USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 179:sc= 1.19 USER MOD Set 1.2: A 130 HEC O2D : rot 178:sc= 1.06 USER MOD Set 2.1: A 51 THR OG1 : rot -180:sc= 2.09 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -177:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 136:sc= 0.671 (180deg=-1.74!) USER MOD Set 3.2: A 166 HEC O2A : rot 131:sc= 0.754 USER MOD Set 4.1: A 5 THR OG1 : rot -47:sc= 1.1 USER MOD Set 4.2: A 12 ASN : amide:sc=-0.00683 K(o=1.1,f=-1.1!) USER MOD Set 4.3: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -177:sc= 2.39 (180deg=2.3) USER MOD Single : A 8 ASN : amide:sc= 0.573 K(o=0.57,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.275 (180deg=-1.39) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 1.18 (180deg=1.14) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 174:sc= 0.161 USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.681) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 1.2 (180deg=1.02) USER MOD Single : A 55 SER OG : rot -41:sc= 0.853 USER MOD Single : A 56 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 57 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.062) USER MOD Single : A 60 THR OG1 : rot -58:sc= 0.107 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEC O2A : rot -140:sc= 0.406 USER MOD Single : A 153 HEC O2A : rot 166:sc= 0 USER MOD Single : A 153 HEC O2D : rot 178:sc= -0.238 USER MOD Single : A 166 HEC O2D : rot 179:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.869 -11.416 -4.100 1.00 10.00 N ATOM 2 CA ALA A 1 -8.878 -10.457 -3.585 1.00 10.00 C ATOM 3 C ALA A 1 -8.521 -10.001 -2.162 1.00 10.00 C ATOM 4 O ALA A 1 -8.105 -8.866 -1.956 1.00 10.00 O ATOM 5 CB ALA A 1 -10.287 -11.056 -3.659 1.00 10.00 C ATOM 0 H1 ALA A 1 -8.102 -11.672 -5.081 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.927 -10.977 -4.071 1.00 10.00 H new ATOM 0 H3 ALA A 1 -7.870 -12.272 -3.509 1.00 10.00 H new ATOM 0 HA ALA A 1 -8.870 -9.571 -4.220 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -11.009 -10.335 -3.276 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -10.527 -11.295 -4.695 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -10.328 -11.965 -3.058 1.00 10.00 H new ATOM 13 N ASP A 2 -8.586 -10.942 -1.218 1.00 10.00 N ATOM 14 CA ASP A 2 -7.664 -11.074 -0.095 1.00 10.00 C ATOM 15 C ASP A 2 -6.273 -10.473 -0.369 1.00 10.00 C ATOM 16 O ASP A 2 -5.803 -9.622 0.376 1.00 10.00 O ATOM 17 CB ASP A 2 -7.593 -12.581 0.225 1.00 10.00 C ATOM 18 CG ASP A 2 -7.158 -13.475 -0.941 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.199 -12.988 -2.100 1.00 10.00 O ATOM 20 OD2 ASP A 2 -6.798 -14.629 -0.653 1.00 10.00 O ATOM 0 H ASP A 2 -9.311 -11.659 -1.217 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.030 -10.502 0.758 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -6.900 -12.728 1.053 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.574 -12.910 0.568 1.00 10.00 H new ATOM 25 N VAL A 3 -5.622 -10.889 -1.452 1.00 10.00 N ATOM 26 CA VAL A 3 -4.406 -10.268 -1.965 1.00 10.00 C ATOM 27 C VAL A 3 -4.693 -9.685 -3.353 1.00 10.00 C ATOM 28 O VAL A 3 -5.409 -10.310 -4.142 1.00 10.00 O ATOM 29 CB VAL A 3 -3.272 -11.307 -1.972 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.969 -10.682 -2.479 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.030 -11.849 -0.555 1.00 10.00 C ATOM 0 H VAL A 3 -5.933 -11.685 -2.009 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.082 -9.445 -1.328 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.573 -12.119 -2.634 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.180 -11.434 -2.476 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.114 -10.312 -3.494 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.685 -9.855 -1.828 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.224 -12.583 -0.579 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.753 -11.028 0.106 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.940 -12.321 -0.186 1.00 10.00 H new ATOM 41 N VAL A 4 -4.186 -8.480 -3.645 1.00 10.00 N ATOM 42 CA VAL A 4 -4.320 -7.842 -4.956 1.00 10.00 C ATOM 43 C VAL A 4 -2.940 -7.424 -5.488 1.00 10.00 C ATOM 44 O VAL A 4 -2.274 -6.575 -4.894 1.00 10.00 O ATOM 45 CB VAL A 4 -5.277 -6.638 -4.880 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.609 -6.142 -6.294 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.590 -6.986 -4.169 1.00 10.00 C ATOM 0 H VAL A 4 -3.667 -7.918 -2.970 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.749 -8.562 -5.653 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.767 -5.863 -4.307 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.286 -5.290 -6.231 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.691 -5.839 -6.798 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.085 -6.944 -6.858 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.232 -6.106 -4.140 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.095 -7.786 -4.709 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.377 -7.314 -3.151 1.00 10.00 H new ATOM 57 N THR A 5 -2.509 -8.014 -6.608 1.00 10.00 N ATOM 58 CA THR A 5 -1.269 -7.626 -7.284 1.00 10.00 C ATOM 59 C THR A 5 -1.514 -6.557 -8.348 1.00 10.00 C ATOM 60 O THR A 5 -2.538 -6.581 -9.026 1.00 10.00 O ATOM 61 CB THR A 5 -0.510 -8.858 -7.829 1.00 10.00 C ATOM 62 OG1 THR A 5 0.623 -9.108 -7.023 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.012 -8.732 -9.273 1.00 10.00 C ATOM 0 H THR A 5 -3.010 -8.773 -7.070 1.00 10.00 H new ATOM 0 HA THR A 5 -0.616 -7.168 -6.541 1.00 10.00 H new ATOM 0 HB THR A 5 -1.242 -9.666 -7.807 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.107 -8.270 -6.870 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.506 -9.647 -9.560 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.861 -8.572 -9.938 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.673 -7.888 -9.349 1.00 10.00 H new ATOM 71 N TYR A 6 -0.569 -5.619 -8.474 1.00 10.00 N ATOM 72 CA TYR A 6 -0.628 -4.531 -9.451 1.00 10.00 C ATOM 73 C TYR A 6 0.568 -4.586 -10.395 1.00 10.00 C ATOM 74 O TYR A 6 1.705 -4.473 -9.940 1.00 10.00 O ATOM 75 CB TYR A 6 -0.659 -3.178 -8.751 1.00 10.00 C ATOM 76 CG TYR A 6 -1.995 -2.846 -8.114 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.441 -3.603 -7.016 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.805 -1.815 -8.624 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.681 -3.323 -6.423 1.00 10.00 C ATOM 80 CE2 TYR A 6 -4.037 -1.517 -8.009 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.473 -2.281 -6.916 1.00 10.00 C ATOM 82 OH TYR A 6 -5.663 -2.031 -6.315 1.00 10.00 O ATOM 0 H TYR A 6 0.268 -5.596 -7.892 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.544 -4.654 -10.029 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.113 -3.160 -7.982 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.409 -2.401 -9.473 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.827 -4.402 -6.628 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -2.482 -1.252 -9.487 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.024 -3.912 -5.585 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -4.644 -0.703 -8.378 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.097 -1.269 -6.753 1.00 10.00 H new ATOM 92 N GLU A 7 0.302 -4.778 -11.688 1.00 10.00 N ATOM 93 CA GLU A 7 1.284 -5.122 -12.704 1.00 10.00 C ATOM 94 C GLU A 7 1.682 -3.901 -13.544 1.00 10.00 C ATOM 95 O GLU A 7 0.926 -3.460 -14.405 1.00 10.00 O ATOM 96 CB GLU A 7 0.717 -6.276 -13.543 1.00 10.00 C ATOM 97 CG GLU A 7 0.321 -7.456 -12.647 1.00 10.00 C ATOM 98 CD GLU A 7 -0.105 -8.686 -13.435 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.085 -8.560 -14.198 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.558 -9.729 -13.249 1.00 10.00 O ATOM 0 H GLU A 7 -0.642 -4.694 -12.065 1.00 10.00 H new ATOM 0 HA GLU A 7 2.212 -5.453 -12.237 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.152 -5.931 -14.104 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.459 -6.600 -14.273 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.163 -7.716 -12.006 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.495 -7.150 -11.993 1.00 10.00 H new ATOM 107 N ASN A 8 2.876 -3.349 -13.286 1.00 10.00 N ATOM 108 CA ASN A 8 3.300 -2.072 -13.840 1.00 10.00 C ATOM 109 C ASN A 8 3.992 -2.247 -15.202 1.00 10.00 C ATOM 110 O ASN A 8 3.376 -2.136 -16.258 1.00 10.00 O ATOM 111 CB ASN A 8 4.205 -1.393 -12.794 1.00 10.00 C ATOM 112 CG ASN A 8 3.448 -1.031 -11.537 1.00 10.00 C ATOM 113 OD1 ASN A 8 2.615 -0.148 -11.567 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.755 -1.665 -10.413 1.00 10.00 N ATOM 0 H ASN A 8 3.573 -3.785 -12.682 1.00 10.00 H new ATOM 0 HA ASN A 8 2.438 -1.436 -14.041 1.00 10.00 H new ATOM 0 HB2 ASN A 8 5.029 -2.060 -12.541 1.00 10.00 H new ATOM 0 HB3 ASN A 8 4.644 -0.493 -13.224 1.00 10.00 H new ATOM 0 HD21 ASN A 8 3.287 -1.415 -9.542 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.459 -2.403 -10.420 1.00 10.00 H new ATOM 121 N ALA A 9 5.301 -2.501 -15.153 1.00 10.00 N ATOM 122 CA ALA A 9 6.245 -2.569 -16.261 1.00 10.00 C ATOM 123 C ALA A 9 7.650 -2.831 -15.700 1.00 10.00 C ATOM 124 O ALA A 9 8.387 -3.678 -16.195 1.00 10.00 O ATOM 125 CB ALA A 9 6.231 -1.234 -17.007 1.00 10.00 C ATOM 0 H ALA A 9 5.763 -2.679 -14.261 1.00 10.00 H new ATOM 0 HA ALA A 9 5.968 -3.372 -16.945 1.00 10.00 H new ATOM 0 HB1 ALA A 9 6.935 -1.274 -17.839 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.228 -1.041 -17.389 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.520 -0.434 -16.326 1.00 10.00 H new ATOM 131 N ALA A 10 8.000 -2.094 -14.635 1.00 10.00 N ATOM 132 CA ALA A 10 9.312 -2.149 -13.982 1.00 10.00 C ATOM 133 C ALA A 10 9.360 -3.118 -12.787 1.00 10.00 C ATOM 134 O ALA A 10 10.439 -3.467 -12.315 1.00 10.00 O ATOM 135 CB ALA A 10 9.688 -0.730 -13.543 1.00 10.00 C ATOM 0 H ALA A 10 7.363 -1.429 -14.196 1.00 10.00 H new ATOM 0 HA ALA A 10 10.032 -2.538 -14.702 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.662 -0.747 -13.054 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.731 -0.079 -14.416 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.939 -0.354 -12.846 1.00 10.00 H new ATOM 141 N GLY A 11 8.193 -3.507 -12.268 1.00 10.00 N ATOM 142 CA GLY A 11 8.046 -4.332 -11.075 1.00 10.00 C ATOM 143 C GLY A 11 6.587 -4.333 -10.654 1.00 10.00 C ATOM 144 O GLY A 11 6.071 -3.282 -10.269 1.00 10.00 O ATOM 0 H GLY A 11 7.298 -3.246 -12.683 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.381 -5.350 -11.277 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.670 -3.945 -10.270 1.00 10.00 H new ATOM 148 N ASN A 12 5.891 -5.470 -10.723 1.00 10.00 N ATOM 149 CA ASN A 12 4.569 -5.518 -10.110 1.00 10.00 C ATOM 150 C ASN A 12 4.688 -5.476 -8.584 1.00 10.00 C ATOM 151 O ASN A 12 5.771 -5.661 -8.033 1.00 10.00 O ATOM 152 CB ASN A 12 3.753 -6.722 -10.582 1.00 10.00 C ATOM 153 CG ASN A 12 4.336 -8.041 -10.110 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.454 -8.388 -10.468 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.599 -8.792 -9.309 1.00 10.00 N ATOM 0 H ASN A 12 6.203 -6.330 -11.175 1.00 10.00 H new ATOM 0 HA ASN A 12 4.021 -4.634 -10.435 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.730 -6.629 -10.217 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.704 -6.719 -11.671 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.959 -9.685 -8.973 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.671 -8.478 -9.027 1.00 10.00 H new ATOM 162 N VAL A 13 3.572 -5.212 -7.916 1.00 10.00 N ATOM 163 CA VAL A 13 3.490 -5.094 -6.465 1.00 10.00 C ATOM 164 C VAL A 13 2.309 -5.927 -5.936 1.00 10.00 C ATOM 165 O VAL A 13 1.578 -6.520 -6.731 1.00 10.00 O ATOM 166 CB VAL A 13 3.463 -3.593 -6.125 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.250 -2.887 -6.705 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.520 -3.265 -4.634 1.00 10.00 C ATOM 0 H VAL A 13 2.675 -5.070 -8.381 1.00 10.00 H new ATOM 0 HA VAL A 13 4.356 -5.514 -5.953 1.00 10.00 H new ATOM 0 HB VAL A 13 4.381 -3.228 -6.586 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.280 -1.831 -6.436 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.257 -2.985 -7.791 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.341 -3.338 -6.306 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.496 -2.184 -4.498 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.664 -3.713 -4.130 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.441 -3.664 -4.209 1.00 10.00 H new ATOM 178 N THR A 14 2.141 -5.982 -4.611 1.00 10.00 N ATOM 179 CA THR A 14 1.228 -6.821 -3.850 1.00 10.00 C ATOM 180 C THR A 14 0.633 -5.962 -2.738 1.00 10.00 C ATOM 181 O THR A 14 1.260 -5.705 -1.714 1.00 10.00 O ATOM 182 CB THR A 14 1.953 -8.029 -3.240 1.00 10.00 C ATOM 183 OG1 THR A 14 2.540 -8.802 -4.259 1.00 10.00 O ATOM 184 CG2 THR A 14 0.959 -8.941 -2.520 1.00 10.00 C ATOM 0 H THR A 14 2.693 -5.385 -3.995 1.00 10.00 H new ATOM 0 HA THR A 14 0.451 -7.207 -4.510 1.00 10.00 H new ATOM 0 HB THR A 14 2.703 -7.647 -2.548 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.002 -9.570 -3.862 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.489 -9.792 -2.093 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.466 -8.384 -1.723 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.212 -9.297 -3.230 1.00 10.00 H new ATOM 192 N PHE A 15 -0.580 -5.495 -2.980 1.00 10.00 N ATOM 193 CA PHE A 15 -1.467 -4.905 -1.982 1.00 10.00 C ATOM 194 C PHE A 15 -2.166 -6.046 -1.211 1.00 10.00 C ATOM 195 O PHE A 15 -3.141 -6.620 -1.710 1.00 10.00 O ATOM 196 CB PHE A 15 -2.525 -4.032 -2.681 1.00 10.00 C ATOM 197 CG PHE A 15 -2.118 -2.723 -3.348 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.006 -2.656 -4.213 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.078 -1.691 -3.395 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.887 -1.605 -5.137 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.980 -0.667 -4.352 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.893 -0.636 -5.238 1.00 10.00 C ATOM 0 H PHE A 15 -0.993 -5.516 -3.912 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.893 -4.284 -1.294 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.001 -4.649 -3.443 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.289 -3.794 -1.940 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.242 -3.417 -4.165 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.896 -1.688 -2.689 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.016 -1.544 -5.772 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.742 0.097 -4.405 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.832 0.132 -5.995 1.00 10.00 H new ATOM 212 N ASP A 16 -1.701 -6.398 -0.005 1.00 10.00 N ATOM 213 CA ASP A 16 -2.274 -7.518 0.737 1.00 10.00 C ATOM 214 C ASP A 16 -3.526 -7.053 1.497 1.00 10.00 C ATOM 215 O ASP A 16 -3.462 -6.726 2.685 1.00 10.00 O ATOM 216 CB ASP A 16 -1.247 -8.157 1.685 1.00 10.00 C ATOM 217 CG ASP A 16 0.182 -7.923 1.270 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.596 -6.769 1.512 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.796 -8.865 0.736 1.00 10.00 O ATOM 0 H ASP A 16 -0.934 -5.924 0.472 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.564 -8.290 0.024 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.395 -7.760 2.689 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.431 -9.230 1.737 1.00 10.00 H new ATOM 224 N HIS A 17 -4.673 -7.023 0.815 1.00 10.00 N ATOM 225 CA HIS A 17 -5.942 -6.590 1.397 1.00 10.00 C ATOM 226 C HIS A 17 -6.214 -7.255 2.756 1.00 10.00 C ATOM 227 O HIS A 17 -6.699 -6.611 3.684 1.00 10.00 O ATOM 228 CB HIS A 17 -7.085 -6.832 0.393 1.00 10.00 C ATOM 229 CG HIS A 17 -7.861 -5.580 0.089 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.946 -4.964 -1.136 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.351 -4.710 1.020 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.468 -3.741 -0.932 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.717 -3.524 0.374 1.00 10.00 N ATOM 0 H HIS A 17 -4.746 -7.301 -0.164 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.881 -5.520 1.597 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.672 -7.233 -0.533 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.762 -7.587 0.793 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.666 -5.360 -2.033 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.441 -4.905 2.078 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.663 -3.024 -1.716 1.00 10.00 H new ATOM 241 N LYS A 18 -5.856 -8.537 2.864 1.00 10.00 N ATOM 242 CA LYS A 18 -5.896 -9.344 4.071 1.00 10.00 C ATOM 243 C LYS A 18 -4.659 -9.113 4.957 1.00 10.00 C ATOM 244 O LYS A 18 -4.789 -8.570 6.044 1.00 10.00 O ATOM 245 CB LYS A 18 -6.071 -10.820 3.676 1.00 10.00 C ATOM 246 CG LYS A 18 -6.766 -11.647 4.767 1.00 10.00 C ATOM 247 CD LYS A 18 -8.292 -11.507 4.660 1.00 10.00 C ATOM 248 CE LYS A 18 -8.977 -12.374 5.724 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.448 -12.291 5.628 1.00 10.00 N ATOM 0 H LYS A 18 -5.512 -9.063 2.061 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.749 -9.042 4.679 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.652 -10.879 2.756 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.094 -11.254 3.464 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.484 -12.696 4.672 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -6.433 -11.315 5.750 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.579 -10.464 4.790 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.624 -11.808 3.666 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.662 -13.411 5.607 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.658 -12.054 6.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.878 -12.889 6.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.750 -11.305 5.764 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.754 -12.620 4.690 1.00 10.00 H new ATOM 263 N ALA A 19 -3.453 -9.518 4.538 1.00 10.00 N ATOM 264 CA ALA A 19 -2.282 -9.596 5.428 1.00 10.00 C ATOM 265 C ALA A 19 -1.890 -8.260 6.073 1.00 10.00 C ATOM 266 O ALA A 19 -1.382 -8.223 7.200 1.00 10.00 O ATOM 267 CB ALA A 19 -1.081 -10.153 4.665 1.00 10.00 C ATOM 0 H ALA A 19 -3.260 -9.800 3.577 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.575 -10.261 6.241 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.220 -10.207 5.331 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.316 -11.151 4.294 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.849 -9.499 3.824 1.00 10.00 H new ATOM 273 N HIS A 20 -2.124 -7.147 5.373 1.00 10.00 N ATOM 274 CA HIS A 20 -2.064 -5.852 6.026 1.00 10.00 C ATOM 275 C HIS A 20 -3.201 -5.744 7.067 1.00 10.00 C ATOM 276 O HIS A 20 -2.940 -5.549 8.252 1.00 10.00 O ATOM 277 CB HIS A 20 -2.091 -4.725 4.986 1.00 10.00 C ATOM 278 CG HIS A 20 -0.757 -4.345 4.379 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.044 -5.058 3.442 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.089 -3.158 4.570 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.025 -4.323 3.110 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.058 -3.150 3.766 1.00 10.00 N ATOM 0 H HIS A 20 -2.351 -7.122 4.379 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.122 -5.748 6.565 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.763 -5.019 4.180 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.520 -3.838 5.452 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.285 -5.976 3.069 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.398 -2.362 5.232 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.774 -4.636 2.398 1.00 10.00 H new ATOM 290 N ALA A 21 -4.461 -5.918 6.658 1.00 10.00 N ATOM 291 CA ALA A 21 -5.630 -5.847 7.539 1.00 10.00 C ATOM 292 C ALA A 21 -5.541 -6.699 8.812 1.00 10.00 C ATOM 293 O ALA A 21 -5.904 -6.213 9.878 1.00 10.00 O ATOM 294 CB ALA A 21 -6.893 -6.211 6.771 1.00 10.00 C ATOM 0 H ALA A 21 -4.702 -6.116 5.687 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.662 -4.812 7.878 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.753 -6.154 7.438 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.029 -5.515 5.943 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.802 -7.225 6.381 1.00 10.00 H new ATOM 300 N GLU A 22 -5.045 -7.936 8.733 1.00 10.00 N ATOM 301 CA GLU A 22 -4.844 -8.804 9.893 1.00 10.00 C ATOM 302 C GLU A 22 -4.071 -8.099 11.026 1.00 10.00 C ATOM 303 O GLU A 22 -4.286 -8.369 12.205 1.00 10.00 O ATOM 304 CB GLU A 22 -4.111 -10.081 9.448 1.00 10.00 C ATOM 305 CG GLU A 22 -4.900 -10.958 8.460 1.00 10.00 C ATOM 306 CD GLU A 22 -6.314 -11.296 8.915 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.431 -11.986 9.948 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.249 -10.876 8.199 1.00 10.00 O ATOM 0 H GLU A 22 -4.769 -8.367 7.851 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.823 -9.061 10.298 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.164 -9.799 8.988 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.873 -10.674 10.331 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.952 -10.446 7.499 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.351 -11.886 8.297 1.00 10.00 H new ATOM 315 N LYS A 23 -3.165 -7.188 10.658 1.00 10.00 N ATOM 316 CA LYS A 23 -2.339 -6.390 11.544 1.00 10.00 C ATOM 317 C LYS A 23 -2.924 -4.986 11.762 1.00 10.00 C ATOM 318 O LYS A 23 -2.769 -4.409 12.834 1.00 10.00 O ATOM 319 CB LYS A 23 -0.984 -6.351 10.840 1.00 10.00 C ATOM 320 CG LYS A 23 0.051 -5.434 11.462 1.00 10.00 C ATOM 321 CD LYS A 23 1.465 -5.778 10.957 1.00 10.00 C ATOM 322 CE LYS A 23 1.628 -5.771 9.422 1.00 10.00 C ATOM 323 NZ LYS A 23 1.186 -7.032 8.767 1.00 10.00 N ATOM 0 H LYS A 23 -2.985 -6.982 9.675 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.271 -6.810 12.548 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.579 -7.363 10.814 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.141 -6.044 9.806 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.184 -4.397 11.220 1.00 10.00 H new ATOM 0 HG3 LYS A 23 0.016 -5.524 12.548 1.00 10.00 H new ATOM 0 HD2 LYS A 23 2.171 -5.067 11.386 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.739 -6.764 11.332 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.058 -4.939 9.009 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.675 -5.593 9.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 1.849 -7.278 8.004 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 1.166 -7.799 9.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 0.234 -6.901 8.369 1.00 10.00 H new ATOM 337 N LEU A 24 -3.541 -4.420 10.721 1.00 10.00 N ATOM 338 CA LEU A 24 -3.922 -3.016 10.652 1.00 10.00 C ATOM 339 C LEU A 24 -5.390 -2.712 11.022 1.00 10.00 C ATOM 340 O LEU A 24 -5.682 -1.644 11.549 1.00 10.00 O ATOM 341 CB LEU A 24 -3.627 -2.508 9.241 1.00 10.00 C ATOM 342 CG LEU A 24 -2.148 -2.413 8.836 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.112 -1.643 7.513 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.285 -1.673 9.866 1.00 10.00 C ATOM 0 H LEU A 24 -3.794 -4.944 9.883 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.332 -2.499 11.409 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.133 -3.163 8.531 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.073 -1.519 9.136 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.737 -3.420 8.759 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.080 -1.545 7.177 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.689 -2.183 6.762 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.542 -0.652 7.657 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.252 -1.641 9.519 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.658 -0.656 9.990 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.331 -2.195 10.822 1.00 10.00 H new ATOM 356 N GLY A 25 -6.326 -3.614 10.712 1.00 10.00 N ATOM 357 CA GLY A 25 -7.734 -3.517 11.107 1.00 10.00 C ATOM 358 C GLY A 25 -8.634 -2.668 10.200 1.00 10.00 C ATOM 359 O GLY A 25 -9.554 -2.024 10.694 1.00 10.00 O ATOM 0 H GLY A 25 -6.121 -4.451 10.167 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.147 -4.525 11.154 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.780 -3.107 12.116 1.00 10.00 H new ATOM 363 N CYS A 26 -8.389 -2.685 8.882 1.00 10.00 N ATOM 364 CA CYS A 26 -9.071 -1.925 7.816 1.00 10.00 C ATOM 365 C CYS A 26 -8.942 -0.398 7.961 1.00 10.00 C ATOM 366 O CYS A 26 -8.434 0.261 7.054 1.00 10.00 O ATOM 367 CB CYS A 26 -10.526 -2.301 7.654 1.00 10.00 C ATOM 368 SG CYS A 26 -10.910 -4.075 7.508 1.00 10.00 S ATOM 0 H CYS A 26 -7.651 -3.276 8.500 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.539 -2.217 6.911 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.075 -1.905 8.508 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.909 -1.797 6.767 1.00 10.00 H new ATOM 373 N ASP A 27 -9.415 0.153 9.084 1.00 10.00 N ATOM 374 CA ASP A 27 -9.446 1.562 9.465 1.00 10.00 C ATOM 375 C ASP A 27 -8.156 2.291 9.072 1.00 10.00 C ATOM 376 O ASP A 27 -8.181 3.323 8.404 1.00 10.00 O ATOM 377 CB ASP A 27 -9.702 1.601 10.976 1.00 10.00 C ATOM 378 CG ASP A 27 -9.691 3.020 11.516 1.00 10.00 C ATOM 379 OD1 ASP A 27 -8.580 3.471 11.865 1.00 10.00 O ATOM 380 OD2 ASP A 27 -10.786 3.616 11.564 1.00 10.00 O ATOM 0 H ASP A 27 -9.822 -0.433 9.813 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.237 2.090 8.932 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.664 1.137 11.193 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -8.941 1.012 11.488 1.00 10.00 H new ATOM 385 N ALA A 28 -7.025 1.664 9.404 1.00 10.00 N ATOM 386 CA ALA A 28 -5.676 2.062 9.019 1.00 10.00 C ATOM 387 C ALA A 28 -5.525 2.577 7.574 1.00 10.00 C ATOM 388 O ALA A 28 -4.710 3.461 7.321 1.00 10.00 O ATOM 389 CB ALA A 28 -4.798 0.831 9.197 1.00 10.00 C ATOM 0 H ALA A 28 -7.030 0.821 9.979 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.393 2.906 9.648 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.772 1.073 8.921 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.828 0.510 10.238 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.165 0.027 8.559 1.00 10.00 H new ATOM 395 N CYS A 29 -6.269 1.997 6.623 1.00 10.00 N ATOM 396 CA CYS A 29 -6.242 2.361 5.205 1.00 10.00 C ATOM 397 C CYS A 29 -7.560 3.013 4.746 1.00 10.00 C ATOM 398 O CYS A 29 -7.714 3.339 3.571 1.00 10.00 O ATOM 399 CB CYS A 29 -6.012 1.116 4.388 1.00 10.00 C ATOM 400 SG CYS A 29 -4.350 0.368 4.556 1.00 10.00 S ATOM 0 H CYS A 29 -6.923 1.241 6.827 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.440 3.085 5.062 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.757 0.373 4.671 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.181 1.354 3.338 1.00 10.00 H new ATOM 405 N HIS A 30 -8.541 3.154 5.638 1.00 10.00 N ATOM 406 CA HIS A 30 -9.925 3.416 5.283 1.00 10.00 C ATOM 407 C HIS A 30 -10.676 4.143 6.403 1.00 10.00 C ATOM 408 O HIS A 30 -11.311 3.509 7.243 1.00 10.00 O ATOM 409 CB HIS A 30 -10.595 2.072 4.987 1.00 10.00 C ATOM 410 CG HIS A 30 -10.242 1.430 3.680 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.491 1.944 2.437 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.848 0.138 3.511 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.228 0.980 1.532 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.828 -0.152 2.137 1.00 10.00 N ATOM 0 H HIS A 30 -8.387 3.087 6.644 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.953 4.068 4.410 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.341 1.379 5.789 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.675 2.214 5.018 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.817 2.888 2.232 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.593 -0.551 4.303 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.326 1.101 0.463 1.00 10.00 H new ATOM 422 N GLU A 31 -10.665 5.474 6.364 1.00 10.00 N ATOM 423 CA GLU A 31 -11.200 6.318 7.419 1.00 10.00 C ATOM 424 C GLU A 31 -12.742 6.395 7.471 1.00 10.00 C ATOM 425 O GLU A 31 -13.348 7.458 7.351 1.00 10.00 O ATOM 426 CB GLU A 31 -10.488 7.672 7.327 1.00 10.00 C ATOM 427 CG GLU A 31 -10.711 8.437 6.007 1.00 10.00 C ATOM 428 CD GLU A 31 -9.846 9.690 5.918 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.079 10.603 6.737 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.968 9.704 5.028 1.00 10.00 O ATOM 0 H GLU A 31 -10.276 6.001 5.582 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.987 5.864 8.387 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.823 8.299 8.154 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.418 7.513 7.461 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -10.486 7.781 5.166 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -11.762 8.715 5.923 1.00 10.00 H new ATOM 437 N GLY A 32 -13.385 5.245 7.695 1.00 10.00 N ATOM 438 CA GLY A 32 -14.838 5.098 7.708 1.00 10.00 C ATOM 439 C GLY A 32 -15.395 4.816 6.306 1.00 10.00 C ATOM 440 O GLY A 32 -15.099 5.538 5.360 1.00 10.00 O ATOM 0 H GLY A 32 -12.894 