USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 586 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 98 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 98 HEC HAB : A 98 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAC : A 128 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAB : A 128 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 158 HEC HAC : A 158 HEC CAC : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.226) USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.0449 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 1 ALA N :NH3+ 148:sc= -2.58! (180deg=-3.11!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -4.54! C(o=-4.5!,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.64 K(o=-0.64,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.278 (180deg=-1.07) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -40:sc= -25.2! USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.162! USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0742) USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= -0.0237 (180deg=-0.553) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 158:sc= -0.858 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.6!) USER MOD Single : A 60 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -13:sc= -22! USER MOD Single : A 66 HIS : no HE2:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot 147:sc= -1.18 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot 170:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2D : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.509 -6.780 9.653 1.00 10.00 N ATOM 2 CA ALA A 1 3.313 -7.572 10.567 1.00 10.00 C ATOM 3 C ALA A 1 4.733 -7.005 10.614 1.00 10.00 C ATOM 4 O ALA A 1 5.264 -6.736 11.690 1.00 10.00 O ATOM 5 CB ALA A 1 3.286 -9.040 10.133 1.00 10.00 C ATOM 0 H1 ALA A 1 1.798 -7.389 9.199 1.00 10.00 H new ATOM 0 H2 ALA A 1 2.030 -6.022 10.180 1.00 10.00 H new ATOM 0 H3 ALA A 1 3.122 -6.362 8.925 1.00 10.00 H new ATOM 0 HA ALA A 1 2.904 -7.523 11.576 1.00 10.00 H new ATOM 0 HB1 ALA A 1 3.890 -9.634 10.820 1.00 10.00 H new ATOM 0 HB2 ALA A 1 2.259 -9.404 10.145 1.00 10.00 H new ATOM 0 HB3 ALA A 1 3.690 -9.129 9.125 1.00 10.00 H new ATOM 11 N ASP A 2 5.309 -6.841 9.431 1.00 10.00 N ATOM 12 CA ASP A 2 6.658 -6.310 9.323 1.00 10.00 C ATOM 13 C ASP A 2 6.951 -5.971 7.859 1.00 10.00 C ATOM 14 O ASP A 2 7.530 -4.927 7.564 1.00 10.00 O ATOM 15 CB ASP A 2 7.692 -7.336 9.787 1.00 10.00 C ATOM 16 CG ASP A 2 9.076 -6.763 10.100 1.00 10.00 C ATOM 17 OD1 ASP A 2 9.712 -6.265 9.146 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.466 -6.836 11.285 1.00 10.00 O ATOM 0 H ASP A 2 4.866 -7.066 8.540 1.00 10.00 H new ATOM 0 HA ASP A 2 6.724 -5.423 9.953 1.00 10.00 H new ATOM 0 HB2 ASP A 2 7.312 -7.835 10.678 1.00 10.00 H new ATOM 0 HB3 ASP A 2 7.797 -8.098 9.015 1.00 10.00 H new ATOM 23 N VAL A 3 6.539 -6.874 6.982 1.00 10.00 N ATOM 24 CA VAL A 3 6.751 -6.685 5.558 1.00 10.00 C ATOM 25 C VAL A 3 6.045 -7.804 4.788 1.00 10.00 C ATOM 26 O VAL A 3 6.695 -8.713 4.273 1.00 10.00 O ATOM 27 CB VAL A 3 8.249 -6.605 5.257 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.974 -7.858 5.751 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.497 -6.379 3.765 1.00 10.00 C ATOM 0 H VAL A 3 6.059 -7.739 7.231 1.00 10.00 H new ATOM 0 HA VAL A 3 6.317 -5.741 5.230 1.00 10.00 H new ATOM 0 HB VAL A 3 8.655 -5.749 5.796 1.00 10.00 H new ATOM 0 HG11 VAL A 3 10.037 -7.776 5.525 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.839 -7.956 6.828 1.00 10.00 H new ATOM 0 HG13 VAL A 3 8.564 -8.736 5.252 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.570 -6.326 3.578 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.070 -7.205 3.196 1.00 10.00 H new ATOM 0 HG23 VAL A 3 8.028 -5.445 3.456 1.00 10.00 H new ATOM 39 N VAL A 4 4.725 -7.701 4.733 1.00 10.00 N ATOM 40 CA VAL A 4 3.925 -8.694 4.036 1.00 10.00 C ATOM 41 C VAL A 4 4.400 -8.797 2.585 1.00 10.00 C ATOM 42 O VAL A 4 5.006 -7.863 2.058 1.00 10.00 O ATOM 43 CB VAL A 4 2.441 -8.347 4.156 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.621 -9.067 3.083 1.00 10.00 C ATOM 45 CG2 VAL A 4 1.914 -8.668 5.556 1.00 10.00 C ATOM 0 H VAL A 4 4.189 -6.945 5.160 1.00 10.00 H new ATOM 0 HA VAL A 4 4.053 -9.676 4.491 1.00 10.00 H new ATOM 0 HB VAL A 4 2.334 -7.274 3.996 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.569 -8.803 3.191 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.971 -8.767 2.095 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.738 -10.145 3.198 1.00 10.00 H new ATOM 0 HG21 VAL A 4 0.856 -8.412 5.614 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.041 -9.732 5.758 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.469 -8.090 6.295 1.00 10.00 H new ATOM 55 N THR A 5 4.108 -9.938 1.979 1.00 10.00 N ATOM 56 CA THR A 5 4.498 -10.174 0.600 1.00 10.00 C ATOM 57 C THR A 5 3.342 -10.804 -0.180 1.00 10.00 C ATOM 58 O THR A 5 2.806 -11.836 0.222 1.00 10.00 O ATOM 59 CB THR A 5 5.765 -11.032 0.606 1.00 10.00 C ATOM 60 OG1 THR A 5 6.797 -10.124 0.981 1.00 10.00 O ATOM 61 CG2 THR A 5 6.166 -11.494 -0.796 1.00 10.00 C ATOM 0 H THR A 5 3.606 -10.709 2.418 1.00 10.00 H new ATOM 0 HA THR A 5 4.724 -9.239 0.088 1.00 10.00 H new ATOM 0 HB THR A 5 5.611 -11.902 1.244 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.654 -10.598 1.011 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.071 -12.099 -0.735 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.361 -12.088 -1.228 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.353 -10.624 -1.426 1.00 10.00 H new ATOM 69 N TYR A 6 2.991 -10.158 -1.282 1.00 10.00 N ATOM 70 CA TYR A 6 1.909 -10.642 -2.121 1.00 10.00 C ATOM 71 C TYR A 6 2.382 -10.849 -3.561 1.00 10.00 C ATOM 72 O TYR A 6 2.282 -9.943 -4.388 1.00 10.00 O ATOM 73 CB TYR A 6 0.838 -9.548 -2.101 1.00 10.00 C ATOM 74 CG TYR A 6 -0.221 -9.735 -1.014 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.161 -9.897 0.302 1.00 10.00 C ATOM 76 CD2 TYR A 6 -1.560 -9.743 -1.349 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.836 -10.072 1.325 1.00 10.00 C ATOM 78 CE2 TYR A 6 -2.558 -9.919 -0.326 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.147 -10.075 0.961 1.00 10.00 C ATOM 80 OH TYR A 6 -3.089 -10.242 1.928 1.00 10.00 O ATOM 0 H TYR A 6 3.437 -9.303 -1.613 1.00 10.00 H new ATOM 0 HA TYR A 6 1.537 -11.598 -1.754 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.323 -8.582 -1.960 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.345 -9.518 -3.073 1.00 10.00 H new ATOM 0 HD1 TYR A 6 1.209 -9.892 0.564 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.859 -9.617 -2.379 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -0.550 -10.198 2.359 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.609 -9.927 -0.575 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.981 -10.222 1.523 1.00 10.00 H new ATOM 90 N GLU A 7 2.889 -12.046 -3.817 1.00 10.00 N ATOM 91 CA GLU A 7 3.378 -12.383 -5.144 1.00 10.00 C ATOM 92 C GLU A 7 2.209 -12.724 -6.070 1.00 10.00 C ATOM 93 O GLU A 7 1.304 -13.465 -5.687 1.00 10.00 O ATOM 94 CB GLU A 7 4.382 -13.536 -5.080 1.00 10.00 C ATOM 95 CG GLU A 7 3.731 -14.800 -4.516 1.00 10.00 C ATOM 96 CD GLU A 7 4.661 -16.006 -4.658 1.00 10.00 C ATOM 97 OE1 GLU A 7 5.264 -16.133 -5.745 1.00 10.00 O ATOM 98 OE2 GLU A 7 4.746 -16.776 -3.676 1.00 10.00 O ATOM 0 H GLU A 7 2.972 -12.794 -3.129 1.00 10.00 H new ATOM 0 HA GLU A 7 3.896 -11.515 -5.551 1.00 10.00 H new ATOM 0 HB2 GLU A 7 4.773 -13.738 -6.077 1.00 10.00 H new ATOM 0 HB3 GLU A 7 5.230 -13.250 -4.457 1.00 10.00 H new ATOM 0 HG2 GLU A 7 3.484 -14.648 -3.465 1.00 10.00 H new ATOM 0 HG3 GLU A 7 2.794 -14.995 -5.038 1.00 10.00 H new ATOM 105 N ASN A 8 2.266 -12.168 -7.271 1.00 10.00 N ATOM 106 CA ASN A 8 1.223 -12.404 -8.255 1.00 10.00 C ATOM 107 C ASN A 8 1.866 -12.708 -9.610 1.00 10.00 C ATOM 108 O ASN A 8 3.089 -12.791 -9.716 1.00 10.00 O ATOM 109 CB ASN A 8 0.333 -11.169 -8.420 1.00 10.00 C ATOM 110 CG ASN A 8 1.173 -9.892 -8.481 1.00 10.00 C ATOM 111 OD1 ASN A 8 1.747 -9.543 -9.500 1.00 10.00 O ATOM 112 ND2 ASN A 8 1.212 -9.216 -7.337 1.00 10.00 N ATOM 0 H ASN A 8 3.018 -11.555 -7.585 1.00 10.00 H new ATOM 0 HA ASN A 8 0.617 -13.242 -7.911 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -0.260 -11.262 -9.330 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.368 -11.108 -7.588 1.00 10.00 H new ATOM 0 HD21 ASN A 8 1.746 -8.349 -7.275 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.708 -9.564 -6.521 1.00 10.00 H new ATOM 119 N LYS A 9 1.012 -12.867 -10.611 1.00 10.00 N ATOM 120 CA LYS A 9 1.482 -13.160 -11.955 1.00 10.00 C ATOM 121 C LYS A 9 2.148 -11.914 -12.541 1.00 10.00 C ATOM 122 O LYS A 9 3.340 -11.927 -12.843 1.00 10.00 O ATOM 123 CB LYS A 9 0.340 -13.709 -12.812 1.00 10.00 C ATOM 124 CG LYS A 9 0.356 -15.239 -12.834 1.00 10.00 C ATOM 125 CD LYS A 9 -1.064 -15.803 -12.772 1.00 10.00 C ATOM 126 CE LYS A 9 -1.420 -16.539 -14.065 1.00 10.00 C ATOM 127 NZ LYS A 9 -2.385 -15.748 -14.862 1.00 10.00 N ATOM 0 H LYS A 9 -0.001 -12.799 -10.519 1.00 10.00 H new ATOM 0 HA LYS A 9 2.239 -13.944 -11.933 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -0.615 -13.358 -12.420 1.00 10.00 H new ATOM 0 HB3 LYS A 9 0.428 -13.326 -13.829 1.00 10.00 H new ATOM 0 HG2 LYS A 9 0.850 -15.588 -13.741 1.00 10.00 H new ATOM 0 HG3 LYS A 9 0.937 -15.612 -11.990 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -1.152 -16.485 -11.926 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -1.774 -14.993 -12.604 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -0.517 -16.718 -14.649 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -1.846 -17.514 -13.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -2.616 -16.261 -15.