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 41 LYS NZ :NH3+ 176:sc= 0.939 (180deg=0) USER MOD Set 1.2: A 166 HEC O2A : rot 179:sc= 0.155 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 167:sc= 0.917 (180deg=-0.131) USER MOD Set 2.2: A 153 HEC O2D : rot -70:sc= 0.0865 USER MOD Set 3.1: A 6 TYR OH : rot 71:sc= 1.05 USER MOD Set 3.2: A 130 HEC O2D : rot 2:sc= 1.25 USER MOD Set 4.1: A 1 ALA N :NH3+ -139:sc= 1.13 (180deg=-0.409!) USER MOD Set 4.2: A 130 HEC O2A : rot -80:sc= 0.46 USER MOD Set 5.1: A 51 THR OG1 : rot 176:sc= 1.73 USER MOD Set 5.2: A 54 LYS NZ :NH3+ -154:sc= 2.25 (180deg=1.15) USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 1.07 USER MOD Set 6.2: A 14 THR OG1 : rot -33:sc= 1.13 USER MOD Single : A 8 ASN : amide:sc= 1.27 K(o=1.3,f=-5.2!) USER MOD Single : A 12 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.8!) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 0.191 (180deg=-0.733!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 92:sc= 1.26 USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= 0.961 (180deg=-1.59!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -42:sc= 0.0981 USER MOD Single : A 56 ASN : amide:sc= 0.216 X(o=0.22,f=-0.057) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0572 F(o=-0.59,f=-0.057) USER MOD Single : A 60 THR OG1 : rot 61:sc= 0.298 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 153 HEC O2A : rot 180:sc= 0 USER MOD Single : A 166 HEC O2D : rot -140:sc= -0.327 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.912 -6.175 -1.742 1.00 10.00 N ATOM 2 CA ALA A 1 -10.488 -7.275 -2.629 1.00 10.00 C ATOM 3 C ALA A 1 -9.294 -8.052 -2.057 1.00 10.00 C ATOM 4 O ALA A 1 -8.154 -7.716 -2.355 1.00 10.00 O ATOM 5 CB ALA A 1 -10.181 -6.724 -4.027 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.951 -6.135 -1.710 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.542 -6.339 -0.784 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.542 -5.274 -2.106 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.310 -7.987 -2.703 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -9.868 -7.540 -4.679 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.075 -6.254 -4.437 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.381 -5.986 -3.960 1.00 10.00 H new ATOM 13 N ASP A 2 -9.562 -9.068 -1.226 1.00 10.00 N ATOM 14 CA ASP A 2 -8.596 -10.019 -0.675 1.00 10.00 C ATOM 15 C ASP A 2 -7.383 -10.300 -1.591 1.00 10.00 C ATOM 16 O ASP A 2 -7.488 -11.055 -2.552 1.00 10.00 O ATOM 17 CB ASP A 2 -9.370 -11.306 -0.352 1.00 10.00 C ATOM 18 CG ASP A 2 -10.006 -11.277 1.021 1.00 10.00 C ATOM 19 OD1 ASP A 2 -10.772 -10.346 1.342 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.713 -12.183 1.826 1.00 10.00 O ATOM 0 H ASP A 2 -10.512 -9.256 -0.904 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.149 -9.584 0.219 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -10.145 -11.457 -1.104 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.693 -12.158 -0.416 1.00 10.00 H new ATOM 25 N VAL A 3 -6.236 -9.692 -1.257 1.00 10.00 N ATOM 26 CA VAL A 3 -4.946 -9.810 -1.939 1.00 10.00 C ATOM 27 C VAL A 3 -5.012 -9.503 -3.447 1.00 10.00 C ATOM 28 O VAL A 3 -5.255 -10.379 -4.273 1.00 10.00 O ATOM 29 CB VAL A 3 -4.294 -11.162 -1.607 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.934 -11.318 -2.304 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.058 -11.300 -0.096 1.00 10.00 C ATOM 0 H VAL A 3 -6.185 -9.067 -0.453 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.294 -9.028 -1.551 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.982 -11.931 -1.958 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.502 -12.285 -2.047 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -3.069 -11.257 -3.384 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.264 -10.523 -1.977 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.596 -12.265 0.113 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.399 -10.501 0.244 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -5.011 -11.233 0.429 1.00 10.00 H new ATOM 41 N VAL A 4 -4.729 -8.248 -3.811 1.00 10.00 N ATOM 42 CA VAL A 4 -4.611 -7.806 -5.203 1.00 10.00 C ATOM 43 C VAL A 4 -3.132 -7.833 -5.620 1.00 10.00 C ATOM 44 O VAL A 4 -2.248 -7.786 -4.770 1.00 10.00 O ATOM 45 CB VAL A 4 -5.203 -6.389 -5.354 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.456 -6.017 -6.822 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.515 -6.223 -4.579 1.00 10.00 C ATOM 0 H VAL A 4 -4.573 -7.500 -3.136 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.170 -8.478 -5.854 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.451 -5.719 -4.938 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.873 -5.011 -6.876 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.516 -6.050 -7.373 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.159 -6.725 -7.261 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.893 -5.210 -4.716 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.250 -6.938 -4.950 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.337 -6.404 -3.519 1.00 10.00 H new ATOM 57 N THR A 5 -2.843 -7.858 -6.921 1.00 10.00 N ATOM 58 CA THR A 5 -1.488 -7.742 -7.466 1.00 10.00 C ATOM 59 C THR A 5 -1.537 -6.842 -8.708 1.00 10.00 C ATOM 60 O THR A 5 -2.461 -6.957 -9.503 1.00 10.00 O ATOM 61 CB THR A 5 -0.911 -9.152 -7.714 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.195 -9.586 -6.574 1.00 10.00 O ATOM 63 CG2 THR A 5 0.031 -9.250 -8.909 1.00 10.00 C ATOM 0 H THR A 5 -3.558 -7.962 -7.641 1.00 10.00 H new ATOM 0 HA THR A 5 -0.804 -7.265 -6.764 1.00 10.00 H new ATOM 0 HB THR A 5 -1.778 -9.779 -7.925 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.167 -10.482 -6.737 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.388 -10.275 -9.008 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.501 -8.962 -9.816 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.880 -8.583 -8.759 1.00 10.00 H new ATOM 71 N TYR A 6 -0.599 -5.887 -8.802 1.00 10.00 N ATOM 72 CA TYR A 6 -0.585 -4.824 -9.814 1.00 10.00 C ATOM 73 C TYR A 6 0.586 -5.006 -10.780 1.00 10.00 C ATOM 74 O TYR A 6 1.698 -4.560 -10.492 1.00 10.00 O ATOM 75 CB TYR A 6 -0.449 -3.448 -9.144 1.00 10.00 C ATOM 76 CG TYR A 6 -1.700 -2.897 -8.484 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.316 -3.609 -7.440 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.177 -1.617 -8.829 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.364 -3.024 -6.713 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.231 -1.033 -8.100 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.810 -1.734 -7.029 1.00 10.00 C ATOM 82 OH TYR A 6 -4.713 -1.139 -6.209 1.00 10.00 O ATOM 0 H TYR A 6 0.191 -5.833 -8.159 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.525 -4.882 -10.363 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.337 -3.510 -8.391 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.115 -2.733 -9.895 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.982 -4.607 -7.197 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.733 -1.082 -9.655 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.829 -3.571 -5.906 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.593 -0.050 -8.363 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.280 -0.901 -5.363 1.00 10.00 H new ATOM 92 N GLU A 7 0.360 -5.654 -11.919 1.00 10.00 N ATOM 93 CA GLU A 7 1.415 -6.167 -12.783 1.00 10.00 C ATOM 94 C GLU A 7 1.981 -5.082 -13.708 1.00 10.00 C ATOM 95 O GLU A 7 1.842 -5.125 -14.928 1.00 10.00 O ATOM 96 CB GLU A 7 0.886 -7.422 -13.490 1.00 10.00 C ATOM 97 CG GLU A 7 0.162 -8.345 -12.481 1.00 10.00 C ATOM 98 CD GLU A 7 -1.358 -8.230 -12.546 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.823 -7.069 -12.598 1.00 10.00 O ATOM 100 OE2 GLU A 7 -2.005 -9.295 -12.518 1.00 10.00 O ATOM 0 H GLU A 7 -0.579 -5.840 -12.272 1.00 10.00 H new ATOM 0 HA GLU A 7 2.285 -6.467 -12.198 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.200 -7.136 -14.288 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.712 -7.959 -13.957 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.450 -9.379 -12.672 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.496 -8.102 -11.472 1.00 10.00 H new ATOM 107 N ASN A 8 2.636 -4.100 -13.086 1.00 10.00 N ATOM 108 CA ASN A 8 3.174 -2.906 -13.722 1.00 10.00 C ATOM 109 C ASN A 8 4.597 -3.122 -14.248 1.00 10.00 C ATOM 110 O ASN A 8 5.300 -4.055 -13.853 1.00 10.00 O ATOM 111 CB ASN A 8 3.128 -1.756 -12.712 1.00 10.00 C ATOM 112 CG ASN A 8 4.115 -1.976 -11.570 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.275 -1.590 -11.652 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.703 -2.648 -10.505 1.00 10.00 N ATOM 0 H ASN A 8 2.811 -4.120 -12.081 1.00 10.00 H new ATOM 0 HA ASN A 8 2.563 -2.663 -14.592 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.357 -0.818 -13.217 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.119 -1.664 -12.310 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.353 -2.848 -9.745 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.736 -2.966 -10.445 1.00 10.00 H new ATOM 121 N ALA A 9 5.047 -2.209 -15.104 1.00 10.00 N ATOM 122 CA ALA A 9 6.330 -2.317 -15.789 1.00 10.00 C ATOM 123 C ALA A 9 7.535 -2.270 -14.843 1.00 10.00 C ATOM 124 O ALA A 9 8.617 -2.724 -15.208 1.00 10.00 O ATOM 125 CB ALA A 9 6.436 -1.203 -16.828 1.00 10.00 C ATOM 0 H ALA A 9 4.526 -1.366 -15.343 1.00 10.00 H new ATOM 0 HA ALA A 9 6.358 -3.297 -16.266 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.393 -1.277 -17.345 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.625 -1.301 -17.550 