USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 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 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 158 HEC HAC : A 158 HEC CAC : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 57 ASN :FLIP amide:sc= -1.29! C(o=-2.1!,f=-1.2!) USER MOD Set 1.2: A 128 HEC O2D : rot 46:sc= 0.138 USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.108 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.19 K(o=-3.2,f=-4.5!) 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= -0.0491 K(o=-0.049,f=-0.77) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -19:sc= -24.3! USER MOD Single : A 30 HIS : no HE2:sc= -14.8! C(o=-15!,f=-21!) USER MOD Single : A 33 THR OG1 : rot -8:sc= 0.461 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0135) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.447) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -50:sc= -19.3! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -149:sc= -0.969 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 29:sc= 0.051 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 14:sc= 0.386 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -21.4! USER MOD Single : A 66 HIS : no HE2:sc= -6! C(o=-6!,f=-12!) 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 -120:sc= -0.672 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2D : rot -89:sc= 0.273! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.060 -6.673 11.284 1.00 10.00 N ATOM 2 CA ALA A 1 4.248 -7.332 10.770 1.00 10.00 C ATOM 3 C ALA A 1 5.294 -6.277 10.402 1.00 10.00 C ATOM 4 O ALA A 1 5.245 -5.152 10.896 1.00 10.00 O ATOM 5 CB ALA A 1 3.867 -8.217 9.581 1.00 10.00 C ATOM 0 H1 ALA A 1 2.841 -7.042 12.231 1.00 10.00 H new ATOM 0 H2 ALA A 1 3.229 -5.648 11.342 1.00 10.00 H new ATOM 0 H3 ALA A 1 2.259 -6.856 10.647 1.00 10.00 H new ATOM 0 HA ALA A 1 4.687 -7.979 11.530 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.758 -8.712 9.195 1.00 10.00 H new ATOM 0 HB2 ALA A 1 3.146 -8.968 9.903 1.00 10.00 H new ATOM 0 HB3 ALA A 1 3.425 -7.602 8.797 1.00 10.00 H new ATOM 11 N ASP A 2 6.213 -6.679 9.536 1.00 10.00 N ATOM 12 CA ASP A 2 7.268 -5.781 9.096 1.00 10.00 C ATOM 13 C ASP A 2 7.076 -5.467 7.611 1.00 10.00 C ATOM 14 O ASP A 2 6.828 -4.320 7.242 1.00 10.00 O ATOM 15 CB ASP A 2 8.646 -6.424 9.270 1.00 10.00 C ATOM 16 CG ASP A 2 9.003 -6.805 10.707 1.00 10.00 C ATOM 17 OD1 ASP A 2 8.154 -7.459 11.350 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.120 -6.434 11.131 1.00 10.00 O ATOM 0 H ASP A 2 6.249 -7.613 9.128 1.00 10.00 H new ATOM 0 HA ASP A 2 7.215 -4.875 9.699 1.00 10.00 H new ATOM 0 HB2 ASP A 2 8.694 -7.319 8.650 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.402 -5.735 8.894 1.00 10.00 H new ATOM 23 N VAL A 3 7.200 -6.506 6.798 1.00 10.00 N ATOM 24 CA VAL A 3 7.045 -6.355 5.361 1.00 10.00 C ATOM 25 C VAL A 3 6.226 -7.527 4.816 1.00 10.00 C ATOM 26 O VAL A 3 6.645 -8.679 4.909 1.00 10.00 O ATOM 27 CB VAL A 3 8.417 -6.224 4.697 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.297 -6.296 3.173 1.00 10.00 C ATOM 29 CG2 VAL A 3 9.116 -4.935 5.132 1.00 10.00 C ATOM 0 H VAL A 3 7.406 -7.456 7.107 1.00 10.00 H new ATOM 0 HA VAL A 3 6.499 -5.441 5.129 1.00 10.00 H new ATOM 0 HB VAL A 3 9.030 -7.064 5.025 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.286 -6.200 2.725 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.860 -7.253 2.887 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.659 -5.486 2.820 1.00 10.00 H new ATOM 0 HG21 VAL A 3 10.089 -4.867 4.646 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.507 -4.077 4.847 1.00 10.00 H new ATOM 0 HG23 VAL A 3 9.251 -4.941 6.214 1.00 10.00 H new ATOM 39 N VAL A 4 5.071 -7.191 4.258 1.00 10.00 N ATOM 40 CA VAL A 4 4.190 -8.201 3.697 1.00 10.00 C ATOM 41 C VAL A 4 4.543 -8.419 2.224 1.00 10.00 C ATOM 42 O VAL A 4 5.144 -7.553 1.591 1.00 10.00 O ATOM 43 CB VAL A 4 2.730 -7.796 3.909 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.821 -8.459 2.871 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.270 -8.126 5.331 1.00 10.00 C ATOM 0 H VAL A 4 4.726 -6.234 4.183 1.00 10.00 H new ATOM 0 HA VAL A 4 4.327 -9.154 4.208 1.00 10.00 H new ATOM 0 HB VAL A 4 2.659 -6.716 3.776 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.789 -8.155 3.044 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.127 -8.152 1.871 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.899 -9.543 2.958 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.229 -7.828 5.455 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.364 -9.198 5.504 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.889 -7.587 6.048 1.00 10.00 H new ATOM 55 N THR A 5 4.153 -9.581 1.722 1.00 10.00 N ATOM 56 CA THR A 5 4.420 -9.924 0.336 1.00 10.00 C ATOM 57 C THR A 5 3.148 -10.433 -0.344 1.00 10.00 C ATOM 58 O THR A 5 2.530 -11.390 0.123 1.00 10.00 O ATOM 59 CB THR A 5 5.568 -10.935 0.311 1.00 10.00 C ATOM 60 OG1 THR A 5 6.688 -10.201 0.798 1.00 10.00 O ATOM 61 CG2 THR A 5 5.972 -11.330 -1.111 1.00 10.00 C ATOM 0 H THR A 5 3.654 -10.297 2.250 1.00 10.00 H new ATOM 0 HA THR A 5 4.727 -9.048 -0.235 1.00 10.00 H new ATOM 0 HB THR A 5 5.277 -11.827 0.866 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.477 -10.782 0.816 1.00 10.00 H new ATOM 0 HG21 THR A 5 6.790 -12.049 -1.070 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.119 -11.779 -1.620 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.295 -10.444 -1.657 1.00 10.00 H new ATOM 69 N TYR A 6 2.791 -9.772 -1.435 1.00 10.00 N ATOM 70 CA TYR A 6 1.603 -10.146 -2.183 1.00 10.00 C ATOM 71 C TYR A 6 1.957 -10.521 -3.623 1.00 10.00 C ATOM 72 O TYR A 6 2.039 -9.654 -4.491 1.00 10.00 O ATOM 73 CB TYR A 6 0.706 -8.907 -2.196 1.00 10.00 C ATOM 74 CG TYR A 6 -0.497 -8.999 -1.257 1.00 10.00 C ATOM 75 CD1 TYR A 6 -1.328 -10.100 -1.305 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.752 -7.981 -0.360 1.00 10.00 C ATOM 77 CE1 TYR A 6 -2.461 -10.187 -0.419 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.885 -8.068 0.525 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.683 -9.167 0.451 1.00 10.00 C ATOM 80 OH TYR A 6 -3.753 -9.248 1.288 1.00 10.00 O ATOM 0 H TYR A 6 3.304 -8.979 -1.819 1.00 10.00 H new ATOM 0 HA TYR A 6 1.118 -11.009 -1.727 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.302 -8.037 -1.921 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.349 -8.741 -3.212 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.129 -10.896 -2.007 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.102 -7.119 -0.322 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.119 -11.043 -0.446 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.096 -7.279 1.231 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.787 -8.449 1.854 1.00 10.00 H new ATOM 90 N GLU A 7 2.157 -11.814 -3.832 1.00 10.00 N ATOM 91 CA GLU A 7 2.500 -12.315 -5.152 1.00 10.00 C ATOM 92 C GLU A 7 1.242 -12.455 -6.010 1.00 10.00 C ATOM 93 O GLU A 7 0.228 -12.979 -5.550 1.00 10.00 O ATOM 94 CB GLU A 7 3.251 -13.645 -5.057 1.00 10.00 C ATOM 95 CG GLU A 7 4.716 -13.421 -4.675 1.00 10.00 C ATOM 96 CD GLU A 7 5.633 -14.381 -5.436 1.00 10.00 C ATOM 97 OE1 GLU A 7 5.346 -15.597 -5.390 1.00 10.00 O ATOM 98 OE2 GLU A 7 6.599 -13.879 -6.048 1.00 10.00 O ATOM 0 H GLU A 7 2.088 -12.530 -3.109 1.00 10.00 H new ATOM 0 HA GLU A 7 3.164 -11.595 -5.631 1.00 10.00 H new ATOM 0 HB2 GLU A 7 2.772 -14.285 -4.316 1.00 10.00 H new ATOM 0 HB3 GLU A 7 3.196 -14.167 -6.012 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.999 -12.391 -4.894 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.842 -13.565 -3.602 1.00 10.00 H new ATOM 105 N ASN A 8 1.347 -11.979 -7.242 1.00 10.00 N ATOM 106 CA ASN A 8 0.229 -12.046 -8.168 1.00 10.00 C ATOM 107 C ASN A 8 0.727 -12.544 -9.526 1.00 10.00 C ATOM 108 O ASN A 8 1.932 -12.649 -9.749 1.00 10.00 O ATOM 109 CB ASN A 8 -0.400 -10.666 -8.372 1.00 10.00 C ATOM 110 CG ASN A 8 -0.861 -10.071 -7.041 1.00 10.00 C ATOM 111 OD1 ASN A 8 -2.042 -9.977 -6.748 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.134 -9.675 -6.252 1.00 10.00 N ATOM 0 H ASN A 8 2.189 -11.545 -7.621 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.516 -12.724 -7.750 1.00 10.00 H new ATOM 0 HB2 ASN A 8 0.323 -9.999 -8.842 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -1.248 -10.746 -9.052 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.070 -9.264 -5.341 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.101 -9.782 -6.558 1.00 10.00 H new ATOM 119 N LYS A 9 -0.226 -12.838 -10.398 1.00 10.00 N ATOM 120 CA LYS A 9 0.100 -13.323 -11.729 1.00 10.00 C ATOM 121 C LYS A 9 1.105 -12.371 -12.381 1.00 10.00 C ATOM 122 O LYS A 9 2.245 -12.750 -12.642 1.00 10.00 O ATOM 123 CB LYS A 9 -1.173 -13.530 -12.550 1.00 10.00 C ATOM 124 CG LYS A 9 -0.931 -14.513 -13.698 1.00 10.00 C ATOM 125 CD LYS A 9 -1.287 -15.941 -13.282 1.00 10.00 C ATOM 126 CE LYS A 9 -0.784 -16.954 -14.312 1.00 10.00 C ATOM 127 NZ LYS A 9 -0.396 -18.219 -13.648 1.00 10.00 N ATOM 0 H LYS A 9 -1.224 -12.750 -10.209 1.00 10.00 H new ATOM 0 HA LYS A 9 0.577 -14.301 -11.672 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.968 -13.906 -11.906 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.512 -12.574 -12.950 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -1.529 -14.223 -14.562 1.00 10.00 H new ATOM 0 HG3 LYS A 9 0.114 -14.470 -14.004 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -0.849 -16.160 -12.308 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -2.368 -16.033 -13.174 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -1.562 -17.148 -15.050 1.00 10.00 H new ATOM 0 HE3 LYS A 9 0.070 -16.542 -14.