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.253 -15.599 -14.308 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.965 -14.827 -15.102 1.00 10.00 H new ATOM 141 N LYS A 10 1.348 -10.867 -12.686 1.00 10.00 N ATOM 142 CA LYS A 10 1.846 -9.616 -13.230 1.00 10.00 C ATOM 143 C LYS A 10 3.162 -9.250 -12.539 1.00 10.00 C ATOM 144 O LYS A 10 4.239 -9.585 -13.029 1.00 10.00 O ATOM 145 CB LYS A 10 0.776 -8.526 -13.134 1.00 10.00 C ATOM 146 CG LYS A 10 -0.390 -8.817 -14.080 1.00 10.00 C ATOM 147 CD LYS A 10 -0.195 -8.113 -15.424 1.00 10.00 C ATOM 148 CE LYS A 10 -1.231 -7.004 -15.617 1.00 10.00 C ATOM 149 NZ LYS A 10 -2.003 -7.227 -16.861 1.00 10.00 N ATOM 0 H LYS A 10 0.359 -10.860 -12.436 1.00 10.00 H new ATOM 0 HA LYS A 10 2.064 -9.723 -14.293 1.00 10.00 H new ATOM 0 HB2 LYS A 10 0.410 -8.460 -12.109 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.215 -7.559 -13.379 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -0.475 -9.892 -14.238 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -1.324 -8.487 -13.625 1.00 10.00 H new ATOM 0 HD2 LYS A 10 0.809 -7.691 -15.475 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -0.278 -8.838 -16.234 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -1.907 -6.977 -14.762 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -0.732 -6.036 -15.660 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -2.702 -6.466 -16.977 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -1.356 -7.230 -17.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -2.494 -8.142 -16.805 1.00 10.00 H new ATOM 163 N GLY A 11 3.029 -8.567 -11.412 1.00 10.00 N ATOM 164 CA GLY A 11 4.194 -8.152 -10.648 1.00 10.00 C ATOM 165 C GLY A 11 3.878 -8.100 -9.152 1.00 10.00 C ATOM 166 O GLY A 11 2.961 -7.398 -8.731 1.00 10.00 O ATOM 0 H GLY A 11 2.134 -8.291 -11.009 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.016 -8.845 -10.826 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.526 -7.171 -10.988 1.00 10.00 H new ATOM 170 N ASN A 12 4.657 -8.853 -8.388 1.00 10.00 N ATOM 171 CA ASN A 12 4.473 -8.901 -6.949 1.00 10.00 C ATOM 172 C ASN A 12 4.286 -7.480 -6.414 1.00 10.00 C ATOM 173 O ASN A 12 4.864 -6.533 -6.945 1.00 10.00 O ATOM 174 CB ASN A 12 5.694 -9.509 -6.256 1.00 10.00 C ATOM 175 CG ASN A 12 6.090 -10.836 -6.908 1.00 10.00 C ATOM 176 OD1 ASN A 12 5.355 -11.418 -7.689 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.290 -11.280 -6.546 1.00 10.00 N ATOM 0 H ASN A 12 5.417 -9.435 -8.740 1.00 10.00 H new ATOM 0 HA ASN A 12 3.597 -9.517 -6.743 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.530 -8.811 -6.306 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.475 -9.669 -5.200 1.00 10.00 H new ATOM 0 HD21 ASN A 12 7.646 -12.157 -6.927 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.855 -10.744 -5.887 1.00 10.00 H new ATOM 184 N VAL A 13 3.476 -7.376 -5.371 1.00 10.00 N ATOM 185 CA VAL A 13 3.205 -6.086 -4.759 1.00 10.00 C ATOM 186 C VAL A 13 3.516 -6.161 -3.263 1.00 10.00 C ATOM 187 O VAL A 13 2.677 -5.816 -2.433 1.00 10.00 O ATOM 188 CB VAL A 13 1.764 -5.661 -5.050 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.767 -6.609 -4.379 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.522 -4.215 -4.617 1.00 10.00 C ATOM 0 H VAL A 13 2.998 -8.164 -4.934 1.00 10.00 H new ATOM 0 HA VAL A 13 3.849 -5.317 -5.187 1.00 10.00 H new ATOM 0 HB VAL A 13 1.608 -5.719 -6.127 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.250 -6.285 -4.601 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.916 -7.621 -4.757 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.924 -6.598 -3.300 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.491 -3.938 -4.835 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.705 -4.120 -3.547 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.198 -3.555 -5.160 1.00 10.00 H new ATOM 200 N THR A 14 4.725 -6.614 -2.965 1.00 10.00 N ATOM 201 CA THR A 14 5.158 -6.738 -1.583 1.00 10.00 C ATOM 202 C THR A 14 4.846 -5.456 -0.809 1.00 10.00 C ATOM 203 O THR A 14 5.380 -4.393 -1.120 1.00 10.00 O ATOM 204 CB THR A 14 6.643 -7.102 -1.583 1.00 10.00 C ATOM 205 OG1 THR A 14 6.659 -8.498 -1.864 1.00 10.00 O ATOM 206 CG2 THR A 14 7.273 -6.994 -0.193 1.00 10.00 C ATOM 0 H THR A 14 5.418 -6.900 -3.657 1.00 10.00 H new ATOM 0 HA THR A 14 4.615 -7.531 -1.068 1.00 10.00 H new ATOM 0 HB THR A 14 7.176 -6.449 -2.274 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.585 -8.817 -1.884 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.328 -7.263 -0.250 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.179 -5.971 0.171 1.00 10.00 H new ATOM 0 HG23 THR A 14 6.762 -7.671 0.492 1.00 10.00 H new ATOM 214 N PHE A 15 3.981 -5.598 0.185 1.00 10.00 N ATOM 215 CA PHE A 15 3.591 -4.464 1.005 1.00 10.00 C ATOM 216 C PHE A 15 4.704 -4.089 1.985 1.00 10.00 C ATOM 217 O PHE A 15 5.809 -4.624 1.910 1.00 10.00 O ATOM 218 CB PHE A 15 2.353 -4.889 1.797 1.00 10.00 C ATOM 219 CG PHE A 15 1.128 -5.182 0.928 1.00 10.00 C ATOM 220 CD1 PHE A 15 0.561 -4.187 0.194 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.607 -6.437 0.888 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.575 -4.458 -0.612 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.529 -6.709 0.081 1.00 10.00 C ATOM 224 CZ PHE A 15 -1.096 -5.714 -0.652 1.00 10.00 C ATOM 0 H PHE A 15 3.539 -6.481 0.441 1.00 10.00 H new ATOM 0 HA PHE A 15 3.392 -3.599 0.373 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.594 -5.779 2.379 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.101 -4.102 2.508 1.00 10.00 H new ATOM 0 HD1 PHE A 15 0.976 -3.190 0.225 1.00 10.00 H new ATOM 0 HD2 PHE A 15 1.057 -7.227 1.470 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -1.026 -3.667 -1.193 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -0.943 -7.706 0.049 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.960 -5.921 -1.266 1.00 10.00 H new ATOM 234 N ASP A 16 4.375 -3.171 2.883 1.00 10.00 N ATOM 235 CA ASP A 16 5.333 -2.718 3.877 1.00 10.00 C ATOM 236 C ASP A 16 4.587 -2.312 5.150 1.00 10.00 C ATOM 237 O ASP A 16 3.680 -1.482 5.104 1.00 10.00 O ATOM 238 CB ASP A 16 6.111 -1.500 3.375 1.00 10.00 C ATOM 239 CG ASP A 16 7.234 -1.812 2.385 1.00 10.00 C ATOM 240 OD1 ASP A 16 7.823 -2.906 2.521 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.478 -0.950 1.513 1.00 10.00 O ATOM 0 H ASP A 16 3.458 -2.729 2.943 1.00 10.00 H new ATOM 0 HA ASP A 16 6.028 -3.534 4.073 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.411 -0.811 2.902 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.538 -0.982 4.234 1.00 10.00 H new ATOM 246 N HIS A 17 4.998 -2.915 6.256 1.00 10.00 N ATOM 247 CA HIS A 17 4.380 -2.627 7.538 1.00 10.00 C ATOM 248 C HIS A 17 5.359 -1.843 8.414 1.00 10.00 C ATOM 249 O HIS A 17 5.092 -0.698 8.779 1.00 10.00 O ATOM 250 CB HIS A 17 3.888 -3.913 8.205 1.00 10.00 C ATOM 251 CG HIS A 17 2.456 -3.848 8.682 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.495 -4.765 8.294 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.834 -2.968 9.518 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.349 -4.441 8.876 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.562 -3.327 9.633 1.00 10.00 N ATOM 0 H HIS A 17 5.751 -3.602 6.290 1.00 10.00 H new ATOM 0 HA HIS A 17 3.499 -2.003 7.389 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.988 -4.738 7.499 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.533 -4.140 9.054 1.00 10.00 H new ATOM 0 HD1 HIS A 17 1.643 -5.556 7.667 1.00 10.00 H new ATOM 0 HD2 HIS A 17 2.298 -2.122 10.004 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.588 -4.967 8.769 1.00 10.00 H new ATOM 263 N LYS A 18 6.472 -2.489 8.728 1.00 10.00 N ATOM 264 CA LYS A 18 7.492 -1.866 9.554 1.00 10.00 C ATOM 265 C LYS A 18 8.297 -0.879 8.706 1.00 10.00 C ATOM 266 O LYS A 18 8.523 0.258 9.117 1.00 10.00 O ATOM 267 CB LYS A 18 8.351 -2.931 10.239 1.00 10.00 C ATOM 268 CG LYS A 18 8.166 -2.891 11.758 1.00 10.00 C ATOM 269 CD LYS A 18 9.502 -3.095 12.477 1.00 10.00 C ATOM 270 CE LYS A 18 10.248 -1.770 12.634 1.00 10.00 C ATOM 271 NZ LYS A 18 11.062 -1.488 11.431 1.00 10.00 N ATOM 0 H LYS A 18 6.690 -3.438 8.425 1.00 10.00 H new ATOM 0 HA LYS A 18 7.032 -1.294 10.360 1.00 10.00 H new ATOM 0 HB2 LYS A 18 8.082 -3.918 9.862 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.401 -2.771 9.992 1.00 10.00 H new ATOM 0 HG2 LYS A 18 7.734 -1.934 12.051 1.00 10.00 H new ATOM 0 HG3 LYS A 18 7.462 -3.666 12.063 1.00 10.00 H new ATOM 0 HD2 LYS A 18 9.327 -3.536 13.458 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.117 -3.798 11.916 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.535 -0.961 12.796 1.00 10.00 H new ATOM 0 HE3 LYS A 18 10.890 -1.809 13.514 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 11.834 -0.837 11.