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.365 -0.235 -16.332 1.00 10.00 H new ATOM 131 N ALA A 10 7.368 -1.724 -13.633 1.00 10.00 N ATOM 132 CA ALA A 10 8.462 -1.567 -12.679 1.00 10.00 C ATOM 133 C ALA A 10 8.552 -2.733 -11.682 1.00 10.00 C ATOM 134 O ALA A 10 9.297 -2.634 -10.710 1.00 10.00 O ATOM 135 CB ALA A 10 8.310 -0.214 -11.975 1.00 10.00 C ATOM 0 H ALA A 10 6.470 -1.380 -13.292 1.00 10.00 H new ATOM 0 HA ALA A 10 9.407 -1.587 -13.223 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.121 -0.083 -11.259 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.346 0.587 -12.714 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.355 -0.182 -11.451 1.00 10.00 H new ATOM 141 N GLY A 11 7.807 -3.825 -11.900 1.00 10.00 N ATOM 142 CA GLY A 11 7.743 -4.961 -10.972 1.00 10.00 C ATOM 143 C GLY A 11 6.412 -4.963 -10.222 1.00 10.00 C ATOM 144 O GLY A 11 5.996 -3.922 -9.716 1.00 10.00 O ATOM 0 H GLY A 11 7.228 -3.945 -12.731 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.859 -5.895 -11.522 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.568 -4.905 -10.262 1.00 10.00 H new ATOM 148 N ASN A 12 5.717 -6.099 -10.131 1.00 10.00 N ATOM 149 CA ASN A 12 4.418 -6.130 -9.457 1.00 10.00 C ATOM 150 C ASN A 12 4.577 -5.870 -7.958 1.00 10.00 C ATOM 151 O ASN A 12 5.654 -6.077 -7.408 1.00 10.00 O ATOM 152 CB ASN A 12 3.585 -7.402 -9.722 1.00 10.00 C ATOM 153 CG ASN A 12 4.144 -8.361 -10.776 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.332 -8.663 -10.799 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.303 -8.887 -11.653 1.00 10.00 N ATOM 0 H ASN A 12 6.025 -6.995 -10.509 1.00 10.00 H new ATOM 0 HA ASN A 12 3.840 -5.320 -9.902 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.480 -7.946 -8.783 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.584 -7.100 -10.029 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.642 -9.547 -12.353 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.316 -8.632 -11.629 1.00 10.00 H new ATOM 162 N VAL A 13 3.517 -5.387 -7.305 1.00 10.00 N ATOM 163 CA VAL A 13 3.617 -4.910 -5.924 1.00 10.00 C ATOM 164 C VAL A 13 3.098 -5.895 -4.869 1.00 10.00 C ATOM 165 O VAL A 13 3.635 -5.964 -3.769 1.00 10.00 O ATOM 166 CB VAL A 13 2.954 -3.531 -5.826 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.430 -3.603 -5.660 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.573 -2.747 -4.671 1.00 10.00 C ATOM 0 H VAL A 13 2.583 -5.316 -7.709 1.00 10.00 H new ATOM 0 HA VAL A 13 4.676 -4.824 -5.683 1.00 10.00 H new ATOM 0 HB VAL A 13 3.137 -3.020 -6.771 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.023 -2.594 -5.597 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.995 -4.117 -6.517 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.189 -4.149 -4.748 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.101 -1.767 -4.602 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.419 -3.290 -3.739 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.642 -2.624 -4.847 1.00 10.00 H new ATOM 178 N THR A 14 2.017 -6.616 -5.191 1.00 10.00 N ATOM 179 CA THR A 14 1.203 -7.373 -4.241 1.00 10.00 C ATOM 180 C THR A 14 0.613 -6.473 -3.143 1.00 10.00 C ATOM 181 O THR A 14 1.267 -6.064 -2.190 1.00 10.00 O ATOM 182 CB THR A 14 1.920 -8.639 -3.761 1.00 10.00 C ATOM 183 OG1 THR A 14 1.889 -9.576 -4.821 1.00 10.00 O ATOM 184 CG2 THR A 14 1.224 -9.296 -2.569 1.00 10.00 C ATOM 0 H THR A 14 1.677 -6.689 -6.150 1.00 10.00 H new ATOM 0 HA THR A 14 0.323 -7.753 -4.760 1.00 10.00 H new ATOM 0 HB THR A 14 2.928 -8.356 -3.459 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.061 -9.464 -5.332 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.776 -10.188 -2.272 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.191 -8.595 -1.735 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.208 -9.574 -2.849 1.00 10.00 H new ATOM 192 N PHE A 15 -0.658 -6.131 -3.339 1.00 10.00 N ATOM 193 CA PHE A 15 -1.487 -5.324 -2.454 1.00 10.00 C ATOM 194 C PHE A 15 -2.262 -6.230 -1.483 1.00 10.00 C ATOM 195 O PHE A 15 -3.334 -6.744 -1.821 1.00 10.00 O ATOM 196 CB PHE A 15 -2.437 -4.503 -3.339 1.00 10.00 C ATOM 197 CG PHE A 15 -2.465 -3.033 -3.028 1.00 10.00 C ATOM 198 CD1 PHE A 15 -3.175 -2.576 -1.906 1.00 10.00 C ATOM 199 CD2 PHE A 15 -1.904 -2.118 -3.934 1.00 10.00 C ATOM 200 CE1 PHE A 15 -3.359 -1.199 -1.711 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.132 -0.747 -3.766 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.855 -0.285 -2.655 1.00 10.00 C ATOM 0 H PHE A 15 -1.166 -6.429 -4.172 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.878 -4.654 -1.847 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.147 -4.635 -4.381 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.446 -4.903 -3.235 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -3.578 -3.282 -1.195 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -1.299 -2.471 -4.757 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -3.886 -0.841 -0.839 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.751 -0.044 -4.492 1.00 10.00 H new ATOM 0 HZ PHE A 15 -3.025 0.774 -2.524 1.00 10.00 H new ATOM 212 N ASP A 16 -1.742 -6.442 -0.272 1.00 10.00 N ATOM 213 CA ASP A 16 -2.227 -7.480 0.629 1.00 10.00 C ATOM 214 C ASP A 16 -3.454 -6.988 1.405 1.00 10.00 C ATOM 215 O ASP A 16 -3.426 -6.813 2.624 1.00 10.00 O ATOM 216 CB ASP A 16 -1.098 -8.012 1.533 1.00 10.00 C ATOM 217 CG ASP A 16 0.300 -7.668 1.067 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.542 -6.442 1.018 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.067 -8.609 0.795 1.00 10.00 O ATOM 0 H ASP A 16 -0.970 -5.895 0.109 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.556 -8.335 0.039 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.239 -7.616 2.539 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.187 -9.096 1.602 1.00 10.00 H new ATOM 224 N HIS A 17 -4.551 -6.790 0.669 1.00 10.00 N ATOM 225 CA HIS A 17 -5.835 -6.312 1.173 1.00 10.00 C ATOM 226 C HIS A 17 -6.242 -7.018 2.468 1.00 10.00 C ATOM 227 O HIS A 17 -6.792 -6.401 3.376 1.00 10.00 O ATOM 228 CB HIS A 17 -6.904 -6.502 0.084 1.00 10.00 C ATOM 229 CG HIS A 17 -7.634 -5.230 -0.233 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.453 -4.477 -1.364 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.266 -4.443 0.688 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.944 -3.254 -1.111 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.440 -3.167 0.141 1.00 10.00 N ATOM 0 H HIS A 17 -4.566 -6.967 -0.335 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.740 -5.253 1.413 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.432 -6.881 -0.822 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.620 -7.256 0.410 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.025 -4.788 -2.236 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.579 -4.754 1.674 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.942 -2.440 -1.821 1.00 10.00 H new ATOM 241 N LYS A 18 -5.936 -8.317 2.527 1.00 10.00 N ATOM 242 CA LYS A 18 -6.075 -9.142 3.713 1.00 10.00 C ATOM 243 C LYS A 18 -4.837 -9.058 4.621 1.00 10.00 C ATOM 244 O LYS A 18 -4.939 -8.560 5.732 1.00 10.00 O ATOM 245 CB LYS A 18 -6.406 -10.574 3.270 1.00 10.00 C ATOM 246 CG LYS A 18 -7.287 -11.321 4.280 1.00 10.00 C ATOM 247 CD LYS A 18 -8.658 -10.633 4.426 1.00 10.00 C ATOM 248 CE LYS A 18 -9.778 -11.620 4.790 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.985 -11.354 3.978 1.00 10.00 N ATOM 0 H LYS A 18 -5.575 -8.831 1.723 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.894 -8.772 4.329 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.913 -10.543 2.306 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.479 -11.128 3.125 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.426 -12.352 3.955 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -6.788 -11.356 5.248 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.594 -9.862 5.194 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.910 -10.131 3.492 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.438 -12.642 4.624 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.018 -11.532 5.850 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -11.835 -11.540 4.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.985 -10.360 3.