USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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 69 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 69 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HEC HAC : A 69 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 69 HEC HAB : A 69 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 69 HEC H2D : A 69 HEC O2D : A 69 HEC CGD :(short bond) USER MOD NoAdj-H: A 70 HEC HAC : A 70 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 70 HEC HAB : A 70 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAC : A 71 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAB : A 71 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 23 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 70 HEC O2D : rot 107:sc= 1.12 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 71 HEC O2A : rot 50:sc= 1.11 USER MOD Set 3.1: A 1 ALA N :NH3+ -155:sc= 1.1 (180deg=0) USER MOD Set 3.2: A 69 HEC O2A : rot 179:sc= 0.954 USER MOD Single : A 5 THR OG1 : rot 46:sc= 1.17 USER MOD Single : A 6 TYR OH : rot 70:sc= -0.199 USER MOD Single : A 8 ASN : amide:sc= 0.271 K(o=0.27,f=-6.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.057 X(o=0.057,f=-0.035) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 1.15 (180deg=1.09) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.17 (180deg=0.709) 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 50 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.17) USER MOD Single : A 51 THR OG1 : rot -67:sc= 0.466 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.85 K(o=0.85,f=-0.3) USER MOD Single : A 57 ASN : amide:sc=-0.00179 X(o=-0.0018,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= 1.08 (180deg=-1.06!) USER MOD Single : A 70 HEC O2A : rot 179:sc= 0 USER MOD Single : A 71 HEC O2D : rot 172:sc= -0.199 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.626 3.916 -6.167 1.00 0.00 N ATOM 2 CA ALA A 1 11.715 3.520 -7.583 1.00 0.00 C ATOM 3 C ALA A 1 10.557 2.579 -7.904 1.00 0.00 C ATOM 4 O ALA A 1 9.835 2.190 -6.989 1.00 0.00 O ATOM 5 CB ALA A 1 13.067 2.860 -7.880 1.00 0.00 C ATOM 0 H1 ALA A 1 12.101 4.831 -6.032 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.626 4.000 -5.892 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.088 3.196 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 1 11.644 4.404 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.110 2.576 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.871 3.563 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.182 1.972 -7.259 1.00 0.00 H new ATOM 13 N ASP A 2 10.362 2.244 -9.178 1.00 0.00 N ATOM 14 CA ASP A 2 9.383 1.289 -9.664 1.00 0.00 C ATOM 15 C ASP A 2 9.486 -0.018 -8.873 1.00 0.00 C ATOM 16 O ASP A 2 10.485 -0.722 -8.985 1.00 0.00 O ATOM 17 CB ASP A 2 9.638 1.002 -11.161 1.00 0.00 C ATOM 18 CG ASP A 2 9.831 2.219 -12.063 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.396 3.225 -11.575 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.439 2.107 -13.243 1.00 0.00 O ATOM 0 H ASP A 2 10.913 2.655 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 2 8.385 1.709 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.524 0.373 -11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.799 0.422 -11.545 1.00 0.00 H new ATOM 25 N VAL A 3 8.443 -0.331 -8.098 1.00 0.00 N ATOM 26 CA VAL A 3 8.353 -1.499 -7.229 1.00 0.00 C ATOM 27 C VAL A 3 9.315 -1.364 -6.043 1.00 0.00 C ATOM 28 O VAL A 3 10.533 -1.365 -6.210 1.00 0.00 O ATOM 29 CB VAL A 3 8.523 -2.829 -7.995 1.00 0.00 C ATOM 30 CG1 VAL A 3 8.049 -3.993 -7.114 1.00 0.00 C ATOM 31 CG2 VAL A 3 7.733 -2.864 -9.312 