4.370 7.877 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.115 4.285 8.379 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.292 6.007 8.103 1.00 10.00 H new ATOM 444 N THR A 33 -16.194 3.751 6.166 1.00 10.00 N ATOM 445 CA THR A 33 -16.816 3.332 4.904 1.00 10.00 C ATOM 446 C THR A 33 -15.780 3.026 3.808 1.00 10.00 C ATOM 447 O THR A 33 -15.467 3.887 2.987 1.00 10.00 O ATOM 448 CB THR A 33 -17.873 4.343 4.437 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.834 4.461 5.464 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.621 3.851 3.191 1.00 10.00 C ATOM 0 H THR A 33 -16.432 3.141 6.948 1.00 10.00 H new ATOM 0 HA THR A 33 -17.331 2.392 5.102 1.00 10.00 H new ATOM 0 HB THR A 33 -17.370 5.282 4.207 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.523 5.103 5.195 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.360 4.595 2.893 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.912 3.698 2.378 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.124 2.910 3.416 1.00 10.00 H new ATOM 458 N PRO A 34 -15.240 1.797 3.761 1.00 10.00 N ATOM 459 CA PRO A 34 -14.209 1.436 2.800 1.00 10.00 C ATOM 460 C PRO A 34 -14.742 1.481 1.359 1.00 10.00 C ATOM 461 O PRO A 34 -15.788 0.909 1.058 1.00 10.00 O ATOM 462 CB PRO A 34 -13.760 0.032 3.205 1.00 10.00 C ATOM 463 CG PRO A 34 -15.009 -0.549 3.865 1.00 10.00 C ATOM 464 CD PRO A 34 -15.598 0.655 4.588 1.00 10.00 C ATOM 0 HA PRO A 34 -13.375 2.138 2.813 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.448 -0.557 2.342 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.916 0.061 3.894 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.702 -0.958 3.130 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.764 -1.356 4.556 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.679 0.565 4.691 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.189 0.751 5.594 1.00 10.00 H new ATOM 472 N ALA A 35 -14.009 2.162 0.475 1.00 10.00 N ATOM 473 CA ALA A 35 -14.365 2.402 -0.921 1.00 10.00 C ATOM 474 C ALA A 35 -13.084 2.549 -1.757 1.00 10.00 C ATOM 475 O ALA A 35 -12.012 2.788 -1.193 1.00 10.00 O ATOM 476 CB ALA A 35 -15.228 3.663 -1.001 1.00 10.00 C ATOM 0 H ALA A 35 -13.112 2.578 0.726 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.935 1.563 -1.320 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.500 3.852 -2.039 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -16.132 3.523 -0.409 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.667 4.513 -0.612 1.00 10.00 H new ATOM 482 N LYS A 36 -13.162 2.373 -3.080 1.00 10.00 N ATOM 483 CA LYS A 36 -11.977 2.396 -3.939 1.00 10.00 C ATOM 484 C LYS A 36 -11.239 3.745 -4.000 1.00 10.00 C ATOM 485 O LYS A 36 -11.624 4.662 -4.724 1.00 10.00 O ATOM 486 CB LYS A 36 -12.276 1.815 -5.327 1.00 10.00 C ATOM 487 CG LYS A 36 -13.452 2.480 -6.057 1.00 10.00 C ATOM 488 CD LYS A 36 -13.854 1.610 -7.260 1.00 10.00 C ATOM 489 CE LYS A 36 -15.353 1.729 -7.580 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.982 0.392 -7.610 1.00 10.00 N ATOM 0 H LYS A 36 -14.037 2.213 -3.579 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.260 1.737 -3.450 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.383 1.906 -5.945 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.485 0.750 -5.224 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.297 2.598 -5.379 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.171 3.478 -6.392 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.272 1.907 -8.133 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.609 0.568 -7.052 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.843 2.351 -6.831 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.488 2.223 -8.542 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -17.016 0.493 -7.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.728 -0.091 -8.495 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.646 -0.168 -6.801 1.00 10.00 H new ATOM 504 N ILE A 37 -10.135 3.839 -3.256 1.00 10.00 N ATOM 505 CA ILE A 37 -9.176 4.939 -3.316 1.00 10.00 C ATOM 506 C ILE A 37 -8.402 4.876 -4.642 1.00 10.00 C ATOM 507 O ILE A 37 -7.865 3.827 -4.988 1.00 10.00 O ATOM 508 CB ILE A 37 -8.206 4.829 -2.120 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.968 4.849 -0.778 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.174 5.967 -2.161 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.094 4.432 0.408 1.00 10.00 C ATOM 0 H ILE A 37 -9.877 3.127 -2.573 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.700 5.893 -3.264 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.685 3.875 -2.199 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.357 5.852 -0.602 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.827 4.181 -0.843 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.497 5.875 -1.311 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.603 5.907 -3.088 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.689 6.927 -2.113 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.684 4.465 1.324 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.726 3.418 0.250 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.249 5.115 0.495 1.00 10.00 H new ATOM 523 N ALA A 38 -8.301 5.986 -5.381 1.00 10.00 N ATOM 524 CA ALA A 38 -7.518 6.001 -6.616 1.00 10.00 C ATOM 525 C ALA A 38 -6.004 5.999 -6.362 1.00 10.00 C ATOM 526 O ALA A 38 -5.382 7.019 -6.052 1.00 10.00 O ATOM 527 CB ALA A 38 -7.928 7.157 -7.515 1.00 10.00 C ATOM 0 H ALA A 38 -8.746 6.874 -5.148 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.743 5.070 -7.137 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.328 7.141 -8.425 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.982 7.060 -7.774 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.768 8.100 -6.991 1.00 10.00 H new ATOM 533 N ILE A 39 -5.424 4.817 -6.531 1.00 10.00 N ATOM 534 CA ILE A 39 -3.993 4.563 -6.461 1.00 10.00 C ATOM 535 C ILE A 39 -3.366 4.626 -7.856 1.00 10.00 C ATOM 536 O ILE A 39 -4.014 4.320 -8.854 1.00 10.00 O ATOM 537 CB ILE A 39 -3.750 3.213 -5.772 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.404 3.176 -4.380 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.251 2.897 -5.678 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.891 4.231 -3.394 1.00 10.00 C ATOM 0 H ILE A 39 -5.963 3.974 -6.729 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.508 5.337 -5.866 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.217 2.442 -6.386 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.480 3.303 -4.497 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.245 2.188 -3.947 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.112 1.935 -5.185 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.824 2.856 -6.680 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.751 3.675 -5.102 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.412 4.124 -2.443 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.821 4.094 -3.239 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.075 5.227 -3.798 1.00 10.00 H new ATOM 552 N ASP A 40 -2.107 5.062 -7.896 1.00 10.00 N ATOM 553 CA ASP A 40 -1.341 5.313 -9.100 1.00 10.00 C ATOM 554 C ASP A 40 0.122 5.572 -8.708 1.00 10.00 C ATOM 555 O ASP A 40 0.445 5.739 -7.527 1.00 10.00 O ATOM 556 CB ASP A 40 -1.980 6.512 -9.825 1.00 10.00 C ATOM 557 CG ASP A 40 -1.077 7.137 -10.860 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.692 6.394 -11.787 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.611 8.262 -10.589 1.00 10.00 O ATOM 0 H ASP A 40 -1.576 5.256 -7.047 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.350 4.460 -9.778 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.902 6.186 -10.307 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.255 7.268 -9.089 1.00 10.00 H new ATOM 564 N LYS A 41 0.981 5.664 -9.722 1.00 10.00 N ATOM 565 CA LYS A 41 2.375 6.084 -9.623 1.00 10.00 C ATOM 566 C LYS A 41 2.571 7.500 -9.046 1.00 10.00 C ATOM 567 O LYS A 41 3.699 7.873 -8.732 1.00 10.00 O ATOM 568 CB LYS A 41 3.042 5.913 -10.996 1.00 10.00 C ATOM 569 CG LYS A 41 2.587 6.957 -12.032 1.00 10.00 C ATOM 570 CD LYS A 41 2.769 6.457 -13.475 1.00 10.00 C ATOM 571 CE LYS A 41 1.692 5.431 -13.873 1.00 10.00 C ATOM 572 NZ LYS A 41 1.996 4.824 -15.187 1.00 10.00 N ATOM 0 H LYS A 41 0.710 5.437 -10.679 1.00 10.00 H new ATOM 0 HA LYS A 41 2.864 5.439 -8.893 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.123 5.978 -10.877 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.823 4.915 -11.376 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.538 7.202 -11.863 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.155 7.877 -11.893 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.732 7.305 -14.159 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.756 6.006 -13.580 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.630 4.651 -13.114 1.00 10.00 H new ATOM 0 HE3 LYS A 41 0.717 5.918 -13.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 1.838 3.797 -15.