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -10.986 -11.975 3.143 1.00 10.00 H new ATOM 263 N ALA A 19 -3.659 -9.523 4.183 1.00 10.00 N ATOM 264 CA ALA A 19 -2.511 -9.719 5.073 1.00 10.00 C ATOM 265 C ALA A 19 -2.086 -8.449 5.818 1.00 10.00 C ATOM 266 O ALA A 19 -1.772 -8.512 7.005 1.00 10.00 O ATOM 267 CB ALA A 19 -1.322 -10.290 4.303 1.00 10.00 C ATOM 0 H ALA A 19 -3.478 -9.771 3.210 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.841 -10.431 5.829 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.481 -10.428 4.982 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.598 -11.250 3.868 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.038 -9.600 3.509 1.00 10.00 H new ATOM 273 N HIS A 20 -2.105 -7.287 5.149 1.00 10.00 N ATOM 274 CA HIS A 20 -1.919 -6.029 5.861 1.00 10.00 C ATOM 275 C HIS A 20 -3.019 -5.885 6.930 1.00 10.00 C ATOM 276 O HIS A 20 -2.727 -5.711 8.110 1.00 10.00 O ATOM 277 CB HIS A 20 -1.920 -4.828 4.897 1.00 10.00 C ATOM 278 CG HIS A 20 -0.597 -4.435 4.269 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.117 -4.880 3.060 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.198 -3.372 4.642 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.926 -4.109 2.730 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.173 -3.170 3.655 1.00 10.00 N ATOM 0 H HIS A 20 -2.244 -7.198 4.142 1.00 10.00 H new ATOM 0 HA HIS A 20 -0.944 -6.041 6.348 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.624 -5.042 4.093 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.306 -3.963 5.437 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.488 -5.657 2.514 1.00 10.00 H new ATOM 0 HD2 HIS A 20 0.088 -2.791 5.546 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.502 -4.229 1.824 1.00 10.00 H new ATOM 290 N ALA A 21 -4.291 -5.993 6.528 1.00 10.00 N ATOM 291 CA ALA A 21 -5.447 -5.892 7.418 1.00 10.00 C ATOM 292 C ALA A 21 -5.409 -6.832 8.628 1.00 10.00 C ATOM 293 O ALA A 21 -5.802 -6.420 9.715 1.00 10.00 O ATOM 294 CB ALA A 21 -6.737 -6.117 6.638 1.00 10.00 C ATOM 0 H ALA A 21 -4.547 -6.156 5.554 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.409 -4.880 7.821 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.589 -6.039 7.313 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.825 -5.364 5.855 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.721 -7.109 6.187 1.00 10.00 H new ATOM 300 N GLU A 22 -4.924 -8.064 8.474 1.00 10.00 N ATOM 301 CA GLU A 22 -4.766 -8.993 9.590 1.00 10.00 C ATOM 302 C GLU A 22 -3.957 -8.385 10.759 1.00 10.00 C ATOM 303 O GLU A 22 -4.139 -8.782 11.908 1.00 10.00 O ATOM 304 CB GLU A 22 -4.159 -10.311 9.085 1.00 10.00 C ATOM 305 CG GLU A 22 -5.025 -11.059 8.047 1.00 10.00 C ATOM 306 CD GLU A 22 -6.475 -11.285 8.465 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.667 -11.852 9.560 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.360 -10.912 7.664 1.00 10.00 O ATOM 0 H GLU A 22 -4.631 -8.444 7.574 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.754 -9.202 10.001 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.185 -10.102 8.643 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.988 -10.968 9.938 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.015 -10.496 7.113 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.566 -12.026 7.842 1.00 10.00 H new ATOM 315 N LYS A 23 -3.084 -7.404 10.483 1.00 10.00 N ATOM 316 CA LYS A 23 -2.399 -6.594 11.487 1.00 10.00 C ATOM 317 C LYS A 23 -3.028 -5.193 11.654 1.00 10.00 C ATOM 318 O LYS A 23 -3.198 -4.716 12.772 1.00 10.00 O ATOM 319 CB LYS A 23 -0.922 -6.512 11.082 1.00 10.00 C ATOM 320 CG LYS A 23 -0.202 -7.826 11.416 1.00 10.00 C ATOM 321 CD LYS A 23 1.255 -7.784 10.937 1.00 10.00 C ATOM 322 CE LYS A 23 2.054 -8.954 11.526 1.00 10.00 C ATOM 323 NZ LYS A 23 3.446 -8.935 11.032 1.00 10.00 N ATOM 0 H LYS A 23 -2.832 -7.150 9.528 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.500 -7.065 12.465 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.842 -6.307 10.014 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.441 -5.684 11.602 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.231 -7.999 12.492 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.721 -8.661 10.945 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.286 -7.827 9.848 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.713 -6.840 11.232 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.048 -8.894 12.614 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.580 -9.898 11.256 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.025 -9.587 11.599 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.465 -9.232 10.036 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.830 -7.972 11.113 1.00 10.00 H new ATOM 337 N LEU A 24 -3.343 -4.517 10.546 1.00 10.00 N ATOM 338 CA LEU A 24 -3.765 -3.116 10.494 1.00 10.00 C ATOM 339 C LEU A 24 -5.251 -2.865 10.820 1.00 10.00 C ATOM 340 O LEU A 24 -5.608 -1.786 11.285 1.00 10.00 O ATOM 341 CB LEU A 24 -3.445 -2.567 9.099 1.00 10.00 C ATOM 342 CG LEU A 24 -1.960 -2.471 8.713 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.877 -1.624 7.439 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.100 -1.805 9.791 1.00 10.00 C ATOM 0 H LEU A 24 -3.309 -4.949 9.623 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.212 -2.600 11.279 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.947 -3.196 8.364 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.882 -1.572 9.018 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.577 -3.483 8.578 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.836 -1.531 7.131 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.449 -2.104 6.645 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.287 -0.633 7.634 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.063 -1.768 9.458 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.460 -0.792 9.969 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.164 -2.381 10.714 1.00 10.00 H new ATOM 356 N GLY A 25 -6.133 -3.826 10.544 1.00 10.00 N ATOM 357 CA GLY A 25 -7.545 -3.786 10.924 1.00 10.00 C ATOM 358 C GLY A 25 -8.447 -2.883 10.078 1.00 10.00 C ATOM 359 O GLY A 25 -9.363 -2.279 10.621 1.00 10.00 O ATOM 0 H GLY A 25 -5.879 -4.674 10.038 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -7.940 -4.801 10.882 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.611 -3.461 11.962 1.00 10.00 H new ATOM 363 N CYS A 26 -8.209 -2.815 8.761 1.00 10.00 N ATOM 364 CA CYS A 26 -8.905 -1.989 7.756 1.00 10.00 C ATOM 365 C CYS A 26 -8.799 -0.474 8.010 1.00 10.00 C ATOM 366 O CYS A 26 -8.323 0.251 7.136 1.00 10.00 O ATOM 367 CB CYS A 26 -10.351 -2.383 7.560 1.00 10.00 C ATOM 368 SG CYS A 26 -10.681 -4.146 7.238 1.00 10.00 S ATOM 0 H CYS A 26 -7.471 -3.376 8.335 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.368 -2.200 6.831 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.908 -2.089 8.450 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.752 -1.804 6.728 1.00 10.00 H new ATOM 373 N ASP A 27 -9.242 0.001 9.181 1.00 10.00 N ATOM 374 CA ASP A 27 -9.291 1.383 9.645 1.00 10.00 C ATOM 375 C ASP A 27 -8.045 2.160 9.228 1.00 10.00 C ATOM 376 O ASP A 27 -8.121 3.244 8.650 1.00 10.00 O ATOM 377 CB ASP A 27 -9.449 1.372 11.173 1.00 10.00 C ATOM 378 CG ASP A 27 -10.857 1.012 11.623 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.468 0.144 10.965 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.294 1.620 12.623 1.00 10.00 O ATOM 0 H ASP A 27 -9.608 -0.636 9.889 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.140 1.890 9.186 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.744 0.659 11.600 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.188 2.354 11.567 1.00 10.00 H new ATOM 385 N ALA A 28 -6.892 1.535 9.470 1.00 10.00 N ATOM 386 CA ALA A 28 -5.568 1.983 9.060 1.00 10.00 C ATOM 387 C ALA A 28 -5.487 2.621 7.661 1.00 10.00 C ATOM 388 O ALA A 28 -4.690 3.532 7.447 1.00 10.00 O ATOM 389 CB ALA A 28 -4.677 0.753 9.102 1.00 10.00 C ATOM 0 H ALA A 28 -6.859 0.655 9.985 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.262 2.779 9.739 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.665 1.026 8.803 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.660 0.351 10.115 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.066 -0.002 8.418 1.00 10.00 H new ATOM 395 N CYS A 29 -6.276 2.117 6.705 1.00 10.00 N ATOM 396 CA CYS A 29 -6.316 2.583 5.319 1.00 10.00 C ATOM 397 C CYS A 29 -7.677 3.199 4.938 1.00 10.00 C ATOM 398 O CYS A 29 -7.877 3.600 3.791 1.00 10.00 O ATOM 399 CB CYS A 29 -6.037 1.409 4.417 1.00 10.00 C ATOM 400 SG CYS A 29 -4.378 0.665 4.635 1.00 10.00 S ATOM 0 H CYS A 29 -6.924 1.349 6.883 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.565 3.365 5.205 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.792 0.643 4.594 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.145 1.729 3.381 1.00 10.00 H new ATOM 405 N HIS A 30 -8.644 3.227 5.858 1.00 10.00 N ATOM 406 CA HIS A 30 -10.053 3.387 5.527 1.00 10.00 C ATOM 407 C HIS A 30 -10.865 3.944 6.703 1.00 10.00 C ATOM 408 O HIS A 30 -11.241 3.194 7.599 1.00 10.00 O ATOM 409 CB HIS A 30 -10.588 2.004 5.126 1.00 10.00 C ATOM 410 CG HIS A 30 -10.152 1.487 3.789 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.169 2.168 2.603 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.834 0.197 3.510 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.843 1.297 1.625 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.629 0.070 2.125 1.00 10.00 N ATOM 0 H HIS A 30 -8.465 3.138 6.858 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.153 4.105 4.713 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.284 1.285 5.887 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.677 2.041 5.140 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.389 3.156 2.480 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.752 -0.601 4.233 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.765 1.553 0.579 1.00 10.00 H new ATOM 422 N GLU A 31 -11.202 5.234 6.672 1.00 10.00 N ATOM 423 CA GLU A 31 -11.890 5.900 7.770 1.00 10.00 C ATOM 424 C GLU A 31 -13.336 5.405 7.983 1.00 10.00 C ATOM 425 O GLU A 31 -14.302 6.061 7.591 1.00 10.00 O ATOM 426 CB GLU A 31 -11.823 7.417 7.549 1.00 10.00 C ATOM 427 CG GLU A 31 -10.374 7.933 7.547 1.00 10.00 C ATOM 428 CD GLU A 31 -10.310 9.440 7.342 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.471 10.157 8.352 1.00 10.00 O ATOM 430 OE2 GLU A 31 -10.108 9.840 6.175 1.00 10.00 O ATOM 0 H GLU A 31 -11.003 5.845 5.880 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.376 5.643 8.696 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.299 7.667 6.601 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.388 7.923 8.332 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.895 7.674 8.491 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.812 7.435 6.757 1.00 10.00 H new ATOM 437 N GLY A 32 -13.499 4.236 8.609 1.00 10.00 N ATOM 