATOM 0 HA VAL A 4 2.661 -0.156 -14.754 1.00 0.00 H new ATOM 0 HB VAL A 4 1.098 -0.832 -13.047 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.639 0.920 -13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.995 1.483 -13.841 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.147 1.018 -15.124 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.259 -1.410 -13.596 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.820 -1.484 -15.319 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.106 -2.639 -14.168 1.00 0.00 H new ATOM 29 N LYS A 5 3.326 -2.499 -13.864 1.00 0.00 N ATOM 30 CA LYS A 5 3.992 -3.779 -13.621 1.00 0.00 C ATOM 31 C LYS A 5 3.078 -4.843 -13.027 1.00 0.00 C ATOM 32 O LYS A 5 3.202 -6.004 -13.409 1.00 0.00 O ATOM 33 CB LYS A 5 5.245 -3.532 -12.766 1.00 0.00 C ATOM 34 CG LYS A 5 5.838 -4.837 -12.215 1.00 0.00 C ATOM 35 CD LYS A 5 7.231 -4.657 -11.598 1.00 0.00 C ATOM 36 CE LYS A 5 8.331 -4.530 -12.658 1.00 0.00 C ATOM 37 NZ LYS A 5 9.666 -4.447 -12.026 1.00 0.00 N ATOM 0 H LYS A 5 3.586 -1.773 -13.197 1.00 0.00 H new ATOM 0 HA LYS A 5 4.288 -4.195 -14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.996 -3.018 -13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.992 -2.871 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.164 -5.244 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.897 -5.570 -13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.234 -3.767 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.451 -5.506 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.295 -5.388 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.156 -3.642 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.394 -4.362 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.704 -3.615 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.839 -5.306 -11.466 1.00 0.00 H new ATOM 47 N TYR A 6 2.208 -4.444 -12.095 1.00 0.00 N ATOM 48 CA TYR A 6 1.358 -5.332 -11.303 1.00 0.00 C ATOM 49 C TYR A 6 2.174 -6.204 -10.343 1.00 0.00 C ATOM 50 O TYR A 6 3.324 -6.555 -10.602 1.00 0.00 O ATOM 51 CB TYR A 6 0.486 -6.235 -12.192 1.00 0.00 C ATOM 52 CG TYR A 6 -0.312 -5.569 -13.304 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.582 -5.025 -13.050 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.156 -5.627 -14.633 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.353 -4.494 -14.100 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.623 -5.117 -15.685 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.872 -4.544 -15.415 1.00 0.00 C ATOM 58 OH TYR A 6 -2.630 -4.052 -16.433 1.00 0.00 O ATOM 0 H TYR A 6 2.073 -3.460 -11.865 1.00 0.00 H new ATOM 0 HA TYR A 6 0.709 -4.681 -10.718 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.133 -6.986 -12.646 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.214 -6.766 -11.547 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.969 -5.014 -12.042 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.120 -6.066 -14.844 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.315 -4.048 -13.893 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.259 -5.167 -16.701 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.151 -4.162 -17.281 1.00 0.00 H new ATOM 67 N TYR A 7 1.568 -6.554 -9.214 1.00 0.00 N ATOM 68 CA TYR A 7 2.164 -7.434 -8.226 1.00 0.00 C ATOM 69 C TYR A 7 1.061 -8.318 -7.668 1.00 0.00 C ATOM 70 O TYR A 7 0.027 -7.809 -7.254 1.00 0.00 O ATOM 71 CB TYR A 7 2.840 -6.611 -7.124 1.00 0.00 C ATOM 72 CG TYR A 7 3.673 -5.462 -7.630 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.053 -4.233 -7.909 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.023 -5.656 -7.949 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.773 -3.228 -8.565 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.786 -4.578 -8.418 1.00 0.00 C ATOM 77 CZ TYR A 7 5.156 -3.365 -8.751 1.00 0.00 C ATOM 78 OH TYR A 7 5.859 -2.334 -9.296 1.00 0.00 O ATOM 0 H TYR A 7 0.636 -6.228 -8.959 1.00 0.00 H new ATOM 0 HA TYR A 7 2.936 -8.058 -8.676 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.072 -6.221 -6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.474 -7.271 -6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.026 -4.064 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.473 -6.631 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.264 -2.347 -8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.856 -4.678 -8.524 1.00 0.00 H new ATOM 0 HH TYR A 7 5.287 -1.540 -9.350 1.00 0.00 H new ATOM 87 N THR A 8 1.250 -9.634 -7.678 1.00 0.00 N ATOM 88 CA THR A 8 0.254 -10.523 -7.097 1.00 0.00 C ATOM 89 C THR A 8 0.313 -10.378 -5.587 1.00 0.00 C ATOM 90 O THR A 8 1.365 -10.104 -5.012 1.00 0.00 O ATOM 91 CB THR A 8 0.501 -11.968 -7.533 1.00 0.00 C ATOM 92 OG1 THR A 8 1.846 -12.309 -7.264 1.00 0.00 O ATOM 93 CG2 THR A 8 0.232 -12.113 -9.033 1.00 0.00 C ATOM 0 H THR A 8 2.067 -10.100 -8.074 1.00 0.00 H new ATOM 0 HA THR A 8 -0.743 -10.254 -7.447 1.00 0.00 H new ATOM 0 HB THR A 8 -0.168 -12.631 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.010 -13.235 -7.540 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.410 -13.145 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.803 -11.846 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.898 -11.452 -9.588 1.00 0.00 H new ATOM 101 N LEU A 9 -0.826 -10.550 -4.935 1.00 0.00 N ATOM 102 CA LEU A 9 -0.976 -10.501 -3.495 1.00 0.00 C ATOM 103 C LEU A 9 -0.002 -11.439 -2.787 1.00 0.00 C ATOM 104 O LEU A 9 0.366 -11.174 -1.656 1.00 0.00 O ATOM 105 CB LEU A 9 -2.393 -10.920 -3.200 1.00 0.00 C ATOM 106 CG LEU A 9 -2.913 -10.644 -1.780 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.119 -9.148 -1.524 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.250 -11.370 -1.608 1.00 0.00 C ATOM 0 H LEU A 9 -1.705 -10.735 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.760 -9.496 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.051 -10.416 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.479 -11.990 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.171 -11.002 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.487 -9.000 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.171 -8.624 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.846 -8.754 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.637 -11.187 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.962 -11.000 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.104 -12.441 -1.751 1.00 0.00 H new ATOM 119 N GLU A 10 0.412 -12.536 -3.430 1.00 0.00 N ATOM 120 CA GLU A 10 1.548 -13.316 -2.934 1.00 0.00 C ATOM 121 C GLU A 10 2.732 -12.364 -2.687 1.00 0.00 C ATOM 122 O GLU A 10 3.272 -12.299 -1.582 1.00 0.00 O ATOM 123 CB GLU A 10 1.927 -14.460 -3.907 1.00 0.00 C ATOM 124 CG GLU A 10 3.443 -14.725 -3.788 1.00 0.00 C ATOM 125 CD GLU A 10 4.011 -16.046 -4.280 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.238 -16.876 -4.797 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.248 -16.172 -4.093 1.00 0.00 O ATOM 0 H GLU A 10 -0.016 -12.899 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 10 1.271 -13.796 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.365 -15.363 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.670 -14.187 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.957 -13.928 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.711 -14.625 -2.736 1.00 0.00 H new ATOM 132 N GLU A 11 3.126 -11.610 -3.716 1.00 0.00 N ATOM 133 CA GLU A 11 4.202 -10.640 -3.631 1.00 0.00 C ATOM 134 C GLU A 11 3.857 -9.593 -2.602 1.00 0.00 C ATOM 135 O GLU A 11 4.584 -9.436 -1.631 1.00 0.00 O ATOM 136 CB GLU A 11 4.602 -10.079 -5.017 1.00 0.00 C ATOM 137 CG GLU A 11 6.124 -10.237 -5.235 1.00 0.00 C ATOM 138 CD GLU A 11 6.612 -11.672 -5.041 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.878 -12.605 -5.426 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.648 -11.883 -4.370 1.00 0.00 O ATOM 0 H GLU A 11 2.697 -11.662 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 11 5.109 -11.135 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.058 -10.605 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.324 -9.027 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.377 -9.907 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.654 -9.583 -4.543 1.00 0.00 H new ATOM 145 N ILE A 12 2.695 -8.961 -2.730 1.00 0.00 N ATOM 146 CA ILE A 12 2.281 -7.967 -1.752 1.00 0.00 C ATOM 147 C ILE A 12 2.399 -8.479 -0.312 1.00 0.00 C ATOM 148 O ILE A 12 2.968 -7.794 0.540 1.00 0.00 O ATOM 149 CB ILE A 12 0.890 -7.397 -2.074 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.666 -7.093 -3.568 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.671 -6.091 -1.312 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.780 -6.705 -3.857 1.00 0.00 C ATOM 0 H ILE A 12 2.033 -9.117 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 12 2.981 -7.134 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 12 0.187 -8.175 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.328 -6.284 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.933 -7.968 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.317 -5.694 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.742 -6.279 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.431 -5.367 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.896 -6.499 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.440 -7.524 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.039 -5.814 -3.285 1.00 0.00 H new ATOM 163 N GLN A 13 1.985 -9.722 -0.054 1.00 0.00 N ATOM 164 CA GLN A 13 2.132 -10.303 1.280 1.00 0.00 C ATOM 165 C GLN A 13 3.575 -10.306 1.791 1.00 0.00 C ATOM 166 O GLN A 13 3.805 -10.165 2.991 1.00 0.00 O ATOM 167 CB GLN A 13 1.584 -11.729 1.314 1.00 0.00 C ATOM 168 CG GLN A 13 0.058 -11.763 1.502 1.00 0.00 C ATOM 169 CD GLN A 13 -0.407 -11.262 2.865 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.495 -12.024 3.819 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.735 -9.982 2.982 1.00 0.00 N ATOM 0 H GLN A 13 1.551 -10.338 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 13 1.554 -9.660 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.845 -12.238 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.060 -12.280 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.408 -11.157 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.293 -12.785 