USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 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 : amide:sc= -0.0329 K(o=-1.2,f=-3!) USER MOD Set 1.2: A 128 HEC O2D : rot -91:sc= -1.22 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -133:sc= 0.156 (180deg=0) USER MOD Single : A 6 TYR OH : rot 82:sc= -1.03 USER MOD Single : A 8 ASN : amide:sc= -2.45 K(o=-2.5,f=-9.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00764) USER MOD Single : A 12 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -12.6! C(o=-13!,f=-23!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 32:sc= -35.7! USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 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 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 123:sc= -19.7! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 163:sc= 1.15 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.0166 (180deg=-0.0166) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -4.28! C(o=-5.6!,f=-4.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.96! USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0734) USER MOD Single : A 62 CYS SG : rot 91:sc= -20.6! 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 170:sc= -1.14 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= -0.0097 USER MOD Single : A 158 HEC O2D : rot 170:sc=-0.00468 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.076 -9.411 10.227 1.00 10.00 N ATOM 2 CA ALA A 1 6.438 -9.066 9.860 1.00 10.00 C ATOM 3 C ALA A 1 6.523 -7.562 9.591 1.00 10.00 C ATOM 4 O ALA A 1 5.523 -6.853 9.683 1.00 10.00 O ATOM 5 CB ALA A 1 6.869 -9.900 8.652 1.00 10.00 C ATOM 0 H1 ALA A 1 5.087 -10.019 11.070 1.00 10.00 H new ATOM 0 H2 ALA A 1 4.542 -8.543 10.433 1.00 10.00 H new ATOM 0 H3 ALA A 1 4.622 -9.918 9.440 1.00 10.00 H new ATOM 0 HA ALA A 1 7.125 -9.295 10.675 1.00 10.00 H new ATOM 0 HB1 ALA A 1 7.891 -9.641 8.377 1.00 10.00 H new ATOM 0 HB2 ALA A 1 6.819 -10.959 8.905 1.00 10.00 H new ATOM 0 HB3 ALA A 1 6.204 -9.695 7.813 1.00 10.00 H new ATOM 11 N ASP A 2 7.728 -7.119 9.262 1.00 10.00 N ATOM 12 CA ASP A 2 7.956 -5.712 8.977 1.00 10.00 C ATOM 13 C ASP A 2 7.492 -5.402 7.553 1.00 10.00 C ATOM 14 O ASP A 2 6.890 -4.359 7.306 1.00 10.00 O ATOM 15 CB ASP A 2 9.444 -5.365 9.075 1.00 10.00 C ATOM 16 CG ASP A 2 9.998 -5.293 10.499 1.00 10.00 C ATOM 17 OD1 ASP A 2 9.365 -4.596 11.321 1.00 10.00 O ATOM 18 OD2 ASP A 2 11.043 -5.938 10.734 1.00 10.00 O ATOM 0 H ASP A 2 8.556 -7.709 9.186 1.00 10.00 H new ATOM 0 HA ASP A 2 7.399 -5.126 9.708 1.00 10.00 H new ATOM 0 HB2 ASP A 2 10.013 -6.109 8.517 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.611 -4.405 8.587 1.00 10.00 H new ATOM 23 N VAL A 3 7.789 -6.328 6.653 1.00 10.00 N ATOM 24 CA VAL A 3 7.408 -6.166 5.260 1.00 10.00 C ATOM 25 C VAL A 3 6.692 -7.430 4.781 1.00 10.00 C ATOM 26 O VAL A 3 7.111 -8.543 5.096 1.00 10.00 O ATOM 27 CB VAL A 3 8.639 -5.822 4.418 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.305 -5.840 2.925 1.00 10.00 C ATOM 29 CG2 VAL A 3 9.225 -4.470 4.832 1.00 10.00 C ATOM 0 H VAL A 3 8.289 -7.192 6.861 1.00 10.00 H new ATOM 0 HA VAL A 3 6.711 -5.335 5.149 1.00 10.00 H new ATOM 0 HB VAL A 3 9.395 -6.586 4.601 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.197 -5.592 2.350 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.955 -6.833 2.642 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.525 -5.108 2.718 1.00 10.00 H new ATOM 0 HG21 VAL A 3 10.099 -4.249 4.219 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.476 -3.690 4.691 1.00 10.00 H new ATOM 0 HG23 VAL A 3 9.518 -4.506 5.881 1.00 10.00 H new ATOM 39 N VAL A 4 5.623 -7.216 4.027 1.00 10.00 N ATOM 40 CA VAL A 4 4.844 -8.325 3.502 1.00 10.00 C ATOM 41 C VAL A 4 4.829 -8.253 1.974 1.00 10.00 C ATOM 42 O VAL A 4 5.135 -7.211 1.395 1.00 10.00 O ATOM 43 CB VAL A 4 3.442 -8.317 4.115 1.00 10.00 C ATOM 44 CG1 VAL A 4 3.440 -8.986 5.490 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.889 -6.892 4.199 1.00 10.00 C ATOM 0 H VAL A 4 5.278 -6.292 3.767 1.00 10.00 H new ATOM 0 HA VAL A 4 5.299 -9.276 3.778 1.00 10.00 H new ATOM 0 HB VAL A 4 2.788 -8.894 3.461 1.00 10.00 H new ATOM 0 HG11 VAL A 4 2.431 -8.966 5.903 1.00 10.00 H new ATOM 0 HG12 VAL A 4 3.772 -10.020 5.392 1.00 10.00 H new ATOM 0 HG13 VAL A 4 4.115 -8.450 6.157 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.892 -6.914 4.638 1.00 10.00 H new ATOM 0 HG22 VAL A 4 3.546 -6.283 4.820 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.835 -6.463 3.198 1.00 10.00 H new ATOM 55 N THR A 5 4.471 -9.373 1.364 1.00 10.00 N ATOM 56 CA THR A 5 4.412 -9.450 -0.085 1.00 10.00 C ATOM 57 C THR A 5 3.419 -10.529 -0.523 1.00 10.00 C ATOM 58 O THR A 5 3.652 -11.717 -0.304 1.00 10.00 O ATOM 59 CB THR A 5 5.831 -9.685 -0.605 1.00 10.00 C ATOM 60 OG1 THR A 5 5.685 -9.706 -2.022 1.00 10.00 O ATOM 61 CG2 THR A 5 6.356 -11.082 -0.265 1.00 10.00 C ATOM 0 H THR A 5 4.219 -10.235 1.847 1.00 10.00 H new ATOM 0 HA THR A 5 4.043 -8.519 -0.514 1.00 10.00 H new ATOM 0 HB THR A 5 6.499 -8.933 -0.185 1.00 10.00 H new ATOM 0 HG1 THR A 5 6.560 -9.852 -2.439 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.367 -11.196 -0.657 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.370 -11.212 0.817 1.00 10.00 H new ATOM 0 HG23 THR A 5 5.706 -11.834 -0.713 1.00 10.00 H new ATOM 69 N TYR A 6 2.332 -10.077 -1.132 1.00 10.00 N ATOM 70 CA TYR A 6 1.303 -10.989 -1.601 1.00 10.00 C ATOM 71 C TYR A 6 1.514 -11.340 -3.075 1.00 10.00 C ATOM 72 O TYR A 6 1.937 -10.497 -3.864 1.00 10.00 O ATOM 73 CB TYR A 6 -0.023 -10.241 -1.451 1.00 10.00 C ATOM 74 CG TYR A 6 -0.388 -9.905 -0.003 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.144 -10.648 1.032 1.00 10.00 C ATOM 76 CD2 TYR A 6 -1.250 -8.862 0.267 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.199 -10.332 2.394 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.593 -8.547 1.629 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.051 -9.297 2.626 1.00 10.00 C ATOM 80 OH TYR A 6 -1.376 -8.999 3.912 1.00 10.00 O ATOM 0 H TYR A 6 2.142 -9.091 -1.311 1.00 10.00 H new ATOM 0 HA TYR A 6 1.325 -11.919 -1.032 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.026 -9.317 -2.026 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.820 -10.845 -1.885 1.00 10.00 H new ATOM 0 HD1 TYR A 6 0.817 -11.466 0.820 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.667 -8.282 -0.543 1.00 10.00 H new ATOM 0 HE1 TYR A 6 0.211 -10.904 3.213 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.266 -7.733 1.854 1.00 10.00 H new ATOM 0 HH TYR A 6 -0.670 -8.447 4.308 1.00 10.00 H new ATOM 90 N GLU A 7 1.207 -12.587 -3.403 1.00 10.00 N ATOM 91 CA GLU A 7 1.356 -13.060 -4.768 1.00 10.00 C ATOM 92 C GLU A 7 0.241 -12.495 -5.650 1.00 10.00 C ATOM 93 O GLU A 7 -0.939 -12.725 -5.388 1.00 10.00 O ATOM 94 CB GLU A 7 1.375 -14.589 -4.820 1.00 10.00 C ATOM 95 CG GLU A 7 2.530 -15.151 -3.988 1.00 10.00 C ATOM 96 CD GLU A 7 2.506 -16.681 -3.981 1.00 10.00 C ATOM 97 OE1 GLU A 7 3.024 -17.261 -4.959 1.00 10.00 O ATOM 98 OE2 GLU A 7 1.971 -17.235 -2.996 1.00 10.00 O ATOM 0 H GLU A 7 0.856 -13.284 -2.746 1.00 10.00 H new ATOM 0 HA GLU A 7 2.312 -12.705 -5.152 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.429 -14.981 -4.447 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.472 -14.920 -5.854 1.00 10.00 H new ATOM 0 HG2 GLU A 7 3.479 -14.800 -4.393 1.00 10.00 H new ATOM 0 HG3 GLU A 7 2.462 -14.778 -2.966 1.00 10.00 H new ATOM 105 N ASN A 8 0.653 -11.769 -6.679 1.00 10.00 N ATOM 106 CA ASN A 8 -0.296 -11.171 -7.601 1.00 10.00 C ATOM 107 C ASN A 8 -0.177 -11.855 -8.965 1.00 10.00 C ATOM 108 O ASN A 8 -1.019 -11.655 -9.839 1.00 10.00 O ATOM 109 CB ASN A 8 -0.012 -9.679 -7.794 1.00 10.00 C ATOM 110 CG ASN A 8 -0.783 -8.838 -6.775 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.963 -9.035 -6.534 1.00 10.00 O ATOM 112 ND2 ASN A 8 -0.054 -7.891 -6.193 1.00 10.00 N ATOM 0 H ASN A 8 1.632 -11.582 -6.894 1.00 10.00 H new ATOM 0 HA ASN A 8 -1.295 -11.297 -7.184 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.057 -9.492 -7.691 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.292 -9.380 -8.804 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.478 -7.276 -5.499 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.929 -7.780 -6.441 1.00 10.00 H new ATOM 119 N LYS A 9 0.876 -12.647 -9.104 1.00 10.00 N ATOM 120 CA LYS A 9 1.116 -13.363 -10.346 1.00 10.00 C ATOM 121 C LYS A 9 1.867 -12.450 -11.317 1.00 10.00 C ATOM 122 O LYS A 9 2.877 -12.848 -11.893 1.00 10.00 O ATOM 123 CB LYS A 9 -0.196 -13.913 -10.908 1.00 10.00 C ATOM 124 CG LYS A 9 0.059 -15.130 -11.801 1.00 10.00 C ATOM 125 CD LYS A 9 0.323 -16.380 -10.961 1.00 10.00 C ATOM 126 CE LYS A 9 0.587 -17.595 -11.853 1.00 10.00 C ATOM 127 NZ LYS A 9 -0.429 -18.644 -11.614 1.00 10.00 N ATOM 0 H LYS A 9 1.573 -12.809 -8.377 1.00 10.00 H new ATOM 0 HA LYS A 9 1.750 -14.232 -10.170 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -0.859 -14.191 -10.089 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -0.705 -13.137 -11.480 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -0.802 -15.298 -12.448 1.00 10.00 H new ATOM 0 HG3 LYS A 9 0.913 -14.937 -12.450 1.00 10.00 H new ATOM 0 HD2 LYS A 9 1.180 -16.210 -10.309 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -0.534 -16.577 -10.316 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.569 -17.295 -12.901 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.582 -17.992 -11.652 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.235 -19.461 -12.227 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -0.393 -18.942 -10.618 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.374 -18.267 -11.828 1.00 10.00 H new ATOM 141 N LYS A 10 1.343 -11.242 -11.469 1.00 10.00 N ATOM 142 CA LYS A 10 1.951 -10.269 -12.361 1.00 10.00 C ATOM 143 C LYS A 10 2.409 -9.056 -11.550 1.00 10.00 C ATOM 144 O LYS A 10 1.861 -7.964 -11.696 1.00 10.00 O ATOM 145 CB LYS A 10 0.996 -9.920 -13.504 1.00 10.00 C ATOM 146 CG LYS A 10 0.635 -11.164 -14.317 1.00 10.00 C ATOM 147 CD LYS A 10 -0.786 -11.635 -13.999 1.00 10.00 C ATOM 148 CE LYS A 10 -1.812 -10.906 -14.868 1.00 10.00 C ATOM 149 NZ LYS A 10 -3.188 -11.260 -14.454 1.00 10.00 N ATOM 0 H LYS A 10 0.504 -10.915 -10.989 1.00 10.00 H new ATOM 0 HA LYS A 10 2.838 -10.689 -12.835 1.00 10.00 H new ATOM 0 HB2 LYS A 10 0.089 -9.470 -13.100 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.458 -9.178 -14.155 1.00 10.00 H new ATOM 0 HG2 LYS A 10 0.719 -10.944 -15.381 1.00 10.00 H new ATOM 0 HG3 LYS A 10 1.344 -11.963 -14.100 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -0.862 -12.710 -14.164 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.005 -11.458 -12.946 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -1.667 -9.829 -14.786 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -1.662 -11.169 -15.