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.057 -18.896 -14.361 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 0.362 -18.032 -12.960 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.220 -18.619 -13.155 1.00 10.00 H new ATOM 141 N LYS A 10 0.645 -11.153 -12.626 1.00 10.00 N ATOM 142 CA LYS A 10 1.490 -10.144 -13.244 1.00 10.00 C ATOM 143 C LYS A 10 2.845 -10.117 -12.535 1.00 10.00 C ATOM 144 O LYS A 10 3.861 -10.497 -13.116 1.00 10.00 O ATOM 145 CB LYS A 10 0.779 -8.789 -13.264 1.00 10.00 C ATOM 146 CG LYS A 10 -0.001 -8.598 -14.566 1.00 10.00 C ATOM 147 CD LYS A 10 -1.024 -7.469 -14.432 1.00 10.00 C ATOM 148 CE LYS A 10 -1.567 -7.055 -15.800 1.00 10.00 C ATOM 149 NZ LYS A 10 -3.045 -6.988 -15.774 1.00 10.00 N ATOM 0 H LYS A 10 -0.302 -10.842 -12.408 1.00 10.00 H new ATOM 0 HA LYS A 10 1.681 -10.393 -14.288 1.00 10.00 H new ATOM 0 HB2 LYS A 10 0.099 -8.719 -12.415 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.511 -7.989 -13.154 1.00 10.00 H new ATOM 0 HG2 LYS A 10 0.690 -8.373 -15.378 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -0.510 -9.525 -14.828 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.846 -7.792 -13.793 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -0.561 -6.610 -13.946 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -1.158 -6.084 -16.081 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -1.243 -7.769 -16.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -3.396 -6.705 -16.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -3.431 -7.922 -15.527 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -3.348 -6.290 -15.066 1.00 10.00 H new ATOM 163 N GLY A 11 2.818 -9.664 -11.290 1.00 10.00 N ATOM 164 CA GLY A 11 4.032 -9.583 -10.497 1.00 10.00 C ATOM 165 C GLY A 11 3.723 -9.732 -9.005 1.00 10.00 C ATOM 166 O GLY A 11 2.853 -10.512 -8.623 1.00 10.00 O ATOM 0 H GLY A 11 1.974 -9.349 -10.811 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.727 -10.363 -10.808 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.525 -8.628 -10.676 1.00 10.00 H new ATOM 170 N ASN A 12 4.455 -8.972 -8.204 1.00 10.00 N ATOM 171 CA ASN A 12 4.270 -9.010 -6.763 1.00 10.00 C ATOM 172 C ASN A 12 4.570 -7.627 -6.178 1.00 10.00 C ATOM 173 O ASN A 12 5.291 -6.836 -6.784 1.00 10.00 O ATOM 174 CB ASN A 12 5.222 -10.014 -6.112 1.00 10.00 C ATOM 175 CG ASN A 12 6.680 -9.584 -6.289 1.00 10.00 C ATOM 176 OD1 ASN A 12 7.194 -9.482 -7.391 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.314 -9.336 -5.146 1.00 10.00 N ATOM 0 H ASN A 12 5.177 -8.327 -8.525 1.00 10.00 H new ATOM 0 HA ASN A 12 3.240 -9.307 -6.563 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.992 -10.103 -5.050 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.074 -11.000 -6.554 1.00 10.00 H new ATOM 0 HD21 ASN A 12 8.290 -9.041 -5.158 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.824 -9.441 -4.258 1.00 10.00 H new ATOM 184 N VAL A 13 4.000 -7.379 -5.008 1.00 10.00 N ATOM 185 CA VAL A 13 4.197 -6.107 -4.335 1.00 10.00 C ATOM 186 C VAL A 13 4.614 -6.361 -2.885 1.00 10.00 C ATOM 187 O VAL A 13 3.784 -6.718 -2.050 1.00 10.00 O ATOM 188 CB VAL A 13 2.932 -5.252 -4.453 1.00 10.00 C ATOM 189 CG1 VAL A 13 2.436 -5.203 -5.898 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.838 -5.760 -3.513 1.00 10.00 C ATOM 0 H VAL A 13 3.402 -8.038 -4.509 1.00 10.00 H new ATOM 0 HA VAL A 13 5.000 -5.544 -4.810 1.00 10.00 H new ATOM 0 HB VAL A 13 3.185 -4.235 -4.153 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.537 -4.589 -5.953 1.00 10.00 H new ATOM 0 HG12 VAL A 13 3.209 -4.772 -6.534 1.00 10.00 H new ATOM 0 HG13 VAL A 13 2.208 -6.213 -6.239 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.951 -5.136 -3.616 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.589 -6.790 -3.768 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.194 -5.717 -2.484 1.00 10.00 H new ATOM 200 N THR A 14 5.900 -6.166 -2.631 1.00 10.00 N ATOM 201 CA THR A 14 6.437 -6.370 -1.296 1.00 10.00 C ATOM 202 C THR A 14 5.916 -5.294 -0.342 1.00 10.00 C ATOM 203 O THR A 14 6.590 -4.293 -0.100 1.00 10.00 O ATOM 204 CB THR A 14 7.963 -6.401 -1.401 1.00 10.00 C ATOM 205 OG1 THR A 14 8.391 -6.854 -0.120 1.00 10.00 O ATOM 206 CG2 THR A 14 8.570 -5.001 -1.522 1.00 10.00 C ATOM 0 H THR A 14 6.585 -5.869 -3.326 1.00 10.00 H new ATOM 0 HA THR A 14 6.106 -7.320 -0.877 1.00 10.00 H new ATOM 0 HB THR A 14 8.255 -7.000 -2.264 1.00 10.00 H new ATOM 0 HG1 THR A 14 9.370 -6.905 -0.101 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.655 -5.080 -1.593 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.182 -4.512 -2.416 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.306 -4.413 -0.643 1.00 10.00 H new ATOM 214 N PHE A 15 4.721 -5.537 0.177 1.00 10.00 N ATOM 215 CA PHE A 15 4.101 -4.601 1.100 1.00 10.00 C ATOM 216 C PHE A 15 5.085 -4.175 2.191 1.00 10.00 C ATOM 217 O PHE A 15 6.142 -4.783 2.351 1.00 10.00 O ATOM 218 CB PHE A 15 2.921 -5.329 1.749 1.00 10.00 C ATOM 219 CG PHE A 15 1.588 -5.114 1.033 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.570 -4.691 -0.260 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.419 -5.346 1.687 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.332 -4.491 -0.926 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.820 -5.146 1.022 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.837 -4.723 -0.271 1.00 10.00 C ATOM 0 H PHE A 15 4.166 -6.369 -0.024 1.00 10.00 H new ATOM 0 HA PHE A 15 3.783 -3.706 0.566 1.00 10.00 H new ATOM 0 HB2 PHE A 15 3.138 -6.397 1.778 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.825 -4.995 2.782 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.498 -4.507 -0.780 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.432 -5.683 2.713 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.319 -4.155 -1.952 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.748 -5.330 1.543 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.779 -4.571 -0.777 1.00 10.00 H new ATOM 234 N ASP A 16 4.702 -3.133 2.915 1.00 10.00 N ATOM 235 CA ASP A 16 5.537 -2.618 3.986 1.00 10.00 C ATOM 236 C ASP A 16 4.662 -2.295 5.199 1.00 10.00 C ATOM 237 O ASP A 16 3.727 -1.502 5.101 1.00 10.00 O ATOM 238 CB ASP A 16 6.248 -1.332 3.561 1.00 10.00 C ATOM 239 CG ASP A 16 7.291 -1.506 2.455 1.00 10.00 C ATOM 240 OD1 ASP A 16 6.883 -1.440 1.275 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.473 -1.699 2.814 1.00 10.00 O ATOM 0 H ASP A 16 3.824 -2.632 2.780 1.00 10.00 H new ATOM 0 HA ASP A 16 6.280 -3.378 4.228 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.499 -0.615 3.224 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.735 -0.898 4.434 1.00 10.00 H new ATOM 246 N HIS A 17 4.996 -2.928 6.315 1.00 10.00 N ATOM 247 CA HIS A 17 4.252 -2.718 7.545 1.00 10.00 C ATOM 248 C HIS A 17 5.063 -1.828 8.490 1.00 10.00 C ATOM 249 O HIS A 17 4.619 -0.742 8.858 1.00 10.00 O ATOM 250 CB HIS A 17 3.861 -4.055 8.179 1.00 10.00 C ATOM 251 CG HIS A 17 2.406 -4.148 8.567 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.578 -5.170 8.133 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.638 -3.340 9.353 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.370 -4.973 8.641 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.409 -3.838 9.396 1.00 10.00 N ATOM 0 H HIS A 17 5.772 -3.586 6.392 1.00 10.00 H new ATOM 0 HA HIS A 17 3.319 -2.200 7.325 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.092 -4.858 7.480 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.474 -4.218 9.065 1.00 10.00 H new ATOM 0 HD1 HIS A 17 1.851 -5.943 7.526 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.974 -2.445 9.856 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.494 -5.601 8.484 1.00 10.00 H new ATOM 263 N LYS A 18 6.236 -2.323 8.855 1.00 10.00 N ATOM 264 CA LYS A 18 7.113 -1.587 9.749 1.00 10.00 C ATOM 265 C LYS A 18 7.959 -0.605 8.934 1.00 10.00 C ATOM 266 O LYS A 18 8.323 0.462 9.425 1.00 10.00 O ATOM 267 CB LYS A 18 7.940 -2.550 10.602 1.00 10.00 C ATOM 268 CG LYS A 18 8.838 -1.787 11.578 1.00 10.00 C ATOM 269 CD LYS A 18 8.410 -2.036 13.026 1.00 10.00 C ATOM 270 CE LYS A 18 9.128 -3.255 13.607 1.00 10.00 C ATOM 271 NZ LYS A 18 8.275 -3.928 14.613 1.00 10.00 N ATOM 0 H LYS A 18 6.600 -3.225 8.548 1.00 10.00 H new ATOM 0 HA LYS A 18 6.528 -0.996 10.454 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.275 -3.213 11.156 1.00 10.00 H new ATOM 0 HB3 LYS A 18 8.552 -3.180 9.956 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.874 -2.097 11.443 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.794 -0.720 11.360 1.00 10.00 H new ATOM 0 HD2 LYS A 18 8.631 -1.157 13.631 1.00 10.00 H new ATOM 0 HD3 LYS A 18 7.332 -2.190 13.069 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.377 -3.953 12.808 1.00 10.00 H new ATOM 0 HE3 LYS A 18 10.067 -2.947 14.066 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 8.777 -4.753 14.998 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 8.058 -3.265 15.