1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.656 -9.360 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.066 -9.620 3.876 1.00 0.00 H new ATOM 178 N LYS A 14 4.552 -10.470 0.900 1.00 0.00 N ATOM 179 CA LYS A 14 5.954 -10.538 1.278 1.00 0.00 C ATOM 180 C LYS A 14 6.509 -9.156 1.703 1.00 0.00 C ATOM 181 O LYS A 14 7.589 -9.085 2.292 1.00 0.00 O ATOM 182 CB LYS A 14 6.750 -11.169 0.116 1.00 0.00 C ATOM 183 CG LYS A 14 6.846 -12.703 0.215 1.00 0.00 C ATOM 184 CD LYS A 14 7.365 -13.344 -1.093 1.00 0.00 C ATOM 185 CE LYS A 14 6.176 -13.707 -1.993 1.00 0.00 C ATOM 186 NZ LYS A 14 6.547 -14.049 -3.386 1.00 0.00 N ATOM 0 H LYS A 14 4.389 -10.559 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 14 6.062 -11.171 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.277 -10.900 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.755 -10.748 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.510 -12.971 1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.864 -13.112 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.029 -12.652 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.949 -14.236 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.647 -14.552 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.479 -12.869 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.850 -13.640 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.490 -13.664 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.562 -15.083 -3.497 1.00 0.00 H new ATOM 196 N HIS A 15 5.791 -8.057 1.424 1.00 0.00 N ATOM 197 CA HIS A 15 6.186 -6.686 1.765 1.00 0.00 C ATOM 198 C HIS A 15 5.311 -6.091 2.884 1.00 0.00 C ATOM 199 O HIS A 15 4.354 -5.365 2.621 1.00 0.00 O ATOM 200 CB HIS A 15 6.091 -5.819 0.511 1.00 0.00 C ATOM 201 CG HIS A 15 7.023 -6.210 -0.604 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.171 -5.552 -0.974 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.732 -7.093 -1.601 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.607 -6.094 -2.122 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.768 -7.051 -2.538 1.00 0.00 N ATOM 0 H HIS A 15 4.894 -8.102 0.941 1.00 0.00 H new ATOM 0 HA HIS A 15 7.210 -6.708 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.067 -5.856 0.139 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.293 -4.784 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.853 -7.717 -1.657 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.509 -5.799 -2.638 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.865 -7.632 -3.371 1.00 0.00 H new ATOM 212 N ASN A 16 5.664 -6.364 4.144 1.00 0.00 N ATOM 213 CA ASN A 16 4.840 -6.041 5.313 1.00 0.00 C ATOM 214 C ASN A 16 5.619 -5.422 6.490 1.00 0.00 C ATOM 215 O ASN A 16 5.088 -5.334 7.594 1.00 0.00 O ATOM 216 CB ASN A 16 4.116 -7.327 5.738 1.00 0.00 C ATOM 217 CG ASN A 16 5.103 -8.437 6.096 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.901 -8.307 7.018 1.00 0.00 O ATOM 219 ND2 ASN A 16 5.111 -9.537 5.360 1.00 0.00 N ATOM 0 H ASN A 16 6.543 -6.822 4.384 1.00 0.00 H new ATOM 0 HA ASN A 16 4.133 -5.263 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.476 -7.118 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.467 -7.664 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.782 -10.279 5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.446 -9.643 4.594 1.00 0.00 H new ATOM 225 N ASN A 17 6.879 -5.008 6.304 1.00 0.00 N ATOM 226 CA ASN A 17 7.725 -4.564 7.422 1.00 0.00 C ATOM 227 C ASN A 17 8.842 -3.622 6.940 1.00 0.00 C ATOM 228 O ASN A 17 8.792 -3.157 5.805 1.00 0.00 O ATOM 229 CB ASN A 17 8.253 -5.809 8.176 1.00 0.00 C ATOM 230 CG ASN A 17 7.462 -6.107 9.449 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.571 -5.395 10.448 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.656 -7.153 9.459 1.00 0.00 N ATOM 0 H ASN A 17 7.335 -4.971 5.392 1.00 0.00 H new ATOM 0 HA ASN A 17 7.137 -3.973 8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.209 -6.675 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.301 -5.656 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.119 -7.375 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.570 -7.739 8.628 1.00 0.00 H new ATOM 238 N SER A 18 9.875 -3.365 7.758 1.00 0.00 N ATOM 239 CA SER A 18 11.106 -2.663 7.341 1.00 0.00 C ATOM 240 C SER A 18 11.672 -3.258 6.038 1.00 0.00 C ATOM 241 O SER A 18 12.174 -2.559 5.162 1.00 0.00 O ATOM 242 CB SER A 18 12.127 -2.700 8.484 1.00 0.00 C ATOM 243 OG SER A 18 13.313 -2.047 8.081 1.00 0.00 O ATOM 0 H SER A 18 9.882 -3.641 8.740 1.00 0.00 H new ATOM 0 HA SER A 18 10.870 -1.621 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.715 -2.215 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.344 -3.732 8.758 1.00 0.00 H new ATOM 0 HG SER A 18 13.964 -2.070 8.813 1.00 0.00 H new ATOM 248 N LYS A 19 11.495 -4.579 5.907 1.00 0.00 N ATOM 249 CA LYS A 19 11.638 -5.419 4.713 1.00 0.00 C ATOM 250 C LYS A 19 11.254 -4.687 3.405 1.00 0.00 C ATOM 251 O LYS A 19 11.832 -4.915 2.338 1.00 0.00 O ATOM 252 CB LYS A 19 10.645 -6.579 4.935 1.00 0.00 C ATOM 253 CG LYS A 19 11.057 -7.962 4.407 1.00 0.00 C ATOM 254 CD LYS A 19 11.607 -7.996 2.976 1.00 0.00 C ATOM 255 CE LYS A 19 10.537 -7.666 1.925 1.00 0.00 C ATOM 256 NZ LYS A 19 11.145 -6.992 0.760 1.00 0.00 N ATOM 0 H LYS A 19 11.221 -5.140 6.714 1.00 0.00 H new ATOM 0 HA LYS A 19 12.677 -5.728 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.461 -6.667 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.698 -6.307 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.812 -8.375 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.191 -8.622 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.428 -7.284 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.019 -8.984 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.040 -8.581 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.773 -7.025 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.407 -6.776 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.599 -6.108 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.858 -7.616 0.331 1.00 0.00 H new ATOM 266 N SER A 20 10.179 -3.906 3.517 1.00 0.00 N ATOM 267 CA SER A 20 9.427 -3.097 2.556 1.00 0.00 C ATOM 268 C SER A 20 7.952 -3.193 2.974 1.00 0.00 C ATOM 269 O SER A 20 7.520 -4.253 3.437 1.00 0.00 O ATOM 270 CB SER A 20 9.667 -3.525 1.110 1.00 0.00 C ATOM 271 OG SER A 20 8.621 -3.107 0.256 1.00 0.00 O ATOM 0 H SER A 20 9.748 -3.814 4.437 1.00 0.00 H new ATOM 0 HA SER A 20 9.762 -2.060 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.611 -3.107 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.762 -4.610 1.064 1.00 0.00 H new ATOM 0 HG SER A 20 8.446 -3.803 -0.412 1.00 0.00 H new ATOM 276 N THR A 21 7.210 -2.085 2.909 1.00 0.00 N ATOM 277 CA THR A 21 5.896 -1.951 3.531 1.00 0.00 C ATOM 278 C THR A 21 4.826 -1.606 2.496 1.00 0.00 C ATOM 279 O THR A 21 4.537 -0.430 2.267 1.00 0.00 O ATOM 280 CB THR A 21 6.003 -0.885 4.638 1.00 0.00 C ATOM 281 OG1 THR A 21 7.248 -0.993 5.302 1.00 0.00 O ATOM 282 CG2 THR A 21 4.898 -1.039 5.679 1.00 0.00 C ATOM 0 H THR A 21 7.512 -1.245 2.415 1.00 0.00 H new ATOM 0 HA THR A 21 5.587 -2.899 3.972 1.00 0.00 H new ATOM 0 HB THR A 21 5.907 0.087 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.503 -1.937 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.008 -0.269 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.926 -0.935 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.970 -2.023 6.143 1.00 0.00 H new ATOM 290 N TRP A 22 4.244 -2.634 1.872 1.00 0.00 N ATOM 291 CA TRP A 22 3.248 -2.467 0.822 1.00 0.00 C ATOM 292 C TRP A 22 1.842 -2.400 1.336 1.00 0.00 C ATOM 293 O TRP A 22 1.562 -2.668 2.491 1.00 0.00 O ATOM 294 CB TRP A 22 3.380 -3.544 -0.271 1.00 0.00 C ATOM 295 CG TRP A 22 4.588 -3.524 -1.156 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.714 -2.813 -0.960 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.819 -4.279 -2.380 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.592 -3.026 -2.002 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.098 -3.940 -2.908 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.068 -5.217 -3.106 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.573 -4.496 -4.108 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.599 -5.891 -4.209 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.837 -5.510 -4.735 1.00 0.00 C ATOM 0 H TRP A 22 4.455 -3.609 2.086 1.00 0.00 H new ATOM 0 HA TRP A 22 3.461 -1.496 0.375 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.344 -4.518 0.218 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.500 -3.476 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.902 -2.171 -0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.497 -2.564 -2.091 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.052 -5.423 -2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.497 -4.145 -4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.052 -6.708 -4.656 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.224 -5.994 -5.619 1.00 0.00 H new ATOM 313 N LEU A 23 0.951 -1.995 0.447 1.00 0.00 N ATOM 314 CA LEU A 23 -0.461 -1.997 0.703 1.00 0.00 C ATOM 315 C LEU A 23 -1.237 -1.902 -0.603 1.00 0.00 C ATOM 316 O LEU A 23 -0.620 -1.734 -1.650 1.00 0.00 O ATOM 317 CB LEU A 23 -0.857 -0.919 1.717 1.00 0.00 C ATOM 318 CG LEU A 23 -0.039 0.287 2.190 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.850 1.561 1.870 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.052 0.283 3.724 1.00 0.00 C ATOM 0 H LEU A 23 1.201 -1.653 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.728 -2.947 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.786 -0.497 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.107 -1.465 2.627 1.00 0.00 H new ATOM 0 HG LEU A 23 0.942 0.252 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.292 2.439 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.025 1.621 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.806 1.524 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.635 1.142 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.951 0.338 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.537 -0.635 4.057 1.00 0.00 H new ATOM 331 N ILE A 24 -2.569 -2.010 -0.542 1.00 0.00 N ATOM 332 CA ILE A 24 -3.445 -1.728 -1.676 1.00 0.00 C ATOM 333 C ILE A 24 -4.442 -0.635 -1.282 1.00 0.00 C ATOM 334 O ILE A 24 -5.119 -0.769 -0.267 1.00 0.00 