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -3.871 -10.718 -15.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -3.345 -12.277 -14.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -3.317 -11.034 -13.447 1.00 10.00 H new ATOM 163 N GLY A 11 3.409 -9.288 -10.712 1.00 10.00 N ATOM 164 CA GLY A 11 3.947 -8.226 -9.878 1.00 10.00 C ATOM 165 C GLY A 11 3.394 -8.316 -8.454 1.00 10.00 C ATOM 166 O GLY A 11 2.327 -7.777 -8.164 1.00 10.00 O ATOM 0 H GLY A 11 3.860 -10.195 -10.593 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.035 -8.292 -9.855 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.696 -7.257 -10.309 1.00 10.00 H new ATOM 170 N ASN A 12 4.145 -8.999 -7.603 1.00 10.00 N ATOM 171 CA ASN A 12 3.743 -9.166 -6.217 1.00 10.00 C ATOM 172 C ASN A 12 3.847 -7.820 -5.495 1.00 10.00 C ATOM 173 O ASN A 12 4.850 -7.121 -5.621 1.00 10.00 O ATOM 174 CB ASN A 12 4.654 -10.161 -5.494 1.00 10.00 C ATOM 175 CG ASN A 12 4.545 -11.555 -6.116 1.00 10.00 C ATOM 176 OD1 ASN A 12 4.307 -11.717 -7.302 1.00 10.00 O ATOM 177 ND2 ASN A 12 4.733 -12.548 -5.252 1.00 10.00 N ATOM 0 H ASN A 12 5.030 -9.443 -7.847 1.00 10.00 H new ATOM 0 HA ASN A 12 2.719 -9.541 -6.206 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.687 -9.816 -5.543 1.00 10.00 H new ATOM 0 HB3 ASN A 12 4.384 -10.207 -4.439 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.682 -13.516 -5.569 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.929 -12.342 -4.272 1.00 10.00 H new ATOM 184 N VAL A 13 2.796 -7.500 -4.755 1.00 10.00 N ATOM 185 CA VAL A 13 2.757 -6.250 -4.013 1.00 10.00 C ATOM 186 C VAL A 13 3.683 -6.353 -2.800 1.00 10.00 C ATOM 187 O VAL A 13 3.286 -6.862 -1.753 1.00 10.00 O ATOM 188 CB VAL A 13 1.313 -5.912 -3.636 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.804 -6.837 -2.529 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.183 -4.444 -3.227 1.00 10.00 C ATOM 0 H VAL A 13 1.966 -8.083 -4.653 1.00 10.00 H new ATOM 0 HA VAL A 13 3.120 -5.428 -4.629 1.00 10.00 H new ATOM 0 HB VAL A 13 0.691 -6.071 -4.517 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.224 -6.575 -2.280 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.842 -7.871 -2.872 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.431 -6.725 -1.644 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.147 -4.230 -2.964 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.824 -4.248 -2.367 1.00 10.00 H new ATOM 0 HG23 VAL A 13 1.485 -3.807 -4.058 1.00 10.00 H new ATOM 200 N THR A 14 4.899 -5.862 -2.982 1.00 10.00 N ATOM 201 CA THR A 14 5.886 -5.891 -1.915 1.00 10.00 C ATOM 202 C THR A 14 5.539 -4.861 -0.840 1.00 10.00 C ATOM 203 O THR A 14 6.322 -3.951 -0.571 1.00 10.00 O ATOM 204 CB THR A 14 7.265 -5.677 -2.541 1.00 10.00 C ATOM 205 OG1 THR A 14 7.561 -6.922 -3.167 1.00 10.00 O ATOM 206 CG2 THR A 14 8.366 -5.518 -1.490 1.00 10.00 C ATOM 0 H THR A 14 5.224 -5.441 -3.852 1.00 10.00 H new ATOM 0 HA THR A 14 5.891 -6.855 -1.406 1.00 10.00 H new ATOM 0 HB THR A 14 7.240 -4.793 -3.179 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.439 -6.870 -3.600 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.325 -5.369 -1.987 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.146 -4.656 -0.860 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.413 -6.416 -0.873 1.00 10.00 H new ATOM 214 N PHE A 15 4.365 -5.038 -0.252 1.00 10.00 N ATOM 215 CA PHE A 15 3.904 -4.135 0.789 1.00 10.00 C ATOM 216 C PHE A 15 5.003 -3.888 1.826 1.00 10.00 C ATOM 217 O PHE A 15 6.056 -4.521 1.781 1.00 10.00 O ATOM 218 CB PHE A 15 2.716 -4.811 1.474 1.00 10.00 C ATOM 219 CG PHE A 15 1.390 -4.643 0.729 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.089 -3.456 0.136 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.512 -5.679 0.660 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.142 -3.300 -0.555 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.718 -5.523 -0.032 1.00 10.00 C ATOM 224 CZ PHE A 15 -1.020 -4.337 -0.625 1.00 10.00 C ATOM 0 H PHE A 15 3.719 -5.794 -0.477 1.00 10.00 H new ATOM 0 HA PHE A 15 3.629 -3.174 0.354 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.929 -5.875 1.581 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.610 -4.404 2.480 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.786 -2.633 0.191 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.750 -6.621 1.132 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.381 -2.358 -1.025 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.414 -6.347 -0.087 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.956 -4.218 -1.151 1.00 10.00 H new ATOM 234 N ASP A 16 4.719 -2.966 2.734 1.00 10.00 N ATOM 235 CA ASP A 16 5.669 -2.628 3.779 1.00 10.00 C ATOM 236 C ASP A 16 4.906 -2.219 5.042 1.00 10.00 C ATOM 237 O ASP A 16 4.034 -1.354 4.992 1.00 10.00 O ATOM 238 CB ASP A 16 6.554 -1.452 3.360 1.00 10.00 C ATOM 239 CG ASP A 16 7.646 -1.795 2.345 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.596 -2.497 2.750 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.505 -1.346 1.187 1.00 10.00 O ATOM 0 H ASP A 16 3.844 -2.443 2.767 1.00 10.00 H new ATOM 0 HA ASP A 16 6.294 -3.502 3.963 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.920 -0.671 2.939 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.024 -1.035 4.251 1.00 10.00 H new ATOM 246 N HIS A 17 5.265 -2.861 6.145 1.00 10.00 N ATOM 247 CA HIS A 17 4.626 -2.575 7.417 1.00 10.00 C ATOM 248 C HIS A 17 5.551 -1.707 8.273 1.00 10.00 C ATOM 249 O HIS A 17 5.121 -0.700 8.833 1.00 10.00 O ATOM 250 CB HIS A 17 4.212 -3.870 8.120 1.00 10.00 C ATOM 251 CG HIS A 17 2.814 -3.838 8.690 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.510 -4.312 9.955 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.644 -3.386 8.157 1.00 10.00 C ATOM 254 CE1 HIS A 17 1.211 -4.147 10.162 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.677 -3.573 9.047 1.00 10.00 N ATOM 0 H HIS A 17 5.990 -3.578 6.183 1.00 10.00 H new ATOM 0 HA HIS A 17 3.709 -2.011 7.248 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.286 -4.696 7.412 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.917 -4.076 8.925 1.00 10.00 H new ATOM 0 HD1 HIS A 17 3.173 -4.719 10.615 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.524 -2.950 7.176 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.671 -4.419 11.057 1.00 10.00 H new ATOM 263 N LYS A 18 6.805 -2.128 8.346 1.00 10.00 N ATOM 264 CA LYS A 18 7.795 -1.403 9.123 1.00 10.00 C ATOM 265 C LYS A 18 8.476 -0.363 8.230 1.00 10.00 C ATOM 266 O LYS A 18 8.728 0.761 8.660 1.00 10.00 O ATOM 267 CB LYS A 18 8.770 -2.373 9.791 1.00 10.00 C ATOM 268 CG LYS A 18 9.133 -1.904 11.202 1.00 10.00 C ATOM 269 CD LYS A 18 7.959 -2.100 12.163 1.00 10.00 C ATOM 270 CE LYS A 18 8.032 -1.110 13.328 1.00 10.00 C ATOM 271 NZ LYS A 18 8.507 -1.789 14.555 1.00 10.00 N ATOM 0 H LYS A 18 7.158 -2.963 7.879 1.00 10.00 H new ATOM 0 HA LYS A 18 7.316 -0.860 9.938 1.00 10.00 H new ATOM 0 HB2 LYS A 18 8.325 -3.367 9.838 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.674 -2.457 9.188 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.999 -2.459 11.562 1.00 10.00 H new ATOM 0 HG3 LYS A 18 9.416 -0.852 11.178 1.00 10.00 H new ATOM 0 HD2 LYS A 18 7.019 -1.967 11.627 1.00 10.00 H new ATOM 0 HD3 LYS A 18 7.965 -3.120 12.547 1.00 10.00 H new ATOM 0 HE2 LYS A 18 8.705 -0.290 13.075 1.00 10.00 H new ATOM 0 HE3 LYS A 18 7.049 -0.673 13.504 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 8.551 -1.104 15.336 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 7.850 -2.556 14.804 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 9.454 -2.185 14.388 1.00 10.00 H new ATOM 285 N ALA A 19 8.757 -0.777 7.003 1.00 10.00 N ATOM 286 CA ALA A 19 9.404 0.104 6.045 1.00 10.00 C ATOM 287 C ALA A 19 8.515 1.324 5.799 1.00 10.00 C ATOM 288 O ALA A 19 9.014 2.417 5.535 1.00 10.00 O ATOM 289 CB ALA A 19 9.700 -0.670 4.760 1.00 10.00 C ATOM 0 H ALA A 19 8.548 -1.711 6.650 1.00 10.00 H new ATOM 0 HA ALA A 19 10.356 0.464 6.436 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.185 -0.010 4.041 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.359 -1.509 4.984 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.767 -1.044 4.337 1.00 10.00 H new ATOM 295 N HIS A 20 7.212 1.097 5.895 1.00 10.00 N ATOM 296 CA HIS A 20 6.250 2.165 5.686 1.00 10.00 C ATOM 297 C HIS A 20 6.066 2.952 6.986 1.00 10.00 C ATOM 298 O HIS A 20 6.400 4.134 7.052 1.00 10.00 O ATOM 299 CB HIS A 20 4.934 