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 11.462 -2.376 11.067 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 10.463 -1.053 10.701 1.00 10.00 H new ATOM 285 N ALA A 19 8.708 -1.350 7.538 1.00 10.00 N ATOM 286 CA ALA A 19 9.483 -0.523 6.629 1.00 10.00 C ATOM 287 C ALA A 19 8.686 0.737 6.286 1.00 10.00 C ATOM 288 O ALA A 19 9.264 1.778 5.980 1.00 10.00 O ATOM 289 CB ALA A 19 9.849 -1.337 5.385 1.00 10.00 C ATOM 0 H ALA A 19 8.519 -2.294 7.200 1.00 10.00 H new ATOM 0 HA ALA A 19 10.414 -0.206 7.099 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.430 -0.717 4.703 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.439 -2.205 5.679 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.938 -1.669 4.887 1.00 10.00 H new ATOM 295 N HIS A 20 7.369 0.601 6.351 1.00 10.00 N ATOM 296 CA HIS A 20 6.486 1.716 6.051 1.00 10.00 C ATOM 297 C HIS A 20 6.195 2.498 7.333 1.00 10.00 C ATOM 298 O HIS A 20 6.388 3.712 7.382 1.00 10.00 O ATOM 299 CB HIS A 20 5.215 1.229 5.352 1.00 10.00 C ATOM 300 CG HIS A 20 5.240 1.392 3.851 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.389 1.232 3.098 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.244 1.703 2.972 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.088 1.439 1.824 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.757 1.731 1.749 1.00 10.00 N ATOM 0 H HIS A 20 6.892 -0.264 6.607 1.00 10.00 H new ATOM 0 HA HIS A 20 6.976 2.396 5.355 1.00 10.00 H new ATOM 0 HB2 HIS A 20 5.062 0.177 5.591 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.360 1.774 5.752 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.312 0.995 3.462 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.212 1.894 3.228 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.775 1.386 0.992 1.00 10.00 H new ATOM 312 N ALA A 21 5.734 1.771 8.341 1.00 10.00 N ATOM 313 CA ALA A 21 5.414 2.382 9.619 1.00 10.00 C ATOM 314 C ALA A 21 6.503 3.394 9.983 1.00 10.00 C ATOM 315 O ALA A 21 6.204 4.537 10.325 1.00 10.00 O ATOM 316 CB ALA A 21 5.255 1.291 10.681 1.00 10.00 C ATOM 0 H ALA A 21 5.575 0.764 8.298 1.00 10.00 H new ATOM 0 HA ALA A 21 4.469 2.921 9.560 1.00 10.00 H new ATOM 0 HB1 ALA A 21 5.015 1.749 11.640 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.451 0.615 10.390 1.00 10.00 H new ATOM 0 HB3 ALA A 21 6.186 0.731 10.769 1.00 10.00 H new ATOM 322 N GLU A 22 7.744 2.938 9.895 1.00 10.00 N ATOM 323 CA GLU A 22 8.878 3.789 10.210 1.00 10.00 C ATOM 324 C GLU A 22 8.664 5.192 9.638 1.00 10.00 C ATOM 325 O GLU A 22 9.191 6.170 10.167 1.00 10.00 O ATOM 326 CB GLU A 22 10.182 3.178 9.694 1.00 10.00 C ATOM 327 CG GLU A 22 10.068 2.816 8.212 1.00 10.00 C ATOM 328 CD GLU A 22 11.351 3.174 7.460 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.376 3.373 8.147 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.279 3.241 6.214 1.00 10.00 O ATOM 0 H GLU A 22 7.989 1.990 9.610 1.00 10.00 H new ATOM 0 HA GLU A 22 8.958 3.869 11.294 1.00 10.00 H new ATOM 0 HB2 GLU A 22 11.000 3.883 9.838 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.424 2.286 10.272 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.867 1.750 8.109 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.223 3.344 7.769 1.00 10.00 H new ATOM 337 N LYS A 23 7.891 5.246 8.562 1.00 10.00 N ATOM 338 CA LYS A 23 7.601 6.512 7.912 1.00 10.00 C ATOM 339 C LYS A 23 6.160 6.923 8.223 1.00 10.00 C ATOM 340 O LYS A 23 5.917 8.021 8.720 1.00 10.00 O ATOM 341 CB LYS A 23 7.907 6.428 6.415 1.00 10.00 C ATOM 342 CG LYS A 23 9.324 6.923 6.117 1.00 10.00 C ATOM 343 CD LYS A 23 9.397 8.450 6.173 1.00 10.00 C ATOM 344 CE LYS A 23 10.713 8.959 5.583 1.00 10.00 C ATOM 345 NZ LYS A 23 11.780 8.944 6.607 1.00 10.00 N ATOM 0 H LYS A 23 7.457 4.433 8.125 1.00 10.00 H new ATOM 0 HA LYS A 23 8.248 7.297 8.303 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.799 5.398 6.075 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.185 7.025 5.858 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.021 6.496 6.838 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.634 6.577 5.131 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.559 8.878 5.623 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.305 8.784 7.206 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.004 8.336 4.737 1.00 10.00 H new ATOM 0 HE3 LYS A 23 10.580 9.972 5.203 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.667 9.293 6.190 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.507 9.557 7.402 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.918 7.972 6.951 1.00 10.00 H new ATOM 359 N LEU A 24 5.242 6.018 7.916 1.00 10.00 N ATOM 360 CA LEU A 24 3.832 6.272 8.157 1.00 10.00 C ATOM 361 C LEU A 24 3.604 6.483 9.654 1.00 10.00 C ATOM 362 O LEU A 24 3.972 7.521 10.202 1.00 10.00 O ATOM 363 CB LEU A 24 2.977 5.155 7.556 1.00 10.00 C ATOM 364 CG LEU A 24 2.968 5.063 6.028 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.351 4.688 5.493 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.884 4.099 5.542 1.00 10.00 C ATOM 0 H LEU A 24 5.447 5.108 7.503 1.00 10.00 H new ATOM 0 HA LEU A 24 3.519 7.188 7.655 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.326 4.203 7.955 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.950 5.287 7.898 1.00 10.00 H new ATOM 0 HG LEU A 24 2.725 6.048 5.629 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.317 4.629 4.405 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.075 5.446 5.793 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.648 3.721 5.899 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.900 4.053 4.453 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.071 3.106 5.950 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.908 4.451 5.876 1.00 10.00 H new ATOM 378 N GLY A 25 2.999 5.480 10.276 1.00 10.00 N ATOM 379 CA GLY A 25 2.718 5.543 11.700 1.00 10.00 C ATOM 380 C GLY A 25 1.594 4.577 12.080 1.00 10.00 C ATOM 381 O GLY A 25 1.714 3.831 13.050 1.00 10.00 O ATOM 0 H GLY A 25 2.696 4.620 9.819 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.619 5.298 12.263 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.437 6.560 11.974 1.00 10.00 H new ATOM 385 N CYS A 26 0.528 4.621 11.295 1.00 10.00 N ATOM 386 CA CYS A 26 -0.617 3.759 11.537 1.00 10.00 C ATOM 387 C CYS A 26 -1.849 4.407 10.904 1.00 10.00 C ATOM 388 O CYS A 26 -2.411 3.879 9.946 1.00 10.00 O ATOM 389 CB CYS A 26 -0.816 3.489 13.030 1.00 10.00 C ATOM 390 SG CYS A 26 -0.071 1.930 13.634 1.00 10.00 S ATOM 0 H CYS A 26 0.433 5.240 10.490 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.446 2.785 11.079 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.393 4.320 13.595 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -1.885 3.471 13.242 1.00 10.00 H new ATOM 395 N ASP A 27 -2.234 5.544 11.466 1.00 10.00 N ATOM 396 CA ASP A 27 -3.389 6.271 10.969 1.00 10.00 C ATOM 397 C ASP A 27 -3.384 6.246 9.440 1.00 10.00 C ATOM 398 O ASP A 27 -4.438 6.313 8.810 1.00 10.00 O ATOM 399 CB ASP A 27 -3.355 7.734 11.418 1.00 10.00 C ATOM 400 CG ASP A 27 -1.988 8.412 11.308 1.00 10.00 C ATOM 401 OD1 ASP A 27 -1.607 8.741 10.164 1.00 10.00 O ATOM 402 OD2 ASP A 27 -1.354 8.585 12.371 1.00 10.00 O ATOM 0 H ASP A 27 -1.766 5.979 12.261 1.00 10.00 H new ATOM 0 HA ASP A 27 -4.284 5.792 11.366 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -4.073 8.298 10.822 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.688 7.788 12.454 1.00 10.00 H new ATOM 407 N ALA A 28 -2.184 6.148 8.886 1.00 10.00 N ATOM 408 CA ALA A 28 -2.027 6.113 7.442 1.00 10.00 C ATOM 409 C ALA A 28 -3.146 5.265 6.832 1.00 10.00 C ATOM 410 O ALA A 28 -4.077 5.800 6.231 1.00 10.00 O ATOM 411 CB ALA A 28 -0.636 5.581 7.092 1.00 10.00 C ATOM 0 H ALA A 28 -1.312 6.092 9.411 1.00 10.00 H new ATOM 0 HA ALA A 28 -2.107 7.116 7.023 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.518 5.555 6.009 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.123 6.234 7.524 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.520 4.575 7.494 1.00 10.00 H new ATOM 417 N CYS A 29 -3.019 3.958 7.008 1.00 10.00 N ATOM 418 CA CYS A 29 -4.006 3.032 6.483 1.00 10.00 C ATOM 419 C CYS A 29 -4.930 2.615 7.628 1.00 10.00 C ATOM 420 O CYS A 29 -6.056 2.177 7.395 1.00 10.00 O ATOM 421 CB CYS A 29 -3.349 1.825 5.811 1.00 10.00 C ATOM 422 SG CYS A 29 -1.524 1.898 5.716 1.00 10.00 S ATOM 0 H CYS A 29 -2.246 3.519 7.508 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.591 3.523 5.706 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -3.635 0.924 6.355 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.748 1.728 4.801 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.153 3.109 5.425 1.00 10.00 H new ATOM 427 N HIS A 30 -4.420 2.765 8.842 1.00 10.00 N ATOM 428 CA HIS A 30 -5.185 2.409 10.026 1.00 10.00 C ATOM 429 C HIS A 30 -5.639 3.680 10.745 1.00 10.00 C ATOM 430 O HIS A 30 -5.663 4.758 10.153 1.00 10.00 O ATOM 431 CB HIS A 30 -4.384 1.470 10.929 1.00 10.00 C ATOM 432 CG HIS A 30 -3.977 0.177 10.264 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.761 -0.963 10.297 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.861 -0.145 9.547 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.135 -1.921 9.630 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.958 -1.412 9.166 1.00 10.00 N ATOM 0 H HIS A 30 -3.486 3.128 9.031 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.080 1.860 9.733 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.488 1.988 11.271 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -4.977 1.240 11.814 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.667 -1.051 10.757 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.038 0.519 9.327 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.494 -2.929 9.480 1.00 10.00 H new ATOM 444 N GLU A 31 -5.988 3.512 12.012 1.00 10.00 N ATOM 445 CA GLU A 31 -6.440 4.633 12.819 1.00 10.00 C ATOM 446 C GLU A 31 -6.052 4.422 14.284 1.00 10.00 C ATOM 447 O GLU A 31 -5.042 3.784 14.577 1.00 10.00 O ATOM 448 CB GLU A 31 -7.949 4.839 12.675 1.00 10.00 C ATOM 449 CG GLU A 31 -8.725 3.739 13.402 1.00 10.00 C ATOM 450 CD GLU A 31 -10.065 3.467 12.715 1.00 10.00 C ATOM 451 OE1 GLU A 31 -11.000 4.256 12.965 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.121 2.476 11.956 1.00 10.00 O ATOM 0 H GLU A 31 -5.967 2.616 12.500 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.948 5.537 12.460 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.227 5.813 13.079 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.220 4.843 11.619 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.132 2.825 13.425 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.896 4.034 14.437 1.00 10.00 H new ATOM 459 N