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 1.376 5.237 -15.912 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.989 5.010 -15.434 1.00 10.00 H new ATOM 586 N LYS A 42 1.511 8.296 -8.878 1.00 10.00 N ATOM 587 CA LYS A 42 1.546 9.557 -8.159 1.00 10.00 C ATOM 588 C LYS A 42 1.273 9.286 -6.672 1.00 10.00 C ATOM 589 O LYS A 42 2.150 9.471 -5.827 1.00 10.00 O ATOM 590 CB LYS A 42 0.513 10.477 -8.823 1.00 10.00 C ATOM 591 CG LYS A 42 0.654 11.958 -8.464 1.00 10.00 C ATOM 592 CD LYS A 42 -0.384 12.723 -9.300 1.00 10.00 C ATOM 593 CE LYS A 42 -0.165 14.237 -9.224 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.134 14.957 -10.080 1.00 10.00 N ATOM 0 H LYS A 42 0.588 8.070 -9.249 1.00 10.00 H new ATOM 0 HA LYS A 42 2.517 10.051 -8.204 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.593 10.370 -9.905 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.486 10.142 -8.542 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.483 12.115 -7.399 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.661 12.313 -8.681 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.326 12.398 -10.339 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.386 12.482 -8.946 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.268 14.571 -8.192 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.851 14.477 -9.537 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.965 15.981 -10.011 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.018 14.653 -11.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.102 14.744 -9.764 1.00 10.00 H new ATOM 608 N SER A 43 0.069 8.798 -6.350 1.00 10.00 N ATOM 609 CA SER A 43 -0.367 8.538 -4.983 1.00 10.00 C ATOM 610 C SER A 43 0.622 7.647 -4.225 1.00 10.00 C ATOM 611 O SER A 43 1.109 8.013 -3.152 1.00 10.00 O ATOM 612 CB SER A 43 -1.775 7.916 -4.993 1.00 10.00 C ATOM 613 OG SER A 43 -2.626 8.589 -5.907 1.00 10.00 O ATOM 0 H SER A 43 -0.638 8.570 -7.049 1.00 10.00 H new ATOM 0 HA SER A 43 -0.402 9.490 -4.453 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.708 6.862 -5.263 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.203 7.962 -3.992 1.00 10.00 H new ATOM 0 HG SER A 43 -3.482 8.116 -5.966 1.00 10.00 H new ATOM 619 N ALA A 44 0.932 6.487 -4.812 1.00 10.00 N ATOM 620 CA ALA A 44 1.740 5.435 -4.201 1.00 10.00 C ATOM 621 C ALA A 44 3.161 5.873 -3.833 1.00 10.00 C ATOM 622 O ALA A 44 3.803 5.232 -3.004 1.00 10.00 O ATOM 623 CB ALA A 44 1.800 4.241 -5.154 1.00 10.00 C ATOM 0 H ALA A 44 0.617 6.250 -5.753 1.00 10.00 H new ATOM 0 HA ALA A 44 1.255 5.171 -3.261 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.401 3.449 -4.708 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.791 3.871 -5.338 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.250 4.551 -6.097 1.00 10.00 H new ATOM 629 N HIS A 45 3.672 6.940 -4.459 1.00 10.00 N ATOM 630 CA HIS A 45 5.019 7.442 -4.210 1.00 10.00 C ATOM 631 C HIS A 45 5.052 8.747 -3.410 1.00 10.00 C ATOM 632 O HIS A 45 6.149 9.183 -3.053 1.00 10.00 O ATOM 633 CB HIS A 45 5.750 7.637 -5.534 1.00 10.00 C ATOM 634 CG HIS A 45 5.853 6.406 -6.388 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.671 6.412 -7.741 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.212 5.134 -6.020 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.916 5.178 -8.186 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.252 4.347 -7.183 1.00 10.00 N ATOM 0 H HIS A 45 3.156 7.479 -5.155 1.00 10.00 H new ATOM 0 HA HIS A 45 5.518 6.690 -3.599 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.240 8.414 -6.103 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.756 8.002 -5.326 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.397 7.214 -8.309 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.426 4.798 -5.016 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.852 4.883 -9.223 1.00 10.00 H new ATOM 646 N LYS A 46 3.904 9.354 -3.091 1.00 10.00 N ATOM 647 CA LYS A 46 3.866 10.576 -2.292 1.00 10.00 C ATOM 648 C LYS A 46 3.704 10.248 -0.800 1.00 10.00 C ATOM 649 O LYS A 46 4.670 10.303 -0.035 1.00 10.00 O ATOM 650 CB LYS A 46 2.772 11.514 -2.831 1.00 10.00 C ATOM 651 CG LYS A 46 2.918 12.908 -2.207 1.00 10.00 C ATOM 652 CD LYS A 46 1.737 13.812 -2.590 1.00 10.00 C ATOM 653 CE LYS A 46 1.852 15.191 -1.926 1.00 10.00 C ATOM 654 NZ LYS A 46 1.538 15.141 -0.480 1.00 10.00 N ATOM 0 H LYS A 46 2.986 9.014 -3.377 1.00 10.00 H new ATOM 0 HA LYS A 46 4.815 11.105 -2.381 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.844 11.584 -3.916 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.787 11.106 -2.602 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.976 12.820 -1.122 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.851 13.363 -2.540 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.702 13.929 -3.673 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.802 13.339 -2.291 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.862 15.576 -2.064 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.175 15.888 -2.420 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.152 15.807 0.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.543 15.404 -0.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.699 14.178 -0.123 1.00 10.00 H new ATOM 668 N ASP A 47 2.474 9.919 -0.404 1.00 10.00 N ATOM 669 CA ASP A 47 2.049 9.744 0.971 1.00 10.00 C ATOM 670 C ASP A 47 1.266 8.439 1.172 1.00 10.00 C ATOM 671 O ASP A 47 1.533 7.715 2.133 1.00 10.00 O ATOM 672 CB ASP A 47 1.230 10.977 1.358 1.00 10.00 C ATOM 673 CG ASP A 47 2.116 12.140 1.765 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.847 11.976 2.765 1.00 10.00 O ATOM 675 OD2 ASP A 47 2.055 13.173 1.063 1.00 10.00 O ATOM 0 H ASP A 47 1.717 9.762 -1.070 1.00 10.00 H new ATOM 0 HA ASP A 47 2.918 9.656 1.623 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.603 11.275 0.517 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.561 10.725 2.181 1.00 10.00 H new ATOM 680 N ALA A 48 0.325 8.108 0.274 1.00 10.00 N ATOM 681 CA ALA A 48 -0.366 6.822 0.345 1.00 10.00 C ATOM 682 C ALA A 48 0.660 5.679 0.332 1.00 10.00 C ATOM 683 O ALA A 48 1.552 5.663 -0.516 1.00 10.00 O ATOM 684 CB ALA A 48 -1.366 6.694 -0.809 1.00 10.00 C ATOM 0 H ALA A 48 0.032 8.707 -0.498 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.928 6.762 1.277 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.874 5.732 -0.745 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.100 7.497 -0.745 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.836 6.762 -1.759 1.00 10.00 H new ATOM 690 N CYS A 49 0.577 4.773 1.316 1.00 10.00 N ATOM 691 CA CYS A 49 1.490 3.638 1.515 1.00 10.00 C ATOM 692 C CYS A 49 2.863 4.082 2.025 1.00 10.00 C ATOM 693 O CYS A 49 3.288 3.690 3.109 1.00 10.00 O ATOM 694 CB CYS A 49 1.578 2.767 0.283 1.00 10.00 C ATOM 695 SG CYS A 49 -0.123 2.392 -0.263 1.00 10.00 S ATOM 0 H CYS A 49 -0.157 4.812 2.023 1.00 10.00 H new ATOM 0 HA CYS A 49 1.063 3.018 2.303 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.128 3.278 -0.507 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.119 1.847 0.504 1.00 10.00 H new ATOM 700 N LYS A 50 3.533 4.949 1.267 1.00 10.00 N ATOM 701 CA LYS A 50 4.741 5.658 1.664 1.00 10.00 C ATOM 702 C LYS A 50 4.734 6.110 3.129 1.00 10.00 C ATOM 703 O LYS A 50 5.517 5.608 3.924 1.00 10.00 O ATOM 704 CB LYS A 50 4.891 6.876 0.754 1.00 10.00 C ATOM 705 CG LYS A 50 5.354 6.487 -0.652 1.00 10.00 C ATOM 706 CD LYS A 50 6.872 6.612 -0.854 1.00 10.00 C ATOM 707 CE LYS A 50 7.372 8.034 -0.545 1.00 10.00 C ATOM 708 NZ LYS A 50 8.257 8.569 -1.599 1.00 10.00 N ATOM 0 H LYS A 50 3.233 5.184 0.321 1.00 10.00 H new ATOM 0 HA LYS A 50 5.580 4.969 1.565 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.938 7.400 0.690 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.608 7.570 1.193 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.052 5.459 -0.854 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.845 7.118 -1.381 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.385 5.898 -0.210 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.125 6.353 -1.882 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.516 8.697 -0.424 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.907 8.028 0.405 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.951 9.216 -1.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.755 7.784 -2.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.688 9.084 -2.301 1.00 10.00 H new ATOM 722 N THR A 51 3.910 7.095 3.488 1.00 10.00 N ATOM 723 CA THR A 51 4.000 7.766 4.795 1.00 10.00 C ATOM 724 C THR A 51 3.611 6.838 5.949 1.00 10.00 C ATOM 725 O THR A 51 4.250 6.839 7.000 1.00 10.00 O ATOM 726 CB THR A 51 3.252 9.103 4.774 1.00 10.00 C ATOM 727 OG1 THR A 51 4.005 9.956 3.935 1.00 10.00 O ATOM 728 CG2 THR A 51 3.189 9.770 6.149 1.00 10.00 C ATOM 0 H THR A 51 3.165 7.452 2.889 1.00 10.00 H new ATOM 0 HA THR A 51 5.044 8.012 4.987 1.00 10.00 H new ATOM 0 HB THR A 51 2.229 8.929 4.441 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.570 10.833 3.885 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.648 10.713 6.072 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.674 9.112 6.849 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.201 9.961 6.507 1.00 10.00 H new ATOM 736 N CYS A 52 2.629 5.973 5.705 1.00 10.00 N ATOM 737 CA CYS A 52 2.428 4.742 6.460 1.00 10.00 C ATOM 738 C CYS A 52 3.762 4.040 6.755 1.00 10.00 C ATOM 739 O CYS A 52 4.202 3.977 7.899 1.00 10.00 O ATOM 740 CB CYS A 52 1.510 3.852 5.659 1.00 10.00 C ATOM 741 SG CYS A 52 -0.071 3.686 6.500 1.00 10.00 S ATOM 0 H CYS A 52 1.941 6.111 4.965 1.00 10.00 H new ATOM 0 HA CYS A 52 1.979 4.971 7.427 1.00 10.00 H new ATOM 0 HB2 CYS A 52 1.360 4.271 4.664 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.966 2.871 5.526 1.00 10.00 H new ATOM 746 N HIS A 53 4.438 3.568 5.709 1.00 10.00 N ATOM 747 CA HIS A 53 5.725 2.901 5.797 1.00 10.00 C ATOM 748 C HIS A 53 6.805 3.734 6.522 1.00 10.00 C ATOM 749 O HIS A 53 7.548 3.187 7.336 1.00 10.00 O ATOM 750 CB HIS A 53 6.127 2.486 4.379 1.00 10.00 C ATOM 751 CG HIS A 53 5.406 1.276 3.848 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.716 0.655 2.670 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.305 0.645 4.362 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.823 -0.333 2.483 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.932 -0.391 3.485 1.00 10.00 N ATOM 0 H HIS A 53 4.091 3.644 4.753 1.00 10.00 H new ATOM 0 HA HIS A 53 5.633 2.016 6.426 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.947 3.324 3.705 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.199 2.289 4.363 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.485 0.897 2.046 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.806 0.899 5.286 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.823 -0.998 1.632 1.00 10.00 H new ATOM 763 N LYS A 54 6.898 5.043 6.261 1.00 10.00 N ATOM 764 CA LYS A 54 7.736 5.965 7.037 1.00 10.00 C ATOM 765 C LYS A 54 7.479 5.819 8.544 1.00 10.00 C ATOM 766 O LYS A 54 8.409 5.712 9.338 1.00 10.00 O ATOM 767 CB LYS A 54 7.512 7.399 6.601 1.00 10.00 C ATOM 768 CG LYS A 54 7.848 7.569 5.126 1.00 10.00 C ATOM 769 CD LYS A 54 8.037 9.065 4.913 1.00 10.00 C ATOM 770 CE LYS A 54 7.732 9.530 3.476 1.00 10.00 C ATOM 771 NZ LYS A 54 6.540 10.416 3.403 1.00 10.00 N ATOM 0 H LYS A 54 6.391 5.495 5.501 1.00 10.00 H new ATOM 0 HA LYS A 54 8.776 5.703 6.843 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.474 7.681 6.778 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.130 8.068 7.200 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.753 7.020 4.865 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.047 7.182 4.496 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.391 9.606 5.605 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.064 9.331 5.161 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.598 10.059 3.078 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.571 8.658 2.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 6.348 10.659 2.410 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.716 9.924 3.804 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 6.720 11.286 3.944 1.00 10.00 H new ATOM 785 N SER A 55 6.199 5.759 8.927 1.00 10.00 N ATOM 786 CA SER A 55 5.771 5.505 10.301 1.00 10.00 C ATOM 787 C SER A 55 5.800 4.011 10.689 1.00 10.00 C ATOM 788 O SER A 55 5.137 3.617 11.651 1.00 10.00 O ATOM 789 CB SER A 55 4.368 6.098 10.486 1.00 10.00 C ATOM 790 OG SER A 55 3.988 6.044 11.847 1.00 10.00 O ATOM 0 H SER A 55 5.422 5.888 8.279 1.00 10.00 H new ATOM 0 HA SER A 55 6.483 5.986 10.972 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.354 7.131 10.138 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.650 5.547 9.879 1.00 10.00 H new ATOM 0 HG SER A 55 4.260 5.183 12.229 1.00 10.00 H new ATOM 796 N ASN A 56 6.543 3.161 9.966 1.00 10.00 N ATOM 797 CA ASN A 56 6.717 1.742 10.280 1.00 10.00 C ATOM 798 C ASN A 56 8.211 1.374 10.296 1.00 10.00 C ATOM 799 O ASN A 56 8.736 0.991 11.338 1.00 10.00 O ATOM 800 CB ASN A 56 5.942 0.860 9.287 1.00 10.00 C ATOM 801 CG ASN A 56 4.462 1.199 9.112 1.00 10.00 C ATOM 802 OD1 ASN A 56 3.894 0.955 8.054 1.00 10.00 O ATOM 803 ND2 ASN A 56 3.787 1.723 10.127 1.00 10.00 N ATOM 0 H ASN A 56 7.049 3.451 9.129 1.00 10.00 H new ATOM 0 HA ASN A 56 6.310 1.559 11.274 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.428 0.927 8.314 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.022 -0.177 9.612 1.00 10.00 H new ATOM 0 HD21 ASN A 56 2.792 1.924 10.028 1.00 10.00 H new ATOM 0 HD22 ASN A 56 4.263 1.925 11.006 1.00 10.00 H new ATOM 810 N ASN A 57 8.893 1.548 9.154 1.00 10.00 N ATOM 811 CA ASN A 57 10.316 1.287 8.902 1.00 10.00 C ATOM 812 C ASN A 57 10.599 -0.185 8.560 1.00 10.00 C ATOM 813 O ASN A 57 11.254 -0.886 9.326 1.00 10.00 O ATOM 814 CB ASN A 57 11.227 1.811 10.024 1.00 10.00 C ATOM 815 CG ASN A 57 10.957 3.272 10.358 1.00 10.00 C ATOM 816 OD1 ASN A 57 11.524 4.172 9.753 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.089 3.523 11.327 1.00 10.00 N ATOM 0 H ASN A 57 8.427 1.902 8.319 1.00 10.00 H new ATOM 0 HA ASN A 57 10.568 1.863 8.011 1.00 10.00 H new ATOM 0 HB2 ASN A 57 11.083 1.204 10.918 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.269 1.696 9.725 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.878 4.487 11.586 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.631 2.752 11.814 1.00 10.00 H new ATOM 824 N GLY A 58 10.137 -0.628 7.384 1.00 10.00 N ATOM 825 CA GLY A 58 10.336 -1.990 6.881 1.00 10.00 C ATOM 826 C GLY A 58 10.987 -2.022 5.488 1.00 10.00 C ATOM 827 O GLY A 58 12.209 -1.897 5.387 1.00 10.00 O ATOM 0 H GLY A 58 9.605 -0.038 6.745 1.00 10.00 H new ATOM 0 HA2 GLY A 58 10.961 -2.543 7.582 1.00 10.00 H new ATOM 0 HA3 GLY A 58 9.374 -2.501 6.839 1.00 10.00 H new ATOM 831 N PRO A 59 10.211 -2.167 4.397 1.00 10.00 N ATOM 832 CA PRO A 59 10.735 -2.326 3.040 1.00 10.00 C ATOM 833 C PRO A 59 11.261 -0.999 2.465 1.00 10.00 C ATOM 834 O PRO A 59 10.732 -0.460 1.494 1.00 10.00 O ATOM 835 CB PRO A 59 9.563 -2.909 2.238 1.00 10.00 C ATOM 836 CG PRO A 59 8.343 -2.309 2.932 1.00 10.00 C ATOM 837 CD PRO A 59 8.765 -2.339 4.399 1.00 10.00 C ATOM 0 HA PRO A 59 11.603 -2.984 3.005 1.00 10.00 H new ATOM 0 HB2 PRO A 59 9.611 -2.624 1.187 1.00 10.00 H new ATOM 0 HB3 PRO A 59 9.552 -3.998 2.272 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.135 -1.296 2.588 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.442 -2.897 2.754 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.277 -1.544 4.963 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.484 -3.282 4.868 1.00 10.00 H new ATOM 845 N THR A 60 12.335 -0.467 3.055 1.00 10.00 N ATOM 846 CA THR A 60 12.902 0.845 2.723 1.00 10.00 C ATOM 847 C THR A 60 13.756 0.832 1.437 1.00 10.00 C ATOM 848 O THR A 60 14.892 1.301 1.403 1.00 10.00 O ATOM 849 CB THR A 60 13.624 1.411 3.960 1.00 10.00 C ATOM 850 OG1 THR A 60 13.971 2.761 3.748 1.00 10.00 O ATOM 851 CG2 THR A 60 14.866 0.623 4.396 1.00 10.00 C ATOM 0 H THR A 60 12.847 -0.947 3.795 1.00 10.00 H new ATOM 0 HA THR A 60 12.091 1.528 2.472 1.00 10.00 H new ATOM 0 HB THR A 60 12.908 1.318 4.777 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.547 2.831 2.958 1.00 10.00 H new ATOM 0 HG21 THR A 60 15.307 1.096 5.274 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.581 -0.400 4.640 1.00 10.00 H new ATOM 0 HG23 THR A 60 15.594 0.613 3.585 1.00 10.00 H new ATOM 859 N LYS A 61 13.203 0.292 0.344 1.00 10.00 N ATOM 860 CA LYS A 61 13.865 0.219 -0.960 1.00 10.00 C ATOM 861 C LYS A 61 12.848 -0.151 -2.048 1.00 10.00 C ATOM 862 O LYS A 61 11.987 -0.994 -1.805 1.00 10.00 O ATOM 863 CB LYS A 61 15.008 -0.810 -0.902 1.00 10.00 C ATOM 864 CG LYS A 61 16.110 -0.530 -1.934 1.00 10.00 C ATOM 865 CD LYS A 61 17.313 -1.478 -1.777 1.00 10.00 C ATOM 866 CE LYS A 61 18.052 -1.267 -0.442 1.00 10.00 C ATOM 867 NZ LYS A 61 19.343 -1.988 -0.405 1.00 10.00 N ATOM 0 H LYS A 61 12.267 -0.113 0.343 1.00 10.00 H new ATOM 0 HA LYS A 61 14.287 1.193 -1.208 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.443 -0.808 0.097 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.602 -1.807 -1.071 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.699 -0.632 -2.938 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.447 0.501 -1.831 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.970 -2.511 -1.841 1.00 10.00 H new ATOM 0 HD3 LYS A 61 18.007 -1.321 -2.603 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.227 -0.202 -0.288 1.00 10.00 H new ATOM 0 HE3 LYS A 61 17.422 -1.608 0.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.808 -1.820 0.510 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.175 -3.007 -0.526 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.955 -1.644 -1.173 1.00 10.00 H new ATOM 881 N CYS A 62 12.951 0.457 -3.239 1.00 10.00 N ATOM 882 CA CYS A 62 12.003 0.281 -4.353 1.00 10.00 C ATOM 883 C CYS A 62 11.579 -1.182 -4.536 1.00 10.00 C ATOM 884 O CYS A 62 10.391 -1.498 -4.515 1.00 10.00 O ATOM 885 CB CYS A 62 12.582 0.798 -5.650 1.00 10.00 C ATOM 886 SG CYS A 62 13.237 2.492 -5.555 1.00 10.00 S ATOM 0 H CYS A 62 13.712 1.099 -3.461 1.00 10.00 H new ATOM 0 HA CYS A 62 11.118 0.862 -4.092 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.381 0.129 -5.969 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.810 0.762 -6.419 1.00 10.00 H new ATOM 891 N GLY A 63 12.565 -2.074 -4.678 1.00 10.00 N ATOM 892 CA GLY A 63 12.375 -3.516 -4.823 1.00 10.00 C ATOM 893 C GLY A 63 11.416 -4.117 -3.788 1.00 10.00 C ATOM 894 O GLY A 63 10.578 -4.953 -4.116 1.00 10.00 O ATOM 0 H GLY A 63 13.548 -1.801 -4.695 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.994 -3.725 -5.823 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.342 -4.011 -4.740 1.00 10.00 H new ATOM 898 N GLY A 64 11.489 -3.650 -2.537 1.00 10.00 N ATOM 899 CA GLY A 64 10.609 -4.091 -1.458 1.00 10.00 C ATOM 900 C GLY A 64 9.118 -3.854 -1.739 1.00 10.00 C ATOM 901 O GLY A 64 8.269 -4.452 -1.084 1.00 10.00 O ATOM 0 H GLY A 64 12.169 -2.948 -2.246 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.771 -5.154 -1.281 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.884 -3.569 -0.541 1.00 10.00 H new ATOM 905 N CYS A 65 8.793 -2.995 -2.713 1.00 10.00 N ATOM 906 CA CYS A 65 7.431 -2.758 -3.188 1.00 10.00 C ATOM 907 C CYS A 65 7.333 -2.973 -4.715 1.00 10.00 C ATOM 908 O CYS A 65 6.405 -2.478 -5.344 1.00 10.00 O ATOM 909 CB CYS A 65 7.049 -1.357 -2.764 1.00 10.00 C ATOM 910 SG CYS A 65 5.248 -1.124 -2.600 1.00 10.00 S ATOM 0 H CYS A 65 9.490 -2.433 -3.202 1.00 10.00 H new ATOM 0 HA CYS A 65 6.730 -3.469 -2.752 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.527 -1.129 -1.811 1.00 10.00 H new ATOM 0 HB3 CYS A 65 7.436 -0.645 -3.493 1.00 10.00 H new ATOM 915 N HIS A 66 8.279 -3.706 -5.328 1.00 10.00 N ATOM 916 CA HIS A 66 8.367 -3.886 -6.779 1.00 10.00 C ATOM 917 C HIS A 66 9.186 -5.131 -7.178 1.00 10.00 C ATOM 918 O HIS A 66 10.412 -5.117 -7.090 1.00 10.00 O ATOM 919 CB HIS A 66 9.000 -2.633 -7.400 1.00 10.00 C ATOM 920 CG HIS A 66 8.047 -1.499 -7.568 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.971 -1.512 -8.405 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.162 -0.239 -7.059 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.428 -0.288 -8.395 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.118 0.534 -7.591 1.00 10.00 N ATOM 0 H HIS A 66 9.013 -4.196 -4.817 1.00 10.00 H new ATOM 0 HA HIS A 66 7.355 -4.037 -7.154 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.830 -2.308 -6.773 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.417 -2.892 -8.373 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.639 -2.312 -8.943 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.920 0.103 -6.370 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.552 -0.001 -8.959 1.00 10.00 H new ATOM 932 N ILE A 67 8.536 -6.177 -7.695 1.00 10.00 N ATOM 933 CA ILE A 67 9.215 -7.414 -8.094 1.00 10.00 C ATOM 934 C ILE A 67 10.001 -7.236 -9.401 1.00 10.00 C ATOM 935 O ILE A 67 9.435 -7.352 -10.485 1.00 10.00 O ATOM 936 CB ILE A 67 8.215 -8.579 -8.203 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.309 -8.603 -6.964 1.00 10.00 C ATOM 938 CG2 ILE A 67 8.977 -9.904 -8.373 1.00 10.00 C ATOM 939 CD1 ILE A 67 6.446 -9.861 -6.863 1.00 10.00 C ATOM 0 H ILE A 67 7.528 -6.191 -7.849 1.00 10.00 H new ATOM 0 HA ILE A 67 9.936 -7.657 -7.314 1.00 10.00 H new ATOM 0 HB ILE A 67 7.581 -8.442 -9.079 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.928 -8.524 -6.070 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.660 -7.727 -6.981 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.265 -10.726 -8.450 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.582 -9.862 -9.279 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.625 -10.064 -7.511 1.00 10.00 H new ATOM 0 HD11 ILE A 67 5.832 -9.810 -5.964 1.00 10.00 H new ATOM 0 HD12 ILE A 67 5.802 -9.931 -7.739 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.089 -10.740 -6.814 1.00 10.00 H new ATOM 951 N LYS A 68 11.306 -6.984 -9.290 1.00 10.00 N ATOM 952 CA LYS A 68 12.248 -6.961 -10.406 1.00 10.00 C ATOM 953 C LYS A 68 13.376 -7.978 -10.171 1.00 10.00 C ATOM 954 O LYS A 68 13.691 -8.209 -8.980 1.00 10.00 O ATOM 955 CB LYS A 68 12.787 -5.537 -10.611 1.00 10.00 C ATOM 956 CG LYS A 68 13.861 -5.175 -9.579 1.00 10.00 C ATOM 957 CD LYS A 68 14.413 -3.770 -9.839 1.00 10.00 C ATOM 958 CE LYS A 68 15.670 -3.556 -8.987 1.00 10.00 C ATOM 959 NZ LYS A 68 16.317 -2.263 -9.297 1.00 10.00 N ATOM 960 OXT LYS A 68 13.939 -8.456 -11.179 1.00 10.00 O ATOM 0 H LYS A 68 11.748 -6.784 -8.393 1.00 10.00 H new ATOM 0 HA LYS A 68 11.734 -7.253 -11.322 1.00 10.00 H new ATOM 0 HB2 LYS A 68 13.204 -5.448 -11.614 1.00 10.00 H new ATOM 0 HB3 LYS A 68 11.965 -4.825 -10.543 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.439 -5.225 -8.575 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.672 -5.903 -9.620 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.651 -3.650 -10.896 1.00 10.00 H new ATOM 0 HD3 LYS A 68 13.661 -3.020 -9.594 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.405 -3.588 -7.930 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.374 -4.369 -9.164 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.164 -2.148 -8.705 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 16.591 -2.244 -10.300 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 15.652 -1.487 -9.105 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.342 -1.866 1.246 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.340 -0.851 -1.798 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.342 -2.930 1.982 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.125 -3.183 4.049 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.452 -0.325 0.751 1.00 10.00 C HETATM 980 NA HEC A 130 -10.971 -1.917 0.284 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.206 -1.464 -0.965 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.613 -1.611 -1.280 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.175 -2.216 -0.193 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.117 -2.384 0.775 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.643 -2.556 -0.023 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.391 -0.830 -2.322 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.988 -1.556 -3.539 1.00 10.00 C HETATM 988 CGA HEC A 130 -14.802 -0.590 -4.435 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.237 -1.013 -5.534 1.00 10.00 O HETATM 990 O2A HEC A 130 -14.972 0.592 -4.048 1.00 10.00 O HETATM 991 NB HEC A 130 -10.082 -2.814 2.738 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.358 -3.131 2.869 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.584 -3.797 4.134 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.357 -3.896 4.737 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.435 -3.268 3.816 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.909 -4.325 4.654 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.009 -4.628 6.033 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.168 -6.149 5.906 1.00 10.00 C HETATM 999 NC HEC A 130 -7.656 -1.817 2.158 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.338 -2.453 3.276 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.950 -2.242 3.605 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.525 -1.272 2.750 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.594 -1.106 1.800 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.139 -2.914 4.695 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.297 -0.392 2.904 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.994 -1.083 2.502 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.565 -0.802 -0.215 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.358 -0.261 -0.193 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.059 0.390 -1.437 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.172 0.237 -2.205 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.112 -0.516 -1.397 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.722 0.971 -1.863 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.304 0.703 -3.637 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.891 -0.381 -4.640 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.147 0.020 -6.102 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.323 0.309 -6.418 1.00 10.00 O HETATM 1017 O2D HEC A 130 -7.163 0.003 -6.880 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.424 1.750 -1.161 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.969 0.183 -1.872 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.812 1.398 -2.862 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.590 -2.705 5.665 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.124 -3.991 4.526 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.119 -2.530 4.679 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.621 -3.504 4.735 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.297 -5.076 3.965 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.761 -4.775 5.636 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.236 -1.643 -0.076 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.953 -3.237 -0.816 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.796 -3.033 0.945 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.832 -0.602 -4.511 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.438 -1.298 -4.420 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.842 -1.964 3.125 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.049 -1.383 1.456 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.160 -0.395 2.638 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.201 -6.387 5.652 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.507 -6.520 5.122 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.909 -6.622 6.853 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.186 -2.007 -4.124 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.631 -2.368 -3.200 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.336 0.998 -3.828 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.687 1.589 -3.787 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.212 -0.331 -1.807 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.732 -0.049 -2.701 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.554 0.287 0.665 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.695 -3.725 4.891 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.359 -3.219 2.248 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.649 -0.625 -2.818 1.00 10.00 H new HETATM 0 H2D HEC A 130 -7.455 0.251 -7.782 1.00 10.00 H new HETATM 0 H2A HEC A 130 -15.886 0.876 -4.257 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.477 -1.769 3.583 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.628 -3.907 4.902 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.163 -2.903 0.534 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.319 0.402 2.323 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.728 -0.637 6.676 1.00 10.00 C HETATM 1055 NA HEC A 153 3.675 -3.080 2.861 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.472 -3.884 3.579 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.153 -4.817 2.709 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.710 -4.543 1.447 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.792 -3.437 1.582 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.052 -5.296 0.175 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.983 -6.016 3.129 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.084 -7.202 3.527 1.00 10.00 C HETATM 1063 CGA HEC A 153 5.844 -8.449 4.011 1.00 10.00 C HETATM 1064 O1A HEC A 153 5.431 -9.000 5.058 1.00 10.00 O HETATM 1065 O2A HEC A 153 6.809 -8.844 3.317 1.00 10.00 O HETATM 1066 NB HEC A 153 1.896 -1.315 1.796 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.284 -1.896 0.662 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.623 -1.280 -0.473 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.821 -0.292 0.042 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.996 -0.380 1.481 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.769 -1.672 -1.934 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.169 0.622 -0.704 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.169 0.623 -2.237 1.00 10.00 C HETATM 1074 NC HEC A 153 1.272 -0.421 4.343 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.477 0.368 3.640 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.283 1.235 4.510 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.211 1.028 5.767 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.122 -0.089 5.630 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.398 2.193 4.118 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.060 1.949 6.982 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.151 1.676 7.865 1.00 10.00 C HETATM 1082 ND HEC A 153 3.040 -2.191 5.404 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.622 -1.616 6.538 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.276 -2.226 7.677 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.116 -3.164 7.160 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.951 -3.110 5.724 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.093 -1.944 9.159 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.083 -4.016 7.956 1.00 10.00 C HETATM 1089 CBD HEC A 153 6.497 -3.403 8.008 1.00 10.00 C HETATM 1090 CGD HEC A 153 7.601 -4.358 7.523 1.00 10.00 C HETATM 1091 O1D HEC A 153 8.579 -4.547 8.277 1.00 10.00 O HETATM 1092 O2D HEC A 153 7.458 -4.848 6.382 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.339 -0.902 9.364 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.057 -2.134 9.440 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.751 -2.593 9.737 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -1.014 2.928 3.411 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.211 1.635 3.655 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.769 2.703 5.007 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.811 -1.567 -2.236 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.455 -2.708 -2.066 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.146 -1.023 -2.549 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.129 -5.263 0.011 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.731 -6.334 0.269 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.542 -4.834 -0.670 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 6.515 -2.500 7.397 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 6.715 -3.100 9.032 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -2.062 1.790 7.278 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.095 0.660 8.255 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.163 2.383 8.695 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.812 0.929 -2.601 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.395 -0.379 -2.601 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.924 1.320 -2.600 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 4.405 -6.878 4.316 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 4.469 -7.478 2.671 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.705 -4.139 8.971 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.137 -5.011 7.513 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.640 -6.312 2.311 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.623 -5.743 3.968 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.488 -0.276 7.676 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.402 1.106 1.907 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.370 -3.298 -0.461 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.342 -4.610 5.330 1.00 10.00 H new HETATM 0 H2D HEC A 153 8.234 -5.405 6.166 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.337 -9.491 3.829 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.726 2.443 -7.397 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.516 2.521 -9.908 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.220 2.867 -9.495 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.751 2.909 -4.816 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.388 1.243 -5.364 1.00 10.00 C HETATM 1130 NA HEC A 166 6.846 2.599 -9.295 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.827 2.629 -10.171 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.341 2.929 -11.489 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.699 2.883 -11.384 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.979 2.758 -9.974 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.688 3.091 -12.513 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.575 3.461 -12.682 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.147 2.417 -13.720 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.205 3.042 -14.760 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.079 2.532 -14.957 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.493 4.162 -15.248 1.00 10.00 O HETATM 1141 NB HEC A 166 8.586 2.826 -7.192 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.456 2.945 -8.184 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.771 3.254 -7.668 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.645 3.283 -6.304 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.242 3.019 -6.050 1.00 10.00 C HETATM 1146 CMB HEC A 166 12.015 3.543 -8.489 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.754 3.505 -5.272 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.183 4.973 -5.173 1.00 10.00 C HETATM 1149 NC HEC A 166 6.603 2.140 -5.492 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.547 2.382 -4.599 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.132 1.962 -3.279 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.890 1.405 -3.444 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.578 1.572 -4.852 1.00 10.00 C HETATM 1154 CMC HEC A 166 7.972 1.990 -2.010 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.040 0.675 -2.405 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.188 1.064 -0.930 1.00 10.00 C HETATM 1157 ND HEC A 166 4.824 2.039 -7.583 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.044 1.555 -6.616 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.681 1.446 -7.084 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.707 1.785 -8.406 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.075 2.176 -8.686 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.438 1.128 -6.278 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.534 1.709 -9.372 1.00 10.00 C HETATM 1164 CBD HEC A 166 0.608 0.482 -9.289 1.00 10.00 C HETATM 1165 CGD HEC A 166 -0.397 0.452 -10.456 1.00 10.00 C HETATM 1166 O1D HEC A 166 -0.988 1.526 -10.713 1.00 10.00 O HETATM 1167 O2D HEC A 166 -0.572 -0.631 -11.056 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.547 0.148 -5.812 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.302 1.884 -5.505 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.569 1.122 -6.936 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.855 1.365 -2.144 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.280 3.014 -1.800 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.383 1.611 -1.175 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.246 2.682 -9.116 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.840 4.414 -9.120 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.854 3.741 -7.821 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.520 2.341 -13.286 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.552 4.086 -12.937 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.704 2.995 -12.129 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 1.207 -0.428 -9.300 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.068 0.496 -8.343 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.217 0.898 -0.611 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.935 2.117 -0.804 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.518 0.455 -0.324 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.555 5.309 -6.141 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.328 5.583 -4.881 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.971 5.072 -4.427 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.027 2.009 -14.217 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.648 1.585 -13.223 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.923 2.599 -9.226 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 1.932 1.759 -10.385 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.683 3.971 -12.319 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 6.190 4.210 -13.180 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.676 0.703 -4.740 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.344 3.256 -3.970 1.00 10.00 H new HETATM 0 HHB HEC A 166 10.059 2.893 -10.190 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.794 2.717 -10.701 1.00 10.00 H new HETATM 0 H2D HEC A 166 -1.245 -0.511 -11.759 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.423 4.121 -16.225 1.00 10.00 H new