O ATOM 335 CB ILE A 24 -4.174 -2.987 -2.194 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.217 -4.124 -2.569 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.032 -2.637 -3.410 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.887 -5.491 -2.377 1.00 0.00 C ATOM 0 H ILE A 24 -3.068 -2.297 0.300 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.826 -1.380 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.798 -3.339 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.902 -4.012 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.318 -4.066 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.541 -3.533 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.771 -1.887 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.396 -2.242 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.187 -6.281 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.179 -5.610 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.771 -5.555 -3.011 1.00 0.00 H new ATOM 349 N LEU A 25 -4.533 0.441 -2.066 1.00 0.00 N ATOM 350 CA LEU A 25 -5.622 1.406 -1.918 1.00 0.00 C ATOM 351 C LEU A 25 -6.350 1.433 -3.268 1.00 0.00 C ATOM 352 O LEU A 25 -5.797 1.911 -4.259 1.00 0.00 O ATOM 353 CB LEU A 25 -5.174 2.808 -1.441 1.00 0.00 C ATOM 354 CG LEU A 25 -4.046 2.909 -0.403 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.833 4.386 -0.053 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.337 2.158 0.894 1.00 0.00 C ATOM 0 H LEU A 25 -3.868 0.665 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.289 1.091 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.865 3.373 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.048 3.312 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.164 2.454 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.034 4.474 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.559 4.937 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.754 4.799 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.497 2.274 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.238 2.563 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.484 1.100 0.677 1.00 0.00 H new ATOM 367 N HIS A 26 -7.558 0.864 -3.331 1.00 0.00 N ATOM 368 CA HIS A 26 -8.386 0.827 -4.540 1.00 0.00 C ATOM 369 C HIS A 26 -7.717 0.027 -5.683 1.00 0.00 C ATOM 370 O HIS A 26 -7.482 0.560 -6.765 1.00 0.00 O ATOM 371 CB HIS A 26 -8.747 2.265 -4.972 1.00 0.00 C ATOM 372 CG HIS A 26 -9.107 3.215 -3.851 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.375 3.490 -3.389 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.242 4.050 -3.189 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.271 4.462 -2.466 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.990 4.835 -2.309 1.00 0.00 N ATOM 0 H HIS A 26 -7.995 0.409 -2.530 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.309 0.296 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.903 2.683 -5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.586 2.217 -5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.171 4.092 -3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.104 4.885 -1.924 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.635 5.549 -1.674 1.00 0.00 H new ATOM 383 N TYR A 27 -7.342 -1.237 -5.436 1.00 0.00 N ATOM 384 CA TYR A 27 -6.578 -2.109 -6.346 1.00 0.00 C ATOM 385 C TYR A 27 -5.121 -1.702 -6.578 1.00 0.00 C ATOM 386 O TYR A 27 -4.308 -2.549 -6.948 1.00 0.00 O ATOM 387 CB TYR A 27 -7.217 -2.275 -7.727 1.00 0.00 C ATOM 388 CG TYR A 27 -8.715 -2.499 -7.746 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.250 -3.669 -7.173 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.555 -1.627 -8.462 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.589 -4.021 -7.408 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.912 -1.951 -8.643 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.422 -3.153 -8.130 1.00 0.00 C ATOM 394 OH TYR A 27 -12.719 -3.490 -8.361 1.00 0.00 O ATOM 0 H TYR A 27 -7.572 -1.702 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.598 -3.051 -5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.996 -1.385 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.738 -3.116 -8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.629 -4.297 -6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.159 -0.710 -8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.976 -4.957 -7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.562 -1.274 -9.177 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.156 -2.778 -8.874 1.00 0.00 H new ATOM 403 N LYS A 28 -4.785 -0.420 -6.421 1.00 0.00 N ATOM 404 CA LYS A 28 -3.453 0.070 -6.713 1.00 0.00 C ATOM 405 C LYS A 28 -2.519 -0.264 -5.552 1.00 0.00 C ATOM 406 O LYS A 28 -2.945 -0.129 -4.410 1.00 0.00 O ATOM 407 CB LYS A 28 -3.512 1.552 -7.069 1.00 0.00 C ATOM 408 CG LYS A 28 -4.475 1.746 -8.249 1.00 0.00 C ATOM 409 CD LYS A 28 -4.130 3.000 -9.055 1.00 0.00 C ATOM 410 CE LYS A 28 -5.024 3.030 -10.302 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.704 4.179 -11.171 1.00 0.00 N ATOM 0 H LYS A 28 -5.430 0.297 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.037 -0.428 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.848 2.132 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.518 1.916 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.436 0.872 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.497 1.821 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.288 3.894 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.078 2.990 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.900 2.103 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.070 3.082 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.327 4.168 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.847 5.064 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.713 4.116 -11.479 1.00 0.00 H new ATOM 421 N VAL A 29 -1.295 -0.739 -5.822 1.00 0.00 N ATOM 422 CA VAL A 29 -0.347 -1.183 -4.800 1.00 0.00 C ATOM 423 C VAL A 29 0.627 -0.060 -4.460 1.00 0.00 C ATOM 424 O VAL A 29 1.051 0.702 -5.331 1.00 0.00 O ATOM 425 CB VAL A 29 0.430 -2.443 -5.216 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.523 -2.827 -4.204 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.498 -3.645 -5.181 1.00 0.00 C ATOM 0 H VAL A 29 -0.934 -0.825 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.933 -1.443 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 29 0.848 -2.215 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.039 -3.723 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.238 -2.009 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.068 -3.021 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.052 -4.538 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.887 -3.775 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.327 -3.485 -5.871 1.00 0.00 H new ATOM 437 N TYR A 30 0.983 -0.004 -3.180 1.00 0.00 N ATOM 438 CA TYR A 30 1.728 0.999 -2.471 1.00 0.00 C ATOM 439 C TYR A 30 3.016 0.386 -1.902 1.00 0.00 C ATOM 440 O TYR A 30 3.035 -0.820 -1.684 1.00 0.00 O ATOM 441 CB TYR A 30 0.710 1.441 -1.413 1.00 0.00 C ATOM 442 CG TYR A 30 -0.344 2.370 -1.974 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.435 1.833 -2.670 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.186 3.763 -1.895 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.346 2.681 -3.322 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.142 4.609 -2.477 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.220 4.067 -3.191 1.00 0.00 C ATOM 448 OH TYR A 30 -3.171 4.882 -3.719 1.00 0.00 O ATOM 0 H TYR A 30 0.716 -0.760 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 30 2.086 1.842 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.226 0.561 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.233 1.940 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.576 0.763 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.670 4.182 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.141 2.263 -3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.047 5.680 -2.375 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.462 5.527 -3.041 1.00 0.00 H new ATOM 457 N ASP A 31 4.075 1.187 -1.708 1.00 0.00 N ATOM 458 CA ASP A 31 5.273 0.823 -0.917 1.00 0.00 C ATOM 459 C ASP A 31 5.748 2.052 -0.125 1.00 0.00 C ATOM 460 O ASP A 31 6.221 3.021 -0.720 1.00 0.00 O ATOM 461 CB ASP A 31 6.427 0.277 -1.768 1.00 0.00 C ATOM 462 CG ASP A 31 7.550 -0.305 -0.900 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.547 -0.063 0.326 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.352 -1.097 -1.447 1.00 0.00 O ATOM 0 H ASP A 31 4.129 2.126 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 31 4.978 0.016 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.050 -0.494 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.827 1.076 -2.393 1.00 0.00 H new ATOM 468 N LEU A 32 5.619 2.023 1.206 1.00 0.00 N ATOM 469 CA LEU A 32 5.684 3.240 2.018 1.00 0.00 C ATOM 470 C LEU A 32 6.694 3.259 3.172 1.00 0.00 C ATOM 471 O LEU A 32 6.616 4.148 4.017 1.00 0.00 O ATOM 472 CB LEU A 32 4.260 3.498 2.530 1.00 0.00 C ATOM 473 CG LEU A 32 3.198 3.189 1.461 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.813 3.440 2.002 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.269 4.087 0.240 1.00 0.00 C ATOM 0 H LEU A 32 5.469 1.169 1.743 1.00 0.00 H new ATOM 0 HA LEU A 32 6.065 4.031 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.075 2.885 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.170 4.539 2.841 1.00 0.00 H new ATOM 0 HG LEU A 32 3.394 2.151 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.075 3.216 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.639 2.801 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.722 4.485 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.488 3.804 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.127 5.124 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.244 3.978 -0.236 1.00 0.00 H new ATOM 486 N THR A 33 7.655 2.331 3.194 1.00 0.00 N ATOM 487 CA THR A 33 8.640 2.077 4.265 1.00 0.00 C ATOM 488 C THR A 33 9.310 3.286 4.941 1.00 0.00 C ATOM 489 O THR A 33 9.753 3.171 6.079 1.00 0.00 O ATOM 490 CB THR A 33 9.676 1.096 3.721 1.00 0.00 C ATOM 491 OG1 THR A 33 8.927 -0.017 3.322 1.00 0.00 O ATOM 492 CG2 THR A 33 10.691 0.614 4.759 1.00 0.00 C ATOM 0 H THR A 33 7.779 