GLY A 32 -6.876 4.971 15.165 1.00 10.00 N ATOM 460 CA GLY A 32 -6.632 4.851 16.592 1.00 10.00 C ATOM 461 C GLY A 32 -6.635 3.385 17.028 1.00 10.00 C ATOM 462 O GLY A 32 -6.118 3.048 18.093 1.00 10.00 O ATOM 0 H GLY A 32 -7.713 5.500 14.918 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -5.673 5.306 16.840 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -7.396 5.399 17.143 1.00 10.00 H new ATOM 466 N THR A 33 -7.225 2.551 16.184 1.00 10.00 N ATOM 467 CA THR A 33 -7.302 1.129 16.468 1.00 10.00 C ATOM 468 C THR A 33 -7.432 0.331 15.169 1.00 10.00 C ATOM 469 O THR A 33 -8.473 0.367 14.515 1.00 10.00 O ATOM 470 CB THR A 33 -8.463 0.903 17.438 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.024 1.506 18.651 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.646 -0.573 17.800 1.00 10.00 C ATOM 0 H THR A 33 -7.654 2.834 15.303 1.00 10.00 H new ATOM 0 HA THR A 33 -6.388 0.771 16.942 1.00 10.00 H new ATOM 0 HB THR A 33 -9.384 1.285 16.997 1.00 10.00 H new ATOM 0 HG1 THR A 33 -7.091 1.791 18.556 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.483 -0.677 18.491 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.848 -1.147 16.896 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.737 -0.947 18.272 1.00 10.00 H new ATOM 480 N PRO A 34 -6.331 -0.389 14.824 1.00 10.00 N ATOM 481 CA PRO A 34 -6.311 -1.194 13.614 1.00 10.00 C ATOM 482 C PRO A 34 -7.134 -2.472 13.792 1.00 10.00 C ATOM 483 O PRO A 34 -7.936 -2.574 14.721 1.00 10.00 O ATOM 484 CB PRO A 34 -4.840 -1.466 13.347 1.00 10.00 C ATOM 485 CG PRO A 34 -4.121 -1.203 14.659 1.00 10.00 C ATOM 486 CD PRO A 34 -5.079 -0.456 15.573 1.00 10.00 C ATOM 0 HA PRO A 34 -6.769 -0.688 12.764 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.687 -2.494 13.017 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.460 -0.818 12.557 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.809 -2.141 15.118 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.219 -0.615 14.489 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.212 -0.979 16.520 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.705 0.540 15.809 1.00 10.00 H new ATOM 494 N ALA A 35 -6.905 -3.415 12.891 1.00 10.00 N ATOM 495 CA ALA A 35 -7.615 -4.682 12.937 1.00 10.00 C ATOM 496 C ALA A 35 -7.311 -5.478 11.666 1.00 10.00 C ATOM 497 O ALA A 35 -6.829 -6.608 11.738 1.00 10.00 O ATOM 498 CB ALA A 35 -9.112 -4.423 13.119 1.00 10.00 C ATOM 0 H ALA A 35 -6.238 -3.327 12.124 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.282 -5.278 13.787 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.644 -5.374 13.153 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.277 -3.881 14.050 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.483 -3.830 12.283 1.00 10.00 H new ATOM 504 N LYS A 36 -7.607 -4.860 10.533 1.00 10.00 N ATOM 505 CA LYS A 36 -7.371 -5.497 9.249 1.00 10.00 C ATOM 506 C LYS A 36 -7.762 -4.532 8.127 1.00 10.00 C ATOM 507 O LYS A 36 -8.566 -3.626 8.334 1.00 10.00 O ATOM 508 CB LYS A 36 -8.093 -6.844 9.179 1.00 10.00 C ATOM 509 CG LYS A 36 -9.540 -6.669 8.714 1.00 10.00 C ATOM 510 CD LYS A 36 -9.747 -7.273 7.324 1.00 10.00 C ATOM 511 CE LYS A 36 -10.104 -6.191 6.303 1.00 10.00 C ATOM 512 NZ LYS A 36 -11.530 -6.293 5.918 1.00 10.00 N ATOM 0 H LYS A 36 -8.009 -3.924 10.477 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.312 -5.721 9.124 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.565 -7.508 8.494 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.078 -7.320 10.160 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.214 -7.146 9.425 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.794 -5.609 8.695 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -8.840 -7.790 7.009 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -10.542 -8.018 7.362 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.904 -5.205 6.724 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -9.474 -6.294 5.419 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -11.791 -5.474 5.332 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.682 -7.168 5.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.120 -6.308 6.774 1.00 10.00 H new ATOM 526 N ILE A 37 -7.172 -4.760 6.963 1.00 10.00 N ATOM 527 CA ILE A 37 -7.447 -3.923 5.808 1.00 10.00 C ATOM 528 C ILE A 37 -7.781 -4.810 4.607 1.00 10.00 C ATOM 529 O ILE A 37 -7.236 -5.904 4.468 1.00 10.00 O ATOM 530 CB ILE A 37 -6.286 -2.959 5.555 1.00 10.00 C ATOM 531 CG1 ILE A 37 -5.993 -2.115 6.797 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.550 -2.093 4.322 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.905 -1.078 6.512 1.00 10.00 C ATOM 0 H ILE A 37 -6.504 -5.513 6.795 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.318 -3.295 5.993 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.392 -3.548 5.348 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.904 -1.612 7.122 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.678 -2.763 7.615 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.709 -1.417 4.165 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.670 -2.732 3.447 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.459 -1.512 4.474 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.716 -0.492 7.411 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.989 -1.586 6.211 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.234 -0.417 5.710 1.00 10.00 H new ATOM 545 N ALA A 38 -8.676 -4.307 3.769 1.00 10.00 N ATOM 546 CA ALA A 38 -9.090 -5.040 2.586 1.00 10.00 C ATOM 547 C ALA A 38 -8.300 -4.536 1.377 1.00 10.00 C ATOM 548 O ALA A 38 -8.548 -3.437 0.883 1.00 10.00 O ATOM 549 CB ALA A 38 -10.601 -4.894 2.397 1.00 10.00 C ATOM 0 H ALA A 38 -9.126 -3.399 3.887 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.877 -6.103 2.699 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.911 -5.444 1.509 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.117 -5.293 3.270 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.853 -3.840 2.277 1.00 10.00 H new ATOM 555 N ILE A 39 -7.364 -5.364 0.935 1.00 10.00 N ATOM 556 CA ILE A 39 -6.535 -5.015 -0.207 1.00 10.00 C ATOM 557 C ILE A 39 -6.804 -6.001 -1.346 1.00 10.00 C ATOM 558 O ILE A 39 -6.622 -7.207 -1.183 1.00 10.00 O ATOM 559 CB ILE A 39 -5.064 -4.936 0.204 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.816 -3.741 1.128 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.153 -4.907 -1.026 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.689 -2.444 0.325 1.00 10.00 C ATOM 0 H ILE A 39 -7.161 -6.275 1.347 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.792 -4.022 -0.577 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.818 -5.836 0.768 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.635 -3.652 1.842 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.906 -3.906 1.706 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.112 -4.851 -0.707 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.304 -5.813 -1.612 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.393 -4.036 -1.636 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.513 -1.611 1.005 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.854 -2.527 -0.371 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -5.609 -2.270 -0.232 1.00 10.00 H new ATOM 574 N ASP A 40 -7.232 -5.453 -2.473 1.00 10.00 N ATOM 575 CA ASP A 40 -7.527 -6.269 -3.638 1.00 10.00 C ATOM 576 C ASP A 40 -7.645 -5.368 -4.869 1.00 10.00 C ATOM 577 O ASP A 40 -7.636 -4.144 -4.751 1.00 10.00 O ATOM 578 CB ASP A 40 -8.853 -7.013 -3.468 1.00 10.00 C ATOM 579 CG ASP A 40 -8.810 -8.500 -3.825 1.00 10.00 C ATOM 580 OD1 ASP A 40 -8.069 -9.230 -3.131 1.00 10.00 O ATOM 581 OD2 ASP A 40 -9.519 -8.874 -4.785 1.00 10.00 O ATOM 0 H ASP A 40 -7.382 -4.453 -2.604 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.720 -6.992 -3.756 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -9.179 -6.913 -2.433 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.607 -6.528 -4.088 1.00 10.00 H new ATOM 586 N LYS A 41 -7.752 -6.010 -6.024 1.00 10.00 N ATOM 587 CA LYS A 41 -7.873 -5.282 -7.276 1.00 10.00 C ATOM 588 C LYS A 41 -9.247 -4.613 -7.343 1.00 10.00 C ATOM 589 O LYS A 41 -10.035 -4.895 -8.243 1.00 10.00 O ATOM 590 CB LYS A 41 -7.579 -6.204 -8.462 1.00 10.00 C ATOM 591 CG LYS A 41 -7.142 -5.399 -9.686 1.00 10.00 C ATOM 592 CD LYS A 41 -7.561 -6.099 -10.981 1.00 10.00 C ATOM 593 CE LYS A 41 -7.640 -5.104 -12.141 1.00 10.00 C ATOM 594 NZ LYS A 41 -6.286 -4.653 -12.530 1.00 10.00 N ATOM 0 H LYS A 41 -7.757 -7.026 -6.119 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.129 -4.487 -7.327 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -6.797 -6.913 -8.191 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.468 -6.786 -8.704 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.584 -4.403 -9.647 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -6.060 -5.269 -9.673 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -6.846 -6.886 -11.221 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.530 -6.579 -10.842 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -8.134 -5.569 -12.994 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -8.246 -4.246 -11.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -6.296 -3.626 -12.