1.610 5.138 1.00 10.00 C ATOM 300 CG HIS A 20 4.884 1.523 3.632 1.00 10.00 C ATOM 301 ND1 HIS A 20 4.059 0.639 2.958 1.00 10.00 N ATOM 302 CD2 HIS A 20 5.563 2.219 2.675 1.00 10.00 C ATOM 303 CE1 HIS A 20 4.243 0.803 1.657 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.177 1.782 1.484 1.00 10.00 N ATOM 0 H HIS A 20 6.801 0.190 6.115 1.00 10.00 H new ATOM 0 HA HIS A 20 6.627 2.857 4.933 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.769 0.616 5.555 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.114 2.240 5.483 1.00 10.00 H new ATOM 0 HD1 HIS A 20 3.418 -0.026 3.390 1.00 10.00 H new ATOM 0 HD2 HIS A 20 6.292 2.995 2.857 1.00 10.00 H new ATOM 0 HE1 HIS A 20 3.742 0.258 0.871 1.00 10.00 H new ATOM 312 N ALA A 21 5.536 2.264 7.986 1.00 10.00 N ATOM 313 CA ALA A 21 5.304 2.884 9.280 1.00 10.00 C ATOM 314 C ALA A 21 6.475 3.810 9.614 1.00 10.00 C ATOM 315 O ALA A 21 6.276 4.989 9.904 1.00 10.00 O ATOM 316 CB ALA A 21 5.100 1.798 10.338 1.00 10.00 C ATOM 0 H ALA A 21 5.261 1.284 7.927 1.00 10.00 H new ATOM 0 HA ALA A 21 4.399 3.491 9.258 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.926 2.263 11.308 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.239 1.186 10.070 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.989 1.170 10.391 1.00 10.00 H new ATOM 322 N GLU A 22 7.671 3.242 9.563 1.00 10.00 N ATOM 323 CA GLU A 22 8.874 4.002 9.857 1.00 10.00 C ATOM 324 C GLU A 22 8.746 5.428 9.317 1.00 10.00 C ATOM 325 O GLU A 22 9.301 6.364 9.891 1.00 10.00 O ATOM 326 CB GLU A 22 10.113 3.309 9.286 1.00 10.00 C ATOM 327 CG GLU A 22 10.032 3.209 7.761 1.00 10.00 C ATOM 328 CD GLU A 22 11.208 3.932 7.102 1.00 10.00 C ATOM 329 OE1 GLU A 22 11.647 4.948 7.681 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.642 3.452 6.032 1.00 10.00 O ATOM 0 H GLU A 22 7.833 2.264 9.322 1.00 10.00 H new ATOM 0 HA GLU A 22 8.993 4.053 10.939 1.00 10.00 H new ATOM 0 HB2 GLU A 22 11.007 3.863 9.571 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.206 2.311 9.715 1.00 10.00 H new ATOM 0 HG2 GLU A 22 10.030 2.161 7.461 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.094 3.641 7.414 1.00 10.00 H new ATOM 337 N LYS A 23 8.012 5.549 8.221 1.00 10.00 N ATOM 338 CA LYS A 23 7.805 6.844 7.598 1.00 10.00 C ATOM 339 C LYS A 23 6.400 7.348 7.935 1.00 10.00 C ATOM 340 O LYS A 23 6.229 8.498 8.338 1.00 10.00 O ATOM 341 CB LYS A 23 8.086 6.768 6.096 1.00 10.00 C ATOM 342 CG LYS A 23 9.451 7.373 5.763 1.00 10.00 C ATOM 343 CD LYS A 23 9.306 8.802 5.238 1.00 10.00 C ATOM 344 CE LYS A 23 10.674 9.448 5.018 1.00 10.00 C ATOM 345 NZ LYS A 23 10.630 10.376 3.867 1.00 10.00 N ATOM 0 H LYS A 23 7.553 4.770 7.748 1.00 10.00 H new ATOM 0 HA LYS A 23 8.511 7.574 7.994 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.055 5.729 5.769 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.306 7.298 5.549 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.080 7.371 6.653 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.953 6.757 5.017 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.749 8.794 4.301 1.00 10.00 H new ATOM 0 HD3 LYS A 23 8.729 9.396 5.947 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.977 9.987 5.916 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.423 8.676 4.842 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 11.567 10.806 3.732 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 10.362 9.853 3.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 9.930 11.123 4.050 1.00 10.00 H new ATOM 359 N LEU A 24 5.429 6.463 7.759 1.00 10.00 N ATOM 360 CA LEU A 24 4.046 6.804 8.040 1.00 10.00 C ATOM 361 C LEU A 24 3.824 6.813 9.553 1.00 10.00 C ATOM 362 O LEU A 24 4.411 7.625 10.266 1.00 10.00 O ATOM 363 CB LEU A 24 3.099 5.868 7.285 1.00 10.00 C ATOM 364 CG LEU A 24 3.191 5.909 5.758 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.565 5.439 5.278 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.056 5.108 5.119 1.00 10.00 C ATOM 0 H LEU A 24 5.574 5.510 7.425 1.00 10.00 H new ATOM 0 HA LEU A 24 3.821 7.807 7.679 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.292 4.847 7.613 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.076 6.108 7.574 1.00 10.00 H new ATOM 0 HG LEU A 24 3.075 6.944 5.437 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.603 5.478 4.189 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.337 6.088 5.692 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.736 4.415 5.610 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.145 5.153 4.034 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.115 4.070 5.445 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.098 5.529 5.423 1.00 10.00 H new ATOM 378 N GLY A 25 2.975 5.898 10.000 1.00 10.00 N ATOM 379 CA GLY A 25 2.668 5.791 11.417 1.00 10.00 C ATOM 380 C GLY A 25 1.343 5.059 11.637 1.00 10.00 C ATOM 381 O GLY A 25 0.574 5.413 12.529 1.00 10.00 O ATOM 0 H GLY A 25 2.491 5.225 9.406 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.471 5.259 11.927 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.615 6.787 11.857 1.00 10.00 H new ATOM 385 N CYS A 26 1.116 4.050 10.807 1.00 10.00 N ATOM 386 CA CYS A 26 -0.103 3.265 10.900 1.00 10.00 C ATOM 387 C CYS A 26 -1.271 4.134 10.427 1.00 10.00 C ATOM 388 O CYS A 26 -2.016 3.742 9.530 1.00 10.00 O ATOM 389 CB CYS A 26 -0.327 2.732 12.316 1.00 10.00 C ATOM 390 SG CYS A 26 1.200 2.491 13.295 1.00 10.00 S ATOM 0 H CYS A 26 1.756 3.759 10.068 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.021 2.386 10.260 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.979 3.423 12.850 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.855 1.780 12.252 1.00 10.00 H new ATOM 395 N ASP A 27 -1.393 5.296 11.049 1.00 10.00 N ATOM 396 CA ASP A 27 -2.457 6.223 10.703 1.00 10.00 C ATOM 397 C ASP A 27 -2.310 6.635 9.236 1.00 10.00 C ATOM 398 O ASP A 27 -1.987 7.785 8.941 1.00 10.00 O ATOM 399 CB ASP A 27 -2.387 7.488 11.560 1.00 10.00 C ATOM 400 CG ASP A 27 -2.625 7.271 13.055 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.926 6.114 13.419 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.502 8.268 13.800 1.00 10.00 O ATOM 0 H ASP A 27 -0.772 5.618 11.792 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.410 5.723 10.877 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.407 7.945 11.426 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.124 8.201 11.190 1.00 10.00 H new ATOM 407 N ALA A 28 -2.555 5.675 8.358 1.00 10.00 N ATOM 408 CA ALA A 28 -2.454 5.925 6.930 1.00 10.00 C ATOM 409 C ALA A 28 -3.597 5.205 6.209 1.00 10.00 C ATOM 410 O ALA A 28 -4.407 5.840 5.535 1.00 10.00 O ATOM 411 CB ALA A 28 -1.079 5.480 6.429 1.00 10.00 C ATOM 0 H ALA A 28 -2.823 4.723 8.607 1.00 10.00 H new ATOM 0 HA ALA A 28 -2.549 6.990 6.720 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -1.004 5.668 5.358 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -0.303 6.040 6.951 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.949 4.415 6.621 1.00 10.00 H new ATOM 417 N CYS A 29 -3.626 3.892 6.376 1.00 10.00 N ATOM 418 CA CYS A 29 -4.655 3.080 5.751 1.00 10.00 C ATOM 419 C CYS A 29 -5.544 2.496 6.851 1.00 10.00 C ATOM 420 O CYS A 29 -6.582 1.905 6.566 1.00 10.00 O ATOM 421 CB CYS A 29 -4.054 1.987 4.864 1.00 10.00 C ATOM 422 SG CYS A 29 -2.351 1.486 5.313 1.00 10.00 S ATOM 0 H CYS A 29 -2.952 3.369 6.936 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.258 3.702 5.090 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -4.699 1.109 4.905 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -4.055 2.335 3.831 1.00 10.00 H new ATOM 0 HG CYS A 29 -2.189 1.601 6.598 1.00 10.00 H new ATOM 427 N HIS A 30 -5.100 2.685 8.085 1.00 10.00 N ATOM 428 CA HIS A 30 -5.842 2.184 9.232 1.00 10.00 C ATOM 429 C HIS A 30 -6.603 3.335 9.893 1.00 10.00 C ATOM 430 O HIS A 30 -6.651 4.442 9.356 1.00 10.00 O ATOM 431 CB HIS A 30 -4.913 1.453 10.202 1.00 10.00 C ATOM 432 CG HIS A 30 -4.162 0.298 9.582 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.798 -0.769 8.973 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.823 0.057 9.482 1.00 10.00 C ATOM 435 CE1 HIS A 30 -3.874 -1.610 8.531 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.651 -1.096 8.849 1.00 10.00 N ATOM 0 H HIS A 30 -4.237 3.177 8.317 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.578 1.450 8.902 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.194 2.165 10.606 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.501 1.082 11.042 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -5.807 -0.888 8.880 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.037 0.696 9.855 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.057 -2.539 8.011 1.00 10.00 H new ATOM 444 N GLU A 31 -7.179 3.036 11.047 1.00 10.00 N ATOM 445 CA GLU A 31 -7.935 4.032 11.787 1.00 10.00 C ATOM 446 C GLU A 31 -8.675 3.376 12.956 1.00 10.00 C ATOM 447 O GLU A 31 -9.721 2.757 12.765 1.00 10.00 O ATOM 448 CB GLU A 31 -8.910 4.773 10.869 1.00 10.00 C ATOM 449 CG GLU A 31 -8.496 6.236 10.699 1.00 10.00 C ATOM 450 CD GLU A 31 -9.535 7.008 9.885 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.731 6.882 10.224 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.110 7.709 8.941 1.00 10.00 O ATOM 0 H GLU A 31 -7.138 2.117 11.489 1.00 10.00 H new ATOM 0 HA GLU A 31 -7.236 4.765 12.190 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.941 4.284 9.895 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.917 4.722 11.284 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.377 6.700 11.678 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.527 6.288 10.202 1.00 10.00 H new ATOM 459 N GLY A 32 -8.102 3.534 14.140 1.00 