1.689 2.411 1.00 0.00 H new ATOM 0 HA THR A 33 8.062 1.670 5.095 1.00 0.00 H new ATOM 0 HB THR A 33 10.252 1.586 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.407 -0.351 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.390 -0.079 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.239 1.468 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.169 0.108 5.571 1.00 0.00 H new ATOM 500 N LYS A 34 9.386 4.441 4.281 1.00 0.00 N ATOM 501 CA LYS A 34 9.886 5.681 4.885 1.00 0.00 C ATOM 502 C LYS A 34 8.748 6.569 5.378 1.00 0.00 C ATOM 503 O LYS A 34 8.846 7.194 6.427 1.00 0.00 O ATOM 504 CB LYS A 34 10.680 6.457 3.830 1.00 0.00 C ATOM 505 CG LYS A 34 11.742 5.599 3.133 1.00 0.00 C ATOM 506 CD LYS A 34 13.186 6.098 3.317 1.00 0.00 C ATOM 507 CE LYS A 34 13.748 5.763 4.712 1.00 0.00 C ATOM 508 NZ LYS A 34 13.599 6.874 5.672 1.00 0.00 N ATOM 0 H LYS A 34 9.102 4.546 3.307 1.00 0.00 H new ATOM 0 HA LYS A 34 10.510 5.414 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.992 6.853 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.164 7.312 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.672 4.579 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.517 5.560 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.823 5.650 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.217 7.177 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.238 4.882 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.804 5.507 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.802 6.532 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.264 7.636 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.626 7.238 5.633 1.00 0.00 H new ATOM 518 N PHE A 35 7.643 6.622 4.635 1.00 0.00 N ATOM 519 CA PHE A 35 6.504 7.448 5.035 1.00 0.00 C ATOM 520 C PHE A 35 6.069 7.126 6.465 1.00 0.00 C ATOM 521 O PHE A 35 5.723 8.015 7.234 1.00 0.00 O ATOM 522 CB PHE A 35 5.339 7.277 4.071 1.00 0.00 C ATOM 523 CG PHE A 35 4.162 8.163 4.426 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.354 9.539 4.669 1.00 0.00 C ATOM 525 CD2 PHE A 35 2.872 7.614 4.514 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.255 10.373 4.918 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.775 8.447 4.779 1.00 0.00 C ATOM 528 CZ PHE A 35 1.963 9.832 4.943 1.00 0.00 C ATOM 0 H PHE A 35 7.512 6.109 3.763 1.00 0.00 H new ATOM 0 HA PHE A 35 6.823 8.490 5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.671 7.507 3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.020 6.235 4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.352 9.952 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.725 6.553 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.404 11.429 5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.784 8.025 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.110 10.479 5.088 1.00 0.00 H new ATOM 537 N LEU A 36 6.157 5.838 6.796 1.00 0.00 N ATOM 538 CA LEU A 36 6.108 5.271 8.137 1.00 0.00 C ATOM 539 C LEU A 36 6.609 6.250 9.224 1.00 0.00 C ATOM 540 O LEU A 36 5.932 6.479 10.222 1.00 0.00 O ATOM 541 CB LEU A 36 7.034 4.045 8.093 1.00 0.00 C ATOM 542 CG LEU A 36 6.654 2.918 7.125 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.298 1.626 7.644 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.165 2.662 6.886 1.00 0.00 C ATOM 0 H LEU A 36 6.272 5.117 6.084 1.00 0.00 H new ATOM 0 HA LEU A 36 5.078 5.030 8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.037 4.387 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.087 3.625 9.097 1.00 0.00 H new ATOM 0 HG LEU A 36 7.020 3.246 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.047 0.801 6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.381 1.748 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.924 1.410 8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.046 1.839 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.684 2.404 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.703 3.560 6.477 1.00 0.00 H new ATOM 555 N GLU A 37 7.795 6.832 9.006 1.00 0.00 N ATOM 556 CA GLU A 37 8.497 7.754 9.894 1.00 0.00 C ATOM 557 C GLU A 37 7.735 9.082 10.102 1.00 0.00 C ATOM 558 O GLU A 37 7.783 9.669 11.179 1.00 0.00 O ATOM 559 CB GLU A 37 9.873 8.042 9.262 1.00 0.00 C ATOM 560 CG GLU A 37 10.744 6.791 9.012 1.00 0.00 C ATOM 561 CD GLU A 37 11.861 7.034 8.004 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.635 7.747 7.002 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.955 6.441 8.145 1.00 0.00 O ATOM 0 H GLU A 37 8.319 6.657 8.149 1.00 0.00 H new ATOM 0 HA GLU A 37 8.587 7.292 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.721 8.557 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.420 8.725 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.179 6.464 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.110 5.979 8.655 1.00 0.00 H new ATOM 568 N GLU A 38 7.082 9.571 9.042 1.00 0.00 N ATOM 569 CA GLU A 38 6.476 10.899 8.932 1.00 0.00 C ATOM 570 C GLU A 38 4.970 10.886 9.260 1.00 0.00 C ATOM 571 O GLU A 38 4.452 11.765 9.947 1.00 0.00 O ATOM 572 CB GLU A 38 6.721 11.366 7.488 1.00 0.00 C ATOM 573 CG GLU A 38 6.338 12.835 7.234 1.00 0.00 C ATOM 574 CD GLU A 38 7.340 13.820 7.826 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.467 13.865 7.286 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.956 14.517 8.788 1.00 0.00 O ATOM 0 H GLU A 38 6.956 9.020 8.193 1.00 0.00 H new ATOM 0 HA GLU A 38 6.925 11.579 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.775 11.228 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.152 10.730 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.261 13.005 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.353 13.027 7.659 1.00 0.00 H new ATOM 581 N HIS A 39 4.251 9.895 8.724 1.00 0.00 N ATOM 582 CA HIS A 39 2.796 9.783 8.734 1.00 0.00 C ATOM 583 C HIS A 39 2.149 10.078 10.102 1.00 0.00 C ATOM 584 O HIS A 39 2.364 9.319 11.048 1.00 0.00 O ATOM 585 CB HIS A 39 2.446 8.361 8.289 1.00 0.00 C ATOM 586 CG HIS A 39 0.970 8.057 8.219 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.387 6.900 8.672 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.018 8.756 7.521 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.881 6.894 8.227 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.161 8.009 7.520 1.00 0.00 N ATOM 0 H HIS A 39 4.695 9.110 8.247 1.00 0.00 H new ATOM 0 HA HIS A 39 2.397 10.540 8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.884 8.186 7.306 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.914 7.656 8.976 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.833 6.180 9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.157 9.719 7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.587 6.098 8.412 1.00 0.00 H new ATOM 597 N PRO A 40 1.284 11.103 10.220 1.00 0.00 N ATOM 598 CA PRO A 40 0.608 11.426 11.474 1.00 0.00 C ATOM 599 C PRO A 40 -0.335 10.308 11.943 1.00 0.00 C ATOM 600 O PRO A 40 -0.563 10.154 13.138 1.00 0.00 O ATOM 601 CB PRO A 40 -0.109 12.757 11.230 1.00 0.00 C ATOM 602 CG PRO A 40 -0.336 12.758 9.720 1.00 0.00 C ATOM 603 CD PRO A 40 0.896 12.043 9.179 1.00 0.00 C ATOM 0 HA PRO A 40 1.321 11.518 12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.049 12.815 11.779 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.498 13.605 11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.254 12.236 9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.418 13.771 9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.672 11.526 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.699 12.749 8.968 1.00 0.00 H new ATOM 608 N GLY A 41 -0.849 9.490 11.016 1.00 0.00 N ATOM 609 CA GLY A 41 -1.564 8.257 11.352 1.00 0.00 C ATOM 610 C GLY A 41 -0.692 7.235 12.103 1.00 0.00 C ATOM 611 O GLY A 41 -1.225 6.329 12.740 1.00 0.00 O ATOM 0 H GLY A 41 -0.780 9.666 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.432 8.503 11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.939 7.801 10.436 1.00 0.00 H new ATOM 615 N GLY A 42 0.639 7.352 12.010 1.00 0.00 N ATOM 616 CA GLY A 42 1.609 6.482 12.657 1.00 0.00 C ATOM 617 C GLY A 42 2.199 5.489 11.658 1.00 0.00 C ATOM 618 O GLY A 42 1.596 5.209 10.617 1.00 0.00 O ATOM 0 H GLY A 42 1.079 8.088 11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.407 7.082 13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.131 5.942 13.474 1.00 0.00 H new ATOM 622 N GLU A 43 3.364 4.924 11.983 1.00 0.00 N ATOM 623 CA GLU A 43 3.921 3.835 11.206 1.00 0.00 C ATOM 624 C GLU A 43 3.134 2.574 11.461 1.00 0.00 C ATOM 625 O GLU A 43 2.602 1.953 10.543 1.00 0.00 O ATOM 626 CB GLU A 43 5.366 3.495 11.611 1.00 0.00 C ATOM 627 CG GLU A 43 5.840 3.917 13.016 1.00 0.00 C ATOM 628 CD GLU A 43 7.243 3.401 13.331 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.602 2.333 12.788 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.925 4.087 14.121 1.00 0.00 O ATOM 0 H GLU A 43 3.933 5.208 12.780 1.00 0.00 H new ATOM 0 HA GLU A 43 3.886 4.163 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.492 2.416 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.034 3.952 10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.830 5.004 13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.140 3.540 13.762 1.00 0.00 H new ATOM 635 N GLU A 44 3.076 2.178 12.733 1.00 0.00 N ATOM 636 CA GLU A 44 2.669 0.831 13.026 1.00 0.00 C ATOM 637 C GLU A 44 1.216 0.585 12.632 1.00 0.00 C ATOM 638 O GLU A 44 0.859 -0.513 12.232 1.00 0.00 O ATOM 639 CB GLU A 44 2.972 0.403 14.463 1.00 0.00 C ATOM 640 CG GLU A 44 4.475 0.474 14.793 1.00 0.00 C ATOM 641 CD GLU A 44 4.910 -0.628 15.753 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.614 -0.490 16.956 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.489 -1.617 15.245 1.00 0.00 O ATOM 0 H GLU A 44 3.300 2.758 13.542 1.00 0.00 H new ATOM 0 HA GLU A 44 3.285 0.183 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.421 1.042 15.153 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.617 -0.616 14.618 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.051 0.398 13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.703 1.446 15.232 1.00 0.00 H new ATOM 648 N HIS A 45 0.396 1.634 12.674 1.00 0.00 N ATOM 649 CA HIS A 45 -0.966 1.628 12.167 1.00 0.00 C ATOM 650 C HIS A 45 -1.038 1.411 10.649 1.00 0.00 C ATOM 651 O HIS A 45 -1.936 0.735 10.150 1.00 0.00 O ATOM 652 CB HIS A 45 -1.595 2.963 