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -5.614 -4.875 -11.768 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -5.995 -5.141 -13.401 1.00 10.00 H new ATOM 608 N LYS A 42 -9.491 -3.739 -6.377 1.00 10.00 N ATOM 609 CA LYS A 42 -10.757 -3.028 -6.315 1.00 10.00 C ATOM 610 C LYS A 42 -10.574 -1.739 -5.509 1.00 10.00 C ATOM 611 O LYS A 42 -10.981 -0.665 -5.950 1.00 10.00 O ATOM 612 CB LYS A 42 -11.858 -3.941 -5.773 1.00 10.00 C ATOM 613 CG LYS A 42 -11.410 -4.637 -4.486 1.00 10.00 C ATOM 614 CD LYS A 42 -12.106 -4.034 -3.264 1.00 10.00 C ATOM 615 CE LYS A 42 -11.480 -4.548 -1.967 1.00 10.00 C ATOM 616 NZ LYS A 42 -12.067 -3.856 -0.798 1.00 10.00 N ATOM 0 H LYS A 42 -8.834 -3.507 -5.632 1.00 10.00 H new ATOM 0 HA LYS A 42 -11.080 -2.737 -7.314 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.758 -3.357 -5.580 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.118 -4.688 -6.523 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -11.634 -5.702 -4.548 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -10.330 -4.544 -4.376 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -12.035 -2.947 -3.300 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.167 -4.285 -3.284 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -11.641 -5.622 -1.880 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -10.402 -4.388 -1.988 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -11.428 -3.949 0.017 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -12.199 -2.849 -1.021 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -12.987 -4.283 -0.568 1.00 10.00 H new ATOM 630 N SER A 43 -9.961 -1.890 -4.345 1.00 10.00 N ATOM 631 CA SER A 43 -9.718 -0.752 -3.474 1.00 10.00 C ATOM 632 C SER A 43 -8.231 -0.396 -3.480 1.00 10.00 C ATOM 633 O SER A 43 -7.869 0.778 -3.421 1.00 10.00 O ATOM 634 CB SER A 43 -10.190 -1.039 -2.048 1.00 10.00 C ATOM 635 OG SER A 43 -11.502 -0.535 -1.807 1.00 10.00 O ATOM 0 H SER A 43 -9.625 -2.783 -3.984 1.00 10.00 H new ATOM 0 HA SER A 43 -10.289 0.096 -3.852 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.177 -2.115 -1.872 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.494 -0.591 -1.339 1.00 10.00 H new ATOM 0 HG SER A 43 -11.767 -0.740 -0.886 1.00 10.00 H new ATOM 641 N ALA A 44 -7.407 -1.432 -3.551 1.00 10.00 N ATOM 642 CA ALA A 44 -5.967 -1.244 -3.566 1.00 10.00 C ATOM 643 C ALA A 44 -5.588 -0.320 -4.726 1.00 10.00 C ATOM 644 O ALA A 44 -4.497 0.247 -4.742 1.00 10.00 O ATOM 645 CB ALA A 44 -5.275 -2.605 -3.653 1.00 10.00 C ATOM 0 H ALA A 44 -7.710 -2.405 -3.599 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.633 -0.768 -2.644 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.194 -2.464 -3.664 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.553 -3.210 -2.790 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.584 -3.113 -4.567 1.00 10.00 H new ATOM 651 N HIS A 45 -6.511 -0.199 -5.668 1.00 10.00 N ATOM 652 CA HIS A 45 -6.289 0.645 -6.829 1.00 10.00 C ATOM 653 C HIS A 45 -6.993 1.989 -6.630 1.00 10.00 C ATOM 654 O HIS A 45 -7.021 2.819 -7.536 1.00 10.00 O ATOM 655 CB HIS A 45 -6.725 -0.068 -8.111 1.00 10.00 C ATOM 656 CG HIS A 45 -5.647 -0.918 -8.738 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.541 -1.107 -10.105 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.628 -1.627 -8.172 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.503 -1.898 -10.339 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.938 -2.218 -9.139 1.00 10.00 N ATOM 0 H HIS A 45 -7.415 -0.672 -5.651 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.223 0.845 -6.938 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.587 -0.698 -7.889 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -7.053 0.677 -8.836 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.157 -0.706 -10.812 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.418 -1.696 -7.115 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.164 -2.231 -11.309 1.00 10.00 H new ATOM 668 N LYS A 46 -7.544 2.160 -5.437 1.00 10.00 N ATOM 669 CA LYS A 46 -8.245 3.390 -5.107 1.00 10.00 C ATOM 670 C LYS A 46 -7.515 4.096 -3.963 1.00 10.00 C ATOM 671 O LYS A 46 -6.370 3.769 -3.656 1.00 10.00 O ATOM 672 CB LYS A 46 -9.719 3.102 -4.812 1.00 10.00 C ATOM 673 CG LYS A 46 -10.606 3.530 -5.983 1.00 10.00 C ATOM 674 CD LYS A 46 -10.955 5.017 -5.891 1.00 10.00 C ATOM 675 CE LYS A 46 -10.805 5.700 -7.252 1.00 10.00 C ATOM 676 NZ LYS A 46 -11.359 7.071 -7.207 1.00 10.00 N ATOM 0 H LYS A 46 -7.519 1.468 -4.688 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.241 4.072 -5.957 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.854 2.038 -4.619 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.023 3.631 -3.909 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.093 3.331 -6.924 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -11.521 2.938 -5.987 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.978 5.133 -5.533 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -10.305 5.502 -5.163 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -9.753 5.736 -7.534 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -11.320 5.118 -8.016 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -11.249 7.521 -8.138 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.368 7.030 -6.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -10.849 7.628 -6.492 1.00 10.00 H new ATOM 690 N ASP A 47 -8.209 5.053 -3.363 1.00 10.00 N ATOM 691 CA ASP A 47 -7.641 5.809 -2.260 1.00 10.00 C ATOM 692 C ASP A 47 -6.835 4.867 -1.362 1.00 10.00 C ATOM 693 O ASP A 47 -5.868 5.285 -0.729 1.00 10.00 O ATOM 694 CB ASP A 47 -8.739 6.450 -1.408 1.00 10.00 C ATOM 695 CG ASP A 47 -9.638 7.441 -2.150 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.115 8.098 -3.076 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.827 7.518 -1.775 1.00 10.00 O ATOM 0 H ASP A 47 -9.159 5.322 -3.620 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.007 6.590 -2.679 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.362 5.659 -0.991 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.272 6.965 -0.568 1.00 10.00 H new ATOM 702 N ALA A 48 -7.265 3.614 -1.338 1.00 10.00 N ATOM 703 CA ALA A 48 -6.597 2.610 -0.529 1.00 10.00 C ATOM 704 C ALA A 48 -5.083 2.824 -0.605 1.00 10.00 C ATOM 705 O ALA A 48 -4.427 3.017 0.418 1.00 10.00 O ATOM 706 CB ALA A 48 -7.012 1.215 -1.000 1.00 10.00 C ATOM 0 H ALA A 48 -8.068 3.272 -1.866 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.891 2.702 0.516 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.510 0.462 -0.393 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.091 1.103 -0.899 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.730 1.085 -2.045 1.00 10.00 H new ATOM 712 N CYS A 49 -4.574 2.783 -1.827 1.00 10.00 N ATOM 713 CA CYS A 49 -3.150 2.971 -2.051 1.00 10.00 C ATOM 714 C CYS A 49 -2.962 4.184 -2.966 1.00 10.00 C ATOM 715 O CYS A 49 -2.195 5.091 -2.651 1.00 10.00 O ATOM 716 CB CYS A 49 -2.497 1.714 -2.629 1.00 10.00 C ATOM 717 SG CYS A 49 -2.252 0.355 -1.427 1.00 10.00 S ATOM 0 H CYS A 49 -5.121 2.622 -2.673 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.652 3.155 -1.099 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.112 1.347 -3.451 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.530 1.986 -3.051 1.00 10.00 H new ATOM 722 N LYS A 50 -3.678 4.159 -4.081 1.00 10.00 N ATOM 723 CA LYS A 50 -3.600 5.244 -5.044 1.00 10.00 C ATOM 724 C LYS A 50 -3.377 6.563 -4.302 1.00 10.00 C ATOM 725 O LYS A 50 -2.269 7.097 -4.296 1.00 10.00 O ATOM 726 CB LYS A 50 -4.834 5.247 -5.948 1.00 10.00 C ATOM 727 CG LYS A 50 -4.492 4.724 -7.345 1.00 10.00 C ATOM 728 CD LYS A 50 -4.049 5.863 -8.265 1.00 10.00 C ATOM 729 CE LYS A 50 -5.194 6.305 -9.179 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.666 7.045 -10.347 1.00 10.00 N ATOM 0 H LYS A 50 -4.314 3.405 -4.339 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.747 5.104 -5.708 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.615 4.629 -5.505 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -5.232 6.259 -6.022 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.699 3.980 -7.274 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -5.361 4.224 -7.773 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.710 6.708 -7.666 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.201 5.539 -8.869 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -5.756 5.434 -9.516 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -5.888 6.936 -8.624 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.455 7.338 -10.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.150 7.887 -10.020 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.022 6.431 -10.885 1.00 10.00 H new ATOM 744 N THR A 51 -4.449 7.050 -3.693 1.00 10.00 N ATOM 745 CA THR A 51 -4.385 8.298 -2.950 1.00 10.00 C ATOM 746 C THR A 51 -3.006 8.465 -2.308 1.00 10.00 C ATOM 747 O THR A 51 -2.184 9.245 -2.787 1.00 10.00 O ATOM 748 CB THR A 51 -5.531 8.305 -1.938 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.658 8.742 -2.692 1.00 10.00 O ATOM 750 CG2 THR A 51 -5.360 9.382 -0.865 1.00 10.00 C ATOM 0 H THR A 51 -5.366 6.603 -3.699 1.00 10.00 H new ATOM 0 HA THR A 51 -4.509 9.158 -3.608 1.00 10.00 H new ATOM 0 HB THR A 51 -5.599 7.327 -1.462 1.00 10.00 H new ATOM 0 HG1 THR A 51 -7.482 8.452 -2.247 1.00 10.00 H new ATOM 0 HG21 THR A 51 -6.201 9.343 -0.173 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.433 9.208 -0.319 1.00 10.00 H new ATOM 0 HG23 THR A 51 -5.324 10.364 -1.337 1.00 10.00 H new ATOM 758 N CYS A 52 -2.795 7.720 -1.232 1.00 10.00 N ATOM 759 CA CYS A 52 -1.530 7.776 -0.520 1.00 10.00 C ATOM 760 C CYS A 52 -0.464 7.095 -1.379 1.00 10.00 C ATOM 761 O CYS A 52 -0.191 5.908 -1.210 1.00 10.00 O ATOM 762 CB CYS A 52 -1.635 7.143 0.869 1.00 10.00 C ATOM 763 SG CYS A 52 -0.033 6.700 1.634 1.00 10.00 S ATOM 0 H CYS A 52 -3.479 7.075 -0.837 1.00 10.00 H new ATOM 0 HA CYS A 52 -1.249 8.816 -0.353 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -2.158 7.835 1.529 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -2.248 6.245 0.798 1.00 10.00 H new ATOM 768 N HIS A 53 0.111 7.875 -2.283 1.00 10.00 N ATOM 769 CA HIS A 53 