10.00 N ATOM 460 CA GLY A 32 -8.692 2.966 15.339 1.00 10.00 C ATOM 461 C GLY A 32 -8.597 1.439 15.326 1.00 10.00 C ATOM 462 O GLY A 32 -9.483 0.762 14.807 1.00 10.00 O ATOM 0 H GLY A 32 -7.234 4.048 14.294 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -8.183 3.358 16.220 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -9.737 3.268 15.413 1.00 10.00 H new ATOM 466 N THR A 33 -7.514 0.942 15.905 1.00 10.00 N ATOM 467 CA THR A 33 -7.290 -0.493 15.967 1.00 10.00 C ATOM 468 C THR A 33 -7.019 -1.051 14.570 1.00 10.00 C ATOM 469 O THR A 33 -7.936 -1.182 13.761 1.00 10.00 O ATOM 470 CB THR A 33 -8.501 -1.130 16.652 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.707 -0.327 17.811 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.192 -2.520 17.213 1.00 10.00 C ATOM 0 H THR A 33 -6.782 1.507 16.335 1.00 10.00 H new ATOM 0 HA THR A 33 -6.403 -0.731 16.555 1.00 10.00 H new ATOM 0 HB THR A 33 -9.325 -1.199 15.941 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.476 -0.669 18.314 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.084 -2.927 17.688 1.00 10.00 H new ATOM 0 HG22 THR A 33 -7.880 -3.178 16.402 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.391 -2.446 17.949 1.00 10.00 H new ATOM 480 N PRO A 34 -5.722 -1.374 14.321 1.00 10.00 N ATOM 481 CA PRO A 34 -5.318 -1.916 13.035 1.00 10.00 C ATOM 482 C PRO A 34 -5.744 -3.379 12.897 1.00 10.00 C ATOM 483 O PRO A 34 -5.809 -4.106 13.888 1.00 10.00 O ATOM 484 CB PRO A 34 -3.810 -1.730 12.985 1.00 10.00 C ATOM 485 CG PRO A 34 -3.368 -1.520 14.425 1.00 10.00 C ATOM 486 CD PRO A 34 -4.608 -1.233 15.255 1.00 10.00 C ATOM 0 HA PRO A 34 -5.797 -1.409 12.197 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -3.323 -2.603 12.550 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -3.542 -0.874 12.365 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -2.854 -2.405 14.800 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.664 -0.691 14.491 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.698 -1.932 16.087 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.575 -0.231 15.683 1.00 10.00 H new ATOM 494 N ALA A 35 -6.024 -3.767 11.662 1.00 10.00 N ATOM 495 CA ALA A 35 -6.442 -5.131 11.383 1.00 10.00 C ATOM 496 C ALA A 35 -6.166 -5.453 9.912 1.00 10.00 C ATOM 497 O ALA A 35 -5.749 -4.582 9.151 1.00 10.00 O ATOM 498 CB ALA A 35 -7.918 -5.297 11.749 1.00 10.00 C ATOM 0 H ALA A 35 -5.970 -3.161 10.843 1.00 10.00 H new ATOM 0 HA ALA A 35 -5.874 -5.838 11.988 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -8.232 -6.320 11.540 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.056 -5.085 12.809 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -8.519 -4.605 11.159 1.00 10.00 H new ATOM 504 N LYS A 36 -6.410 -6.707 9.559 1.00 10.00 N ATOM 505 CA LYS A 36 -6.192 -7.155 8.194 1.00 10.00 C ATOM 506 C LYS A 36 -7.205 -6.475 7.271 1.00 10.00 C ATOM 507 O LYS A 36 -8.387 -6.813 7.285 1.00 10.00 O ATOM 508 CB LYS A 36 -6.221 -8.683 8.121 1.00 10.00 C ATOM 509 CG LYS A 36 -7.658 -9.199 8.023 1.00 10.00 C ATOM 510 CD LYS A 36 -8.112 -9.285 6.565 1.00 10.00 C ATOM 511 CE LYS A 36 -7.814 -10.667 5.979 1.00 10.00 C ATOM 512 NZ LYS A 36 -9.069 -11.420 5.761 1.00 10.00 N ATOM 0 H LYS A 36 -6.756 -7.426 10.194 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.200 -6.862 7.850 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -5.650 -9.020 7.256 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -5.740 -9.102 9.004 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -7.727 -10.183 8.488 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -8.324 -8.537 8.577 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -9.181 -9.081 6.501 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -7.606 -8.520 5.977 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -7.279 -10.561 5.036 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -7.163 -11.222 6.654 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -8.848 -12.355 5.363 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -9.565 -11.538 6.667 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -9.677 -10.897 5.099 1.00 10.00 H new ATOM 526 N ILE A 37 -6.703 -5.529 6.490 1.00 10.00 N ATOM 527 CA ILE A 37 -7.550 -4.799 5.562 1.00 10.00 C ATOM 528 C ILE A 37 -7.918 -5.710 4.389 1.00 10.00 C ATOM 529 O ILE A 37 -7.299 -6.754 4.192 1.00 10.00 O ATOM 530 CB ILE A 37 -6.877 -3.491 5.139 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.608 -2.595 6.349 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.700 -2.774 4.066 1.00 10.00 C ATOM 533 CD1 ILE A 37 -6.089 -1.225 5.912 1.00 10.00 C ATOM 0 H ILE A 37 -5.721 -5.252 6.481 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.483 -4.509 6.045 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.910 -3.732 4.697 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.524 -2.473 6.927 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.879 -3.072 7.004 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.200 -1.848 3.783 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.796 -3.417 3.191 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.691 -2.546 4.459 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -5.906 -0.608 6.792 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -5.160 -1.348 5.356 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.831 -0.741 5.277 1.00 10.00 H new ATOM 545 N ALA A 38 -8.924 -5.281 3.641 1.00 10.00 N ATOM 546 CA ALA A 38 -9.381 -6.045 2.493 1.00 10.00 C ATOM 547 C ALA A 38 -8.799 -5.436 1.216 1.00 10.00 C ATOM 548 O ALA A 38 -9.403 -4.548 0.616 1.00 10.00 O ATOM 549 CB ALA A 38 -10.912 -6.078 2.479 1.00 10.00 C ATOM 0 H ALA A 38 -9.435 -4.414 3.808 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.033 -7.076 2.554 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.256 -6.651 1.618 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.274 -6.546 3.394 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.297 -5.060 2.415 1.00 10.00 H new ATOM 555 N ILE A 39 -7.633 -5.938 0.839 1.00 10.00 N ATOM 556 CA ILE A 39 -6.961 -5.455 -0.357 1.00 10.00 C ATOM 557 C ILE A 39 -7.279 -6.387 -1.527 1.00 10.00 C ATOM 558 O ILE A 39 -7.270 -7.608 -1.373 1.00 10.00 O ATOM 559 CB ILE A 39 -5.464 -5.281 -0.097 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.217 -4.307 1.058 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.732 -4.856 -1.372 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.680 -2.895 0.693 1.00 10.00 C ATOM 0 H ILE A 39 -7.136 -6.674 1.340 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.330 -4.466 -0.629 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.055 -6.246 0.203 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.747 -4.649 1.947 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.156 -4.293 1.306 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.669 -4.739 -1.160 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.867 -5.618 -2.140 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -5.138 -3.908 -1.726 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.493 -2.223 1.531 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -5.130 -2.547 -0.181 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.747 -2.908 0.469 1.00 10.00 H new ATOM 574 N ASP A 40 -7.551 -5.778 -2.671 1.00 10.00 N ATOM 575 CA ASP A 40 -7.870 -6.539 -3.867 1.00 10.00 C ATOM 576 C ASP A 40 -8.247 -5.576 -4.994 1.00 10.00 C ATOM 577 O ASP A 40 -7.455 -5.341 -5.906 1.00 10.00 O ATOM 578 CB ASP A 40 -9.058 -7.472 -3.625 1.00 10.00 C ATOM 579 CG ASP A 40 -8.706 -8.959 -3.539 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.582 -9.301 -3.965 1.00 10.00 O ATOM 581 OD2 ASP A 40 -9.568 -9.718 -3.046 1.00 10.00 O ATOM 0 H ASP A 40 -7.557 -4.766 -2.796 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.995 -7.131 -4.133 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -9.550 -7.176 -2.698 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.781 -7.331 -4.429 1.00 10.00 H new ATOM 586 N LYS A 41 -9.456 -5.043 -4.894 1.00 10.00 N ATOM 587 CA LYS A 41 -9.947 -4.110 -5.894 1.00 10.00 C ATOM 588 C LYS A 41 -10.570 -2.901 -5.195 1.00 10.00 C ATOM 589 O LYS A 41 -11.216 -3.044 -4.158 1.00 10.00 O ATOM 590 CB LYS A 41 -10.896 -4.816 -6.865 1.00 10.00 C ATOM 591 CG LYS A 41 -10.123 -5.709 -7.836 1.00 10.00 C ATOM 592 CD LYS A 41 -10.671 -5.577 -9.259 1.00 10.00 C ATOM 593 CE LYS A 41 -11.246 -6.908 -9.750 1.00 10.00 C ATOM 594 NZ LYS A 41 -10.747 -7.217 -11.109 1.00 10.00 N ATOM 0 H LYS A 41 -10.110 -5.239 -4.136 1.00 10.00 H new ATOM 0 HA LYS A 41 -9.124 -3.737 -6.504 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -11.613 -5.417 -6.306 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -11.468 -4.075 -7.424 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -9.067 -5.438 -7.823 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -10.190 -6.748 -7.512 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -11.445 -4.810 -9.285 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -9.876 -5.250 -9.930 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -10.967 -7.707 -9.063 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -12.335 -6.860 -9.758 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -11.146 -8.123 -11.