12.571 1.00 0.00 C ATOM 653 CG HIS A 45 -3.047 3.134 12.181 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.817 2.253 11.450 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.839 4.209 12.488 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.042 2.788 11.323 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.103 3.980 11.935 1.00 0.00 N ATOM 0 H HIS A 45 0.672 2.532 13.072 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.513 0.789 12.596 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.510 3.074 13.652 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.017 3.770 12.121 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.511 1.356 11.073 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.541 5.078 13.056 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.865 2.323 10.800 1.00 0.00 H new ATOM 664 N LEU A 46 -0.093 1.986 9.911 1.00 0.00 N ATOM 665 CA LEU A 46 0.024 1.816 8.468 1.00 0.00 C ATOM 666 C LEU A 46 0.638 0.443 8.147 1.00 0.00 C ATOM 667 O LEU A 46 0.370 -0.156 7.108 1.00 0.00 O ATOM 668 CB LEU A 46 0.842 3.015 7.957 1.00 0.00 C ATOM 669 CG LEU A 46 1.033 3.102 6.442 1.00 0.00 C ATOM 670 CD1 LEU A 46 -0.314 3.104 5.718 1.00 0.00 C ATOM 671 CD2 LEU A 46 1.758 4.409 6.102 1.00 0.00 C ATOM 0 H LEU A 46 0.625 2.593 10.307 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.940 1.813 7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.357 3.931 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.826 2.984 8.426 1.00 0.00 H new ATOM 0 HG LEU A 46 1.612 2.236 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.149 3.167 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.853 2.185 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.902 3.962 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.898 4.478 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.163 5.255 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.730 4.425 6.595 1.00 0.00 H new ATOM 682 N ARG A 47 1.431 -0.077 9.083 1.00 0.00 N ATOM 683 CA ARG A 47 2.181 -1.321 8.971 1.00 0.00 C ATOM 684 C ARG A 47 1.316 -2.541 9.273 1.00 0.00 C ATOM 685 O ARG A 47 1.401 -3.568 8.611 1.00 0.00 O ATOM 686 CB ARG A 47 3.329 -1.215 9.964 1.00 0.00 C ATOM 687 CG ARG A 47 4.440 -2.237 9.735 1.00 0.00 C ATOM 688 CD ARG A 47 4.092 -3.611 10.328 1.00 0.00 C ATOM 689 NE ARG A 47 5.236 -4.127 11.093 1.00 0.00 N ATOM 690 CZ ARG A 47 5.647 -3.672 12.280 1.00 0.00 C ATOM 691 NH1 ARG A 47 4.918 -2.808 12.967 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.814 -4.077 12.755 1.00 0.00 N ATOM 0 H ARG A 47 1.573 0.382 9.983 1.00 0.00 H new ATOM 0 HA ARG A 47 2.541 -1.457 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.753 -0.213 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.936 -1.339 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.623 -2.340 8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.365 -1.873 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.218 -3.528 10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.833 -4.307 9.530 1.00 0.00 H new ATOM 0 HE ARG A 47 5.761 -4.899 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.028 -2.480 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.246 -2.470 13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.386 -4.728 12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.142 -3.739 13.660 1.00 0.00 H new ATOM 703 N GLU A 48 0.485 -2.397 10.298 1.00 0.00 N ATOM 704 CA GLU A 48 -0.597 -3.306 10.674 1.00 0.00 C ATOM 705 C GLU A 48 -1.396 -3.752 9.439 1.00 0.00 C ATOM 706 O GLU A 48 -1.602 -4.942 9.210 1.00 0.00 O ATOM 707 CB GLU A 48 -1.461 -2.550 11.690 1.00 0.00 C ATOM 708 CG GLU A 48 -2.685 -3.330 12.205 1.00 0.00 C ATOM 709 CD GLU A 48 -3.914 -3.261 11.304 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.062 -2.242 10.593 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.705 -4.223 11.347 1.00 0.00 O ATOM 0 H GLU A 48 0.550 -1.597 10.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.214 -4.225 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.839 -2.275 12.542 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.805 -1.622 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.404 -4.375 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.953 -2.949 13.190 1.00 0.00 H new ATOM 716 N GLN A 49 -1.772 -2.779 8.605 1.00 0.00 N ATOM 717 CA GLN A 49 -2.395 -3.019 7.310 1.00 0.00 C ATOM 718 C GLN A 49 -1.418 -3.604 6.291 1.00 0.00 C ATOM 719 O GLN A 49 -1.785 -4.423 5.449 1.00 0.00 O ATOM 720 CB GLN A 49 -2.861 -1.679 6.733 1.00 0.00 C ATOM 721 CG GLN A 49 -4.133 -1.099 7.340 1.00 0.00 C ATOM 722 CD GLN A 49 -5.294 -2.082 7.314 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.984 -2.206 6.316 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.541 -2.781 8.408 1.00 0.00 N ATOM 0 H GLN A 49 -1.648 -1.789 8.818 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.211 -3.722 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.058 -0.953 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.016 -1.801 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.937 -0.801 8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.413 -0.197 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.952 -2.663 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.320 -3.439 8.428 1.00 0.00 H new ATOM 731 N ALA A 50 -0.192 -3.082 6.297 1.00 0.00 N ATOM 732 CA ALA A 50 0.764 -3.337 5.236 1.00 0.00 C ATOM 733 C ALA A 50 0.967 -4.816 4.887 1.00 0.00 C ATOM 734 O ALA A 50 1.111 -5.678 5.751 1.00 0.00 O ATOM 735 CB ALA A 50 2.107 -2.686 5.551 1.00 0.00 C ATOM 0 H ALA A 50 0.159 -2.474 7.037 1.00 0.00 H new ATOM 0 HA ALA A 50 0.322 -2.884 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.809 -2.890 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.974 -1.609 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.499 -3.093 6.483 1.00 0.00 H new ATOM 741 N GLY A 51 0.994 -5.086 3.582 1.00 0.00 N ATOM 742 CA GLY A 51 1.047 -6.434 3.016 1.00 0.00 C ATOM 743 C GLY A 51 -0.122 -6.719 2.066 1.00 0.00 C ATOM 744 O GLY A 51 -0.138 -7.742 1.381 1.00 0.00 O ATOM 0 H GLY A 51 0.979 -4.355 2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.987 -6.562 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.040 -7.165 3.825 1.00 0.00 H new ATOM 748 N GLY A 52 -1.099 -5.808 2.012 1.00 0.00 N ATOM 749 CA GLY A 52 -2.153 -5.798 1.006 1.00 0.00 C ATOM 750 C GLY A 52 -3.497 -5.342 1.559 1.00 0.00 C ATOM 751 O GLY A 52 -3.994 -5.896 2.534 1.00 0.00 O ATOM 0 H GLY A 52 -1.176 -5.043 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.861 -5.140 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.259 -6.799 0.588 1.00 0.00 H new ATOM 755 N ASP A 53 -4.067 -4.339 0.893 1.00 0.00 N ATOM 756 CA ASP A 53 -5.315 -3.692 1.221 1.00 0.00 C ATOM 757 C ASP A 53 -5.327 -2.884 2.528 1.00 0.00 C ATOM 758 O ASP A 53 -5.002 -3.353 3.613 1.00 0.00 O ATOM 759 CB ASP A 53 -6.541 -4.560 0.945 1.00 0.00 C ATOM 760 CG ASP A 53 -7.815 -3.716 0.854 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.699 -2.476 0.678 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.897 -4.327 0.928 1.00 0.00 O ATOM 0 H ASP A 53 -3.635 -3.939 0.060 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.404 -2.885 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.398 -5.108 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.650 -5.301 1.737 1.00 0.00 H new ATOM 766 N ALA A 54 -5.675 -1.616 2.352 1.00 0.00 N ATOM 767 CA ALA A 54 -5.939 -0.622 3.379 1.00 0.00 C ATOM 768 C ALA A 54 -6.882 0.420 2.794 1.00 0.00 C ATOM 769 O ALA A 54 -6.852 1.580 3.185 1.00 0.00 O ATOM 770 CB ALA A 54 -4.601 -0.023 3.807 1.00 0.00 C ATOM 0 H ALA A 54 -5.788 -1.228 1.415 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.416 -1.049 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.769 0.728 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.959 -0.811 4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.119 0.442 2.947 1.00 0.00 H new ATOM 776 N THR A 55 -7.726 0.009 1.846 1.00 0.00 N ATOM 777 CA THR A 55 -8.615 0.894 1.122 1.00 0.00 C ATOM 778 C THR A 55 -9.670 1.436 2.081 1.00 0.00 C ATOM 779 O THR A 55 -9.812 2.646 2.256 1.00 0.00 O ATOM 780 CB THR A 55 -9.242 0.087 -0.018 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.253 -0.407 -0.898 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.234 0.952 -0.802 1.00 0.00 C ATOM 0 H THR A 55 -7.806 -0.967 1.561 1.00 0.00 H new ATOM 0 HA THR A 55 -8.083 1.748 0.703 1.00 0.00 H new ATOM 0 HB THR A 55 -9.768 -0.758 0.426 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.862 -1.224 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.671 0.364 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.024 1.296 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.714 1.813 -1.221 1.00 0.00 H new ATOM 790 N GLU A 56 -10.372 0.523 2.757 1.00 0.00 N ATOM 791 CA GLU A 56 -11.335 0.892 3.780 1.00 0.00 C ATOM 792 C GLU A 56 -10.619 1.638 4.910 1.00 0.00 C ATOM 793 O GLU A 56 -11.029 2.724 5.297 1.00 0.00 O ATOM 794 CB GLU A 56 -12.083 -0.357 4.269 1.00 0.00 C ATOM 795 CG GLU A 56 -12.855 -1.022 3.115 1.00 0.00 C ATOM 796 CD GLU A 56 -13.830 -2.097 3.583 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.476 -2.817 4.540 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.914 -2.176 2.966 1.00 0.00 O ATOM 0 H GLU A 56 -10.285 -0.482 2.608 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.085 1.568 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.374 -1.067 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.776 -0.083 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.404 -0.257 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.143 -1.465 2.418 1.00 0.00 H new ATOM 803 N ASN A 57 -9.494 1.097 5.383 1.00 0.00 N ATOM 804 CA ASN A 57 -8.699 1.690 6.457 1.00 0.00 C ATOM 805 C ASN A 57 -8.236 3.127 6.142 1.00 0.00 C ATOM 806 O ASN A 57 -8.215 3.982 7.024 1.00 0.00 O ATOM 807 CB ASN A 57 -7.564 0.718 6.822 1.00 0.00 C ATOM 808 CG ASN A 57 -8.158 -0.538 7.452 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.834 -1.314 6.791 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.941 -0.742 8.744 1.00 0.00 N ATOM 0 H ASN A 57 -9.106 0.224 5.025 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.322 1.823 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.993 0.457 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.871 1.194 