1.141 7.362 -3.168 1.00 10.00 C ATOM 770 C HIS A 53 1.358 8.340 -4.325 1.00 10.00 C ATOM 771 O HIS A 53 2.494 8.667 -4.662 1.00 10.00 O ATOM 772 CB HIS A 53 0.795 5.949 -3.643 1.00 10.00 C ATOM 773 CG HIS A 53 1.659 4.869 -3.037 1.00 10.00 C ATOM 774 ND1 HIS A 53 2.100 3.771 -3.755 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.160 4.731 -1.776 1.00 10.00 C ATOM 776 CE1 HIS A 53 2.831 3.012 -2.952 1.00 10.00 C ATOM 777 NE2 HIS A 53 2.868 3.608 -1.726 1.00 10.00 N ATOM 0 H HIS A 53 -0.118 8.859 -2.421 1.00 10.00 H new ATOM 0 HA HIS A 53 2.083 7.280 -2.626 1.00 10.00 H new ATOM 0 HB2 HIS A 53 -0.248 5.742 -3.405 1.00 10.00 H new ATOM 0 HB3 HIS A 53 0.888 5.908 -4.728 1.00 10.00 H new ATOM 0 HD1 HIS A 53 1.897 3.579 -4.736 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.007 5.418 -0.957 1.00 10.00 H new ATOM 0 HE1 HIS A 53 3.313 2.084 -3.221 1.00 10.00 H new ATOM 785 N LYS A 54 0.248 8.777 -4.903 1.00 10.00 N ATOM 786 CA LYS A 54 0.302 9.711 -6.015 1.00 10.00 C ATOM 787 C LYS A 54 0.644 11.105 -5.488 1.00 10.00 C ATOM 788 O LYS A 54 -0.187 12.011 -5.533 1.00 10.00 O ATOM 789 CB LYS A 54 -0.998 9.659 -6.821 1.00 10.00 C ATOM 790 CG LYS A 54 -2.212 9.885 -5.918 1.00 10.00 C ATOM 791 CD LYS A 54 -3.360 10.535 -6.694 1.00 10.00 C ATOM 792 CE LYS A 54 -4.378 11.163 -5.742 1.00 10.00 C ATOM 793 NZ LYS A 54 -4.344 12.639 -5.847 1.00 10.00 N ATOM 0 H LYS A 54 -0.693 8.502 -4.622 1.00 10.00 H new ATOM 0 HA LYS A 54 1.093 9.431 -6.711 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.976 10.418 -7.603 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.084 8.692 -7.317 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -2.543 8.933 -5.502 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.931 10.520 -5.077 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.964 11.298 -7.364 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.852 9.788 -7.317 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -5.378 10.799 -5.978 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.162 10.860 -4.717 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -5.041 13.050 -5.194 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -3.394 12.983 -5.600 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -4.573 12.923 -6.821 1.00 10.00 H new ATOM 807 N SER A 55 1.869 11.236 -5.001 1.00 10.00 N ATOM 808 CA SER A 55 2.332 12.505 -4.467 1.00 10.00 C ATOM 809 C SER A 55 3.821 12.419 -4.128 1.00 10.00 C ATOM 810 O SER A 55 4.630 13.166 -4.676 1.00 10.00 O ATOM 811 CB SER A 55 1.528 12.907 -3.228 1.00 10.00 C ATOM 812 OG SER A 55 2.011 14.115 -2.648 1.00 10.00 O ATOM 0 H SER A 55 2.556 10.483 -4.965 1.00 10.00 H new ATOM 0 HA SER A 55 2.183 13.271 -5.228 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.480 13.029 -3.500 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.575 12.106 -2.490 1.00 10.00 H new ATOM 0 HG SER A 55 1.471 14.339 -1.861 1.00 10.00 H new ATOM 818 N ASN A 56 4.138 11.502 -3.226 1.00 10.00 N ATOM 819 CA ASN A 56 5.516 11.308 -2.808 1.00 10.00 C ATOM 820 C ASN A 56 6.188 10.293 -3.735 1.00 10.00 C ATOM 821 O ASN A 56 5.574 9.816 -4.687 1.00 10.00 O ATOM 822 CB ASN A 56 5.586 10.763 -1.380 1.00 10.00 C ATOM 823 CG ASN A 56 5.273 11.859 -0.359 1.00 10.00 C ATOM 824 OD1 ASN A 56 4.396 12.686 -0.546 1.00 10.00 O ATOM 825 ND2 ASN A 56 6.036 11.819 0.729 1.00 10.00 N ATOM 0 H ASN A 56 3.464 10.885 -2.773 1.00 10.00 H new ATOM 0 HA ASN A 56 6.021 12.273 -2.851 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.879 9.942 -1.265 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.580 10.357 -1.190 1.00 10.00 H new ATOM 0 HD21 ASN A 56 5.904 12.508 1.470 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.753 11.100 0.823 1.00 10.00 H new ATOM 832 N ASN A 57 7.441 9.995 -3.423 1.00 10.00 N ATOM 833 CA ASN A 57 8.203 9.045 -4.216 1.00 10.00 C ATOM 834 C ASN A 57 7.495 7.690 -4.201 1.00 10.00 C ATOM 835 O ASN A 57 7.556 6.964 -3.208 1.00 10.00 O ATOM 836 CB ASN A 57 9.608 8.852 -3.642 1.00 10.00 C ATOM 837 CG ASN A 57 9.551 8.550 -2.144 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.511 8.619 -1.509 1.00 10.00 O ATOM 839 ND2 ASN A 57 10.724 8.214 -1.615 1.00 10.00 N ATOM 0 H ASN A 57 7.947 10.394 -2.633 1.00 10.00 H new ATOM 0 HA ASN A 57 8.278 9.436 -5.231 1.00 10.00 H new ATOM 0 HB2 ASN A 57 10.108 8.035 -4.162 1.00 10.00 H new ATOM 0 HB3 ASN A 57 10.201 9.750 -3.813 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.791 7.995 -0.621 1.00 10.00 H new ATOM 0 HD22 ASN A 57 11.556 8.175 -2.203 1.00 10.00 H new ATOM 846 N GLY A 58 6.839 7.388 -5.312 1.00 10.00 N ATOM 847 CA GLY A 58 6.120 6.132 -5.438 1.00 10.00 C ATOM 848 C GLY A 58 5.796 5.830 -6.903 1.00 10.00 C ATOM 849 O GLY A 58 6.479 6.313 -7.806 1.00 10.00 O ATOM 0 H GLY A 58 6.791 7.992 -6.133 1.00 10.00 H new ATOM 0 HA2 GLY A 58 6.719 5.323 -5.020 1.00 10.00 H new ATOM 0 HA3 GLY A 58 5.197 6.178 -4.860 1.00 10.00 H new ATOM 853 N PRO A 59 4.727 5.014 -7.100 1.00 10.00 N ATOM 854 CA PRO A 59 4.304 4.642 -8.440 1.00 10.00 C ATOM 855 C PRO A 59 3.587 5.805 -9.130 1.00 10.00 C ATOM 856 O PRO A 59 3.154 6.750 -8.473 1.00 10.00 O ATOM 857 CB PRO A 59 3.414 3.425 -8.248 1.00 10.00 C ATOM 858 CG PRO A 59 2.997 3.440 -6.786 1.00 10.00 C ATOM 859 CD PRO A 59 3.894 4.424 -6.055 1.00 10.00 C ATOM 0 HA PRO A 59 5.142 4.406 -9.096 1.00 10.00 H new ATOM 0 HB2 PRO A 59 2.544 3.470 -8.903 1.00 10.00 H new ATOM 0 HB3 PRO A 59 3.949 2.507 -8.492 1.00 10.00 H new ATOM 0 HG2 PRO A 59 1.951 3.733 -6.690 1.00 10.00 H new ATOM 0 HG3 PRO A 59 3.090 2.444 -6.352 1.00 10.00 H new ATOM 0 HD2 PRO A 59 3.309 5.185 -5.538 1.00 10.00 H new ATOM 0 HD3 PRO A 59 4.501 3.922 -5.301 1.00 10.00 H new ATOM 867 N THR A 60 3.484 5.696 -10.446 1.00 10.00 N ATOM 868 CA THR A 60 2.827 6.727 -11.232 1.00 10.00 C ATOM 869 C THR A 60 2.867 6.369 -12.720 1.00 10.00 C ATOM 870 O THR A 60 1.919 6.644 -13.454 1.00 10.00 O ATOM 871 CB THR A 60 3.495 8.065 -10.912 1.00 10.00 C ATOM 872 OG1 THR A 60 2.664 8.637 -9.906 1.00 10.00 O ATOM 873 CG2 THR A 60 3.409 9.056 -12.074 1.00 10.00 C ATOM 0 H THR A 60 3.844 4.910 -10.988 1.00 10.00 H new ATOM 0 HA THR A 60 1.770 6.806 -10.976 1.00 10.00 H new ATOM 0 HB THR A 60 4.541 7.895 -10.657 1.00 10.00 H new ATOM 0 HG1 THR A 60 2.901 8.261 -9.033 1.00 10.00 H new ATOM 0 HG21 THR A 60 3.898 9.989 -11.794 1.00 10.00 H new ATOM 0 HG22 THR A 60 3.904 8.635 -12.949 1.00 10.00 H new ATOM 0 HG23 THR A 60 2.363 9.252 -12.309 1.00 10.00 H new ATOM 881 N LYS A 61 3.973 5.760 -13.119 1.00 10.00 N ATOM 882 CA LYS A 61 4.149 5.362 -14.506 1.00 10.00 C ATOM 883 C LYS A 61 3.642 3.930 -14.688 1.00 10.00 C ATOM 884 O LYS A 61 4.211 3.160 -15.460 1.00 10.00 O ATOM 885 CB LYS A 61 5.603 5.560 -14.940 1.00 10.00 C ATOM 886 CG LYS A 61 6.496 4.445 -14.391 1.00 10.00 C ATOM 887 CD LYS A 61 7.974 4.820 -14.503 1.00 10.00 C ATOM 888 CE LYS A 61 8.818 4.033 -13.499 1.00 10.00 C ATOM 889 NZ LYS A 61 9.085 4.849 -12.294 1.00 10.00 N ATOM 0 H LYS A 61 4.756 5.532 -12.507 1.00 10.00 H new ATOM 0 HA LYS A 61 3.556 5.997 -15.164 1.00 10.00 H new ATOM 0 HB2 LYS A 61 5.662 5.576 -16.028 1.00 10.00 H new ATOM 0 HB3 LYS A 61 5.963 6.526 -14.587 1.00 10.00 H new ATOM 0 HG2 LYS A 61 6.244 4.253 -13.348 1.00 10.00 H new ATOM 0 HG3 LYS A 61 6.309 3.522 -14.939 1.00 10.00 H new ATOM 0 HD2 LYS A 61 8.327 4.621 -15.515 1.00 10.00 H new ATOM 0 HD3 LYS A 61 8.096 5.889 -14.327 1.00 10.00 H new ATOM 0 HE2 LYS A 61 8.299 3.117 -13.217 1.00 10.00 H new ATOM 0 HE3 LYS A 61 9.760 3.736 -13.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 9.659 4.300 -11.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 9.600 5.711 -12.565 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 8.184 5.111 -11.845 1.00 10.00 H new ATOM 903 N CYS A 62 2.576 3.617 -13.967 1.00 10.00 N ATOM 904 CA CYS A 62 1.986 2.291 -14.039 1.00 10.00 C ATOM 905 C CYS A 62 3.118 1.261 -14.057 1.00 10.00 C ATOM 906 O CYS A 62 3.572 0.853 -15.125 1.00 10.00 O ATOM 907 CB CYS A 62 1.065 2.149 -15.252 1.00 10.00 C ATOM 908 SG CYS A 62 0.342 0.482 -15.475 1.00 10.00 S ATOM 0 H CYS A 62 2.105 4.259 -13.330 1.00 10.00 H new ATOM 0 HA CYS A 62 1.357 2.121 -13.165 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.254 2.872 -15.162 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.626 2.409 -16.149 1.00 10.00 H new ATOM 0 HG CYS A 62 0.962 -0.366 -14.709 1.00 10.00 H new ATOM 913 N GLY A 63 3.539 0.872 -12.863 1.00 10.00 N ATOM 914 CA GLY A 63 4.609 -0.103 -12.729 1.00 10.00 C ATOM 915 C GLY A 63 5.324 0.049 -11.385 1.00 10.00 C ATOM 916 O GLY A 63 5.806 -0.930 -10.820 1.00 10.00 O ATOM 0 H GLY A 63 3.159 1.214 -11.980 1.00 10.00 H new ATOM 0 HA2 GLY A 63 4.201 -1.110 -12.816 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.324 0.023 -13.542 1.00 10.00 H new ATOM 920 N GLY A 64 5.368 1.286 -10.911 1.00 10.00 N ATOM 921 CA GLY A 64 6.015 1.580 -9.644 1.00 10.00 C ATOM 922 C GLY A 64 5.631 0.549 -8.580 1.00 10.00 C ATOM 923 O GLY A 64 6.449 0.185 -7.738 1.00 10.00 O ATOM 0 H GLY A 64 4.966 2.096 -11.382 1.00 10.00 H new ATOM 0 HA2 GLY A 64 7.097 1.585 -9.777 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.730 2.577 -9.309 1.00 10.00 H new ATOM 927 N CYS A 65 4.383 0.107 -8.654 1.00 10.00 N ATOM 928 CA CYS A 65 3.880 -0.875 -7.709 1.00 10.00 C ATOM 929 C CYS A 65 4.068 -2.266 -8.315 1.00 10.00 C ATOM 930 O CYS A 65 4.520 -3.187 -7.637 1.00 10.00 O ATOM 931 CB CYS A 65 2.420 -0.606 -7.338 1.00 10.00 C ATOM 932 SG CYS A 65 2.170 0.114 -5.674 1.00 10.00 S ATOM 0 H CYS A 65 3.706 0.411 -9.354 1.00 10.00 H new ATOM 0 HA CYS A 65 4.442 -0.808 -6.777 1.00 10.00 H new ATOM 0 HB2 CYS A 65 1.990 0.069 -8.078 1.00 10.00 H new ATOM 0 HB3 CYS A 65 1.866 -1.542 -7.400 1.00 10.00 H new ATOM 937 N HIS A 66 3.712 -2.377 -9.586 1.00 10.00 N ATOM 938 CA HIS A 66 3.836 -3.640 -10.292 1.00 10.00 C ATOM 939 C HIS A 66 5.140 -3.656 -11.092 1.00 10.00 C ATOM 940 O HIS A 66 5.228 -3.043 -12.156 1.00 10.00 O ATOM 941 CB HIS A 66 2.604 -3.901 -11.161 1.00 10.00 C ATOM 942 CG HIS A 66 1.406 -4.405 -10.393 1.00 10.00 C ATOM 943 ND1 HIS A 66 0.884 -5.675 -10.566 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.633 -3.797 -9.447 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.155 -5.814 -9.756 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.310 -4.650 -9.063 1.00 10.00 N ATOM 0 H HIS A 66 3.337 -1.611 -10.146 1.00 10.00 H new ATOM 0 HA HIS A 66 3.881 -4.458 -9.573 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.332 -2.979 -11.674 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.862 -4.629 -11.930 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.239 -6.384 -11.208 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.766 -2.792 -9.074 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.772 -6.696 -9.661 1.00 10.00 H new ATOM 954 N ILE A 67 6.121 -4.363 -10.550 1.00 10.00 N ATOM 955 CA ILE A 67 7.416 -4.465 -11.200 1.00 10.00 C ATOM 956 C ILE A 67 7.286 -5.334 -12.453 1.00 10.00 C ATOM 957 O ILE A 67 7.332 -6.561 -12.370 1.00 10.00 O ATOM 958 CB ILE A 67 8.473 -4.966 -10.212 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.679 -3.962 -9.076 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.782 -5.295 -10.931 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.565 -4.647 -7.713 1.00 10.00 C ATOM 0 H ILE A 67 6.045 -4.870 -9.668 1.00 10.00 H new ATOM 0 HA ILE A 67 7.757 -3.482 -11.526 1.00 10.00 H new ATOM 0 HB ILE A 67 8.111 -5.891 -9.763 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.659 -3.495 -9.172 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.938 -3.166 -9.150 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.516 -5.649 -10.207 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.603 -6.071 -11.675 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.161 -4.400 -11.424 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.715 -3.912 -6.923 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.575 -5.092 -7.611 1.00 10.00 H new ATOM 0 HD13 ILE A 67 9.323 -5.426 -7.633 1.00 10.00 H new ATOM 973 N LYS A 68 7.124 -4.664 -13.585 1.00 10.00 N ATOM 974 CA LYS A 68 6.986 -5.360 -14.853 1.00 10.00 C ATOM 975 C LYS A 68 8.286 -6.107 -15.164 1.00 10.00 C ATOM 976 O LYS A 68 9.048 -5.695 -16.037 1.00 10.00 O ATOM 977 CB LYS A 68 6.557 -4.387 -15.953 1.00 10.00 C ATOM 978 CG LYS A 68 5.927 -5.134 -17.131 1.00 10.00 C ATOM 979 CD LYS A 68 4.400 -5.112 -17.039 1.00 10.00 C ATOM 980 CE LYS A 68 3.768 -5.762 -18.272 1.00 10.00 C ATOM 981 NZ LYS A 68 2.292 -5.750 -18.165 1.00 10.00 N ATOM 0 H LYS A 68 7.085 -3.647 -13.650 1.00 10.00 H new ATOM 0 HA LYS A 68 6.195 -6.108 -14.794 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.843 -3.669 -15.550 1.00 10.00 H new ATOM 0 HB3 LYS A 68 7.421 -3.819 -16.298 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.245 -4.677 -18.068 1.00 10.00 H new ATOM 0 HG3 LYS A 68 6.280 -6.165 -17.143 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.078 -5.639 -16.140 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.052 -4.083 -16.947 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.078 -5.229 -19.171 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.123 -6.788 -18.372 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 1.879 -6.195 -19.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.001 -6.279 -17.318 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 1.957 -4.768 -18.092 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -7.075 2.055 -12.807 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.477 -2.523 9.414 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.292 -5.339 8.853 1.00 10.00 C HETATM 999 CHB HEC A 98 -2.013 -2.892 12.746 1.00 10.00 C HETATM 1000 CHC HEC A 98 0.730 -0.064 9.965 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.491 -1.842 6.166 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.451 -3.838 10.510 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.153 -4.930 10.172 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.459 -5.791 11.340 1.00 10.00 C HETATM 1005 C3A HEC A 98 -3.112 -5.066 12.404 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.472 -3.896 11.991 1.00 10.00 C HETATM 1007 CMA HEC A 98 -3.259 -5.517 13.906 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.232 -7.071 11.200 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.297 -8.170 10.599 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.622 -9.136 11.561 1.00 10.00 C HETATM 1011 O1A HEC A 98 -1.637 -8.659 12.135 1.00 10.00 O HETATM 1012 O2A HEC A 98 -3.075 -10.289 11.725 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.766 -1.622 11.055 1.00 10.00 N HETATM 1014 C1B HEC A 98 -1.282 -1.785 12.335 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.536 -0.856 13.179 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.298 -0.087 12.434 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.072 -0.573 11.099 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.845 -0.719 14.715 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.203 1.058 12.799 1.00 10.00 C HETATM 1020 CBB HEC A 98 2.692 0.804 12.507 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.565 -1.206 8.233 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.336 -0.242 8.570 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.773 0.627 7.550 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.179 0.094 6.460 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.714 -0.981 6.886 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.734 1.774 7.622 1.00 10.00 C HETATM 1027 CAC HEC A 98 0.046 0.634 5.003 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.814 -0.247 3.991 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.252 -3.410 7.793 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.153 -2.971 6.478 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.805 -3.860 5.634 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.287 -4.867 6.381 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.868 -4.621 7.759 1.00 10.00 C HETATM 1034 CMD HEC A 98 -2.883 -3.759 4.043 1.00 10.00 C HETATM 1035 CAD HEC A 98 -3.963 -6.147 5.832 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.051 -6.955 4.939 1.00 10.00 C HETATM 1037 CGD HEC A 98 -2.119 -7.961 5.587 1.00 10.00 C HETATM 1038 O1D HEC A 98 -2.553 -9.136 5.726 1.00 10.00 O HETATM 1039 O2D HEC A 98 -1.076 -7.467 6.069 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.365 -2.823 3.761 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -1.876 -3.788 3.627 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.461 -4.597 3.653 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.360 2.519 8.324 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.706 1.414 7.959 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.837 2.225 6.635 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.880 -0.405 14.851 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.690 -1.681 15.204 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 -0.179 0.023 15.155 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.308 -5.717 14.125 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.675 -6.422 14.073 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.896 -4.725 14.561 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.675 -7.492 4.224 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.441 -6.256 4.367 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 1.872 -0.265 4.253 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 0.417 -1.262 4.017 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.696 0.163 2.988 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 3.031 -0.064 13.073 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 2.827 0.618 11.442 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.274 1.678 12.799 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -3.883 -8.757 9.892 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.517 -7.668 10.027 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.288 -6.767 6.667 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.857 -5.869 5.274 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.611 -7.390 12.171 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.097 -6.919 10.555 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.597 -1.555 5.120 1.00 10.00 H new HETATM 0 HHC HEC A 98 1.629 0.525 10.146 1.00 10.00 H new HETATM 0 HHB HEC A 98 -2.240 -2.949 13.811 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.773 -6.300 8.671 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.520 1.525 4.731 1.00 10.00 H new HETATM 0 H2D HEC A 98 -0.809 -7.977 6.862 1.00 10.00 H new HETATM 0 H2A HEC A 98 -2.408 -10.840 12.186 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.872 2.460 -0.136 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.189 2.930 -0.706 1.00 10.00 C HETATM 1074 CHB HEC A 128 3.889 -0.083 -2.387 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.757 1.689 0.824 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.741 5.305 1.566 1.00 10.00 C HETATM 1077 NA HEC A 128 5.257 1.646 -1.277 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.561 1.924 -1.427 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.285 0.862 -2.165 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.333 0.057 -2.637 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.092 0.441 -2.123 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.572 -1.227 -3.520 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.757 