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -11.034 -6.462 -11.764 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -9.709 -7.283 -11.091 1.00 10.00 H new ATOM 608 N LYS A 42 -10.354 -1.737 -5.790 1.00 10.00 N ATOM 609 CA LYS A 42 -10.887 -0.503 -5.236 1.00 10.00 C ATOM 610 C LYS A 42 -10.045 -0.085 -4.029 1.00 10.00 C ATOM 611 O LYS A 42 -9.501 1.017 -3.999 1.00 10.00 O ATOM 612 CB LYS A 42 -12.376 -0.656 -4.923 1.00 10.00 C ATOM 613 CG LYS A 42 -13.219 0.269 -5.804 1.00 10.00 C ATOM 614 CD LYS A 42 -14.695 0.212 -5.404 1.00 10.00 C ATOM 615 CE LYS A 42 -15.335 1.601 -5.472 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.498 2.162 -4.113 1.00 10.00 N ATOM 0 H LYS A 42 -9.817 -1.622 -6.650 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.819 0.303 -5.967 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.680 -1.691 -5.081 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.556 -0.427 -3.873 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.854 1.292 -5.717 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -13.110 -0.020 -6.849 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -15.229 -0.471 -6.065 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.787 -0.186 -4.393 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -14.715 2.265 -6.074 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -16.305 1.537 -5.965 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -15.933 3.104 -4.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -16.108 1.536 -3.550 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -14.567 2.241 -3.656 1.00 10.00 H new ATOM 630 N SER A 43 -9.962 -0.989 -3.064 1.00 10.00 N ATOM 631 CA SER A 43 -9.195 -0.729 -1.858 1.00 10.00 C ATOM 632 C SER A 43 -7.761 -1.234 -2.030 1.00 10.00 C ATOM 633 O SER A 43 -7.263 -1.993 -1.200 1.00 10.00 O ATOM 634 CB SER A 43 -9.847 -1.385 -0.638 1.00 10.00 C ATOM 635 OG SER A 43 -10.818 -0.538 -0.032 1.00 10.00 O ATOM 0 H SER A 43 -10.414 -1.903 -3.093 1.00 10.00 H new ATOM 0 HA SER A 43 -9.176 0.348 -1.691 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.319 -2.321 -0.938 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.078 -1.636 0.093 1.00 10.00 H new ATOM 0 HG SER A 43 -11.212 -0.993 0.741 1.00 10.00 H new ATOM 641 N ALA A 44 -7.137 -0.791 -3.112 1.00 10.00 N ATOM 642 CA ALA A 44 -5.771 -1.189 -3.403 1.00 10.00 C ATOM 643 C ALA A 44 -5.313 -0.513 -4.698 1.00 10.00 C ATOM 644 O ALA A 44 -4.153 -0.122 -4.821 1.00 10.00 O ATOM 645 CB ALA A 44 -5.689 -2.715 -3.482 1.00 10.00 C ATOM 0 H ALA A 44 -7.553 -0.160 -3.797 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.100 -0.867 -2.607 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.664 -3.013 -3.700 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.997 -3.146 -2.529 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -6.348 -3.074 -4.273 1.00 10.00 H new ATOM 651 N HIS A 45 -6.247 -0.398 -5.630 1.00 10.00 N ATOM 652 CA HIS A 45 -5.953 0.224 -6.910 1.00 10.00 C ATOM 653 C HIS A 45 -6.544 1.635 -6.943 1.00 10.00 C ATOM 654 O HIS A 45 -6.455 2.325 -7.957 1.00 10.00 O ATOM 655 CB HIS A 45 -6.445 -0.652 -8.064 1.00 10.00 C ATOM 656 CG HIS A 45 -5.451 -1.698 -8.509 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.708 -3.057 -8.438 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.197 -1.570 -9.031 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.651 -3.708 -8.898 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.715 -2.785 -9.266 1.00 10.00 N ATOM 0 H HIS A 45 -7.208 -0.725 -5.525 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.874 0.317 -7.035 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.368 -1.148 -7.762 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.689 -0.013 -8.913 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.566 -3.484 -8.090 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.684 -0.639 -9.221 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.547 -4.781 -8.970 1.00 10.00 H new ATOM 668 N LYS A 46 -7.134 2.020 -5.822 1.00 10.00 N ATOM 669 CA LYS A 46 -7.740 3.336 -5.710 1.00 10.00 C ATOM 670 C LYS A 46 -7.112 4.083 -4.531 1.00 10.00 C ATOM 671 O LYS A 46 -5.967 3.821 -4.165 1.00 10.00 O ATOM 672 CB LYS A 46 -9.263 3.220 -5.623 1.00 10.00 C ATOM 673 CG LYS A 46 -9.942 4.162 -6.618 1.00 10.00 C ATOM 674 CD LYS A 46 -10.456 5.423 -5.918 1.00 10.00 C ATOM 675 CE LYS A 46 -11.574 6.083 -6.728 1.00 10.00 C ATOM 676 NZ LYS A 46 -12.898 5.620 -6.257 1.00 10.00 N ATOM 0 H LYS A 46 -7.206 1.444 -4.983 1.00 10.00 H new ATOM 0 HA LYS A 46 -7.539 3.925 -6.605 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.565 2.192 -5.825 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.592 3.456 -4.611 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -9.237 4.439 -7.401 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.771 3.648 -7.103 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -10.824 5.167 -4.924 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -9.636 6.128 -5.782 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -11.507 7.167 -6.635 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -11.454 5.846 -7.785 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.645 6.078 -6.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.965 4.588 -6.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.016 5.868 -5.254 1.00 10.00 H new ATOM 690 N ASP A 47 -7.889 4.997 -3.970 1.00 10.00 N ATOM 691 CA ASP A 47 -7.423 5.784 -2.840 1.00 10.00 C ATOM 692 C ASP A 47 -6.621 4.886 -1.895 1.00 10.00 C ATOM 693 O ASP A 47 -5.612 5.312 -1.336 1.00 10.00 O ATOM 694 CB ASP A 47 -8.598 6.368 -2.054 1.00 10.00 C ATOM 695 CG ASP A 47 -8.543 7.881 -1.837 1.00 10.00 C ATOM 696 OD1 ASP A 47 -7.544 8.332 -1.236 1.00 10.00 O ATOM 697 OD2 ASP A 47 -9.502 8.552 -2.277 1.00 10.00 O ATOM 0 H ASP A 47 -8.838 5.211 -4.276 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.808 6.597 -3.226 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.523 6.125 -2.578 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.644 5.878 -1.081 1.00 10.00 H new ATOM 702 N ALA A 48 -7.100 3.659 -1.747 1.00 10.00 N ATOM 703 CA ALA A 48 -6.441 2.699 -0.880 1.00 10.00 C ATOM 704 C ALA A 48 -4.924 2.858 -1.009 1.00 10.00 C ATOM 705 O ALA A 48 -4.218 2.940 -0.006 1.00 10.00 O ATOM 706 CB ALA A 48 -6.910 1.286 -1.234 1.00 10.00 C ATOM 0 H ALA A 48 -7.937 3.309 -2.213 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.704 2.880 0.162 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.415 0.565 -0.583 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.989 1.216 -1.099 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.660 1.069 -2.272 1.00 10.00 H new ATOM 712 N CYS A 49 -4.469 2.899 -2.253 1.00 10.00 N ATOM 713 CA CYS A 49 -3.050 3.047 -2.526 1.00 10.00 C ATOM 714 C CYS A 49 -2.827 4.411 -3.183 1.00 10.00 C ATOM 715 O CYS A 49 -2.274 5.319 -2.563 1.00 10.00 O ATOM 716 CB CYS A 49 -2.518 1.903 -3.391 1.00 10.00 C ATOM 717 SG CYS A 49 -2.336 0.303 -2.522 1.00 10.00 S ATOM 0 H CYS A 49 -5.058 2.832 -3.083 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.490 2.999 -1.592 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.189 1.765 -4.239 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.548 2.193 -3.795 1.00 10.00 H new ATOM 0 HG CYS A 49 -3.028 -0.608 -3.140 1.00 10.00 H new ATOM 722 N LYS A 50 -3.268 4.512 -4.427 1.00 10.00 N ATOM 723 CA LYS A 50 -3.125 5.750 -5.174 1.00 10.00 C ATOM 724 C LYS A 50 -3.780 6.891 -4.393 1.00 10.00 C ATOM 725 O LYS A 50 -4.959 7.181 -4.583 1.00 10.00 O ATOM 726 CB LYS A 50 -3.669 5.585 -6.594 1.00 10.00 C ATOM 727 CG LYS A 50 -2.790 4.637 -7.412 1.00 10.00 C ATOM 728 CD LYS A 50 -2.319 5.304 -8.706 1.00 10.00 C ATOM 729 CE LYS A 50 -2.872 4.575 -9.932 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.299 4.911 -10.134 1.00 10.00 N ATOM 0 H LYS A 50 -3.725 3.756 -4.937 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.072 6.006 -5.289 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -4.687 5.199 -6.554 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -3.716 6.557 -7.084 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.926 4.334 -6.820 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -3.348 3.731 -7.648 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.642 6.345 -8.721 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.230 5.308 -8.742 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.298 4.852 -10.817 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.760 3.498 -9.803 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -4.659 4.408 -10.970 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.845 4.625 -9.296 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.397 5.936 -10.278 1.00 10.00 H new ATOM 744 N THR A 51 -2.984 7.508 -3.532 1.00 10.00 N ATOM 745 CA THR A 51 -3.472 8.611 -2.721 1.00 10.00 C ATOM 746 C THR A 51 -2.320 9.249 -1.941 1.00 10.00 C ATOM 747 O THR A 51 -2.229 10.473 -1.852 1.00 10.00 O ATOM 748 CB THR A 51 -4.592 8.080 -1.825 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.228 9.255 -1.330 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.058 7.390 -0.567 1.00 10.00 C ATOM 0 H THR A 51 -2.005 7.265 -3.378 1.00 10.00 H new ATOM 0 HA THR A 51 -3.883 9.407 -3.342 1.00 10.00 H new ATOM 0 HB THR A 51 -5.208 7.381 -2.391 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.109 9.023 -0.969 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.894 7.032 0.034 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.429 6.547 -0.853 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.470 8.099 0.015 1.00 10.00 H new ATOM 758 N CYS A 52 -1.470 8.392 -1.396 1.00 10.00 N ATOM 759 CA CYS A 52 -0.328 8.857 -0.627 1.00 10.00 C ATOM 760 C CYS A 52 0.909 8.806 -1.525 1.00 10.00 C ATOM 761 O CYS A 52 1.743 9.710 -1.491 1.00 10.00 O ATOM 762 CB CYS A 52 -0.138 8.040 0.653 1.00 10.00 C ATOM 763 SG CYS A 52 1.344 8.481 1.632 1.00 10.00 S ATOM 0 H CYS A 52 -1.549 7.378 -1.471 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.498 9.884 -0.303 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -1.021 8.164 1.281 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.080 6.984 0.388 1.00 10.00 H new ATOM 768 N HIS A 53 0.989 7.741 -2.308 1.00 10.00 N ATOM 769 CA HIS A 53 2.111 7.560 -3.214 1.00 10.00 C ATOM 770 C HIS A 53 2.195 8.751 -4.170 1.00 10.00 C ATOM 771 O HIS A 53 3.262 9.050 -4.703 1.00 10.00 O ATOM 772 CB HIS A 53 2.010 6.219 -3.944 1.00 10.00 C ATOM 773 CG HIS A 53 2.647 5.068 -3.205 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.259 4.008 -3.851 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.761 4.820 -1.868 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.717 3.167 -2.935 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.407 3.672 -1.707 1.00 10.00 N ATOM 0 H HIS A 53 0.295 6.994 -2.334 1.00 10.00 H new ATOM 0 HA HIS A 53 3.041 7.528 -2.646 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.959 5.989 -4.116 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.480 6.314 -4.923 1.00 10.00 H new ATOM 0 HD1 HIS A 53 3.343 3.894 -4.861 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.388 5.451 -1.075 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.243 2.244 -3.127 1.00 10.00 H new ATOM 785 N LYS A 54 1.055 9.399 -4.359 1.00 10.00 N ATOM 786 CA LYS A 54 0.986 10.551 -5.242 1.00 10.00 C ATOM 787 C LYS A 54 2.153 11.492 -4.937 1.00 10.00 C ATOM 788 O LYS A 54 2.581 12.255 -5.801 1.00 10.00 O ATOM 789 CB LYS A 54 -0.387 11.220 -5.144 1.00 10.00 C ATOM 790 CG LYS A 54 -1.504 10.235 -5.496 1.00 10.00 C ATOM 791 CD LYS A 54 -2.664 10.949 -6.192 1.00 10.00 C ATOM 792 CE LYS A 54 -3.982 10.208 -5.960 1.00 10.00 C ATOM 793 NZ LYS A 54 -4.921 11.050 -5.184 1.00 10.00 N ATOM 0 H LYS A 54 0.171 9.148 -3.916 1.00 10.00 H new ATOM 0 HA LYS A 54 1.090 10.241 -6.282 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -0.538 11.601 -4.134 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.427 12.076 -5.817 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.112 9.452 -6.145 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.863 9.748 -4.590 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.745 11.969 -5.817 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.464 11.017 -7.261 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -4.430 9.942 -6.917 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -3.793 9.277 -5.426 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -5.810 10.532 -5.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.498 11.283 -4.263 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -5.115 11.927 -5.708 1.00 10.00 H new ATOM 807 N SER A 55 2.632 11.409 -3.706 1.00 10.00 N ATOM 808 CA SER A 55 3.741 12.243 -3.275 1.00 10.00 C ATOM 809 C SER A 55 5.019 11.408 -3.179 1.00 10.00 C ATOM 810 O SER A 55 6.027 11.733 -3.804 1.00 10.00 O ATOM 811 CB SER A 55 3.440 12.911 -1.932 1.00 10.00 C ATOM 812 OG SER A 55 4.348 13.972 -1.647 1.00 10.00 O ATOM 0 H SER A 55 2.272 10.776 -2.992 1.00 10.00 H new ATOM 0 HA SER A 55 3.884 13.029 -4.016 1.00 10.00 H new ATOM 0 HB2 SER A 55 2.421 13.298 -1.940 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.492 12.167 -1.137 1.00 10.00 H new ATOM 0 HG SER A 55 4.121 14.373 -0.782 1.00 10.00 H new ATOM 818 N ASN A 56 4.935 10.347 -2.389 1.00 10.00 N ATOM 819 CA ASN A 56 6.072 9.462 -2.201 1.00 10.00 C ATOM 820 C ASN A 56 6.076 8.403 -3.305 1.00 10.00 C ATOM 821 O ASN A 56 5.041 7.810 -3.605 1.00 10.00 O ATOM 822 CB ASN A 56 5.993 8.740 -0.855 1.00 10.00 C ATOM 823 CG ASN A 56 5.323 9.623 0.202 1.00 10.00 C ATOM 824 OD1 ASN A 56 4.001 9.497 0.251 1.00 10.00 O flip ATOM 825 ND2 ASN A 56 5.966 10.368 0.923 1.00 10.00 N flip ATOM 0 H ASN A 56 4.097 10.081 -1.872 1.00 10.00 H new ATOM 0 HA ASN A 56 6.978 10.067 -2.233 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.432 7.812 -0.968 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.995 8.468 -0.525 1.00 10.00 H new ATOM 0 HD21 ASN A 56 6.981 10.416 0.832 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.489 10.943 1.617 1.00 10.00 H new ATOM 832 N ASN A 57 7.252 8.198 -3.880 1.00 10.00 N ATOM 833 CA ASN A 57 7.404 7.220 -4.945 1.00 10.00 C ATOM 834 C ASN A 57 6.853 7.802 -6.248 1.00 10.00 C ATOM 835 O ASN A 57 6.324 8.912 -6.262 1.00 10.00 O ATOM 836 CB ASN A 57 6.627 5.940 -4.632 1.00 10.00 C ATOM 837 CG ASN A 57 7.515 4.705 -4.802 1.00 10.00 C ATOM 838 OD1 ASN A 57 8.298 4.595 -5.730 1.00 10.00 O ATOM 839 ND2 ASN A 57 7.348 3.785 -3.855 1.00 10.00 N ATOM 0 H ASN A 57 8.108 8.692 -3.629 1.00 10.00 H new ATOM 0 HA ASN A 57 8.464 6.984 -5.038 1.00 10.00 H new ATOM 0 HB2 ASN A 57 6.247 5.981 -3.611 1.00 10.00 H new ATOM 0 HB3 ASN A 57 5.762 5.864 -5.291 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.894 2.924 -3.879 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.674 3.941 -3.105 1.00 10.00 H new ATOM 846 N GLY A 58 6.993 7.024 -7.311 1.00 10.00 N ATOM 847 CA GLY A 58 6.515 7.448 -8.617 1.00 10.00 C ATOM 848 C GLY A 58 5.392 6.536 -9.112 1.00 10.00 C ATOM 849 O GLY A 58 5.639 5.592 -9.861 1.00 10.00 O ATOM 0 H GLY A 58 7.430 6.103 -7.295 1.00 10.00 H new ATOM 0 HA2 GLY A 58 6.156 8.476 -8.561 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.339 7.437 -9.331 1.00 10.00 H new ATOM 853 N PRO A 59 4.149 6.859 -8.664 1.00 10.00 N ATOM 854 CA PRO A 59 2.987 6.079 -9.053 1.00 10.00 C ATOM 855 C PRO A 59 2.581 6.383 -10.497 1.00 10.00 C ATOM 856 O PRO A 59 3.383 6.898 -11.275 1.00 10.00 O ATOM 857 CB PRO A 59 1.910 6.446 -8.045 1.00 10.00 C ATOM 858 CG PRO A 59 2.358 7.754 -7.415 1.00 10.00 C ATOM 859 CD PRO A 59 3.818 7.970 -7.776 1.00 10.00 C ATOM 0 HA PRO A 59 3.178 5.006 -9.039 1.00 10.00 H new ATOM 0 HB2 PRO A 59 0.941 6.559 -8.532 1.00 10.00 H new ATOM 0 HB3 PRO A 59 1.799 5.667 -7.291 1.00 10.00 H new ATOM 0 HG2 PRO A 59 1.749 8.581 -7.779 1.00 10.00 H new ATOM 0 HG3 PRO A 59 2.234 7.719 -6.333 1.00 10.00 H new ATOM 0 HD2 PRO A 59 3.966 8.930 -8.271 1.00 10.00 H new ATOM 0 HD3 PRO A 59 4.450 7.969 -6.888 1.00 10.00 H new ATOM 867 N THR A 60 1.338 6.050 -10.811 1.00 10.00 N ATOM 868 CA THR A 60 0.817 6.281 -12.147 1.00 10.00 C ATOM 869 C THR A 60 1.195 5.124 -13.074 1.00 10.00 C ATOM 870 O THR A 60 0.342 4.580 -13.774 1.00 10.00 O ATOM 871 CB THR A 60 1.332 7.638 -12.629 1.00 10.00 C ATOM 872 OG1 THR A 60 1.292 8.457 -11.463 1.00 10.00 O ATOM 873 CG2 THR A 60 0.366 8.322 -13.597 1.00 10.00 C ATOM 0 H THR A 60 0.677 5.622 -10.163 1.00 10.00 H new ATOM 0 HA THR A 60 -0.273 6.313 -12.146 1.00 10.00 H new ATOM 0 HB THR A 60 2.299 7.507 -13.114 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.612 9.357 -11.684 1.00 10.00 H new ATOM 0 HG21 THR A 60 0.781 9.281 -13.908 1.00 10.00 H new ATOM 0 HG22 THR A 60 0.219 7.689 -14.472 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.591 8.484 -13.102 1.00 10.00 H new ATOM 881 N LYS A 61 2.475 4.782 -13.050 1.00 10.00 N ATOM 882 CA LYS A 61 2.976 3.700 -13.880 1.00 10.00 C ATOM 883 C LYS A 61 3.144 2.442 -13.024 1.00 10.00 C ATOM 884 O LYS A 61 2.985 2.491 -11.806 1.00 10.00 O ATOM 885 CB LYS A 61 4.257 4.128 -14.601 1.00 10.00 C ATOM 886 CG LYS A 61 4.162 5.581 -15.072 1.00 10.00 C ATOM 887 CD LYS A 61 5.127 5.846 -16.229 1.00 10.00 C ATOM 888 CE LYS A 61 4.375 6.355 -17.461 1.00 10.00 C ATOM 889 NZ LYS A 61 3.493 5.299 -18.005 1.00 10.00 N ATOM 0 H LYS A 61 3.180 5.235 -12.469 1.00 10.00 H new ATOM 0 HA LYS A 61 2.260 3.459 -14.665 1.00 10.00 H new ATOM 0 HB2 LYS A 61 5.110 4.014 -13.932 1.00 10.00 H new ATOM 0 HB3 LYS A 61 4.433 3.475 -15.456 1.00 10.00 H new ATOM 0 HG2 LYS A 61 3.142 5.799 -15.388 1.00 10.00 H new ATOM 0 HG3 LYS A 61 4.389 6.251 -14.243 1.00 10.00 H new ATOM 0 HD2 LYS A 61 5.873 6.580 -15.925 1.00 10.00 H new ATOM 0 HD3 LYS A 61 5.663 4.930 -16.478 1.00 10.00 H new ATOM 0 HE2 LYS A 61 3.782 7.231 -17.196 1.00 10.00 H new ATOM 0 HE3 LYS A 61 5.087 6.671 -18.224 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 3.204 5.552 -18.971 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 4.005 4.394 -18.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 2.649 5.208 -17.404 1.00 10.00 H new ATOM 903 N CYS A 62 3.462 1.346 -13.697 1.00 10.00 N ATOM 904 CA CYS A 62 3.651 0.078 -13.013 1.00 10.00 C ATOM 905 C CYS A 62 4.976 0.138 -12.249 1.00 10.00 C ATOM 906 O CYS A 62 5.878 -0.660 -12.501 1.00 10.00 O ATOM 907 CB CYS A 62 3.606 -1.101 -13.987 1.00 10.00 C ATOM 908 SG CYS A 62 1.934 -1.774 -14.301 1.00 10.00 S ATOM 0 H CYS A 62 3.593 1.310 -14.708 1.00 10.00 H new ATOM 0 HA CYS A 62 2.834 -0.085 -12.310 1.00 10.00 H new ATOM 0 HB2 CYS A 62 4.040 -0.787 -14.936 1.00 10.00 H new ATOM 0 HB3 CYS A 62 4.237 -1.900 -13.597 1.00 10.00 H new ATOM 0 HG CYS A 62 1.407 -1.168 -15.323 1.00 10.00 H new ATOM 913 N GLY A 63 5.051 1.091 -11.333 1.00 10.00 N ATOM 914 CA GLY A 63 6.250 1.265 -10.530 1.00 10.00 C ATOM 915 C GLY A 63 5.902 1.739 -9.119 1.00 10.00 C ATOM 916 O GLY A 63 6.495 1.281 -8.142 1.00 10.00 O ATOM 0 H GLY A 63 4.301 1.751 -11.128 1.00 10.00 H new ATOM 0 HA2 GLY A 63 6.796 0.323 -10.476 1.00 10.00 H new ATOM 0 HA3 GLY A 63 6.910 1.989 -11.008 1.00 10.00 H new ATOM 920 N GLY A 64 4.941 2.650 -9.055 1.00 10.00 N ATOM 921 CA GLY A 64 4.507 3.190 -7.779 1.00 10.00 C ATOM 922 C GLY A 64 4.629 2.144 -6.669 1.00 10.00 C ATOM 923 O GLY A 64 5.004 2.467 -5.543 1.00 10.00 O ATOM 0 H GLY A 64 4.451 3.027 -9.867 1.00 10.00 H new ATOM 0 HA2 GLY A 64 5.108 4.064 -7.527 1.00 10.00 H new ATOM 0 HA3 GLY A 64 3.473 3.525 -7.855 1.00 10.00 H new ATOM 927 N CYS A 65 4.305 0.909 -7.026 1.00 10.00 N ATOM 928 CA CYS A 65 4.374 -0.187 -6.075 1.00 10.00 C ATOM 929 C CYS A 65 4.892 -1.427 -6.807 1.00 10.00 C ATOM 930 O CYS A 65 5.947 -1.959 -6.466 1.00 