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 7.390 -4.239 14.165 1.00 10.00 H new ATOM 285 N ALA A 19 8.247 -1.004 7.704 1.00 10.00 N ATOM 286 CA ALA A 19 9.044 -0.173 6.817 1.00 10.00 C ATOM 287 C ALA A 19 8.238 1.067 6.425 1.00 10.00 C ATOM 288 O ALA A 19 8.808 2.122 6.154 1.00 10.00 O ATOM 289 CB ALA A 19 9.478 -0.995 5.601 1.00 10.00 C ATOM 0 H ALA A 19 7.943 -1.890 7.301 1.00 10.00 H new ATOM 0 HA ALA A 19 9.949 0.168 7.320 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.076 -0.372 4.935 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.072 -1.847 5.931 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.596 -1.352 5.069 1.00 10.00 H new ATOM 295 N HIS A 20 6.923 0.898 6.408 1.00 10.00 N ATOM 296 CA HIS A 20 6.033 1.990 6.053 1.00 10.00 C ATOM 297 C HIS A 20 5.609 2.737 7.319 1.00 10.00 C ATOM 298 O HIS A 20 5.704 3.961 7.383 1.00 10.00 O ATOM 299 CB HIS A 20 4.843 1.478 5.240 1.00 10.00 C ATOM 300 CG HIS A 20 5.001 1.646 3.748 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.235 1.644 3.119 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.069 1.820 2.766 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.041 1.811 1.819 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.699 1.920 1.603 1.00 10.00 N ATOM 0 H HIS A 20 6.453 0.021 6.634 1.00 10.00 H new ATOM 0 HA HIS A 20 6.558 2.699 5.413 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.692 0.422 5.462 1.00 10.00 H new ATOM 0 HB3 HIS A 20 3.944 2.003 5.561 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.139 1.533 3.578 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.000 1.868 2.911 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.811 1.853 1.063 1.00 10.00 H new ATOM 312 N ALA A 21 5.150 1.968 8.296 1.00 10.00 N ATOM 313 CA ALA A 21 4.710 2.542 9.556 1.00 10.00 C ATOM 314 C ALA A 21 5.648 3.687 9.944 1.00 10.00 C ATOM 315 O ALA A 21 5.228 4.647 10.588 1.00 10.00 O ATOM 316 CB ALA A 21 4.654 1.447 10.624 1.00 10.00 C ATOM 0 H ALA A 21 5.073 0.952 8.240 1.00 10.00 H new ATOM 0 HA ALA A 21 3.706 2.956 9.460 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.324 1.877 11.569 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.953 0.672 10.314 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.645 1.011 10.750 1.00 10.00 H new ATOM 322 N GLU A 22 6.901 3.548 9.537 1.00 10.00 N ATOM 323 CA GLU A 22 7.901 4.559 9.833 1.00 10.00 C ATOM 324 C GLU A 22 7.432 5.930 9.344 1.00 10.00 C ATOM 325 O GLU A 22 7.462 6.905 10.093 1.00 10.00 O ATOM 326 CB GLU A 22 9.253 4.190 9.219 1.00 10.00 C ATOM 327 CG GLU A 22 9.677 2.779 9.632 1.00 10.00 C ATOM 328 CD GLU A 22 11.086 2.782 10.229 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.027 3.079 9.461 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.191 2.489 11.439 1.00 10.00 O ATOM 0 H GLU A 22 7.247 2.750 9.004 1.00 10.00 H new ATOM 0 HA GLU A 22 8.031 4.607 10.914 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.192 4.252 8.132 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.009 4.908 9.537 1.00 10.00 H new ATOM 0 HG2 GLU A 22 8.970 2.382 10.361 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.647 2.118 8.766 1.00 10.00 H new ATOM 337 N LYS A 23 7.009 5.962 8.088 1.00 10.00 N ATOM 338 CA LYS A 23 6.534 7.197 7.490 1.00 10.00 C ATOM 339 C LYS A 23 5.019 7.300 7.676 1.00 10.00 C ATOM 340 O LYS A 23 4.524 8.275 8.238 1.00 10.00 O ATOM 341 CB LYS A 23 6.983 7.293 6.029 1.00 10.00 C ATOM 342 CG LYS A 23 8.508 7.342 5.927 1.00 10.00 C ATOM 343 CD LYS A 23 8.950 8.163 4.714 1.00 10.00 C ATOM 344 CE LYS A 23 10.156 7.520 4.026 1.00 10.00 C ATOM 345 NZ LYS A 23 10.983 8.551 3.360 1.00 10.00 N ATOM 0 H LYS A 23 6.986 5.152 7.469 1.00 10.00 H new ATOM 0 HA LYS A 23 6.976 8.058 7.992 1.00 10.00 H new ATOM 0 HB2 LYS A 23 6.605 6.436 5.471 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.555 8.185 5.571 1.00 10.00 H new ATOM 0 HG2 LYS A 23 8.923 7.777 6.836 1.00 10.00 H new ATOM 0 HG3 LYS A 23 8.904 6.329 5.849 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.125 8.246 4.007 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.203 9.175 5.029 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.756 6.982 4.759 1.00 10.00 H new ATOM 0 HE3 LYS A 23 9.817 6.788 3.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 11.797 8.098 2.898 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 10.412 9.047 2.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.322 9.234 4.067 1.00 10.00 H new ATOM 359 N LEU A 24 4.326 6.279 7.192 1.00 10.00 N ATOM 360 CA LEU A 24 2.877 6.242 7.298 1.00 10.00 C ATOM 361 C LEU A 24 2.465 6.595 8.728 1.00 10.00 C ATOM 362 O LEU A 24 2.163 7.751 9.023 1.00 10.00 O ATOM 363 CB LEU A 24 2.340 4.892 6.819 1.00 10.00 C ATOM 364 CG LEU A 24 2.416 4.635 5.313 1.00 10.00 C ATOM 365 CD1 LEU A 24 3.867 4.476 4.856 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.556 3.433 4.917 1.00 10.00 C ATOM 0 H LEU A 24 4.741 5.472 6.726 1.00 10.00 H new ATOM 0 HA LEU A 24 2.428 6.989 6.643 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.891 4.102 7.330 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.299 4.807 7.130 1.00 10.00 H new ATOM 0 HG LEU A 24 2.010 5.505 4.798 1.00 10.00 H new ATOM 0 HD11 LEU A 24 3.892 4.294 3.782 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.422 5.386 5.083 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.322 3.634 5.377 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.628 3.273 3.841 1.00 10.00 H new ATOM 0 HD22 LEU A 24 1.909 2.545 5.441 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.517 3.624 5.186 1.00 10.00 H new ATOM 378 N GLY A 25 2.466 5.580 9.579 1.00 10.00 N ATOM 379 CA GLY A 25 2.096 5.769 10.971 1.00 10.00 C ATOM 380 C GLY A 25 0.858 4.945 11.327 1.00 10.00 C ATOM 381 O GLY A 25 0.133 5.278 12.263 1.00 10.00 O ATOM 0 H GLY A 25 2.717 4.623 9.331 1.00 10.00 H new ATOM 0 HA2 GLY A 25 2.927 5.479 11.614 1.00 10.00 H new ATOM 0 HA3 GLY A 25 1.901 6.825 11.159 1.00 10.00 H new ATOM 385 N CYS A 26 0.651 3.884 10.560 1.00 10.00 N ATOM 386 CA CYS A 26 -0.487 3.010 10.781 1.00 10.00 C ATOM 387 C CYS A 26 -1.761 3.783 10.436 1.00 10.00 C ATOM 388 O CYS A 26 -2.421 3.486 9.441 1.00 10.00 O ATOM 389 CB CYS A 26 -0.516 2.471 12.213 1.00 10.00 C ATOM 390 SG CYS A 26 1.110 2.432 13.052 1.00 10.00 S ATOM 0 H CYS A 26 1.254 3.610 9.784 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.408 2.136 10.135 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.199 3.083 12.803 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.925 1.461 12.198 1.00 10.00 H new ATOM 395 N ASP A 27 -2.069 4.760 11.277 1.00 10.00 N ATOM 396 CA ASP A 27 -3.252 5.578 11.073 1.00 10.00 C ATOM 397 C ASP A 27 -3.409 5.878 9.581 1.00 10.00 C ATOM 398 O ASP A 27 -4.525 6.035 9.089 1.00 10.00 O ATOM 399 CB ASP A 27 -3.134 6.911 11.814 1.00 10.00 C ATOM 400 CG ASP A 27 -2.969 6.795 13.330 1.00 10.00 C ATOM 401 OD1 ASP A 27 -3.727 5.999 13.925 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.089 7.507 13.862 1.00 10.00 O ATOM 0 H ASP A 27 -1.519 5.003 12.101 1.00 10.00 H new ATOM 0 HA ASP A 27 -4.112 5.028 11.455 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -2.282 7.459 11.412 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -4.023 7.506 11.605 1.00 10.00 H new ATOM 407 N ALA A 28 -2.272 5.950 8.902 1.00 10.00 N ATOM 408 CA ALA A 28 -2.269 6.229 7.476 1.00 10.00 C ATOM 409 C ALA A 28 -3.225 5.266 6.771 1.00 10.00 C ATOM 410 O ALA A 28 -3.993 5.673 5.900 1.00 10.00 O ATOM 411 CB ALA A 28 -0.840 6.130 6.940 1.00 10.00 C ATOM 0 H ALA A 28 -1.348 5.820 9.313 1.00 10.00 H new ATOM 0 HA ALA A 28 -2.620 7.242 7.282 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.837 6.339 5.870 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -0.208 6.855 7.453 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.455 5.125 7.114 1.00 10.00 H new ATOM 417 N CYS A 29 -3.147 4.005 7.172 1.00 10.00 N ATOM 418 CA CYS A 29 -3.996 2.980 6.588 1.00 10.00 C ATOM 419 C CYS A 29 -5.093 2.634 7.596 1.00 10.00 C ATOM 420 O CYS A 29 -6.276 2.638 7.257 1.00 10.00 O ATOM 421 CB CYS A 29 -3.190 1.746 6.176 1.00 10.00 C ATOM 422 SG CYS A 29 -1.595 2.110 5.356 1.00 10.00 S ATOM 0 H CYS A 29 -2.509 3.670 7.894 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.451 3.358 5.673 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.997 1.143 7.063 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.798 1.140 5.504 1.00 10.00 H new ATOM 0 HG CYS A 29 -1.606 3.330 4.908 1.00 10.00 H new ATOM 427 N HIS A 30 -4.663 2.343 8.814 1.00 10.00 N ATOM 428 CA HIS A 30 -5.594 1.996 9.874 1.00 10.00 C ATOM 429 C HIS A 30 -5.883 3.231 10.730 1.00 10.00 C ATOM 430 O HIS A 30 -5.785 4.360 10.250 1.00 10.00 O ATOM 431 CB HIS A 30 -5.070 0.816 10.694 1.00 10.00 C ATOM 432 CG HIS A 30 -4.412 -0.263 9.867 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.993 -1.500 9.650 1.00 10.00 N ATOM 434 CD2 HIS A 30 -3.219 -0.277 9.206 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.177 -2.218 8.892 1.00 10.00 C ATOM 436 NE2 HIS A 30 -3.078 -1.459 8.618 1.00 10.00 N ATOM 0 H HIS A 30 -3.681 2.340 9.091 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.539 1.670 9.439 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.353 1.186 11.427 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.898 0.378 11.251 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.896 -1.807 10.012 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.509 0.536 9.167 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.352 -3.228 8.551 1.00 10.00 H new ATOM 444 N GLU A 31 -6.233 2.975 11.981 1.00 10.00 N ATOM 445 CA GLU A 31 -6.536 4.052 12.909 1.00 10.00 C ATOM 446 C GLU A 31 -5.952 3.745 14.290 1.00 10.00 C ATOM 447 O GLU A 31 -4.996 2.980 14.406 1.00 10.00 O ATOM 448 CB GLU A 31 -8.044 4.295 12.993 1.00 10.00 C ATOM 449 CG GLU A 31 -8.669 4.351 11.598 1.00 10.00 C ATOM 450 CD GLU A 31 -9.425 3.058 11.283 1.00 10.00 C ATOM 451 OE1 GLU A 31 -8.769 1.994 11.319 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.641 3.162 11.013 1.00 10.00 O ATOM 0 H GLU A 31 -6.314 2.037 12.375 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.074 4.966 12.537 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.512 3.500 13.573 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.237 5.230 13.519 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.350 5.199 11.535 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.890 4.512 10.853 1.00 10.00 H new ATOM 459 N GLY A 32 -6.552 4.356 15.300 1.00 10.00 