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.341 -1.559 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.374 -0.082 9.276 1.00 0.00 H new ATOM 816 N PHE A 58 -7.916 3.412 4.878 1.00 0.00 N ATOM 817 CA PHE A 58 -7.635 4.755 4.375 1.00 0.00 C ATOM 818 C PHE A 58 -8.870 5.669 4.462 1.00 0.00 C ATOM 819 O PHE A 58 -8.792 6.718 5.098 1.00 0.00 O ATOM 820 CB PHE A 58 -7.091 4.632 2.943 1.00 0.00 C ATOM 821 CG PHE A 58 -6.613 5.905 2.269 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.431 6.523 2.714 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.179 6.304 1.043 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.807 7.511 1.932 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.561 7.297 0.264 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.366 7.893 0.700 1.00 0.00 C ATOM 0 H PHE A 58 -7.844 2.694 4.157 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.880 5.232 5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.261 3.925 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.872 4.194 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.000 6.237 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.094 5.844 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.897 7.977 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.006 7.603 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.879 8.641 0.092 1.00 0.00 H new ATOM 835 N GLU A 59 -9.987 5.270 3.834 1.00 0.00 N ATOM 836 CA GLU A 59 -11.219 6.012 3.580 1.00 0.00 C ATOM 837 C GLU A 59 -12.137 6.166 4.806 1.00 0.00 C ATOM 838 O GLU A 59 -12.889 7.134 4.878 1.00 0.00 O ATOM 839 CB GLU A 59 -11.953 5.356 2.405 1.00 0.00 C ATOM 840 CG GLU A 59 -11.145 5.440 1.094 1.00 0.00 C ATOM 841 CD GLU A 59 -10.981 6.849 0.531 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.087 7.601 0.978 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.718 7.187 -0.419 1.00 0.00 O ATOM 0 H GLU A 59 -10.050 4.325 3.456 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.936 7.035 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.152 4.311 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.919 5.841 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.156 5.015 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.633 4.819 0.343 1.00 0.00 H new ATOM 848 N ASP A 60 -12.078 5.228 5.758 1.00 0.00 N ATOM 849 CA ASP A 60 -12.798 5.247 7.029 1.00 0.00 C ATOM 850 C ASP A 60 -12.617 6.604 7.730 1.00 0.00 C ATOM 851 O ASP A 60 -13.557 7.384 7.869 1.00 0.00 O ATOM 852 CB ASP A 60 -12.275 4.065 7.853 1.00 0.00 C ATOM 853 CG ASP A 60 -12.890 4.027 9.240 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.007 3.481 9.353 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.228 4.558 10.156 1.00 0.00 O ATOM 0 H ASP A 60 -11.497 4.396 5.654 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.873 5.136 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.496 3.133 7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.190 4.133 7.938 1.00 0.00 H new ATOM 859 N VAL A 61 -11.373 6.900 8.114 1.00 0.00 N ATOM 860 CA VAL A 61 -10.979 8.243 8.526 1.00 0.00 C ATOM 861 C VAL A 61 -10.959 9.145 7.281 1.00 0.00 C ATOM 862 O VAL A 61 -11.407 10.290 7.317 1.00 0.00 O ATOM 863 CB VAL A 61 -9.634 8.215 9.276 1.00 0.00 C ATOM 864 CG1 VAL A 61 -9.753 7.336 10.529 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.449 7.730 8.426 1.00 0.00 C ATOM 0 H VAL A 61 -10.616 6.217 8.147 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.699 8.654 9.233 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.420 9.250 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.798 7.321 11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.522 7.741 11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.023 6.321 10.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.541 7.740 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.642 6.715 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.323 8.390 7.568 1.00 0.00 H new ATOM 875 N GLY A 62 -10.465 8.592 6.167 1.00 0.00 N ATOM 876 CA GLY A 62 -10.385 9.225 4.862 1.00 0.00 C ATOM 877 C GLY A 62 -9.309 10.304 4.795 1.00 0.00 C ATOM 878 O GLY A 62 -8.816 10.790 5.811 1.00 0.00 O ATOM 0 H GLY A 62 -10.093 7.642 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.180 8.466 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.351 9.666 4.617 1.00 0.00 H new ATOM 882 N HIS A 63 -8.875 10.594 3.569 1.00 0.00 N ATOM 883 CA HIS A 63 -7.633 11.314 3.330 1.00 0.00 C ATOM 884 CB HIS A 63 -6.614 10.233 2.979 1.00 0.00 C ATOM 885 CG HIS A 63 -6.062 9.518 4.180 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.658 8.532 4.937 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.787 9.672 4.632 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.743 8.107 5.826 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.576 8.757 5.661 1.00 0.00 N ATOM 0 H HIS A 63 -9.375 10.336 2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.082 9.505 2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.791 10.686 2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.614 8.189 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.064 10.381 4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.921 7.346 6.572 1.00 0.00 H new ATOM 896 N SER A 64 -7.077 13.526 2.475 1.00 0.00 N ATOM 897 CA SER A 64 -7.161 14.761 1.692 1.00 0.00 C ATOM 898 C SER A 64 -6.605 14.675 0.262 1.00 0.00 C ATOM 899 O SER A 64 -5.967 13.702 -0.143 1.00 0.00 O ATOM 900 CB SER A 64 -6.409 15.853 2.467 1.00 0.00 C ATOM 901 OG SER A 64 -7.103 16.147 3.662 1.00 0.00 O ATOM 0 HA SER A 64 -8.221 14.980 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.396 15.520 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.319 16.751 1.856 1.00 0.00 H new ATOM 0 HG SER A 64 -6.467 16.195 4.406 1.00 0.00 H new ATOM 906 N THR A 65 -6.798 15.758 -0.502 1.00 0.00 N ATOM 907 CA THR A 65 -6.155 15.977 -1.799 1.00 0.00 C ATOM 908 C THR A 65 -4.659 15.707 -1.717 1.00 0.00 C ATOM 909 O THR A 65 -4.162 14.861 -2.450 1.00 0.00 O ATOM 910 CB THR A 65 -6.381 17.419 -2.264 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.064 18.292 -1.197 1.00 0.00 O ATOM 912 CG2 THR A 65 -7.835 17.657 -2.670 1.00 0.00 C ATOM 0 H THR A 65 -7.418 16.520 -0.228 1.00 0.00 H new ATOM 0 HA THR A 65 -6.600 15.286 -2.515 1.00 0.00 H new ATOM 0 HB THR A 65 -5.747 17.603 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.202 19.220 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.958 18.690 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.099 16.986 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.487 17.464 -1.818 1.00 0.00 H new ATOM 920 N ASP A 66 -3.969 16.375 -0.789 1.00 0.00 N ATOM 921 CA ASP A 66 -2.590 16.093 -0.406 1.00 0.00 C ATOM 922 C ASP A 66 -2.261 14.595 -0.510 1.00 0.00 C ATOM 923 O ASP A 66 -1.355 14.199 -1.236 1.00 0.00 O ATOM 924 CB ASP A 66 -2.392 16.608 1.025 1.00 0.00 C ATOM 925 CG ASP A 66 -1.026 16.223 1.570 1.00 0.00 C ATOM 926 OD1 ASP A 66 -0.936 15.100 2.110 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.103 17.046 1.410 1.00 0.00 O ATOM 0 H ASP A 66 -4.372 17.153 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.907 16.598 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.499 17.693 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.171 16.201 1.670 1.00 0.00 H new ATOM 931 N ALA A 67 -3.060 13.752 0.146 1.00 0.00 N ATOM 932 CA ALA A 67 -2.853 12.312 0.162 1.00 0.00 C ATOM 933 C ALA A 67 -3.125 11.655 -1.205 1.00 0.00 C ATOM 934 O ALA A 67 -2.394 10.757 -1.623 1.00 0.00 O ATOM 935 CB ALA A 67 -3.725 11.698 1.251 1.00 0.00 C ATOM 0 H ALA A 67 -3.872 14.056 0.683 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.802 12.123 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.576 10.618 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.450 12.120 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.773 11.916 1.044 1.00 0.00 H new ATOM 941 N ARG A 68 -4.165 12.102 -1.921 1.00 0.00 N ATOM 942 CA ARG A 68 -4.459 11.663 -3.291 1.00 0.00 C ATOM 943 C ARG A 68 -3.331 12.044 -4.263 1.00 0.00 C ATOM 944 O ARG A 68 -3.068 11.348 -5.248 1.00 0.00 O ATOM 945 CB ARG A 68 -5.787 12.270 -3.777 1.00 0.00 C ATOM 946 CG ARG A 68 -7.034 11.413 -3.523 1.00 0.00 C ATOM 947 CD ARG A 68 -7.584 11.439 -2.092 1.00 0.00 C ATOM 948 NE ARG A 68 -8.917 10.802 -2.102 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.431 9.923 -1.235 1.00 0.00 C ATOM 950 NH1 ARG A 68 -8.959 9.783 -0.008 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.450 9.170 -1.621 1.00 0.00 N ATOM 0 H ARG A 68 -4.832 12.785 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.541 10.576 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.925 13.236 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.710 12.461 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.822 11.742 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.801 10.381 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.913 10.908 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.655 12.465 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.528 11.069 -2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.176 10.357 0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.378 9.101 0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.827 9.267 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.857 8.493 -0.976 1.00 0.00 H new ATOM 962 N GLU A 69 -2.646 13.148 -4.002 1.00 0.00 N ATOM 963 CA GLU A 69 -1.473 13.555 -4.754 1.00 0.00 C ATOM 964 C GLU A 69 -0.247 12.728 -4.373 1.00 0.00 C ATOM 965 O GLU A 69 0.383 12.098 -5.223 1.00 0.00 O ATOM 966 CB GLU A 69 -1.331 15.072 -4.603 1.00 0.00 C ATOM 967 CG GLU A 69 -2.514 15.808 -5.269 1.00 0.00 C ATOM 968 CD GLU A 69 -2.962 15.193 -6.591 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.100 15.027 -7.481 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.087 14.646 -6.659 1.00 0.00 O ATOM 0 H GLU A 69 -2.894 13.793 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.581 13.347 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.285 15.333 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.394 15.400 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.358 15.816 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.232 16.847 -5.440 1.00 0.00 H new ATOM 975 N LEU A 70 0.021 12.646 -3.077 1.00 0.00 N ATOM 976 CA LEU A 70 1.088 11.838 -2.507 1.00 0.00 C