438 CA GLY A 32 -14.791 3.647 8.956 1.00 10.00 C ATOM 439 C GLY A 32 -15.511 3.051 7.742 1.00 10.00 C ATOM 440 O GLY A 32 -15.777 1.853 7.695 1.00 10.00 O ATOM 0 H GLY A 32 -12.710 3.657 8.896 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.642 2.868 9.704 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.423 4.409 9.411 1.00 10.00 H new ATOM 444 N THR A 33 -15.821 3.887 6.748 1.00 10.00 N ATOM 445 CA THR A 33 -16.388 3.466 5.467 1.00 10.00 C ATOM 446 C THR A 33 -15.259 3.136 4.481 1.00 10.00 C ATOM 447 O THR A 33 -14.604 4.058 3.994 1.00 10.00 O ATOM 448 CB THR A 33 -17.282 4.582 4.898 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.325 4.864 5.803 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.930 4.171 3.572 1.00 10.00 C ATOM 0 H THR A 33 -15.682 4.895 6.814 1.00 10.00 H new ATOM 0 HA THR A 33 -16.995 2.573 5.620 1.00 10.00 H new ATOM 0 HB THR A 33 -16.644 5.451 4.738 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.891 5.576 5.438 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.553 4.986 3.203 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.153 3.949 2.841 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.546 3.285 3.727 1.00 10.00 H new ATOM 458 N PRO A 34 -15.001 1.859 4.154 1.00 10.00 N ATOM 459 CA PRO A 34 -14.007 1.520 3.152 1.00 10.00 C ATOM 460 C PRO A 34 -14.519 1.856 1.748 1.00 10.00 C ATOM 461 O PRO A 34 -15.724 1.868 1.501 1.00 10.00 O ATOM 462 CB PRO A 34 -13.772 0.023 3.319 1.00 10.00 C ATOM 463 CG PRO A 34 -15.146 -0.482 3.757 1.00 10.00 C ATOM 464 CD PRO A 34 -15.660 0.654 4.643 1.00 10.00 C ATOM 0 HA PRO A 34 -13.083 2.085 3.277 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.446 -0.443 2.389 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.006 -0.186 4.066 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.802 -0.658 2.905 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.075 -1.422 4.305 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.744 0.745 4.575 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.420 0.473 5.691 1.00 10.00 H new ATOM 472 N ALA A 35 -13.597 2.133 0.825 1.00 10.00 N ATOM 473 CA ALA A 35 -13.916 2.564 -0.530 1.00 10.00 C ATOM 474 C ALA A 35 -12.688 2.418 -1.437 1.00 10.00 C ATOM 475 O ALA A 35 -11.613 2.030 -0.979 1.00 10.00 O ATOM 476 CB ALA A 35 -14.413 4.016 -0.488 1.00 10.00 C ATOM 0 H ALA A 35 -12.595 2.062 1.003 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.704 1.936 -0.944 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.654 4.347 -1.498 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.304 4.078 0.137 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.634 4.655 -0.073 1.00 10.00 H new ATOM 482 N LYS A 36 -12.846 2.732 -2.725 1.00 10.00 N ATOM 483 CA LYS A 36 -11.734 2.764 -3.670 1.00 10.00 C ATOM 484 C LYS A 36 -10.894 4.036 -3.468 1.00 10.00 C ATOM 485 O LYS A 36 -11.392 5.041 -2.961 1.00 10.00 O ATOM 486 CB LYS A 36 -12.251 2.668 -5.110 1.00 10.00 C ATOM 487 CG LYS A 36 -13.153 1.442 -5.334 1.00 10.00 C ATOM 488 CD LYS A 36 -13.891 1.549 -6.675 1.00 10.00 C ATOM 489 CE LYS A 36 -14.969 0.459 -6.766 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.753 0.571 -8.016 1.00 10.00 N ATOM 0 H LYS A 36 -13.747 2.970 -3.139 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.093 1.902 -3.484 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -12.807 3.573 -5.354 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.404 2.621 -5.794 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -12.551 0.533 -5.316 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.875 1.362 -4.521 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -14.348 2.534 -6.771 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.185 1.444 -7.498 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.499 -0.523 -6.717 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.638 0.535 -5.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -16.471 -0.181 -8.044 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -16.221 1.499 -8.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.118 0.473 -8.834 1.00 10.00 H new ATOM 504 N ILE A 37 -9.616 3.989 -3.849 1.00 10.00 N ATOM 505 CA ILE A 37 -8.645 5.069 -3.671 1.00 10.00 C ATOM 506 C ILE A 37 -7.766 5.119 -4.926 1.00 10.00 C ATOM 507 O ILE A 37 -7.397 4.072 -5.452 1.00 10.00 O ATOM 508 CB ILE A 37 -7.799 4.809 -2.404 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.675 4.809 -1.134 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.663 5.839 -2.282 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.919 4.425 0.143 1.00 10.00 C ATOM 0 H ILE A 37 -9.215 3.170 -4.306 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.147 6.028 -3.539 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.354 3.819 -2.502 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.108 5.801 -1.004 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.504 4.115 -1.276 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.082 5.635 -1.383 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.015 5.771 -3.156 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.086 6.842 -2.221 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.603 4.448 0.992 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.509 3.421 0.035 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.107 5.132 0.312 1.00 10.00 H new ATOM 523 N ALA A 38 -7.424 6.312 -5.420 1.00 10.00 N ATOM 524 CA ALA A 38 -6.566 6.424 -6.595 1.00 10.00 C ATOM 525 C ALA A 38 -5.106 6.070 -6.288 1.00 10.00 C ATOM 526 O ALA A 38 -4.390 6.807 -5.612 1.00 10.00 O ATOM 527 CB ALA A 38 -6.670 7.810 -7.215 1.00 10.00 C ATOM 0 H ALA A 38 -7.726 7.204 -5.027 1.00 10.00 H new ATOM 0 HA ALA A 38 -6.925 5.693 -7.320 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.021 7.867 -8.089 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.701 7.998 -7.516 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.363 8.559 -6.485 1.00 10.00 H new ATOM 533 N ILE A 39 -4.678 4.928 -6.814 1.00 10.00 N ATOM 534 CA ILE A 39 -3.320 4.407 -6.759 1.00 10.00 C ATOM 535 C ILE A 39 -2.639 4.559 -8.123 1.00 10.00 C ATOM 536 O ILE A 39 -3.156 4.075 -9.127 1.00 10.00 O ATOM 537 CB ILE A 39 -3.415 2.935 -6.343 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.034 2.794 -4.941 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.068 2.208 -6.440 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.300 3.569 -3.831 1.00 10.00 C ATOM 0 H ILE A 39 -5.308 4.305 -7.320 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.716 4.959 -6.039 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.080 2.447 -7.055 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.069 3.135 -4.980 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.056 1.738 -4.673 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.192 1.169 -6.134 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.709 2.243 -7.469 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.344 2.695 -5.786 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.808 3.410 -2.880 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.272 3.214 -3.758 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.300 4.633 -4.069 1.00 10.00 H new ATOM 552 N ASP A 40 -1.472 5.210 -8.147 1.00 10.00 N ATOM 553 CA ASP A 40 -0.679 5.395 -9.352 1.00 10.00 C ATOM 554 C ASP A 40 0.799 5.675 -9.025 1.00 10.00 C ATOM 555 O ASP A 40 1.216 5.777 -7.863 1.00 10.00 O ATOM 556 CB ASP A 40 -1.299 6.529 -10.200 1.00 10.00 C ATOM 557 CG ASP A 40 -0.822 7.915 -9.793 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.721 8.150 -8.568 1.00 10.00 O ATOM 559 OD2 ASP A 40 -0.474 8.694 -10.704 1.00 10.00 O ATOM 0 H ASP A 40 -1.052 5.626 -7.316 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.695 4.471 -9.929 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.056 6.363 -11.250 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.385 6.486 -10.113 1.00 10.00 H new ATOM 564 N LYS A 41 1.560 5.918 -10.091 1.00 10.00 N ATOM 565 CA LYS A 41 2.939 6.380 -10.096 1.00 10.00 C ATOM 566 C LYS A 41 3.140 7.842 -9.635 1.00 10.00 C ATOM 567 O LYS A 41 4.142 8.469 -9.970 1.00 10.00 O ATOM 568 CB LYS A 41 3.603 6.023 -11.436 1.00 10.00 C ATOM 569 CG LYS A 41 2.869 6.422 -12.734 1.00 10.00 C ATOM 570 CD LYS A 41 1.864 5.356 -13.229 1.00 10.00 C ATOM 571 CE LYS A 41 1.636 5.362 -14.747 1.00 10.00 C ATOM 572 NZ LYS A 41 2.754 4.734 -15.483 1.00 10.00 N ATOM 0 H LYS A 41 1.201 5.787 -11.037 1.00 10.00 H new ATOM 0 HA LYS A 41 3.469 5.837 -9.314 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.590 6.486 -11.454 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.756 4.944 -11.456 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.339 7.360 -12.568 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.605 6.606 -13.516 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.221 4.370 -12.931 1.00 10.00 H new ATOM 0 HD3 LYS A 41 0.908 5.514 -12.729 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.711 4.833 -14.976 1.00 10.00 H new ATOM 0 HE3 LYS A 41 1.509 6.389 -15.089 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.526 4.700 -16.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.620 5.292 -15.