N ATOM 460 CA GLY A 32 -6.104 4.158 16.667 1.00 10.00 C ATOM 461 C GLY A 32 -6.026 2.668 17.008 1.00 10.00 C ATOM 462 O GLY A 32 -5.331 2.277 17.945 1.00 10.00 O ATOM 0 H GLY A 32 -7.345 4.989 15.199 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -5.125 4.618 16.803 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -6.788 4.657 17.354 1.00 10.00 H new ATOM 466 N THR A 33 -6.749 1.877 16.229 1.00 10.00 N ATOM 467 CA THR A 33 -6.770 0.439 16.436 1.00 10.00 C ATOM 468 C THR A 33 -7.043 -0.286 15.116 1.00 10.00 C ATOM 469 O THR A 33 -8.162 -0.255 14.607 1.00 10.00 O ATOM 470 CB THR A 33 -7.803 0.133 17.522 1.00 10.00 C ATOM 471 OG1 THR A 33 -7.228 0.671 18.709 1.00 10.00 O ATOM 472 CG2 THR A 33 -7.923 -1.365 17.811 1.00 10.00 C ATOM 0 H THR A 33 -7.325 2.205 15.453 1.00 10.00 H new ATOM 0 HA THR A 33 -5.801 0.074 16.777 1.00 10.00 H new ATOM 0 HB THR A 33 -8.775 0.523 17.219 1.00 10.00 H new ATOM 0 HG1 THR A 33 -6.309 0.958 18.526 1.00 10.00 H new ATOM 0 HG21 THR A 33 -8.669 -1.527 18.589 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.226 -1.888 16.904 1.00 10.00 H new ATOM 0 HG23 THR A 33 -6.960 -1.749 18.147 1.00 10.00 H new ATOM 480 N PRO A 34 -5.974 -0.938 14.587 1.00 10.00 N ATOM 481 CA PRO A 34 -6.087 -1.670 13.336 1.00 10.00 C ATOM 482 C PRO A 34 -6.835 -2.988 13.539 1.00 10.00 C ATOM 483 O PRO A 34 -7.485 -3.187 14.564 1.00 10.00 O ATOM 484 CB PRO A 34 -4.655 -1.865 12.864 1.00 10.00 C ATOM 485 CG PRO A 34 -3.780 -1.649 14.087 1.00 10.00 C ATOM 486 CD PRO A 34 -4.633 -0.996 15.162 1.00 10.00 C ATOM 0 HA PRO A 34 -6.670 -1.135 12.586 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.512 -2.864 12.453 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.404 -1.157 12.074 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.380 -2.599 14.442 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.928 -1.016 13.839 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.622 -1.578 16.084 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.265 -0.000 15.409 1.00 10.00 H new ATOM 494 N ALA A 35 -6.718 -3.857 12.545 1.00 10.00 N ATOM 495 CA ALA A 35 -7.375 -5.151 12.601 1.00 10.00 C ATOM 496 C ALA A 35 -7.135 -5.898 11.287 1.00 10.00 C ATOM 497 O ALA A 35 -6.731 -7.060 11.295 1.00 10.00 O ATOM 498 CB ALA A 35 -8.864 -4.956 12.896 1.00 10.00 C ATOM 0 H ALA A 35 -6.178 -3.690 11.696 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.959 -5.757 13.406 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.357 -5.927 12.938 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.982 -4.448 13.853 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.315 -4.354 12.107 1.00 10.00 H new ATOM 504 N LYS A 36 -7.392 -5.200 10.191 1.00 10.00 N ATOM 505 CA LYS A 36 -7.208 -5.783 8.872 1.00 10.00 C ATOM 506 C LYS A 36 -7.535 -4.734 7.806 1.00 10.00 C ATOM 507 O LYS A 36 -7.865 -3.595 8.132 1.00 10.00 O ATOM 508 CB LYS A 36 -8.021 -7.071 8.737 1.00 10.00 C ATOM 509 CG LYS A 36 -9.438 -6.776 8.239 1.00 10.00 C ATOM 510 CD LYS A 36 -9.609 -7.215 6.783 1.00 10.00 C ATOM 511 CE LYS A 36 -10.413 -8.514 6.694 1.00 10.00 C ATOM 512 NZ LYS A 36 -11.849 -8.252 6.940 1.00 10.00 N ATOM 0 H LYS A 36 -7.726 -4.236 10.189 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.168 -6.074 8.726 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.522 -7.749 8.045 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.069 -7.578 9.701 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.163 -7.294 8.867 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.644 -5.709 8.328 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.115 -6.431 6.220 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -8.630 -7.356 6.324 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -10.283 -8.963 5.709 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.038 -9.232 7.424 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.400 -9.108 6.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.988 -7.989 7.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.170 -7.474 6.329 1.00 10.00 H new ATOM 526 N ILE A 37 -7.432 -5.157 6.555 1.00 10.00 N ATOM 527 CA ILE A 37 -7.712 -4.271 5.439 1.00 10.00 C ATOM 528 C ILE A 37 -8.231 -5.092 4.258 1.00 10.00 C ATOM 529 O ILE A 37 -7.846 -6.247 4.083 1.00 10.00 O ATOM 530 CB ILE A 37 -6.483 -3.422 5.107 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.095 -2.532 6.289 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.705 -2.612 3.829 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.022 -1.520 5.885 1.00 10.00 C ATOM 0 H ILE A 37 -7.158 -6.103 6.290 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.497 -3.563 5.703 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.645 -4.094 4.921 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.976 -2.006 6.657 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.727 -3.150 7.108 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.816 -2.018 3.616 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.896 -3.290 2.997 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.561 -1.950 3.962 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.765 -0.900 6.744 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.134 -2.050 5.541 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.402 -0.888 5.082 1.00 10.00 H new ATOM 545 N ALA A 38 -9.096 -4.463 3.475 1.00 10.00 N ATOM 546 CA ALA A 38 -9.671 -5.121 2.314 1.00 10.00 C ATOM 547 C ALA A 38 -8.830 -4.793 1.079 1.00 10.00 C ATOM 548 O ALA A 38 -8.985 -3.727 0.485 1.00 10.00 O ATOM 549 CB ALA A 38 -11.132 -4.695 2.157 1.00 10.00 C ATOM 0 H ALA A 38 -9.412 -3.505 3.622 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.660 -6.204 2.441 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.563 -5.189 1.286 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.691 -4.978 3.049 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.184 -3.614 2.024 1.00 10.00 H new ATOM 555 N ILE A 39 -7.960 -5.728 0.728 1.00 10.00 N ATOM 556 CA ILE A 39 -7.096 -5.551 -0.426 1.00 10.00 C ATOM 557 C ILE A 39 -7.292 -6.724 -1.389 1.00 10.00 C ATOM 558 O ILE A 39 -7.501 -7.857 -0.960 1.00 10.00 O ATOM 559 CB ILE A 39 -5.644 -5.355 0.016 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.480 -4.048 0.795 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.691 -5.434 -1.177 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.184 -2.881 -0.150 1.00 10.00 C ATOM 0 H ILE A 39 -7.835 -6.611 1.223 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.365 -4.644 -0.968 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.381 -6.169 0.692 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -6.388 -3.841 1.361 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.670 -4.150 1.518 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.666 -5.291 -0.834 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.782 -6.411 -1.651 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.944 -4.656 -1.897 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.072 -1.964 0.428 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.262 -3.080 -0.697 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.007 -2.767 -0.856 1.00 10.00 H new ATOM 574 N ASP A 40 -7.217 -6.411 -2.675 1.00 10.00 N ATOM 575 CA ASP A 40 -7.383 -7.424 -3.702 1.00 10.00 C ATOM 576 C ASP A 40 -7.188 -6.785 -5.079 1.00 10.00 C ATOM 577 O ASP A 40 -6.218 -7.084 -5.774 1.00 10.00 O ATOM 578 CB ASP A 40 -8.788 -8.028 -3.657 1.00 10.00 C ATOM 579 CG ASP A 40 -8.874 -9.497 -4.077 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.870 -9.986 -4.639 1.00 10.00 O ATOM 581 OD2 ASP A 40 -9.942 -10.097 -3.828 1.00 10.00 O ATOM 0 H ASP A 40 -7.043 -5.470 -3.028 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.647 -8.208 -3.525 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -9.176 -7.932 -2.643 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.440 -7.442 -4.304 1.00 10.00 H new ATOM 586 N LYS A 41 -8.124 -5.917 -5.432 1.00 10.00 N ATOM 587 CA LYS A 41 -8.067 -5.234 -6.713 1.00 10.00 C ATOM 588 C LYS A 41 -9.250 -4.270 -6.825 1.00 10.00 C ATOM 589 O LYS A 41 -10.149 -4.476 -7.639 1.00 10.00 O ATOM 590 CB LYS A 41 -7.988 -6.246 -7.857 1.00 10.00 C ATOM 591 CG LYS A 41 -7.202 -5.676 -9.040 1.00 10.00 C ATOM 592 CD LYS A 41 -8.121 -5.419 -10.236 1.00 10.00 C ATOM 593 CE LYS A 41 -7.335 -4.847 -11.417 1.00 10.00 C ATOM 594 NZ LYS A 41 -7.593 -5.637 -12.642 1.00 10.00 N ATOM 0 H LYS A 41 -8.927 -5.671 -4.853 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.159 -4.635 -6.785 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -7.511 -7.161 -7.506 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.994 -6.515 -8.180 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -6.716 -4.746 -8.744 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -6.413 -6.372 -9.326 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -8.606 -6.349 -10.533 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.911 -4.725 -9.950 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -7.619 -3.807 -11.581 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -6.269 -4.855 -11.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -6.839 -5.458 -13.