ATOM 977 C LEU A 70 1.026 10.398 -3.032 1.00 0.00 C ATOM 978 O LEU A 70 2.032 9.854 -3.479 1.00 0.00 O ATOM 979 CB LEU A 70 0.990 11.869 -0.970 1.00 0.00 C ATOM 980 CG LEU A 70 2.303 11.670 -0.194 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.410 10.972 -0.979 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.818 13.014 0.310 1.00 0.00 C ATOM 0 H LEU A 70 -0.514 13.155 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 70 2.049 12.255 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.561 12.827 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.288 11.096 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 70 2.051 11.006 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.296 10.876 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.072 9.981 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.654 11.559 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.748 12.865 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.999 13.675 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.076 13.464 0.970 1.00 0.00 H new ATOM 993 N SER A 71 -0.166 9.783 -3.037 1.00 0.00 N ATOM 994 CA SER A 71 -0.364 8.414 -3.487 1.00 0.00 C ATOM 995 C SER A 71 0.393 8.100 -4.782 1.00 0.00 C ATOM 996 O SER A 71 1.048 7.066 -4.888 1.00 0.00 O ATOM 997 CB SER A 71 -1.862 8.124 -3.665 1.00 0.00 C ATOM 998 OG SER A 71 -2.388 8.765 -4.812 1.00 0.00 O ATOM 0 H SER A 71 -1.025 10.235 -2.723 1.00 0.00 H new ATOM 0 HA SER A 71 0.046 7.764 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.017 7.048 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.405 8.458 -2.781 1.00 0.00 H new ATOM 0 HG SER A 71 -2.505 9.720 -4.628 1.00 0.00 H new ATOM 1003 N LYS A 72 0.377 9.032 -5.737 1.00 0.00 N ATOM 1004 CA LYS A 72 0.985 8.835 -7.052 1.00 0.00 C ATOM 1005 C LYS A 72 2.496 8.580 -6.955 1.00 0.00 C ATOM 1006 O LYS A 72 3.050 7.850 -7.770 1.00 0.00 O ATOM 1007 CB LYS A 72 0.664 10.019 -7.975 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.820 10.391 -7.883 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.231 11.343 -9.017 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.710 11.755 -8.933 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.962 12.565 -7.726 1.00 0.00 N ATOM 0 H LYS A 72 -0.059 9.946 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 72 0.549 7.937 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.277 10.877 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.917 9.763 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.427 9.487 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.020 10.862 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.606 12.235 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.045 10.861 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.984 12.324 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.339 10.865 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.891 13.027 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.951 11.950 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.222 13.290 -7.633 1.00 0.00 H new ATOM 1021 N THR A 73 3.141 9.163 -5.935 1.00 0.00 N ATOM 1022 CA THR A 73 4.570 8.963 -5.632 1.00 0.00 C ATOM 1023 C THR A 73 4.854 7.944 -4.504 1.00 0.00 C ATOM 1024 O THR A 73 5.992 7.753 -4.084 1.00 0.00 O ATOM 1025 CB THR A 73 5.248 10.327 -5.421 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.640 10.221 -5.627 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.999 10.974 -4.060 1.00 0.00 C ATOM 0 H THR A 73 2.679 9.798 -5.285 1.00 0.00 H new ATOM 0 HA THR A 73 5.023 8.485 -6.501 1.00 0.00 H new ATOM 0 HB THR A 73 4.784 10.981 -6.159 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.970 9.396 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.519 11.931 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.930 11.135 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.370 10.318 -3.272 1.00 0.00 H new ATOM 1035 N PHE A 74 3.811 7.263 -4.027 1.00 0.00 N ATOM 1036 CA PHE A 74 3.835 6.195 -3.014 1.00 0.00 C ATOM 1037 C PHE A 74 3.419 4.834 -3.588 1.00 0.00 C ATOM 1038 O PHE A 74 3.748 3.779 -3.043 1.00 0.00 O ATOM 1039 CB PHE A 74 2.894 6.627 -1.894 1.00 0.00 C ATOM 1040 CG PHE A 74 3.492 7.377 -0.720 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.850 7.762 -0.649 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.615 7.735 0.312 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.308 8.513 0.446 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.051 8.558 1.356 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.381 8.991 1.387 1.00 0.00 C ATOM 0 H PHE A 74 2.864 7.451 -4.356 1.00 0.00 H new ATOM 0 HA PHE A 74 4.852 6.058 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.117 7.254 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.402 5.735 -1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.534 7.479 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.597 7.374 0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.361 8.721 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.364 8.858 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.697 9.698 2.140 1.00 0.00 H new ATOM 1054 N ILE A 75 2.672 4.863 -4.686 1.00 0.00 N ATOM 1055 CA ILE A 75 2.309 3.692 -5.452 1.00 0.00 C ATOM 1056 C ILE A 75 3.511 3.091 -6.173 1.00 0.00 C ATOM 1057 O ILE A 75 4.449 3.781 -6.566 1.00 0.00 O ATOM 1058 CB ILE A 75 1.234 4.117 -6.475 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.107 4.088 -5.738 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.175 3.292 -7.775 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.260 4.377 -6.681 1.00 0.00 C ATOM 0 H ILE A 75 2.296 5.729 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 75 1.928 2.924 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 75 1.496 5.112 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.249 3.112 -5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.099 4.824 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.384 3.680 -8.417 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.131 3.362 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.968 2.249 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.199 4.349 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.129 5.364 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.282 3.625 -7.470 1.00 0.00 H new ATOM 1072 N ILE A 76 3.402 1.788 -6.413 1.00 0.00 N ATOM 1073 CA ILE A 76 4.280 1.013 -7.279 1.00 0.00 C ATOM 1074 C ILE A 76 3.527 0.354 -8.454 1.00 0.00 C ATOM 1075 O ILE A 76 4.159 -0.067 -9.426 1.00 0.00 O ATOM 1076 CB ILE A 76 5.026 -0.025 -6.440 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.005 -0.979 -5.810 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.889 0.657 -5.369 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.721 -2.078 -5.033 1.00 0.00 C ATOM 0 H ILE A 76 2.667 1.220 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 76 4.998 1.696 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 76 5.701 -0.596 -7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.342 -0.426 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.381 -1.420 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.410 -0.101 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.618 1.309 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.252 1.248 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.985 -2.749 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.365 -2.641 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.325 -1.631 -4.244 1.00 0.00 H new ATOM 1090 N GLY A 77 2.191 0.231 -8.366 1.00 0.00 N ATOM 1091 CA GLY A 77 1.318 -0.167 -9.471 1.00 0.00 C ATOM 1092 C GLY A 77 -0.032 -0.722 -9.003 1.00 0.00 C ATOM 1093 O GLY A 77 -0.830 0.035 -8.461 1.00 0.00 O ATOM 0 H GLY A 77 1.681 0.411 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.146 0.693 -10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.825 -0.921 -10.073 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.294 -2.023 -9.201 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.594 -2.667 -8.970 1.00 0.00 C ATOM 1099 C GLU A 78 -1.466 -4.085 -8.401 1.00 0.00 C ATOM 1100 O GLU A 78 -0.438 -4.737 -8.556 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.373 -2.736 -10.283 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.751 -1.346 -10.822 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.985 -1.341 -11.717 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.461 -2.447 -12.071 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.474 -0.222 -11.979 1.00 0.00 O ATOM 0 H GLU A 78 0.415 -2.675 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.118 -2.059 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.775 -3.260 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.280 -3.322 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.923 -0.676 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.907 -0.943 -11.382 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.560 -4.592 -7.826 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.656 -5.931 -7.232 1.00 0.00 C ATOM 1112 C LEU A 79 -2.771 -7.082 -8.218 1.00 0.00 C ATOM 1113 O LEU A 79 -2.987 -8.213 -7.811 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.725 -5.916 -6.119 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.987 -6.781 -6.333 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.923 -7.961 -5.372 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.259 -5.998 -6.028 1.00 0.00 C ATOM 0 H LEU A 79 -3.431 -4.066 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.692 -6.157 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.250 -6.237 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.045 -4.884 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.013 -7.102 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.805 -8.587 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.028 -8.548 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.890 -7.594 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.127 -6.637 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.241 -5.665 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.319 -5.131 -6.686 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.589 -6.787 -9.503 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.684 -7.724 -10.604 1.00 0.00 C ATOM 1130 C HIS A 80 -4.133 -8.094 -10.878 1.00 0.00 C