1.00 0.00 C ATOM 0 H VAL A 3 7.605 0.250 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 3 7.341 -1.534 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 3 9.582 -2.920 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.169 -4.931 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.642 -4.023 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.998 -3.853 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.891 -3.823 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.671 -2.734 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.075 -2.060 -9.963 1.00 0.00 H new ATOM 41 N VAL A 4 8.768 -1.250 -4.830 1.00 0.00 N ATOM 42 CA VAL A 4 9.551 -1.211 -3.601 1.00 0.00 C ATOM 43 C VAL A 4 9.128 -2.396 -2.748 1.00 0.00 C ATOM 44 O VAL A 4 8.058 -2.970 -2.968 1.00 0.00 O ATOM 45 CB VAL A 4 9.324 0.130 -2.883 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.948 0.181 -1.477 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.907 1.278 -3.706 1.00 0.00 C ATOM 0 H VAL A 4 7.762 -1.182 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 4 10.619 -1.284 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 4 8.244 0.231 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.751 1.154 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.511 -0.601 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.024 0.027 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.739 2.221 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.978 1.123 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.421 1.310 -4.681 1.00 0.00 H new ATOM 57 N THR A 5 9.951 -2.737 -1.752 1.00 0.00 N ATOM 58 CA THR A 5 9.468 -3.418 -0.578 1.00 0.00 C ATOM 59 C THR A 5 9.846 -2.681 0.701 1.00 0.00 C ATOM 60 O THR A 5 10.888 -2.035 0.774 1.00 0.00 O ATOM 61 CB THR A 5 9.948 -4.874 -0.554 1.00 0.00 C ATOM 62 OG1 THR A 5 9.580 -5.418 0.692 1.00 0.00 O ATOM 63 CG2 THR A 5 11.458 -5.026 -0.758 1.00 0.00 C ATOM 0 H THR A 5 10.953 -2.546 -1.748 1.00 0.00 H new ATOM 0 HA THR A 5 8.379 -3.426 -0.627 1.00 0.00 H new ATOM 0 HB THR A 5 9.482 -5.400 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.652 -5.176 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.725 -6.083 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.739 -4.607 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.987 -4.496 0.034 1.00 0.00 H new ATOM 71 N TYR A 6 8.965 -2.794 1.700 1.00 0.00 N ATOM 72 CA TYR A 6 9.188 -2.278 3.042 1.00 0.00 C ATOM 73 C TYR A 6 10.225 -3.069 3.849 1.00 0.00 C ATOM 74 O TYR A 6 10.716 -2.539 4.839 1.00 0.00 O ATOM 75 CB TYR A 6 7.868 -2.193 3.814 1.00 0.00 C ATOM 76 CG TYR A 6 6.823 -1.300 3.177 1.00 0.00 C ATOM 77 CD1 TYR A 6 7.115 0.045 2.890 1.00 0.00 C ATOM 78 CD2 TYR A 6 5.572 -1.829 2.821 1.00 0.00 C ATOM 79 CE1 TYR A 6 6.189 0.826 2.181 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.647 -1.048 2.113 1.00 0.00 C ATOM 81 CZ TYR A 6 4.944 0.287 1.819 1.00 0.00 C ATOM 82 OH TYR A 6 4.036 1.040 1.142 1.00 0.00 O ATOM 0 H TYR A 6 8.062 -3.256 1.590 1.00 0.00 H new ATOM 0 HA TYR A 6 9.604 -1.279 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.456 -3.197 3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.073 -1.829 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.050 0.477 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.321 -2.843 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.434 1.843 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.708 -1.476 1.796 1.00 0.00 H new ATOM 0 HH TYR A 6 4.354 1.192 0.228 1.00 0.00 H new ATOM 92 N GLU A 7 10.536 -4.316 3.464 1.00 0.00 N ATOM 93 CA GLU A 7 11.424 -5.216 4.193 1.00 0.00 C ATOM 94 C GLU A 