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -7.612 -6.649 -12.405 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -8.509 -5.359 -13.048 1.00 10.00 H new ATOM 608 N LYS A 42 -9.211 -3.237 -5.996 1.00 10.00 N ATOM 609 CA LYS A 42 -10.269 -2.241 -5.992 1.00 10.00 C ATOM 610 C LYS A 42 -9.836 -1.047 -5.137 1.00 10.00 C ATOM 611 O LYS A 42 -9.661 0.057 -5.651 1.00 10.00 O ATOM 612 CB LYS A 42 -11.593 -2.867 -5.549 1.00 10.00 C ATOM 613 CG LYS A 42 -12.770 -2.257 -6.314 1.00 10.00 C ATOM 614 CD LYS A 42 -13.562 -3.339 -7.052 1.00 10.00 C ATOM 615 CE LYS A 42 -15.020 -2.914 -7.247 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.678 -3.768 -8.260 1.00 10.00 N ATOM 0 H LYS A 42 -8.464 -3.068 -5.323 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.443 -1.865 -7.000 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.564 -3.944 -5.716 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.732 -2.714 -4.479 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -13.426 -1.730 -5.621 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.402 -1.520 -7.028 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.103 -3.533 -8.021 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.523 -4.271 -6.489 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.555 -2.985 -6.300 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.062 -1.871 -7.560 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.666 -3.466 -8.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.177 -3.680 -9.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -15.655 -4.759 -7.946 1.00 10.00 H new ATOM 630 N SER A 43 -9.677 -1.310 -3.849 1.00 10.00 N ATOM 631 CA SER A 43 -9.269 -0.272 -2.919 1.00 10.00 C ATOM 632 C SER A 43 -7.771 0.003 -3.065 1.00 10.00 C ATOM 633 O SER A 43 -7.353 1.157 -3.153 1.00 10.00 O ATOM 634 CB SER A 43 -9.597 -0.664 -1.476 1.00 10.00 C ATOM 635 OG SER A 43 -10.334 0.351 -0.801 1.00 10.00 O ATOM 0 H SER A 43 -9.823 -2.227 -3.427 1.00 10.00 H new ATOM 0 HA SER A 43 -9.824 0.636 -3.156 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.171 -1.591 -1.474 1.00 10.00 H new ATOM 0 HB3 SER A 43 -8.672 -0.861 -0.935 1.00 10.00 H new ATOM 0 HG SER A 43 -10.525 0.062 0.116 1.00 10.00 H new ATOM 641 N ALA A 44 -7.003 -1.076 -3.090 1.00 10.00 N ATOM 642 CA ALA A 44 -5.561 -0.966 -3.224 1.00 10.00 C ATOM 643 C ALA A 44 -5.231 -0.154 -4.480 1.00 10.00 C ATOM 644 O ALA A 44 -4.121 0.358 -4.618 1.00 10.00 O ATOM 645 CB ALA A 44 -4.942 -2.365 -3.257 1.00 10.00 C ATOM 0 H ALA A 44 -7.353 -2.032 -3.020 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.135 -0.441 -2.369 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.860 -2.282 -3.358 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.181 -2.891 -2.333 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.343 -2.921 -4.104 1.00 10.00 H new ATOM 651 N HIS A 45 -6.216 -0.061 -5.360 1.00 10.00 N ATOM 652 CA HIS A 45 -6.045 0.680 -6.598 1.00 10.00 C ATOM 653 C HIS A 45 -6.707 2.053 -6.471 1.00 10.00 C ATOM 654 O HIS A 45 -6.792 2.798 -7.445 1.00 10.00 O ATOM 655 CB HIS A 45 -6.570 -0.124 -7.790 1.00 10.00 C ATOM 656 CG HIS A 45 -5.592 -1.145 -8.320 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.984 -2.227 -9.091 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.239 -1.238 -8.185 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.905 -2.933 -9.398 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.824 -2.319 -8.835 1.00 10.00 N ATOM 0 H HIS A 45 -7.135 -0.486 -5.241 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.983 0.844 -6.784 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.488 -0.633 -7.496 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.831 0.565 -8.593 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.940 -2.443 -9.374 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.610 -0.549 -7.641 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.885 -3.836 -9.990 1.00 10.00 H new ATOM 668 N LYS A 46 -7.161 2.345 -5.261 1.00 10.00 N ATOM 669 CA LYS A 46 -7.815 3.615 -4.993 1.00 10.00 C ATOM 670 C LYS A 46 -7.004 4.391 -3.953 1.00 10.00 C ATOM 671 O LYS A 46 -5.838 4.083 -3.713 1.00 10.00 O ATOM 672 CB LYS A 46 -9.274 3.393 -4.594 1.00 10.00 C ATOM 673 CG LYS A 46 -10.224 3.928 -5.668 1.00 10.00 C ATOM 674 CD LYS A 46 -11.541 3.150 -5.672 1.00 10.00 C ATOM 675 CE LYS A 46 -11.969 2.803 -7.099 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.091 3.666 -7.529 1.00 10.00 N ATOM 0 H LYS A 46 -7.089 1.724 -4.455 1.00 10.00 H new ATOM 0 HA LYS A 46 -7.846 4.226 -5.895 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.455 2.329 -4.441 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.475 3.890 -3.645 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.422 4.985 -5.489 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -9.751 3.854 -6.647 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.429 2.235 -5.090 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.319 3.742 -5.189 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -11.126 2.928 -7.778 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.268 1.756 -7.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.368 3.417 -8.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.900 3.527 -6.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -12.794 4.662 -7.499 1.00 10.00 H new ATOM 690 N ASP A 47 -7.654 5.383 -3.363 1.00 10.00 N ATOM 691 CA ASP A 47 -7.008 6.206 -2.354 1.00 10.00 C ATOM 692 C ASP A 47 -6.219 5.309 -1.399 1.00 10.00 C ATOM 693 O ASP A 47 -5.232 5.742 -0.807 1.00 10.00 O ATOM 694 CB ASP A 47 -8.040 6.980 -1.531 1.00 10.00 C ATOM 695 CG ASP A 47 -9.100 7.717 -2.351 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.994 7.021 -2.879 1.00 10.00 O ATOM 697 OD2 ASP A 47 -8.992 8.960 -2.432 1.00 10.00 O ATOM 0 H ASP A 47 -8.621 5.636 -3.564 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.351 6.911 -2.864 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -8.542 6.284 -0.858 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -7.516 7.704 -0.908 1.00 10.00 H new ATOM 702 N ALA A 48 -6.682 4.073 -1.280 1.00 10.00 N ATOM 703 CA ALA A 48 -6.032 3.110 -0.407 1.00 10.00 C ATOM 704 C ALA A 48 -4.514 3.264 -0.527 1.00 10.00 C ATOM 705 O ALA A 48 -3.824 3.447 0.475 1.00 10.00 O ATOM 706 CB ALA A 48 -6.504 1.699 -0.762 1.00 10.00 C ATOM 0 H ALA A 48 -7.500 3.716 -1.774 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.301 3.292 0.633 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.016 0.977 -0.107 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.584 1.634 -0.634 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.248 1.480 -1.799 1.00 10.00 H new ATOM 712 N CYS A 49 -4.038 3.184 -1.762 1.00 10.00 N ATOM 713 CA CYS A 49 -2.616 3.312 -2.025 1.00 10.00 C ATOM 714 C CYS A 49 -2.408 4.494 -2.973 1.00 10.00 C ATOM 715 O CYS A 49 -1.661 5.421 -2.661 1.00 10.00 O ATOM 716 CB CYS A 49 -2.026 2.017 -2.589 1.00 10.00 C ATOM 717 SG CYS A 49 -2.322 0.529 -1.565 1.00 10.00 S ATOM 0 H CYS A 49 -4.613 3.032 -2.591 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.086 3.499 -1.091 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.443 1.847 -3.582 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -0.951 2.148 -2.713 1.00 10.00 H new ATOM 0 HG CYS A 49 -1.984 0.775 -0.334 1.00 10.00 H new ATOM 722 N LYS A 50 -3.080 4.424 -4.112 1.00 10.00 N ATOM 723 CA LYS A 50 -2.978 5.478 -5.108 1.00 10.00 C ATOM 724 C LYS A 50 -2.750 6.817 -4.406 1.00 10.00 C ATOM 725 O LYS A 50 -1.629 7.323 -4.375 1.00 10.00 O ATOM 726 CB LYS A 50 -4.201 5.466 -6.028 1.00 10.00 C ATOM 727 CG LYS A 50 -3.945 4.611 -7.270 1.00 10.00 C ATOM 728 CD LYS A 50 -3.857 5.480 -8.526 1.00 10.00 C ATOM 729 CE LYS A 50 -4.987 5.149 -9.502 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.458 4.432 -10.684 1.00 10.00 N ATOM 0 H LYS A 50 -3.698 3.654 -4.368 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.118 5.307 -5.756 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.064 5.078 -5.487 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.445 6.485 -6.328 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.018 4.051 -7.145 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -4.746 3.881 -7.384 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.908 6.533 -8.248 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.894 5.325 -9.013 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -5.738 4.536 -9.004 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -5.483 6.067 -9.818 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.238 4.215 -11.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.758 5.030 -11.168 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.005 3.547 -10.379 1.00 10.00 H new ATOM 744 N THR A 51 -3.830 7.353 -3.857 1.00 10.00 N ATOM 745 CA THR A 51 -3.762 8.625 -3.156 1.00 10.00 C ATOM 746 C THR A 51 -2.411 8.774 -2.453 1.00 10.00 C ATOM 747 O THR A 51 -1.508 9.429 -2.968 1.00 10.00 O ATOM 748 CB THR A 51 -4.956 8.703 -2.202 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.050 9.052 -3.045 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.847 9.876 -1.225 1.00 10.00 C ATOM 0 H THR A 51 -4.758 6.930 -3.883 1.00 10.00 H new ATOM 0 HA THR A 51 -3.826 9.464 -3.849 1.00 10.00 H new ATOM 0 HB THR A 51 -5.037 7.771 -1.642 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.697 9.585 -2.537 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.719 9.887 -0.570 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.944 9.767 -0.625 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.801 10.811 -1.783 1.00 10.00 H new ATOM 758 N CYS A 52 -2.317 8.154 -1.285 1.00 10.00 N ATOM 759 CA CYS A 52 -1.091 8.210 -0.505 1.00 10.00 C ATOM 760 C CYS A 52 0.025 7.551 -1.318 1.00 10.00 C ATOM 761 O CYS A 52 0.257 6.349 -1.199 1.00 10.00 O ATOM 762 CB CYS A 52 -1.263 7.553 0.866 1.00 10.00 C ATOM 763 SG CYS A 52 -0.014 8.040 2.112 1.00 10.00 S ATOM 0 H CYS A 52 -3.069 7.611 -0.860 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.830 9.249 -0.306 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -2.253 7.799 1.249 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -1.229 6.471 0.742 1.00 10.00 H new ATOM 768 N HIS A 53 0.687 