10.00 O ATOM 931 CB CYS A 65 3.021 -0.442 -5.406 1.00 10.00 C ATOM 932 SG CYS A 65 1.567 -0.131 -6.473 1.00 10.00 S ATOM 0 H CYS A 65 3.994 0.644 -7.961 1.00 10.00 H new ATOM 0 HA CYS A 65 5.061 0.071 -5.269 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.989 -1.477 -5.065 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.945 0.188 -4.520 1.00 10.00 H new ATOM 937 N HIS A 66 4.124 -1.850 -7.801 1.00 10.00 N ATOM 938 CA HIS A 66 4.493 -3.018 -8.585 1.00 10.00 C ATOM 939 C HIS A 66 5.932 -2.868 -9.083 1.00 10.00 C ATOM 940 O HIS A 66 6.399 -1.755 -9.317 1.00 10.00 O ATOM 941 CB HIS A 66 3.493 -3.247 -9.720 1.00 10.00 C ATOM 942 CG HIS A 66 2.224 -3.944 -9.291 1.00 10.00 C ATOM 943 ND1 HIS A 66 2.224 -5.158 -8.628 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.917 -3.584 -9.435 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.968 -5.506 -8.390 1.00 10.00 C ATOM 946 NE2 HIS A 66 0.159 -4.529 -8.891 1.00 10.00 N ATOM 0 H HIS A 66 3.249 -1.406 -8.081 1.00 10.00 H new ATOM 0 HA HIS A 66 4.454 -3.909 -7.959 1.00 10.00 H new ATOM 0 HB2 HIS A 66 3.235 -2.285 -10.162 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.974 -3.838 -10.500 1.00 10.00 H new ATOM 0 HD1 HIS A 66 3.051 -5.695 -8.367 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.559 -2.683 -9.911 1.00 10.00 H new ATOM 0 HE1 HIS A 66 0.642 -6.405 -7.888 1.00 10.00 H new ATOM 954 N ILE A 67 6.594 -4.007 -9.230 1.00 10.00 N ATOM 955 CA ILE A 67 7.970 -4.017 -9.695 1.00 10.00 C ATOM 956 C ILE A 67 8.067 -4.859 -10.969 1.00 10.00 C ATOM 957 O ILE A 67 8.547 -5.991 -10.934 1.00 10.00 O ATOM 958 CB ILE A 67 8.909 -4.479 -8.580 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.739 -3.617 -7.327 1.00 10.00 C ATOM 960 CG2 ILE A 67 10.361 -4.506 -9.062 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.341 -4.474 -6.122 1.00 10.00 C ATOM 0 H ILE A 67 6.203 -4.929 -9.035 1.00 10.00 H new ATOM 0 HA ILE A 67 8.292 -3.008 -9.954 1.00 10.00 H new ATOM 0 HB ILE A 67 8.640 -5.500 -8.309 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.670 -3.092 -7.113 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.978 -2.857 -7.504 1.00 10.00 H new ATOM 0 HG21 ILE A 67 11.008 -4.838 -8.250 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.452 -5.193 -9.903 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.658 -3.506 -9.377 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.227 -3.837 -5.245 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.397 -4.978 -6.330 1.00 10.00 H new ATOM 0 HD13 ILE A 67 9.115 -5.217 -5.932 1.00 10.00 H new ATOM 973 N LYS A 68 7.602 -4.275 -12.063 1.00 10.00 N ATOM 974 CA LYS A 68 7.630 -4.957 -13.346 1.00 10.00 C ATOM 975 C LYS A 68 8.992 -4.734 -14.008 1.00 10.00 C ATOM 976 O LYS A 68 9.788 -3.923 -13.539 1.00 10.00 O ATOM 977 CB LYS A 68 6.446 -4.521 -14.211 1.00 10.00 C ATOM 978 CG LYS A 68 5.454 -5.669 -14.401 1.00 10.00 C ATOM 979 CD LYS A 68 5.019 -5.782 -15.863 1.00 10.00 C ATOM 980 CE LYS A 68 3.494 -5.792 -15.984 1.00 10.00 C ATOM 981 NZ LYS A 68 3.086 -5.905 -17.402 1.00 10.00 N ATOM 0 H LYS A 68 7.203 -3.336 -12.088 1.00 10.00 H new ATOM 0 HA LYS A 68 7.515 -6.032 -13.209 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.943 -3.674 -13.745 1.00 10.00 H new ATOM 0 HB3 LYS A 68 6.806 -4.182 -15.182 1.00 10.00 H new ATOM 0 HG2 LYS A 68 5.910 -6.605 -14.080 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.580 -5.508 -13.769 1.00 10.00 H new ATOM 0 HD2 LYS A 68 5.427 -4.947 -16.433 1.00 10.00 H new ATOM 0 HD3 LYS A 68 5.428 -6.694 -16.298 1.00 10.00 H new ATOM 0 HE2 LYS A 68 3.084 -6.626 -15.414 1.00 10.00 H new ATOM 0 HE3 LYS A 68 3.083 -4.879 -15.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 2.048 -5.910 -17.465 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.461 -5.096 -17.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.462 -6.788 -17.802 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.518 1.173 -12.836 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.001 -2.235 8.916 1.00 10.00 FE HETATM 998 CHA HEC A 98 -2.718 -5.108 8.335 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.065 -2.920 12.242 1.00 10.00 C HETATM 1000 CHC HEC A 98 1.124 0.307 9.406 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.484 -1.286 5.774 1.00 10.00 C HETATM 1002 NA HEC A 98 -1.747 -3.700 10.003 1.00 10.00 N HETATM 1003 C1A HEC A 98 -2.427 -4.804 9.657 1.00 10.00 C HETATM 1004 C2A HEC A 98 -2.526 -5.778 10.770 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.081 -5.124 11.843 1.00 10.00 C HETATM 1006 C4A HEC A 98 -1.566 -3.885 11.462 1.00 10.00 C HETATM 1007 CMA HEC A 98 -2.001 -5.710 13.305 1.00 10.00 C HETATM 1008 CAA HEC A 98 -3.240 -7.091 10.613 1.00 10.00 C HETATM 1009 CBA HEC A 98 -2.397 -8.025 9.686 1.00 10.00 C HETATM 1010 CGA HEC A 98 -1.576 -9.127 10.340 1.00 10.00 C HETATM 1011 O1A HEC A 98 -2.260 -10.051 10.794 1.00 10.00 O HETATM 1012 O2A HEC A 98 -0.329 -9.059 10.370 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.126 -1.433 10.530 1.00 10.00 N HETATM 1014 C1B HEC A 98 -0.458 -1.736 11.845 1.00 10.00 C HETATM 1015 C2B HEC A 98 0.343 -0.834 12.668 1.00 10.00 C HETATM 1016 C3B HEC A 98 1.026 0.047 11.896 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.651 -0.338 10.563 1.00 10.00 C HETATM 1018 CMB HEC A 98 0.234 -0.848 14.236 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.910 1.216 12.247 1.00 10.00 C HETATM 1020 CBB HEC A 98 3.338 0.825 12.657 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.327 -0.767 7.756 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.557 0.222 8.061 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.805 1.201 7.078 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.102 0.725 6.030 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.667 -0.439 6.465 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.703 2.400 7.133 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.254 1.376 4.657 1.00 10.00 C HETATM 1028 CBC HEC A 98 -0.365 2.914 4.762 1.00 10.00 C HETATM 1029 ND HEC A 98 -1.936 -3.033 7.334 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.038 -2.478 6.063 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.747 -3.333 5.232 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.069 -4.429 5.938 1.00 10.00 C HETATM 1033 C4D HEC A 98 -2.483 -4.274 7.266 1.00 10.00 C HETATM 1034 CMD HEC A 98 -3.041 -3.104 3.679 1.00 10.00 C HETATM 1035 CAD HEC A 98 -3.742 -5.701 5.363 1.00 10.00 C HETATM 1036 CBD HEC A 98 -2.793 -6.548 4.549 1.00 10.00 C HETATM 1037 CGD HEC A 98 -1.306 -6.272 4.664 1.00 10.00 C HETATM 1038 O1D HEC A 98 -0.631 -7.060 5.380 1.00 10.00 O HETATM 1039 O2D HEC A 98 -0.939 -5.184 4.166 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.606 -2.181 3.548 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -2.098 -3.032 3.137 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.620 -3.942 3.291 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.385 3.056 7.943 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.729 2.078 7.309 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.649 2.939 6.187 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -0.789 -0.615 14.532 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 0.504 -1.835 14.611 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.911 -0.103 14.654 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -2.999 -5.997 13.637 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -1.351 -6.585 13.311 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -1.598 -4.954 13.979 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -2.960 -7.590 4.821 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -3.071 -6.444 3.500 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 -1.146 3.175 5.476 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 0.587 3.325 5.099 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 -0.614 3.328 3.785 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 3.301 0.178 13.534 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.820 0.295 11.835 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.908 1.724 12.893 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -3.078 -8.493 8.975 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -1.716 -7.398 9.110 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.142 -6.297 6.183 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.587 -5.409 4.740 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -3.385 -7.559 11.587 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -4.230 -6.932 10.186 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.742 -0.921 4.780 1.00 10.00 H new HETATM 0 HHC HEC A 98 2.006 0.936 9.525 1.00 10.00 H new HETATM 0 HHB HEC A 98 -1.143 -3.083 13.317 1.00 10.00 H new HETATM 0 HHA HEC A 98 -3.166 -6.080 8.128 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.406 0.814 3.735 1.00 10.00 H new HETATM 0 H2D HEC A 98 -0.008 -5.007 4.416 1.00 10.00 H new HETATM 0 H2A HEC A 98 0.019 -9.715 11.009 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.919 2.698 -0.146 1.00 10.00 FE HETATM 1073 CHA HEC A 128 7.300 2.904 -0.416 1.00 10.00 C HETATM 1074 CHB HEC A 128 3.957 0.030 -2.247 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.680 2.201 0.547 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.841 5.641 1.384 1.00 10.00 C HETATM 1077 NA HEC A 128 5.339 1.724 -1.102 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.669 1.902 -1.139 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.378 0.750 -1.746 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.416 -0.013 -2.266 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.165 