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.903 3.768 -15.129 1.00 10.00 H new ATOM 586 N LYS A 42 2.235 8.361 -8.796 1.00 10.00 N ATOM 587 CA LYS A 42 2.407 9.557 -7.976 1.00 10.00 C ATOM 588 C LYS A 42 1.956 9.220 -6.547 1.00 10.00 C ATOM 589 O LYS A 42 2.744 9.197 -5.597 1.00 10.00 O ATOM 590 CB LYS A 42 1.545 10.702 -8.540 1.00 10.00 C ATOM 591 CG LYS A 42 1.972 11.179 -9.932 1.00 10.00 C ATOM 592 CD LYS A 42 0.802 11.958 -10.544 1.00 10.00 C ATOM 593 CE LYS A 42 1.214 12.634 -11.856 1.00 10.00 C ATOM 594 NZ LYS A 42 0.037 13.196 -12.551 1.00 10.00 N ATOM 0 H LYS A 42 1.318 7.933 -8.667 1.00 10.00 H new ATOM 0 HA LYS A 42 3.450 9.874 -7.979 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.507 10.373 -8.583 1.00 10.00 H new ATOM 0 HB3 LYS A 42 1.584 11.545 -7.851 1.00 10.00 H new ATOM 0 HG2 LYS A 42 2.857 11.812 -9.863 1.00 10.00 H new ATOM 0 HG3 LYS A 42 2.236 10.329 -10.562 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.033 11.282 -10.727 1.00 10.00 H new ATOM 0 HD3 LYS A 42 0.454 12.711 -9.837 1.00 10.00 H new ATOM 0 HE2 LYS A 42 1.933 13.427 -11.651 1.00 10.00 H new ATOM 0 HE3 LYS A 42 1.712 11.911 -12.502 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 0.340 13.649 -13.437 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -0.637 12.433 -12.765 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.422 13.902 -11.941 1.00 10.00 H new ATOM 608 N SER A 43 0.666 8.912 -6.412 1.00 10.00 N ATOM 609 CA SER A 43 -0.045 8.690 -5.163 1.00 10.00 C ATOM 610 C SER A 43 0.673 7.662 -4.290 1.00 10.00 C ATOM 611 O SER A 43 0.951 7.931 -3.120 1.00 10.00 O ATOM 612 CB SER A 43 -1.493 8.273 -5.474 1.00 10.00 C ATOM 613 OG SER A 43 -2.035 9.110 -6.480 1.00 10.00 O ATOM 0 H SER A 43 0.057 8.806 -7.223 1.00 10.00 H new ATOM 0 HA SER A 43 -0.066 9.617 -4.590 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.518 7.234 -5.802 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.100 8.337 -4.571 1.00 10.00 H new ATOM 0 HG SER A 43 -1.873 8.711 -7.360 1.00 10.00 H new ATOM 619 N ALA A 44 1.034 6.511 -4.878 1.00 10.00 N ATOM 620 CA ALA A 44 1.685 5.420 -4.151 1.00 10.00 C ATOM 621 C ALA A 44 3.160 5.699 -3.808 1.00 10.00 C ATOM 622 O ALA A 44 3.812 4.860 -3.186 1.00 10.00 O ATOM 623 CB ALA A 44 1.540 4.128 -4.961 1.00 10.00 C ATOM 0 H ALA A 44 0.882 6.315 -5.867 1.00 10.00 H new ATOM 0 HA ALA A 44 1.183 5.320 -3.189 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.022 3.308 -4.428 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.483 3.901 -5.097 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.012 4.254 -5.935 1.00 10.00 H new ATOM 629 N HIS A 45 3.698 6.854 -4.227 1.00 10.00 N ATOM 630 CA HIS A 45 5.105 7.224 -4.070 1.00 10.00 C ATOM 631 C HIS A 45 5.296 8.489 -3.224 1.00 10.00 C ATOM 632 O HIS A 45 6.377 8.696 -2.677 1.00 10.00 O ATOM 633 CB HIS A 45 5.750 7.375 -5.451 1.00 10.00 C ATOM 634 CG HIS A 45 5.567 6.135 -6.279 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.404 5.792 -6.920 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.398 5.045 -6.311 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.543 4.528 -7.338 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.742 4.020 -7.000 1.00 10.00 N ATOM 0 H HIS A 45 3.148 7.573 -4.697 1.00 10.00 H new ATOM 0 HA HIS A 45 5.602 6.423 -3.523 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.311 8.228 -5.968 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.814 7.585 -5.337 1.00 10.00 H new ATOM 0 HD1 HIS A 45 3.587 6.388 -7.053 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.386 4.988 -5.880 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.785 3.982 -7.880 1.00 10.00 H new ATOM 646 N LYS A 46 4.252 9.312 -3.075 1.00 10.00 N ATOM 647 CA LYS A 46 4.303 10.523 -2.263 1.00 10.00 C ATOM 648 C LYS A 46 3.930 10.204 -0.805 1.00 10.00 C ATOM 649 O LYS A 46 4.794 10.199 0.078 1.00 10.00 O ATOM 650 CB LYS A 46 3.405 11.602 -2.898 1.00 10.00 C ATOM 651 CG LYS A 46 3.824 13.010 -2.445 1.00 10.00 C ATOM 652 CD LYS A 46 2.811 14.073 -2.907 1.00 10.00 C ATOM 653 CE LYS A 46 1.637 14.210 -1.927 1.00 10.00 C ATOM 654 NZ LYS A 46 2.039 14.917 -0.693 1.00 10.00 N ATOM 0 H LYS A 46 3.347 9.152 -3.518 1.00 10.00 H new ATOM 0 HA LYS A 46 5.318 10.921 -2.238 1.00 10.00 H new ATOM 0 HB2 LYS A 46 3.463 11.534 -3.984 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.366 11.423 -2.622 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.909 13.034 -1.359 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.809 13.245 -2.847 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.314 15.035 -3.007 1.00 10.00 H new ATOM 0 HD3 LYS A 46 2.431 13.808 -3.894 1.00 10.00 H new ATOM 0 HE2 LYS A 46 0.822 14.751 -2.408 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.257 13.221 -1.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.734 14.369 0.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.073 15.025 -0.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.593 15.856 -0.670 1.00 10.00 H new ATOM 668 N ASP A 47 2.639 9.931 -0.573 1.00 10.00 N ATOM 669 CA ASP A 47 2.047 9.755 0.738 1.00 10.00 C ATOM 670 C ASP A 47 1.216 8.469 0.874 1.00 10.00 C ATOM 671 O ASP A 47 1.397 7.754 1.861 1.00 10.00 O ATOM 672 CB ASP A 47 1.216 11.002 1.053 1.00 10.00 C ATOM 673 CG ASP A 47 2.045 12.170 1.562 1.00 10.00 C ATOM 674 OD1 ASP A 47 3.017 11.922 2.307 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.693 13.307 1.184 1.00 10.00 O ATOM 0 H ASP A 47 1.962 9.825 -1.329 1.00 10.00 H new ATOM 0 HA ASP A 47 2.851 9.637 1.465 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.682 11.310 0.154 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.463 10.748 1.799 1.00 10.00 H new ATOM 680 N ALA A 48 0.314 8.151 -0.067 1.00 10.00 N ATOM 681 CA ALA A 48 -0.491 6.937 0.049 1.00 10.00 C ATOM 682 C ALA A 48 0.430 5.719 0.160 1.00 10.00 C ATOM 683 O ALA A 48 1.350 5.565 -0.644 1.00 10.00 O ATOM 684 CB ALA A 48 -1.464 6.799 -1.125 1.00 10.00 C ATOM 0 H ALA A 48 0.129 8.709 -0.900 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.095 7.001 0.954 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.048 5.886 -1.008 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.134 7.658 -1.145 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.904 6.755 -2.059 1.00 10.00 H new ATOM 690 N CYS A 49 0.238 4.914 1.212 1.00 10.00 N ATOM 691 CA CYS A 49 1.098 3.787 1.584 1.00 10.00 C ATOM 692 C CYS A 49 2.453 4.243 2.113 1.00 10.00 C ATOM 693 O CYS A 49 2.780 4.012 3.281 1.00 10.00 O ATOM 694 CB CYS A 49 1.223 2.790 0.461 1.00 10.00 C ATOM 695 SG CYS A 49 -0.456 2.251 0.034 1.00 10.00 S ATOM 0 H CYS A 49 -0.549 5.035 1.850 1.00 10.00 H new ATOM 0 HA CYS A 49 0.610 3.271 2.411 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.713 3.241 -0.402 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.834 1.941 0.767 1.00 10.00 H new ATOM 700 N LYS A 50 3.225 4.928 1.263 1.00 10.00 N ATOM 701 CA LYS A 50 4.488 5.543 1.620 1.00 10.00 C ATOM 702 C LYS A 50 4.494 6.101 3.041 1.00 10.00 C ATOM 703 O LYS A 50 5.256 5.609 3.859 1.00 10.00 O ATOM 704 CB LYS A 50 4.814 6.630 0.600 1.00 10.00 C ATOM 705 CG LYS A 50 5.351 6.008 -0.690 1.00 10.00 C ATOM 706 CD LYS A 50 6.867 6.206 -0.855 1.00 10.00 C ATOM 707 CE LYS A 50 7.687 5.468 0.210 1.00 10.00 C ATOM 708 NZ LYS A 50 9.138 5.664 -0.008 1.00 10.00 N ATOM 0 H LYS A 50 2.974 5.068 0.284 1.00 10.00 H new ATOM 0 HA LYS A 50 5.259 4.772 1.601 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.920 7.215 0.384 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.552 7.317 1.015 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.125 4.942 -0.697 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.836 6.449 -1.543 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.168 5.858 -1.843 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.096 7.271 -0.809 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.412 5.830 1.201 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.452 4.404 0.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.671 5.155 0.726 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.401 5.297 -0.945 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.363 6.678 0.042 1.00 10.00 H new ATOM 722 N THR A 51 3.678 7.103 3.360 1.00 10.00 N ATOM 723 CA THR A 51 3.741 7.785 4.658 1.00 10.00 C ATOM 724 C THR A 51 3.411 6.898 5.866 1.00 10.00 C ATOM 725 O THR A 51 3.833 7.214 6.975 1.00 10.00 O ATOM 726 CB THR A 51 2.984 9.118 4.599 1.00 10.00 C ATOM 727 OG1 THR A 51 3.763 9.925 3.745 1.00 10.00 O ATOM 728 CG2 THR A 51 2.900 9.851 5.939 1.00 10.00 C ATOM 0 H THR A 51 2.959 7.466 2.734 1.00 10.00 H new ATOM 0 HA THR A 51 4.787 8.027 4.847 1.00 10.00 H new ATOM 0 HB THR A 51 1.959 8.929 4.280 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.307 10.780 3.597 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.350 10.783 5.810 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.385 9.223 6.666 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.906 10.070 6.297 1.00 10.00 H new ATOM 736 N CYS A 52 2.761 5.745 5.668 1.00 10.00 N ATOM 737 CA CYS A 52 2.722 4.726 6.718 1.00 10.00 C ATOM 738 C CYS A 52 4.098 4.064 6.827 1.00 10.00 C ATOM 739 O CYS A 52 4.751 4.120 7.866 1.00 10.00 O ATOM 740 CB CYS A 52 1.629 3.734 6.433 1.00 10.00 C ATOM 741 SG CYS A 52 1.525 2.522 7.780 1.00 10.00 S ATOM 0 H CYS A 52 2.266 5.499 4.811 1.00 10.00 H new ATOM 0 HA CYS A 52 2.493 5.182 7.681 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.676 4.252 6.324 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.825 3.225 5.489 1.00 10.00 H new ATOM 746 N HIS A 53 4.592 3.507 5.718 1.00 10.00 N ATOM 747 CA HIS A 53 5.931 2.931 5.639 1.00 10.00 C ATOM 748 C HIS A 53 7.031 3.845 6.245 1.00 10.00 C ATOM 749 O HIS A 53 7.841 3.376 7.050 1.00 10.00 O ATOM 750 CB HIS A 53 6.195 2.542 4.178 1.00 10.00 C ATOM 751 CG HIS A 53 5.541 1.264 3.717 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.947 0.536 2.631 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.418 0.656 4.210 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.084 -0.486 2.477 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.126 -0.474 3.420 1.00 10.00 N ATOM 0 H HIS A 53 4.068 3.444 4.845 1.00 10.00 H new ATOM 0 HA HIS A 53 5.976 2.037 6.261 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.855 3.355 3.537 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.272 2.451 4.034 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.758 0.733 2.044 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.848 0.988 5.065 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.153 -1.225 1.692 1.00 10.00 H new ATOM 763 N LYS A 54 7.032 5.142 5.894 1.00 10.00 N ATOM 764 CA LYS A 54 7.887 6.212 6.430 1.00 10.00 C ATOM 765 C LYS A 54 7.948 6.236 7.965 1.00 10.00 C ATOM 766 O LYS A 54 8.961 6.639 8.529 1.00 10.00 O ATOM 767 CB LYS A 54 7.432 7.580 5.931 1.00 10.00 C ATOM 768 CG LYS A 54 7.588 7.731 4.417 1.00 10.00 C ATOM 769 CD LYS A 54 7.741 9.215 4.094 1.00 10.00 C ATOM 770 CE LYS A 54 7.375 9.580 2.637 1.00 10.00 C ATOM 771 NZ LYS A 54 6.022 10.188 2.499 1.00 10.00 N ATOM 0 H LYS A 54 6.393 5.493 5.181 1.00 10.00 H new ATOM 0 HA LYS A 54 8.889 5.991 6.063 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.388 7.734 6.203 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.010 8.357 6.432 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.458 7.175 4.068 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.720 7.319 3.903 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.111 9.791 4.772 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.772 9.514 4.285 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.119 10.275 2.247 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.425 8.681 2.022 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.657 10.009 1.542 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.379 9.766 3.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 6.084 11.214 2.660 1.00 10.00 H new ATOM 785 N SER A 55 6.886 5.788 8.645 1.00 10.00 N ATOM 786 CA SER A 55 6.834 5.696 10.103 1.00 10.00 C ATOM 787 C SER A 55 7.730 4.570 10.659 1.00 10.00 C ATOM 788 O SER A 55 7.786 4.367 11.870 1.00 10.00 O ATOM 789 CB SER A 55 5.369 5.523 10.525 1.00 10.00 C ATOM 790 OG SER A 55 5.202 5.871 11.887 1.00 10.00 O ATOM 0 H SER A 55 6.029 5.476 8.189 1.00 10.00 H new ATOM 0 HA SER A 55 7.233 6.616 10.530 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.729 6.148 9.903 1.00 10.00 H new ATOM 0 HB3 SER A 55 5.058 4.490 10.366 1.00 10.00 H new ATOM 0 HG SER A 55 5.949 5.513 12.410 1.00 10.00 H new ATOM 796 N ASN A 56 8.453 3.855 9.780 1.00 10.00 N ATOM 797 CA ASN A 56 9.308 2.698 10.045 1.00 10.00 C ATOM 798 C ASN A 56 8.447 1.433 10.079 1.00 10.00 C ATOM 799 O ASN A 56 8.459 0.672 11.044 1.00 10.00 O ATOM 800 CB ASN A 56 10.182 2.853 11.299 1.00 10.00 C ATOM 801 CG ASN A 56 10.970 4.157 11.325 1.00 10.00 C ATOM 802 OD1 ASN A 56 12.064 4.248 10.784 1.00 10.00 O ATOM 803 ND2 ASN A 56 10.433 5.180 11.972 1.00 10.00 N ATOM 0 H ASN A 56 8.450 4.095 8.789 1.00 10.00 H new ATOM 0 HA ASN A 56 10.026 2.617 9.229 1.00 10.00 H new ATOM 0 HB2 ASN A 56 9.548 2.802 12.184 1.00 10.00 H new ATOM 0 HB3 ASN A 56 10.877 2.015 11.355 1.00 10.00 H new ATOM 0 HD21 ASN A 56 10.933 6.068 12.027 1.00 10.00 H new ATOM 0 HD22 ASN A 56 9.520 5.080 12.415 1.00 10.00 H new ATOM 810 N ASN A 57 7.629 1.248 9.041 1.00 10.00 N ATOM 811 CA ASN A 57 6.616 0.190 8.994 1.00 10.00 C ATOM 812 C ASN A 57 6.736 -0.716 7.760 1.00 10.00 C ATOM 813 O ASN A 57 6.252 -1.841 7.793 1.00 10.00 O ATOM 814 CB ASN A 57 5.214 0.809 9.102 1.00 10.00 C ATOM 815 CG ASN A 57 4.902 1.499 10.433 1.00 10.00 C ATOM 816 OD1 ASN A 57 5.721 1.354 11.467 1.00 10.00 O flip ATOM 817 ND2 ASN A 57 3.891 2.176 10.552 1.00 10.00 N flip ATOM 0 H ASN A 57 7.650 1.831 8.204 1.00 10.00 H new ATOM 0 HA ASN A 57 6.791 -0.462 9.849 1.00 10.00 H new ATOM 0 HB2 ASN A 57 5.093 1.535 8.298 1.00 10.00 H new ATOM 0 HB3 ASN A 57 4.475 0.025 8.937 1.00 10.00 H new ATOM 0 HD21 ASN A 57 3.258 2.291 9.760 1.00 10.00 H new ATOM 0 HD22 ASN A 57 3.681 2.626 11.443 1.00 10.00 H new ATOM 824 N GLY A 58 7.381 -0.261 6.682 1.00 10.00 N ATOM 825 CA GLY A 58 7.601 -1.080 5.492 1.00 10.00 C ATOM 826 C GLY A 58 8.891 -0.674 4.775 1.00 10.00 C ATOM 827 O GLY A 58 9.445 0.388 5.062 1.00 10.00 O ATOM 0 H GLY A 58 7.763 0.682 6.612 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.654 -2.131 5.775 1.00 10.00 H new ATOM 0 HA3 GLY A 58 6.755 -0.975 4.813 1.00 10.00 H new ATOM 831 N PRO A 59 9.395 -1.521 3.865 1.00 10.00 N ATOM 832 CA PRO A 59 10.756 -1.436 3.354 1.00 10.00 C ATOM 833 C PRO A 59 11.001 -0.177 2.511 1.00 10.00 C ATOM 834 O PRO A 59 10.386 0.034 1.466 1.00 10.00 O ATOM 835 CB PRO A 59 10.966 -2.732 2.565 1.00 10.00 C ATOM 836 CG PRO A 59 9.549 -3.115 2.134 1.00 10.00 C ATOM 837 CD PRO A 59 8.722 -2.702 3.347 1.00 10.00 C ATOM 0 HA PRO A 59 11.480 -1.340 4.163 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.620 -2.579 1.707 1.00 10.00 H new ATOM 0 HB3 PRO A 59 11.423 -3.508 3.180 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.241 -2.587 1.232 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.461 -4.181 1.925 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.692 -2.481 3.068 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.687 -3.497 4.092 1.00 10.00 H new ATOM 845 N THR A 60 11.940 0.666 2.953 1.00 10.00 N ATOM 846 CA THR A 60 12.254 1.955 2.339 1.00 10.00 C ATOM 847 C THR A 60 13.128 1.796 1.085 1.00 10.00 C ATOM 848 O THR A 60 14.230 2.340 1.030 1.00 10.00 O ATOM 849 CB THR A 60 12.963 2.838 3.379 1.00 10.00 C ATOM 850 OG1 THR A 60 14.169 2.217 3.765 1.00 10.00 O ATOM 851 CG2 THR A 60 12.113 3.058 4.634 1.00 10.00 C ATOM 0 H THR A 60 12.516 0.463 3.770 1.00 10.00 H new ATOM 0 HA THR A 60 11.324 2.424 2.019 1.00 10.00 H new ATOM 0 HB THR A 60 13.142 3.808 2.915 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.749 2.114 2.982 1.00 10.00 H new ATOM 0 HG21 THR A 60 12.658 3.688 5.337 1.00 10.00 H new ATOM 0 HG22 THR A 60 11.178 3.546 4.359 1.00 10.00 H new ATOM 0 HG23 THR A 60 11.897 2.097 5.100 1.00 10.00 H new ATOM 859 N LYS A 61 12.646 1.056 0.082 1.00 10.00 N ATOM 860 CA LYS A 61 13.372 0.791 -1.162 1.00 10.00 C ATOM 861 C LYS A 61 12.406 0.315 -2.259 1.00 10.00 C ATOM 862 O LYS A 61 11.457 -0.409 -1.960 1.00 10.00 O ATOM 863 CB LYS A 61 14.498 -0.226 -0.892 1.00 10.00 C ATOM 864 CG LYS A 61 13.973 -1.632 -0.562 1.00 10.00 C ATOM 865 CD LYS A 61 14.993 -2.444 0.249 1.00 10.00 C ATOM 866 CE LYS A 61 14.493 -3.888 0.421 1.00 10.00 C ATOM 867 NZ LYS A 61 15.354 -4.670 1.336 1.00 10.00 N ATOM 0 H LYS A 61 11.726 0.618 0.113 1.00 10.00 H new ATOM 0 HA LYS A 61 13.831 1.711 -1.525 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.146 -0.283 -1.767 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.111 0.130 -0.064 1.00 10.00 H new ATOM 0 HG2 LYS A 61 13.043 -1.550 0.001 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.741 -2.160 -1.487 1.00 10.00 H new ATOM 0 HD2 LYS A 61 15.958 -2.442 -0.257 1.00 10.00 H new ATOM 0 HD3 LYS A 61 15.144 -1.983 1.225 1.00 10.00 H new ATOM 0 HE2 LYS A 61 13.473 -3.875 0.806 1.00 10.00 H new ATOM 0 HE3 LYS A 61 14.460 -4.378 -0.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 14.980 -5.637 1.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 16.322 -4.706 0.957 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 15.366 -4.218 2.273 1.00 10.00 H new ATOM 881 N CYS A 62 12.628 0.702 -3.524 1.00 10.00 N ATOM 882 CA CYS A 62 11.751 0.338 -4.648 1.00 10.00 C ATOM 883 C CYS A 62 11.465 -1.169 -4.678 1.00 10.00 C ATOM 884 O CYS A 62 10.310 -1.597 -4.627 1.00 10.00 O ATOM 885 CB CYS A 62 12.345 0.783 -5.967 1.00 10.00 C ATOM 886 SG CYS A 62 12.995 2.482 -5.946 1.00 10.00 S ATOM 0 H CYS A 62 13.424 1.278 -3.798 1.00 10.00 H new ATOM 0 HA CYS A 62 10.805 0.858 -4.498 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.149 0.100 -6.241 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.583 0.705 -6.742 1.00 10.00 H new ATOM 891 N GLY A 63 12.543 -1.962 -4.672 1.00 10.00 N ATOM 892 CA GLY A 63 12.519 -3.424 -4.632 1.00 10.00 C ATOM 893 C GLY A 63 11.890 -4.025 -3.363 1.00 10.00 C ATOM 894 O GLY A 63 11.741 -5.236 -3.255 1.00 10.00 O ATOM 0 H GLY A 63 13.491 -1.586 -4.696 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.970 -3.788 -5.500 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.541 -3.793 -4.724 1.00 10.00 H new ATOM 898 N GLY A 64 11.547 -3.189 -2.376 1.00 10.00 N ATOM 899 CA GLY A 64 10.792 -3.584 -1.195 1.00 10.00 C ATOM 900 C GLY A 64 9.283 -3.596 -1.455 1.00 10.00 C ATOM 901 O GLY A 64 8.544 -4.279 -0.752 1.00 10.00 O ATOM 0 H GLY A 64 11.795 -2.200 -2.382 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.112 -4.575 -0.875 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.013 -2.898 -0.377 1.00 10.00 H new ATOM 905 N CYS A 65 8.830 -2.832 -2.456 1.00 10.00 N ATOM 906 CA CYS A 65 7.451 -2.866 -2.934 1.00 10.00 C ATOM 907 C CYS A 65 7.371 -3.665 -4.236 1.00 10.00 C ATOM 908 O CYS A 65 6.663 -4.659 -4.311 1.00 10.00 O ATOM 909 CB CYS A 65 6.930 -1.466 -3.117 1.00 10.00 C ATOM 910 SG CYS A 65 6.306 -0.752 -1.559 1.00 10.00 S ATOM 0 H CYS A 65 9.419 -2.168 -2.959 1.00 10.00 H new ATOM 0 HA CYS A 65 6.824 -3.361 -2.193 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.725 -0.833 -3.512 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.130 -1.472 -3.858 1.00 10.00 H new ATOM 915 N HIS A 66 8.100 -3.240 -5.266 1.00 10.00 N ATOM 916 CA HIS A 66 8.113 -3.916 -6.552 1.00 10.00 C ATOM 917 C HIS A 66 8.947 -5.208 -6.482 1.00 10.00 C ATOM 918 O HIS A 66 10.090 -5.157 -6.038 1.00 10.00 O ATOM 