8.366 -2.125 1.00 10.00 N ATOM 769 CA HIS A 53 1.773 7.877 -2.956 1.00 10.00 C ATOM 770 C HIS A 53 2.101 8.913 -4.034 1.00 10.00 C ATOM 771 O HIS A 53 3.221 9.417 -4.095 1.00 10.00 O ATOM 772 CB HIS A 53 1.437 6.502 -3.536 1.00 10.00 C ATOM 773 CG HIS A 53 2.230 5.369 -2.931 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.614 5.344 -2.921 1.00 10.00 N ATOM 775 CD2 HIS A 53 1.820 4.223 -2.315 1.00 10.00 C ATOM 776 CE1 HIS A 53 4.008 4.229 -2.324 1.00 10.00 C ATOM 777 NE2 HIS A 53 2.894 3.535 -1.950 1.00 10.00 N ATOM 0 H HIS A 53 0.492 9.363 -2.221 1.00 10.00 H new ATOM 0 HA HIS A 53 2.668 7.741 -2.349 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.375 6.307 -3.389 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.612 6.520 -4.612 1.00 10.00 H new ATOM 0 HD1 HIS A 53 4.226 6.062 -3.308 1.00 10.00 H new ATOM 0 HD2 HIS A 53 0.795 3.926 -2.152 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.031 3.923 -2.162 1.00 10.00 H new ATOM 785 N LYS A 54 1.103 9.198 -4.857 1.00 10.00 N ATOM 786 CA LYS A 54 1.270 10.163 -5.930 1.00 10.00 C ATOM 787 C LYS A 54 1.302 11.574 -5.339 1.00 10.00 C ATOM 788 O LYS A 54 0.393 12.370 -5.572 1.00 10.00 O ATOM 789 CB LYS A 54 0.193 9.969 -6.999 1.00 10.00 C ATOM 790 CG LYS A 54 -1.206 10.001 -6.380 1.00 10.00 C ATOM 791 CD LYS A 54 -2.271 10.270 -7.446 1.00 10.00 C ATOM 792 CE LYS A 54 -3.475 9.344 -7.263 1.00 10.00 C ATOM 793 NZ LYS A 54 -4.658 9.887 -7.968 1.00 10.00 N ATOM 0 H LYS A 54 0.175 8.777 -4.802 1.00 10.00 H new ATOM 0 HA LYS A 54 2.222 10.007 -6.438 1.00 10.00 H new ATOM 0 HB2 LYS A 54 0.279 10.751 -7.753 1.00 10.00 H new ATOM 0 HB3 LYS A 54 0.348 9.018 -7.508 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.411 9.051 -5.887 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.251 10.774 -5.613 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.595 11.309 -7.388 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -1.843 10.124 -8.438 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.239 8.351 -7.647 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -3.697 9.231 -6.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -5.466 9.247 -7.834 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.891 10.825 -7.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -4.448 9.972 -8.983 1.00 10.00 H new ATOM 807 N SER A 55 2.359 11.842 -4.585 1.00 10.00 N ATOM 808 CA SER A 55 2.521 13.144 -3.960 1.00 10.00 C ATOM 809 C SER A 55 4.008 13.486 -3.841 1.00 10.00 C ATOM 810 O SER A 55 4.420 14.599 -4.162 1.00 10.00 O ATOM 811 CB SER A 55 1.856 13.179 -2.582 1.00 10.00 C ATOM 812 OG SER A 55 0.493 13.588 -2.658 1.00 10.00 O ATOM 0 H SER A 55 3.111 11.180 -4.393 1.00 10.00 H new ATOM 0 HA SER A 55 2.033 13.889 -4.589 1.00 10.00 H new ATOM 0 HB2 SER A 55 1.913 12.190 -2.127 1.00 10.00 H new ATOM 0 HB3 SER A 55 2.404 13.861 -1.932 1.00 10.00 H new ATOM 0 HG SER A 55 0.124 13.335 -3.530 1.00 10.00 H new ATOM 818 N ASN A 56 4.772 12.507 -3.379 1.00 10.00 N ATOM 819 CA ASN A 56 6.204 12.690 -3.214 1.00 10.00 C ATOM 820 C ASN A 56 6.943 11.913 -4.306 1.00 10.00 C ATOM 821 O ASN A 56 7.555 12.510 -5.190 1.00 10.00 O ATOM 822 CB ASN A 56 6.673 12.161 -1.857 1.00 10.00 C ATOM 823 CG ASN A 56 7.790 13.037 -1.284 1.00 10.00 C ATOM 824 OD1 ASN A 56 8.959 12.691 -1.306 1.00 10.00 O ATOM 825 ND2 ASN A 56 7.364 14.188 -0.770 1.00 10.00 N ATOM 0 H ASN A 56 4.426 11.585 -3.114 1.00 10.00 H new ATOM 0 HA ASN A 56 6.418 13.757 -3.279 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.833 12.135 -1.162 1.00 10.00 H new ATOM 0 HB3 ASN A 56 7.029 11.136 -1.965 1.00 10.00 H new ATOM 0 HD21 ASN A 56 8.032 14.842 -0.362 1.00 10.00 H new ATOM 0 HD22 ASN A 56 6.370 14.416 -0.784 1.00 10.00 H new ATOM 832 N ASN A 57 6.860 10.595 -4.207 1.00 10.00 N ATOM 833 CA ASN A 57 7.513 9.730 -5.175 1.00 10.00 C ATOM 834 C ASN A 57 7.135 8.275 -4.891 1.00 10.00 C ATOM 835 O ASN A 57 6.732 7.942 -3.777 1.00 10.00 O ATOM 836 CB ASN A 57 9.035 9.850 -5.082 1.00 10.00 C ATOM 837 CG ASN A 57 9.720 8.612 -5.663 1.00 10.00 C ATOM 838 OD1 ASN A 57 9.877 7.621 -4.790 1.00 10.00 O flip ATOM 839 ND2 ASN A 57 10.081 8.559 -6.828 1.00 10.00 N flip ATOM 0 H ASN A 57 6.351 10.105 -3.472 1.00 10.00 H new ATOM 0 HA ASN A 57 7.187 10.032 -6.170 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.367 10.739 -5.619 1.00 10.00 H new ATOM 0 HB3 ASN A 57 9.330 9.978 -4.041 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.930 9.357 -7.446 1.00 10.00 H new ATOM 0 HD22 ASN A 57 10.534 7.717 -7.184 1.00 10.00 H new ATOM 846 N GLY A 58 7.279 7.448 -5.916 1.00 10.00 N ATOM 847 CA GLY A 58 6.958 6.037 -5.790 1.00 10.00 C ATOM 848 C GLY A 58 6.178 5.541 -7.009 1.00 10.00 C ATOM 849 O GLY A 58 6.324 6.081 -8.105 1.00 10.00 O ATOM 0 H GLY A 58 7.614 7.728 -6.838 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.876 5.460 -5.682 1.00 10.00 H new ATOM 0 HA3 GLY A 58 6.370 5.873 -4.887 1.00 10.00 H new ATOM 853 N PRO A 59 5.346 4.491 -6.772 1.00 10.00 N ATOM 854 CA PRO A 59 4.543 3.916 -7.838 1.00 10.00 C ATOM 855 C PRO A 59 3.359 4.822 -8.182 1.00 10.00 C ATOM 856 O PRO A 59 2.679 5.326 -7.291 1.00 10.00 O ATOM 857 CB PRO A 59 4.118 2.554 -7.317 1.00 10.00 C ATOM 858 CG PRO A 59 4.304 2.605 -5.810 1.00 10.00 C ATOM 859 CD PRO A 59 5.148 3.827 -5.487 1.00 10.00 C ATOM 0 HA PRO A 59 5.093 3.816 -8.774 1.00 10.00 H new ATOM 0 HB2 PRO A 59 3.080 2.344 -7.575 1.00 10.00 H new ATOM 0 HB3 PRO A 59 4.723 1.762 -7.758 1.00 10.00 H new ATOM 0 HG2 PRO A 59 3.338 2.664 -5.308 1.00 10.00 H new ATOM 0 HG3 PRO A 59 4.793 1.698 -5.455 1.00 10.00 H new ATOM 0 HD2 PRO A 59 4.642 4.481 -4.777 1.00 10.00 H new ATOM 0 HD3 PRO A 59 6.099 3.543 -5.037 1.00 10.00 H new ATOM 867 N THR A 60 3.150 5.001 -9.478 1.00 10.00 N ATOM 868 CA THR A 60 2.060 5.836 -9.952 1.00 10.00 C ATOM 869 C THR A 60 1.866 5.657 -11.459 1.00 10.00 C ATOM 870 O THR A 60 0.735 5.617 -11.942 1.00 10.00 O ATOM 871 CB THR A 60 2.361 7.281 -9.546 1.00 10.00 C ATOM 872 OG1 THR A 60 1.861 7.378 -8.215 1.00 10.00 O ATOM 873 CG2 THR A 60 1.528 8.296 -10.331 1.00 10.00 C ATOM 0 H THR A 60 3.717 4.582 -10.215 1.00 10.00 H new ATOM 0 HA THR A 60 1.113 5.545 -9.498 1.00 10.00 H new ATOM 0 HB THR A 60 3.421 7.487 -9.697 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.686 6.480 -7.865 1.00 10.00 H new ATOM 0 HG21 THR A 60 1.781 9.305 -10.004 1.00 10.00 H new ATOM 0 HG22 THR A 60 1.741 8.196 -11.395 1.00 10.00 H new ATOM 0 HG23 THR A 60 0.468 8.112 -10.154 1.00 10.00 H new ATOM 881 N LYS A 61 2.986 5.553 -12.159 1.00 10.00 N ATOM 882 CA LYS A 61 2.954 5.379 -13.601 1.00 10.00 C ATOM 883 C LYS A 61 2.814 3.891 -13.927 1.00 10.00 C ATOM 884 O LYS A 61 3.509 3.376 -14.803 1.00 10.00 O ATOM 885 CB LYS A 61 4.172 6.039 -14.248 1.00 10.00 C ATOM 886 CG LYS A 61 5.444 5.236 -13.968 1.00 10.00 C ATOM 887 CD LYS A 61 6.694 6.080 -14.226 1.00 10.00 C ATOM 888 CE LYS A 61 7.421 5.613 -15.489 1.00 10.00 C ATOM 889 NZ LYS A 61 8.431 6.611 -15.904 1.00 10.00 N ATOM 0 H LYS A 61 3.922 5.586 -11.754 1.00 10.00 H new ATOM 0 HA LYS A 61 2.086 5.882 -14.026 1.00 10.00 H new ATOM 0 HB2 LYS A 61 4.018 6.119 -15.324 1.00 10.00 H new ATOM 0 HB3 LYS A 61 4.286 7.053 -13.866 1.00 10.00 H new ATOM 0 HG2 LYS A 61 5.441 4.892 -12.934 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.464 4.348 -14.600 1.00 10.00 H new ATOM 0 HD2 LYS A 61 6.414 7.128 -14.330 1.00 10.00 H new ATOM 0 HD3 LYS A 61 7.365 6.013 -13.370 1.00 10.00 H new ATOM 0 HE2 LYS A 61 7.904 4.653 -15.304 1.00 10.00 H new ATOM 0 HE3 LYS A 61 6.702 5.458 -16.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 8.915 6.279 -16.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 7.962 7.518 -16.100 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 9.127 6.739 -15.142 1.00 10.00 H new ATOM 903 N CYS A 62 1.911 3.242 -13.206 1.00 10.00 N ATOM 904 CA CYS A 62 1.672 1.823 -13.408 1.00 10.00 C ATOM 905 C CYS A 62 2.937 1.061 -13.009 1.00 10.00 C ATOM 906 O CYS A 62 2.981 0.435 -11.951 1.00 10.00 O ATOM 907 CB CYS A 62 1.254 1.519 -14.848 1.00 10.00 C ATOM 908 SG CYS A 62 0.504 -0.131 -15.098 1.00 10.00 S ATOM 0 H CYS A 62 1.336 3.673 -12.482 1.00 10.00 H new ATOM 0 HA CYS A 62 0.841 1.499 -12.781 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.543 2.279 -15.173 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.130 1.606 -15.491 1.00 10.00 H new ATOM 0 HG CYS A 62 0.187 -0.279 -16.350 1.00 10.00 H new ATOM 913 N GLY A 63 3.935 1.138 -13.878 1.00 10.00 N ATOM 914 CA GLY A 63 5.198 0.464 -13.629 1.00 10.00 C ATOM 915 C GLY A 63 5.864 0.998 -12.360 1.00 10.00 C ATOM 916 O GLY A 63 6.790 1.806 -12.433 1.00 10.00 O ATOM 0 H GLY A 63 3.894 1.657 -14.755 1.00 10.00 H new ATOM 0 HA2 GLY A 63 5.029 -0.608 -13.531 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.864 0.605 -14.480 1.00 10.00 H new ATOM 920 N GLY A 64 5.368 0.526 -11.226 1.00 10.00 N ATOM 921 CA GLY A 64 5.904 0.947 -9.942 1.00 10.00 C ATOM 922 C GLY A 64 5.707 -0.140 -8.883 1.00 10.00 C ATOM 923 O GLY A 64 6.675 -0.734 -8.410 1.00 10.00 O ATOM 0 H GLY A 64 4.601 -0.144 -11.169 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.965 1.173 -10.043 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.412 1.865 -9.622 1.00 10.00 H new ATOM 927 N CYS A 65 4.446 -0.367 -8.541 1.00 10.00 N ATOM 928 CA CYS A 65 4.110 -1.372 -7.547 1.00 10.00 C ATOM 929 C CYS A 65 4.331 -2.753 -8.167 1.00 10.00 C ATOM 930 O CYS A 65 5.075 -3.570 -7.624 1.00 10.00 O ATOM 931 CB CYS A 65 2.680 -1.200 -7.031 1.00 10.00 C ATOM 932 SG CYS A 65 2.402 0.305 -6.029 1.00 10.00 S ATOM 0 H CYS A 65 3.646 0.128 -8.935 1.00 10.00 H new ATOM 0 HA CYS A 65 4.757 -1.258 -6.677 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.001 -1.183 -7.883 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.417 -2.072 -6.432 1.00 10.00 H new ATOM 937 N HIS A 66 3.672 -2.973 -9.294 1.00 10.00 N ATOM 938 CA HIS A 66 3.787 -4.242 -9.994 1.00 10.00 C ATOM 939 C HIS A 66 5.148 -4.324 -10.688 1.00 10.00 C ATOM 940 O HIS A 66 5.287 -3.916 -11.841 1.00 10.00 O ATOM 941 CB HIS A 66 2.616 -4.439 -10.958 1.00 10.00 C ATOM 942 CG HIS A 66 1.350 -4.926 -10.296 1.00 10.00 C ATOM 943 ND1 HIS A 66 0.810 -6.176 -10.541 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.525 -4.319 -9.395 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.292 -6.305 -9.815 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.467 -5.152 -9.107 1.00 10.00 N ATOM 0 H HIS A 66 3.056 -2.294 -9.741 1.00 10.00 H new ATOM 0 HA HIS A 66 3.734 -5.062 -9.278 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.410 -3.494 -11.461 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.909 -5.153 -11.728 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.194 -6.879 -11.173 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.657 -3.328 -8.985 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.937 -7.170 -9.789 1.00 10.00 H new ATOM 954 N ILE A 67 6.118 -4.852 -9.958 1.00 10.00 N ATOM 955 CA ILE A 67 7.464 -4.992 -10.489 1.00 10.00 C ATOM 956 C ILE A 67 7.389 -5.532 -11.918 1.00 10.00 C ATOM 957 O ILE A 67 7.069 -6.702 -12.127 1.00 10.00 O ATOM 958 CB ILE A 67 8.324 -5.843 -9.553 1.00 10.00 C ATOM 959 CG1 ILE A 67 9.810 -5.536 -9.743 1.00 10.00 C ATOM 960 CG2 ILE A 67 8.019 -7.333 -9.732 1.00 10.00 C ATOM 961 CD1 ILE A 67 10.651 -6.196 -8.648 1.00 10.00 C ATOM 0 H ILE A 67 6.000 -5.189 -9.002 1.00 10.00 H new ATOM 0 HA ILE A 67 7.957 -4.021 -10.540 1.00 10.00 H new ATOM 0 HB ILE A 67 8.071 -5.583 -8.525 1.00 10.00 H new ATOM 0 HG12 ILE A 67 10.136 -5.891 -10.721 1.00 10.00 H new ATOM 0 HG13 ILE A 67 9.967 -4.458 -9.727 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.644 -7.916 -9.055 1.00 10.00 H new ATOM 0 HG22 ILE A 67 6.969 -7.519 -9.507 1.00 10.00 H new ATOM 0 HG23 ILE A 67 8.227 -7.626 -10.761 1.00 10.00 H new ATOM 0 HD11 ILE A 67 11.704 -5.962 -8.807 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.339 -5.821 -7.673 1.00 10.00 H new ATOM 0 HD13 ILE A 67 10.510 -7.276 -8.683 1.00 10.00 H new ATOM 973 N LYS A 68 7.691 -4.657 -12.865 1.00 10.00 N ATOM 974 CA LYS A 68 7.662 -5.032 -14.269 1.00 10.00 C ATOM 975 C LYS A 68 9.074 -4.932 -14.848 1.00 10.00 C ATOM 976 O LYS A 68 10.053 -5.224 -14.162 1.00 10.00 O ATOM 977 CB LYS A 68 6.626 -4.197 -15.025 1.00 10.00 C ATOM 978 CG LYS A 68 5.842 -5.062 -16.014 1.00 10.00 C ATOM 979 CD LYS A 68 5.687 -4.352 -17.361 1.00 10.00 C ATOM 980 CE LYS A 68 5.943 -5.315 -18.521 1.00 10.00 C ATOM 981 NZ LYS A 68 4.879 -5.192 -19.542 1.00 10.00 N ATOM 0 H LYS A 68 7.957 -3.688 -12.688 1.00 10.00 H new ATOM 0 HA LYS A 68 7.344 -6.069 -14.380 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.939 -3.735 -14.316 1.00 10.00 H new ATOM 0 HB3 LYS A 68 7.125 -3.388 -15.559 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.355 -6.013 -16.157 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.858 -5.289 -15.603 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.683 -3.936 -17.444 1.00 10.00 H new ATOM 0 HD3 LYS A 68 6.384 -3.516 -17.418 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.913 -5.102 -18.971 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.982 -6.339 -18.149 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.069 -5.853 -20.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.959 -5.417 -19.113 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.861 -4.219 -19.909 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.734 1.972 -12.716 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.425 -2.752 9.112 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.207 -5.571 8.461 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.830 -3.315 12.436 1.00 10.00 C HETATM 1000 CHC HEC A 98 0.754 -0.282 9.719 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.571 -1.896 5.910 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.333 -4.145 10.167 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.026 -5.232 9.794 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.272 -6.162 10.924 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.900 -5.488 12.013 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.298 -4.285 11.643 1.00 10.00 C HETATM 1007 CMA HEC A 98 -2.983 -6.025 13.493 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.026 -7.448 10.741 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.103 -8.482 10.019 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.347 -9.485 10.876 1.00 10.00 C HETATM 1011 O1A HEC A 98 -3.013 -9.943 11.811 1.00 10.00 O HETATM 1012 O2A HEC A 98 -1.166 -9.792 10.602 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.671 -1.929 10.775 1.00 10.00 N HETATM 1014 C1B HEC A 98 -1.137 -2.171 12.062 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.376 -1.275 12.927 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.414 -0.450 12.196 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.148 -0.866 10.846 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.631 -1.228 14.479 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.311 0.694 12.592 1.00 10.00 C HETATM 1020 CBB HEC A 98 2.734 0.270 12.989 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.582 -1.355 7.974 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.312 -0.392 8.331 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.694 0.541 7.345 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.071 0.057 6.251 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.786 -1.058 6.647 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.635 1.702 7.446 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.127 0.672 4.831 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.677 -0.094 3.755 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.243 -3.566 7.474 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.201 -3.053 6.182 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.866 -3.908 5.314 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.301 -4.964 6.021 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.836 -4.786 7.394 1.00 10.00 C HETATM 1034 CMD HEC A 98 -3.005 -3.722 3.735 1.00 10.00 C HETATM 1035 CAD HEC A 98 -3.973 -6.227 5.426 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.059 -6.996 4.502 1.00 10.00 C HETATM 1037 CGD HEC A 98 -1.630 -7.241 4.948 1.00 10.00 C HETATM 1038 O1D HEC A 98 -1.103 -6.366 5.688 1.00 10.00 O HETATM 1039 O2D HEC A 98 -1.070 -8.212 4.390 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.516 -2.783 3.523 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -2.014 -3.706 3.282 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.580 -4.550 3.320 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.273 2.399 8.202 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.625 1.344 7.727 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.692 2.209 6.483 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.665 -0.942 14.669 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.442 -2.212 14.909 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.037 -0.498 14.936 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.019 -6.259 13.738 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.375 -6.925 13.588 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.612 -5.263 14.178 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.519 -7.965 4.310 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -3.025 -6.465 3.550 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 1.739 -0.056 3.999 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 0.348 -1.133 3.726 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.511 0.366 2.781 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.687 -0.409 13.840 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.211 -0.234 12.149 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.314 1.152 13.260 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -3.717 -9.042 9.313 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.372 -7.925 9.433 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.293 -6.879 6.238 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.870 -5.933 4.881 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.344 -7.838 11.708 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -4.928 -7.275 10.154 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.719 -1.556 4.885 1.00 10.00 H new HETATM 0 HHC HEC A 98 1.647 0.316 9.900 1.00 10.00 H new HETATM 0 HHB HEC A 98 -2.015 -3.437 13.503 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.678 -6.530 8.243 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.756 1.537 4.623 1.00 10.00 H new HETATM 0 H2D HEC A 98 -0.802 -8.868 5.067 1.00 10.00 H new HETATM 0 H2A HEC A 98 -0.765 -10.260 11.364 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.839 2.523 -0.344 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.137 3.150 -0.864 1.00 10.00 C HETATM 1074 CHB HEC A 128 4.028 -0.060 -2.542 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.750 1.612 0.574 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.531 5.389 1.298 1.00 10.00 C HETATM 1077 NA HEC A 128 5.285 1.757 -1.443 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.576 2.099 -1.574 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.367 1.062 -2.277 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.465 0.200 -2.751 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.198 0.529 -2.268 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.786 -1.086 -3.604 