0.956 -2.449 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.551 0.673 -1.132 1.00 10.00 C HETATM 1085 CGA HEC A 128 11.004 1.116 -1.066 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.597 0.729 -0.052 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.505 1.794 -1.988 1.00 10.00 O HETATM 1088 NB HEC A 128 2.545 1.062 -0.682 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.676 0.234 -1.790 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.433 -0.527 -1.858 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.549 -0.098 -0.922 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.281 0.940 -0.246 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.176 -1.571 -3.006 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.877 -0.483 -0.634 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.047 -1.409 0.582 1.00 10.00 C HETATM 1096 NC HEC A 128 2.521 3.374 1.002 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.269 2.957 1.339 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.470 3.838 2.095 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.331 4.845 2.347 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.568 4.609 1.604 1.00 10.00 C HETATM 1101 CMC HEC A 128 -0.932 3.662 2.592 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.098 6.260 2.963 1.00 10.00 C HETATM 1103 CBC HEC A 128 0.136 6.209 4.171 1.00 10.00 C HETATM 1104 ND HEC A 128 5.206 3.876 0.344 1.00 10.00 N HETATM 1105 C1D HEC A 128 4.965 5.028 1.084 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.140 5.754 1.220 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.124 5.074 0.610 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.544 3.829 0.112 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.316 7.111 2.044 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.627 5.451 0.637 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.356 4.872 1.827 1.00 10.00 C HETATM 1112 CGD HEC A 128 10.782 5.322 2.084 1.00 10.00 C HETATM 1113 O1D HEC A 128 10.936 6.387 2.740 1.00 10.00 O HETATM 1114 O2D HEC A 128 11.652 4.668 1.467 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.654 7.874 1.634 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.065 6.937 3.090 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.349 7.450 1.971 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.603 3.515 1.745 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -0.979 2.792 3.247 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.236 4.550 3.146 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.214 -1.067 -3.972 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 1.942 -2.346 -2.971 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.194 -2.025 -2.872 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.079 -0.945 -4.442 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.189 -1.938 -2.969 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.614 -1.688 -3.759 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 8.770 5.098 2.718 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 9.364 3.788 1.717 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.828 5.812 3.852 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.556 5.565 4.944 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 0.000 7.214 4.571 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.494 -2.333 0.415 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.664 -0.913 1.474 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.104 -1.638 0.720 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.018 1.153 -0.311 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 9.520 -0.401 -0.948 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 9.101 5.100 -0.279 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 8.724 6.537 0.650 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.038 0.238 -3.219 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.004 1.946 -2.831 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.671 6.293 2.022 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.123 1.280 1.321 1.00 10.00 H new HETATM 0 HHB HEC A 128 3.858 -0.849 -3.162 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.272 3.014 -0.794 1.00 10.00 H new HETATM 0 H2D HEC A 128 12.521 5.111 1.559 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.355 2.177 -1.687 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.019 -3.287 -9.264 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.458 -5.999 -7.806 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.369 -4.785 -12.292 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.087 -0.413 -10.708 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.134 -2.129 -6.284 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.751 -5.015 -9.865 1.00 10.00 N HETATM 1153 C1A HEC A 158 -3.298 -6.033 -9.184 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.987 -7.002 -10.071 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.640 -6.645 -11.308 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.925 -5.447 -11.272 1.00 10.00 C HETATM 1157 CMA HEC A 158 -4.089 -7.375 -12.631 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.678 -8.220 -9.528 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.787 -9.475 -9.797 1.00 10.00 C HETATM 1160 CGA HEC A 158 -4.449 -10.705 -10.401 1.00 10.00 C HETATM 1161 O1A HEC A 158 -4.137 -10.911 -11.579 1.00 10.00 O HETATM 1162 O2A HEC A 158 -5.216 -11.415 -9.715 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.760 -2.695 -11.159 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.754 -3.539 -12.261 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.415 -2.693 -13.402 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.112 -1.434 -12.998 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.292 -1.505 -11.572 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.280 -3.290 -14.850 1.00 10.00 C HETATM 1169 CAB HEC A 158 -0.624 -0.226 -13.752 1.00 10.00 C HETATM 1170 CBB HEC A 158 -1.319 1.088 -13.356 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.248 -1.591 -8.571 1.00 10.00 N HETATM 1172 C1C HEC A 158 -0.911 -0.465 -9.259 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.295 0.580 -8.540 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.350 0.114 -7.274 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.856 -1.258 -7.296 1.00 10.00 C HETATM 1176 CMC HEC A 158 0.192 1.911 -9.025 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.313 0.637 -5.963 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.287 1.989 -5.515 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.238 -3.935 -7.380 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.791 -3.301 -6.227 1.00 10.00 C HETATM 1181 C2D HEC A 158 -2.144 -4.049 -5.111 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.830 -5.125 -5.531 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.959 -5.016 -6.982 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.873 -3.651 -3.589 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.532 -6.156 -4.611 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.639 -7.317 -4.244 1.00 10.00 C HETATM 1187 CGD HEC A 158 -2.489 -8.451 -5.241 1.00 10.00 C HETATM 1188 O1D HEC A 158 -1.337 -8.648 -5.714 1.00 10.00 O HETATM 1189 O2D HEC A 158 -3.569 -8.962 -5.613 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.801 -3.542 -3.427 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.372 -2.708 -3.365 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -2.261 -4.431 -2.934 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.956 1.763 -9.789 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.641 2.471 -9.449 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.617 2.469 -8.191 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -0.497 -4.048 -14.859 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.226 -3.742 -15.147 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.023 -2.494 -15.549 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -3.746 -8.409 -12.610 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -5.176 -7.355 -12.707 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -3.656 -6.866 -13.492 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.645 -6.920 -4.039 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -3.011 -7.741 -3.311 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 -0.132 2.733 -6.297 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.355 1.871 -5.334 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.202 2.318 -4.598 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -2.389 1.005 -13.545 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -1.151 1.283 -12.297 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -0.909 1.908 -13.946 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.976 -9.173 -10.460 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -3.333 -9.771 -8.851 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -3.864 -5.657 -3.701 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.424 -6.534 -5.111 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.855 -8.107 -8.458 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.652 -8.342 -10.001 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.741 -1.808 -5.319 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.056 0.575 -11.168 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.402 -5.281 -13.262 1.00 10.00 H new HETATM 0 HHA HEC A 158 -4.020 -6.810 -7.342 1.00 10.00 H new HETATM 0 HAB HEC A 158 0.155 -0.278 -14.513 1.00 10.00 H new HETATM 0 H2D HEC A 158 -3.402 -9.570 -6.363 1.00 10.00 H new HETATM 0 H2A HEC A 158 -5.720 -12.015 -10.303 1.00 10.00 H new