0.485 -1.897 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.641 -1.361 -3.053 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.872 0.726 -1.891 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.393 -0.714 -1.574 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.257 -1.405 -2.618 1.00 10.00 C HETATM 1086 O1A HEC A 128 10.222 -0.866 -3.729 1.00 10.00 O HETATM 1087 O2A HEC A 128 10.933 -2.413 -2.317 1.00 10.00 O HETATM 1088 NB HEC A 128 2.549 1.365 -0.742 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.720 0.466 -1.788 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.435 -0.211 -1.937 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.503 0.333 -1.115 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.244 1.356 -0.427 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.209 -1.301 -3.047 1.00 10.00 C HETATM 1094 CAB HEC A 128 -0.969 0.065 -0.947 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.330 -0.678 0.351 1.00 10.00 C HETATM 1096 NC HEC A 128 2.539 3.768 0.806 1.00 10.00 N HETATM 1097 C1C HEC A 128 1.234 3.460 1.041 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.436 4.437 1.669 1.00 10.00 C HETATM 1099 C3C HEC A 128 1.342 5.396 1.950 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.621 5.031 1.345 1.00 10.00 C HETATM 1101 CMC HEC A 128 -1.016 4.388 2.037 1.00 10.00 C HETATM 1102 CAC HEC A 128 1.159 6.857 2.465 1.00 10.00 C HETATM 1103 CBC HEC A 128 0.068 6.950 3.556 1.00 10.00 C HETATM 1104 ND HEC A 128 5.304 4.045 0.386 1.00 10.00 N HETATM 1105 C1D HEC A 128 5.081 5.252 1.037 1.00 10.00 C HETATM 1106 C2D HEC A 128 6.290 5.903 1.249 1.00 10.00 C HETATM 1107 C3D HEC A 128 7.273 5.121 0.774 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.651 3.892 0.289 1.00 10.00 C HETATM 1109 CMD HEC A 128 6.488 7.290 2.013 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.791 5.395 0.927 1.00 10.00 C HETATM 1111 CBD HEC A 128 9.281 6.495 0.015 1.00 10.00 C HETATM 1112 CGD HEC A 128 9.014 6.365 -1.473 1.00 10.00 C HETATM 1113 O1D HEC A 128 9.958 6.667 -2.252 1.00 10.00 O HETATM 1114 O2D HEC A 128 7.821 6.129 -1.768 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.926 8.071 1.501 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 6.128 7.196 3.037 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 7.546 7.552 2.023 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -1.614 4.238 1.138 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.188 3.564 2.729 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.303 5.326 2.512 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.374 -0.859 -4.030 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 1.908 -2.123 -2.897 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.188 -1.677 -2.985 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.253 -1.170 -3.935 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.148 -2.079 -2.408 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.678 -1.768 -3.361 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 8.835 7.431 0.353 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 10.358 6.587 0.153 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -0.884 6.610 3.148 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.345 6.322 4.402 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.028 7.984 3.888 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.825 -1.644 0.370 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -1.013 -0.086 1.209 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.408 -0.831 0.395 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.963 -0.666 -0.646 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 8.527 -1.348 -1.384 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 9.005 5.664 1.961 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 9.344 4.480 0.715 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.156 1.015 -2.903 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.327 1.448 -1.214 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.803 6.656 1.779 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.269 1.883 0.978 1.00 10.00 H new HETATM 0 HHB HEC A 128 3.941 -0.778 -2.978 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.390 2.909 -0.406 1.00 10.00 H new HETATM 0 HAB HEC A 128 -1.714 0.371 -1.681 1.00 10.00 H new HETATM 0 H2D HEC A 128 7.681 5.160 -1.813 1.00 10.00 H new HETATM 0 H2A HEC A 128 11.242 -2.856 -3.135 1.00 10.00 H new HETATM 1147 FE HEC A 158 -1.850 -3.821 -9.274 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.290 -6.439 -7.657 1.00 10.00 C HETATM 1149 CHB HEC A 158 -1.688 -5.706 -12.095 1.00 10.00 C HETATM 1150 CHC HEC A 158 -0.922 -1.081 -10.962 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.452 -2.232 -6.389 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.378 -5.664 -9.725 1.00 10.00 N HETATM 1153 C1A HEC A 158 -2.945 -6.631 -8.987 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.442 -7.757 -9.816 1.00 10.00 C HETATM 1155 C3A HEC A 158 -2.955 -7.530 -11.036 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.333 -6.281 -11.072 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.172 -8.452 -12.295 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.117 -8.951 -9.205 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.165 -10.186 -9.310 1.00 10.00 C HETATM 1160 CGA HEC A 158 -3.787 -11.544 -9.600 1.00 10.00 C HETATM 1161 O1A HEC A 158 -3.148 -12.494 -9.132 1.00 10.00 O HETATM 1162 O2A HEC A 158 -4.854 -11.630 -10.244 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.377 -3.448 -11.184 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.166 -4.421 -12.153 1.00 10.00 C HETATM 1165 C2B HEC A 158 -0.733 -3.697 -13.346 1.00 10.00 C HETATM 1166 C3B HEC A 158 -0.572 -2.377 -13.079 1.00 10.00 C HETATM 1167 C4B HEC A 158 -0.936 -2.285 -11.691 1.00 10.00 C HETATM 1168 CMB HEC A 158 -0.366 -4.456 -14.672 1.00 10.00 C HETATM 1169 CAB HEC A 158 -0.067 -1.236 -13.922 1.00 10.00 C HETATM 1170 CBB HEC A 158 -0.789 0.099 -13.674 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.293 -1.992 -8.724 1.00 10.00 N HETATM 1172 C1C HEC A 158 -0.940 -0.937 -9.509 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.497 0.236 -8.865 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.692 -0.071 -7.566 1.00 10.00 C HETATM 1175 C4C HEC A 158 -1.098 -1.472 -7.466 1.00 10.00 C HETATM 1176 CMC HEC A 158 -0.038 1.533 -9.458 1.00 10.00 C HETATM 1177 CAC HEC A 158 -0.247 0.663 -6.263 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.390 2.197 -6.391 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.277 -4.245 -7.363 1.00 10.00 N HETATM 1180 C1D HEC A 158 -2.033 -3.438 -6.258 1.00 10.00 C HETATM 1181 C2D HEC A 158 -2.483 -4.068 -5.106 1.00 10.00 C HETATM 1182 C3D HEC A 158 -3.033 -5.241 -5.460 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.972 -5.324 -6.917 1.00 10.00 C HETATM 1184 CMD HEC A 158 -2.446 -3.462 -3.629 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.784 -6.203 -4.506 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.885 -7.266 -3.918 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.496 -8.275 -2.965 1.00 10.00 C HETATM 1188 O1D HEC A 158 -2.790 -9.275 -2.660 1.00 10.00 O HETATM 1189 O2D HEC A 158 -4.708 -8.090 -2.717 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -1.415 -3.245 -3.351 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -3.031 -2.543 -3.598 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -2.867 -4.184 -2.929 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.830 1.356 -10.093 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.842 1.965 -10.054 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.232 2.223 -8.659 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 0.459 -5.142 -14.482 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -1.232 -5.018 -15.021 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -0.071 -3.735 -15.434 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -2.769 -9.444 -12.093 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -4.238 -8.530 -12.509 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -2.660 -8.020 -13.155 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -2.437 -7.818 -4.745 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -2.073 -6.762 -3.394 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 0.231 2.553 -7.213 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.432 2.450 -6.587 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 -0.070 2.671 -5.463 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -1.850 -0.015 -13.894 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -0.664 0.392 -12.632 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -0.365 0.867 -14.320 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.435 -9.979 -10.092 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -2.614 -10.264 -8.372 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -4.235 -5.627 -3.698 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.599 -6.682 -5.049 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.361 -8.752 -8.161 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.056 -9.156 -9.719 1.00 10.00 H new HETATM 0 HHD HEC A 158 -1.214 -1.763 -5.434 1.00 10.00 H new HETATM 0 HHC HEC A 158 -0.895 -0.159 -11.543 1.00 10.00 H new HETATM 0 HHB HEC A 158 -1.558 -6.319 -12.987 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.854 -7.230 -7.162 1.00 10.00 H new HETATM 0 HAB HEC A 158 0.741 -1.347 -14.646 1.00 10.00 H new HETATM 0 H2D HEC A 158 -5.064 -8.862 -2.229 1.00 10.00 H new HETATM 0 H2A HEC A 158 -4.988 -12.557 -10.532 1.00 10.00 H new