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.837 1.225 -2.536 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.616 0.090 -1.796 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.962 -0.339 -2.363 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.411 -1.370 -1.851 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.508 0.323 -3.272 1.00 10.00 O HETATM 1088 NB HEC A 128 2.596 1.048 -0.886 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.790 0.207 -1.975 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.586 -0.618 -2.050 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.666 -0.216 -1.139 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.331 0.870 -0.471 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.407 -1.695 -3.181 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.745 -0.669 -0.869 1.00 10.00 C HETATM 1095 CBB HEC A 128 -0.893 -1.570 0.367 1.00 10.00 C HETATM 1096 NC HEC A 128 2.422 3.387 0.750 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.186 2.915 1.072 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.328 3.767 1.796 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.132 4.822 2.044 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.394 4.635 1.329 1.00 10.00 C HETATM 1101 CMC HEC A 128 -1.072 3.529 2.272 1.00 10.00 C HETATM 1102 CAC HEC A 128 0.816 6.235 2.626 1.00 10.00 C HETATM 1103 CBC HEC A 128 -0.094 6.152 3.871 1.00 10.00 C HETATM 1104 ND HEC A 128 5.090 4.013 0.131 1.00 10.00 N HETATM 1105 C1D HEC A 128 4.776 5.165 0.843 1.00 10.00 C HETATM 1106 C2D HEC A 128 5.911 5.953 0.986 1.00 10.00 C HETATM 1107 C3D HEC A 128 6.939 5.313 0.408 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.433 4.030 -0.075 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.001 7.333 1.785 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.420 5.767 0.455 1.00 10.00 C HETATM 1111 CBD HEC A 128 8.884 6.386 -0.843 1.00 10.00 C HETATM 1112 CGD HEC A 128 9.726 7.646 -0.776 1.00 10.00 C HETATM 1113 O1D HEC A 128 9.494 8.438 0.178 1.00 10.00 O HETATM 1114 O2D HEC A 128 10.447 7.844 -1.778 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.309 8.053 1.347 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 5.738 7.166 2.830 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.017 7.723 1.724 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.718 3.332 1.417 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.087 2.671 2.944 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.431 4.411 2.803 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.439 -1.208 -4.156 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 2.211 -2.429 -3.115 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.447 -2.196 -3.057 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.296 -0.795 -4.522 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.427 -1.754 -3.028 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.857 -1.599 -3.852 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 9.455 5.633 -1.386 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 8.000 6.608 -1.441 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -1.036 5.675 3.602 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.401 5.566 4.645 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.290 7.157 4.246 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.289 -2.468 0.237 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.556 -1.031 1.253 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -1.939 -1.851 0.489 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.774 0.410 -0.766 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 8.973 -0.789 -1.761 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 8.549 6.488 1.262 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.051 4.910 0.689 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.037 1.182 -3.607 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.174 2.201 -2.188 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.403 6.380 1.733 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.117 1.168 1.064 1.00 10.00 H new HETATM 0 HHB HEC A 128 4.050 -0.842 -3.301 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.216 3.289 -0.937 1.00 10.00 H new HETATM 0 HAB HEC A 128 -1.589 -0.382 -1.497 1.00 10.00 H new HETATM 0 H2D HEC A 128 9.920 7.704 -2.593 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.446 0.051 -3.357 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.158 -3.744 -9.085 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.626 -6.383 -7.528 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.753 -5.235 -12.078 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.186 -0.919 -10.601 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.045 -2.615 -6.171 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.999 -5.439 -9.632 1.00 10.00 N HETATM 1153 C1A HEC A 158 -3.551 -6.429 -8.912 1.00 10.00 C HETATM 1154 C2A HEC A 158 -4.333 -7.369 -9.750 1.00 10.00 C HETATM 1155 C3A HEC A 158 -4.044 -7.034 -11.008 1.00 10.00 C HETATM 1156 C4A HEC A 158 -3.277 -5.868 -11.022 1.00 10.00 C HETATM 1157 CMA HEC A 158 -4.604 -7.748 -12.297 1.00 10.00 C HETATM 1158 CAA HEC A 158 -5.044 -8.554 -9.160 1.00 10.00 C HETATM 1159 CBA HEC A 158 -4.185 -9.837 -9.401 1.00 10.00 C HETATM 1160 CGA HEC A 158 -4.893 -11.085 -9.907 1.00 10.00 C HETATM 1161 O1A HEC A 158 -5.769 -11.504 -9.143 1.00 10.00 O HETATM 1162 O2A HEC A 158 -4.585 -11.587 -11.010 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.986 -3.169 -10.996 1.00 10.00 N HETATM 1164 C1B HEC A 158 -2.082 -4.019 -12.092 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.774 -3.192 -13.255 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.393 -1.948 -12.878 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.490 -2.004 -11.445 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.754 -3.801 -14.705 1.00 10.00 C HETATM 1169 CAB HEC A 158 -0.898 -0.764 -13.669 1.00 10.00 C HETATM 1170 CBB HEC A 158 -1.744 0.508 -13.496 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.272 -2.081 -8.450 1.00 10.00 N HETATM 1172 C1C HEC A 158 -0.927 -0.973 -9.164 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.223 0.046 -8.490 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.224 -0.413 -7.221 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.790 -1.760 -7.203 1.00 10.00 C HETATM 1176 CMC HEC A 158 0.292 1.352 -9.011 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.539 0.085 -5.954 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.264 1.158 -5.184 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.293 -4.374 -7.188 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.750 -3.756 -6.068 1.00 10.00 C HETATM 1181 C2D HEC A 158 -2.069 -4.484 -4.928 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.826 -5.529 -5.300 1.00 10.00 C HETATM 1183 C4D HEC A 158 -3.035 -5.420 -6.741 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.691 -4.092 -3.428 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.518 -6.523 -4.333 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.537 -7.430 -3.626 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.074 -8.678 -2.950 1.00 10.00 C HETATM 1188 O1D HEC A 158 -2.829 -9.782 -3.507 1.00 10.00 O HETATM 1189 O2D HEC A 158 -3.853 -8.457 -1.995 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.607 -4.029 -3.330 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.134 -3.127 -3.181 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -2.073 -4.852 -2.746 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 1.001 1.168 -9.818 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.540 1.947 -9.387 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.791 1.893 -8.207 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -1.008 -4.594 -14.756 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.736 -4.211 -14.941 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.504 -3.021 -15.424 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -4.309 -8.797 -12.289 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -5.692 -7.677 -12.309 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -4.199 -7.264 -13.186 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.788 -7.742 -4.354 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -2.021 -6.838 -2.870 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 -0.443 2.015 -5.834 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.218 0.739 -4.865 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.302 1.478 -4.309 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -2.766 0.312 -13.820 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -1.747 0.803 -12.447 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.320 1.312 -14.098 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -3.401 -9.585 -10.115 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -3.692 -10.090 -8.462 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -4.089 -5.964 -3.591 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.230 -7.130 -4.892 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -5.204 -8.403 -8.092 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -6.027 -8.668 -9.617 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.580 -2.310 -5.234 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.139 0.064 -11.069 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.866 -5.733 -13.041 1.00 10.00 H new HETATM 0 HHA HEC A 158 -4.194 -7.166 -7.027 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.016 -0.806 -14.308 1.00 10.00 H new HETATM 0 H2D HEC A 158 -3.338 -8.373 -1.166 1.00 10.00 H new HETATM 0 H2A HEC A 158 -4.963 -12.489 -11.076 1.00 10.00 H new