919 CB HIS A 66 8.698 -2.942 -7.579 1.00 10.00 C ATOM 920 CG HIS A 66 7.871 -1.715 -7.811 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.944 -1.609 -8.799 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.887 -0.524 -7.136 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.394 -0.394 -8.730 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.931 0.325 -7.733 1.00 10.00 N ATOM 0 H HIS A 66 8.698 -2.415 -5.227 1.00 10.00 H new ATOM 0 HA HIS A 66 7.102 -4.205 -6.839 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.691 -2.638 -7.249 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.823 -3.465 -8.527 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.709 -2.334 -9.477 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.519 -0.278 -6.296 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.618 -0.037 -9.391 1.00 10.00 H new ATOM 932 N ILE A 67 8.428 -6.348 -6.957 1.00 10.00 N ATOM 933 CA ILE A 67 9.242 -7.570 -7.053 1.00 10.00 C ATOM 934 C ILE A 67 10.533 -7.316 -7.857 1.00 10.00 C ATOM 935 O ILE A 67 10.477 -6.817 -8.980 1.00 10.00 O ATOM 936 CB ILE A 67 8.457 -8.748 -7.668 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.116 -9.056 -6.978 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.320 -10.021 -7.670 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.180 -9.102 -5.447 1.00 10.00 C ATOM 0 H ILE A 67 7.465 -6.451 -7.276 1.00 10.00 H new ATOM 0 HA ILE A 67 9.510 -7.847 -6.033 1.00 10.00 H new ATOM 0 HB ILE A 67 8.219 -8.430 -8.683 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.388 -8.301 -7.275 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.747 -10.015 -7.342 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.754 -10.844 -8.106 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.221 -9.849 -8.258 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.597 -10.274 -6.647 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.190 -9.325 -5.048 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.880 -9.877 -5.135 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.515 -8.137 -5.068 1.00 10.00 H new ATOM 951 N LYS A 68 11.686 -7.672 -7.283 1.00 10.00 N ATOM 952 CA LYS A 68 13.007 -7.582 -7.878 1.00 10.00 C ATOM 953 C LYS A 68 13.937 -8.534 -7.110 1.00 10.00 C ATOM 954 O LYS A 68 13.580 -8.857 -5.954 1.00 10.00 O ATOM 955 CB LYS A 68 13.483 -6.123 -7.813 1.00 10.00 C ATOM 956 CG LYS A 68 14.959 -6.024 -8.203 1.00 10.00 C ATOM 957 CD LYS A 68 15.380 -4.572 -8.442 1.00 10.00 C ATOM 958 CE LYS A 68 16.876 -4.537 -8.777 1.00 10.00 C ATOM 959 NZ LYS A 68 17.327 -3.170 -9.111 1.00 10.00 N ATOM 960 OXT LYS A 68 14.983 -8.909 -7.685 1.00 10.00 O ATOM 0 H LYS A 68 11.715 -8.051 -6.337 1.00 10.00 H new ATOM 0 HA LYS A 68 13.001 -7.878 -8.927 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.882 -5.508 -8.482 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.340 -5.732 -6.806 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.575 -6.457 -7.415 1.00 10.00 H new ATOM 0 HG3 LYS A 68 15.138 -6.609 -9.105 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.801 -4.141 -9.259 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.178 -3.970 -7.556 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.448 -4.912 -7.929 1.00 10.00 H new ATOM 0 HE3 LYS A 68 17.077 -5.202 -9.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.343 -3.184 -9.332 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 16.798 -2.822 -9.936 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.158 -2.541 -8.300 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.109 -1.564 1.114 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.012 -0.639 -1.946 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.113 -2.553 1.861 1.00 10.00 C HETATM 978 CHC HEC A 130 -7.851 -3.128 3.736 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.353 0.213 0.802 1.00 10.00 C HETATM 980 NA HEC A 130 -10.713 -1.567 0.175 1.00 10.00 N HETATM 981 C1A HEC A 130 -10.906 -1.187 -1.103 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.282 -1.436 -1.473 1.00 10.00 C HETATM 983 C3A HEC A 130 -12.909 -1.843 -0.331 1.00 10.00 C HETATM 984 C4A HEC A 130 -11.869 -2.008 0.657 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.382 -2.166 -0.189 1.00 10.00 C HETATM 986 CAA HEC A 130 -12.902 -1.423 -2.860 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.427 -2.806 -3.287 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.558 -3.985 -2.803 1.00 10.00 C HETATM 989 O1A HEC A 130 -13.119 -5.000 -2.328 1.00 10.00 O HETATM 990 O2A HEC A 130 -11.306 -3.903 -2.834 1.00 10.00 O HETATM 991 NB HEC A 130 -9.836 -2.592 2.544 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.120 -2.849 2.707 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.336 -3.578 3.938 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.094 -3.772 4.483 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.172 -3.146 3.558 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.666 -4.064 4.482 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.737 -4.560 5.740 1.00 10.00 C HETATM 998 CBB HEC A 130 -9.843 -6.073 5.516 1.00 10.00 C HETATM 999 NC HEC A 130 -7.457 -1.524 2.012 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.100 -2.278 3.047 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.729 -2.016 3.410 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.381 -0.908 2.694 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.453 -0.695 1.761 1.00 10.00 C HETATM 1004 CMC HEC A 130 -4.885 -2.747 4.439 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.209 0.013 2.951 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.860 -0.594 2.579 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.346 -0.414 -0.283 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.198 0.225 -0.199 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.880 0.893 -1.435 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.926 0.614 -2.269 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.848 -0.187 -1.489 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.568 1.577 -1.796 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.040 1.004 -3.729 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.505 -0.076 -4.677 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.778 0.241 -6.158 1.00 10.00 C HETATM 1016 O1D HEC A 130 -8.957 0.534 -6.464 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.807 0.176 -6.952 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.370 2.381 -1.087 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.756 0.851 -1.757 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.638 1.989 -2.803 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.354 -2.664 5.419 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -4.805 -3.798 4.163 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -3.890 -2.304 4.474 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.327 -3.212 4.642 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.123 -4.749 3.768 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.505 -4.581 5.428 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -14.973 -1.286 -0.440 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.642 -2.982 -0.863 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.592 -2.463 0.839 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.431 -0.186 -4.526 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.962 -1.033 -4.425 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.695 -1.500 3.163 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.852 -0.840 1.517 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.067 0.124 2.791 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -10.864 -6.328 5.232 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.160 -6.372 4.721 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.580 -6.596 6.435 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.439 -2.933 -2.903 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.492 -2.839 -4.375 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.085 1.204 -3.966 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.492 1.931 -3.896 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.722 -0.705 -2.881 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.161 -1.081 -3.582 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.559 0.958 0.846 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.388 -3.811 4.448 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.142 -2.758 2.155 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.243 -0.565 -3.009 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.007 -0.116 -6.467 1.00 10.00 H new HETATM 0 H2A HEC A 130 -10.989 -4.079 -3.744 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.639 -1.842 3.513 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.544 -4.302 4.695 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.300 -2.815 0.395 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.389 0.281 2.429 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.104 -0.773 6.658 1.00 10.00 C HETATM 1055 NA HEC A 153 3.750 -3.201 2.711 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.451 -4.133 3.376 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.173 -4.967 2.441 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.769 -4.576 1.199 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.895 -3.449 1.408 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.082 -5.269 -0.112 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.228 -6.014 2.743 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.684 -7.450 2.843 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.781 -8.504 3.099 1.00 10.00 C HETATM 1064 O1A HEC A 153 6.434 -9.705 3.130 1.00 10.00 O HETATM 1065 O2A HEC A 153 7.954 -8.093 3.264 1.00 10.00 O HETATM 1066 NB HEC A 153 2.007 -1.338 1.770 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.384 -1.860 0.605 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.577 -1.319 -0.467 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.807 -0.329 0.089 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.043 -0.450 1.523 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.453 -1.880 -1.871 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.173 0.600 -0.663 1.00 10.00 C HETATM 1073 CBB HEC A 153 0.137 0.950 -2.123 1.00 10.00 C HETATM 1074 NC HEC A 153 1.497 -0.511 4.367 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.641 0.264 3.733 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.037 1.156 4.659 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.472 0.854 5.892 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.435 -0.202 5.660 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.064 2.239 4.348 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.139 1.483 7.246 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.179 2.258 7.403 1.00 10.00 C HETATM 1082 ND HEC A 153 3.206 -2.404 5.293 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.867 -1.846 6.461 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.393 -2.623 7.561 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.062 -3.662 6.990 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.959 -3.475 5.563 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.192 -2.444 9.058 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.646 -4.837 7.745 1.00 10.00 C HETATM 1089 CBD HEC A 153 3.648 -6.004 7.794 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.939 -7.050 8.879 1.00 10.00 C HETATM 1091 O1D HEC A 153 4.158 -6.677 10.057 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.826 -8.268 8.607 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.559 -1.463 9.360 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.131 -2.522 9.295 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.741 -3.218 9.594 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.622 2.979 3.681 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.933 1.789 3.867 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.373 2.724 5.274 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.434 -1.890 -2.347 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.063 -2.897 -1.823 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.773 -1.257 -2.453 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.162 -5.301 -0.258 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.689 -6.285 -0.089 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.621 -4.720 -0.933 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 2.647 -5.602 7.954 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 3.641 -6.499 6.823 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.196 3.093 6.702 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.018 1.594 7.196 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.259 2.638 8.422 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 1.102 1.454 -2.179 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 0.170 0.037 -2.717 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.640 1.608 -2.512 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 4.950 -7.497 3.647 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 5.161 -7.698 1.919 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.569 -5.162 7.264 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.905 -4.531 8.759 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.990 -5.980 1.965 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.719 -5.758 3.682 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.026 -0.352 7.661 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.406 0.937 2.074 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.566 -3.081 -0.628 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.118 -5.146 5.078 1.00 10.00 H new HETATM 0 H2D HEC A 153 2.879 -8.490 8.487 1.00 10.00 H new HETATM 0 H2A HEC A 153 8.549 -8.856 3.421 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.393 2.202 -7.386 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.053 2.079 -9.754 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.657 3.112 -9.613 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.626 2.597 -4.949 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.196 0.996 -5.173 1.00 10.00 C HETATM 1130 NA HEC A 166 6.353 2.564 -9.261 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.287 2.486 -10.073 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.672 2.836 -11.426 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.002 3.130 -11.372 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.398 2.923 -10.001 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.875 3.605 -12.519 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.850 2.764 -12.700 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.198 1.541 -13.567 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.345 1.434 -14.844 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.123 0.291 -15.303 1.00 10.00 O HETATM 1140 O2A HEC A 166 3.939 2.508 -15.350 1.00 10.00 O HETATM 1141 NB HEC A 166 8.255 2.716 -7.295 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.017 3.019 -8.336 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.369 3.304 -7.915 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.366 3.198 -6.550 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.014 2.806 -6.206 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.533 3.677 -8.818 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.528 3.494 -5.602 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.944 4.971 -5.612 1.00 10.00 C HETATM 1149 NC HEC A 166 6.401 1.899 -5.478 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.410 2.144 -4.658 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.056 1.832 -3.296 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.815 1.264 -3.359 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.403 1.387 -4.746 1.00 10.00 C HETATM 1154 CMC HEC A 166 7.949 1.972 -2.075 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.140 0.462 -2.251 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.502 1.311 -1.145 1.00 10.00 C HETATM 1157 ND HEC A 166 4.519 1.584 -7.472 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.810 1.113 -6.448 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.468 0.785 -6.882 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.407 1.106 -8.209 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.724 1.611 -8.548 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.290 0.314 -6.042 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.141 1.055 -9.057 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.275 0.499 -10.490 1.00 10.00 C HETATM 1165 CGD HEC A 166 0.959 1.524 -11.604 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.451 1.093 -12.660 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.262 2.726 -11.399 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.548 -0.622 -5.546 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.053 1.069 -5.292 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.424 0.157 -6.685 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.833 1.345 -2.197 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.254 3.013 -1.965 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.402 1.659 -1.186 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.713 2.872 -9.531 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.296 4.594 -9.358 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.427 3.833 -8.214 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.874 2.856 -13.311 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.485 4.545 -12.908 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.894 3.755 -12.163 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.291 0.130 -10.630 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.607 -0.356 -10.599 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.268 1.924 -0.669 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.738 1.957 -1.577 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.046 0.657 -0.401 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.255 5.255 -6.617 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.100 5.589 -5.306 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.773 5.120 -4.920 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.251 1.590 -13.845 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 5.067 0.636 -12.974 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.404 0.451 -8.528 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.737 2.065 -9.123 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.791 2.731 -12.442 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.009 3.672 -13.281 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.500 0.565 -4.453 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.324 2.803 -4.137 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.413 3.349 -10.362 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.277 2.132 -10.518 1.00 10.00 H new HETATM 0 H2D HEC A 166 0.552 3.306 -11.746 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.423 2.313 -16.160 1.00 10.00 H new