ATOM 1131 O HIS A 80 -4.982 -8.128 -9.986 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.748 -8.905 -10.369 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.372 -9.803 -11.512 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.937 -10.991 -11.885 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.277 -9.616 -12.307 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.278 -11.434 -12.967 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.244 -10.631 -13.260 1.00 0.00 N ATOM 0 H HIS A 80 -2.361 -5.842 -9.812 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.340 -7.257 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.823 -8.508 -9.951 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.202 -9.531 -9.601 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.442 -8.816 -12.212 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.544 -12.318 -13.527 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.426 -10.741 -14.021 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.497 -8.267 -12.148 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.826 -8.732 -12.443 1.00 0.00 C ATOM 1146 C PRO A 81 -5.974 -10.227 -12.204 1.00 0.00 C ATOM 1147 O PRO A 81 -7.095 -10.713 -12.298 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.045 -8.406 -13.905 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.680 -8.100 -14.522 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.696 -8.130 -13.359 1.00 0.00 C ATOM 0 HA PRO A 81 -6.560 -8.254 -11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.517 -9.244 -14.417 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.713 -7.551 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.416 -8.838 -15.279 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.680 -7.127 -15.012 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.999 -8.962 -13.461 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.100 -7.218 -13.330 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.888 -10.940 -11.878 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.053 -12.397 -11.650 1.00 0.00 C ATOM 1157 C ASP A 82 -5.271 -12.700 -10.161 1.00 0.00 C ATOM 1158 O ASP A 82 -4.976 -13.788 -9.672 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.934 -13.204 -12.333 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.327 -14.636 -12.679 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.399 -14.805 -13.298 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.503 -15.528 -12.387 1.00 0.00 O ATOM 0 H ASP A 82 -3.943 -10.572 -11.769 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.966 -12.738 -12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.634 -12.689 -13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.063 -13.225 -11.678 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.763 -11.683 -9.447 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.856 -11.640 -8.010 1.00 0.00 C ATOM 1168 C ASP A 83 -7.213 -11.032 -7.583 1.00 0.00 C ATOM 1169 O ASP A 83 -7.927 -11.591 -6.753 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.630 -10.815 -7.618 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.114 -11.234 -6.265 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.919 -11.193 -5.313 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.919 -11.605 -6.214 1.00 0.00 O ATOM 0 H ASP A 83 -6.120 -10.836 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.845 -12.609 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.847 -10.941 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.888 -9.756 -7.602 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.570 -9.902 -8.211 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.888 -9.265 -8.158 1.00 0.00 C ATOM 1179 C ARG A 84 -10.060 -10.213 -8.469 1.00 0.00 C ATOM 1180 O ARG A 84 -11.094 -10.074 -7.778 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.908 -8.120 -9.180 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.046 -6.952 -8.708 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.935 -5.854 -9.769 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.674 -5.949 -10.535 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.050 -4.896 -11.092 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.512 -3.659 -10.976 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.938 -5.021 -11.794 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.940 -10.987 -9.445 1.00 0.00 O ATOM 0 H ARG A 84 -6.914 -9.385 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.030 -8.920 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.544 -8.480 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.933 -7.782 -9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.472 -6.533 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.049 -7.315 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.781 -5.924 -10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.994 -4.878 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.251 -6.870 -10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.368 -3.481 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.012 -2.885 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.522 -5.942 -11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.496 -4.196 -12.200 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.845 8.474 6.553 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.727 11.117 8.631 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.397 10.788 4.339 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.283 5.952 4.257 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.400 6.253 8.712 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.524 10.553 6.537 1.00 0.00 N HETATM 1206 C1A HEM A 201 -3.026 11.412 7.464 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.806 12.757 6.984 1.00 0.00 C HETATM 1208 C3A HEM A 201 -2.085 12.667 5.814 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.948 11.264 5.517 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.695 13.797 4.888 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.522 13.982 7.504 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.960 14.067 7.011 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.073 14.449 5.536 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.819 15.636 5.245 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.449 13.577 4.721 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.931 8.377 4.703 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.399 9.442 4.000 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.872 8.937 2.757 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.111 7.588 2.771 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.813 7.230 3.971 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.326 9.753 1.613 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.554 6.593 1.787 1.00 0.00 C HETATM 1223 CBB HEM A 201 -1.041 6.527 0.533 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.284 6.473 6.480 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.990 5.645 5.420 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.609 4.370 5.683 1.00 0.00 C HETATM 1227 C3C HEM A 201 -4.104 4.447 6.965 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.945 5.788 7.465 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.797 3.239 4.697 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.873 3.357 7.671 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.265 2.203 8.016 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.833 8.647 8.396 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.355 7.602 9.099 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.912 8.145 10.324 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.736 9.516 10.286 1.00 0.00 C HETATM 1236 C4D HEM A 201 -4.056 9.822 9.048 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.604 7.356 11.412 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.078 10.560 11.341 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.105 10.224 12.419 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.373 11.422 13.323 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.188 11.261 14.548 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.752 12.477 12.771 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.863 13.481 4.258 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.395 14.663 5.477 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.545 14.063 4.260 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.441 9.180 1.091 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.109 10.675 1.999 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.133 9.995 0.921 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.905 3.647 3.692 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.692 2.674 4.957 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.930 2.580 4.730 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -6.095 6.487 10.975 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.348 7.985 11.901 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.869 7.026 12.146 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.632 5.804 -0.173 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.844 7.197 0.224 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.828 1.421 8.526 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.210 2.052 7.785 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.500 14.800 7.611 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.448 13.105 7.168 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.981 14.875 7.193 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.515 13.968 8.594 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -5.746 9.387 13.018 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.036 9.904 11.950 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.430 11.450 10.819 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.151 10.832 11.845 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.037 11.942 9.255 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.947 11.493 3.656 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.092 5.162 3.546 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.805 5.534 9.409 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.249 5.922 2.092 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.928 3.503 7.904 1.00 0.00 H new