7 11.082 -5.329 5.689 1.00 0.00 C ATOM 95 O GLU A 7 11.594 -4.614 6.546 1.00 0.00 O ATOM 96 CB GLU A 7 12.877 -4.839 3.967 1.00 0.00 C ATOM 97 CG GLU A 7 13.271 -4.820 2.484 1.00 0.00 C ATOM 98 CD GLU A 7 14.777 -4.673 2.283 1.00 0.00 C ATOM 99 OE1 GLU A 7 15.525 -5.208 3.131 1.00 0.00 O ATOM 100 OE2 GLU A 7 15.153 -4.043 1.273 1.00 0.00 O ATOM 0 H GLU A 7 10.162 -4.732 2.611 1.00 0.00 H new ATOM 0 HA GLU A 7 11.265 -6.214 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.062 -3.855 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.516 -5.545 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.932 -5.741 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.759 -3.997 1.985 1.00 0.00 H new ATOM 107 N ASN A 8 10.224 -6.299 5.988 1.00 0.00 N ATOM 108 CA ASN A 8 9.543 -6.550 7.247 1.00 0.00 C ATOM 109 C ASN A 8 9.515 -8.069 7.412 1.00 0.00 C ATOM 110 O ASN A 8 9.576 -8.783 6.401 1.00 0.00 O ATOM 111 CB ASN A 8 8.126 -5.967 7.150 1.00 0.00 C ATOM 112 CG ASN A 8 7.429 -6.422 5.870 1.00 0.00 C ATOM 113 OD1 ASN A 8 7.429 -5.728 4.859 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.901 -7.642 5.846 1.00 0.00 N ATOM 0 H ASN A 8 9.966 -6.993 5.286 1.00 0.00 H new ATOM 0 HA ASN A 8 10.036 -6.090 8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.542 -6.278 8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.175 -4.878 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.494 -8.005 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.903 -8.215 6.690 1.00 0.00 H new ATOM 121 N LYS A 9 9.443 -8.581 8.648 1.00 0.00 N ATOM 122 CA LYS A 9 9.770 -9.987 8.902 1.00 0.00 C ATOM 123 C LYS A 9 8.674 -10.939 8.433 1.00 0.00 C ATOM 124 O LYS A 9 8.950 -12.105 8.169 1.00 0.00 O ATOM 125 CB LYS A 9 10.138 -10.225 10.371 1.00 0.00 C ATOM 126 CG LYS A 9 8.907 -10.297 11.292 1.00 0.00 C ATOM 127 CD LYS A 9 9.237 -10.154 12.784 1.00 0.00 C ATOM 128 CE LYS A 9 10.015 -8.862 13.107 1.00 0.00 C ATOM 129 NZ LYS A 9 9.377 -8.055 14.163 1.00 0.00 N ATOM 0 H LYS A 9 9.166 -8.051 9.474 1.00 0.00 H new ATOM 0 HA LYS A 9 10.651 -10.213 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.702 -11.154 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.793 -9.423 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.207 -9.512 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.401 -11.249 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.311 -10.167 13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.823 -11.015 13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.027 -9.122 13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.103 -8.261 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.095 -7.466 14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.649 -7.444 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.936 -8.685 14.863 1.00 0.00 H new ATOM 143 N LYS A 10 7.429 -10.454 8.356 1.00 0.00 N ATOM 144 CA LYS A 10 6.320 -11.225 7.798 1.00 0.00 C ATOM 145 C LYS A 10 6.727 -11.845 6.463 1.00 0.00 C ATOM 146 O LYS A 10 6.512 -13.032 6.245 1.00 0.00 O ATOM 147 CB LYS A 10 5.085 -10.342 7.597 1.00 0.00 C ATOM 148 CG LYS A 10 4.451 -9.781 8.873 1.00 0.00 C ATOM 149 CD LYS A 10 3.870 -10.878 9.778 1.00 0.00 C ATOM 150 CE LYS A 10 4.827 -11.251 10.922 1.00 0.00 C ATOM 151 NZ LYS A 10 4.363 -12.445 11.659 1.00 0.00 N ATOM 0 H LYS A 10 7.167 -9.522 8.677 1.00 0.00 H new ATOM 0 HA LYS A 10 6.072 -12.017 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.360 -9.507 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.331 -10.921 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.200 -9.217 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.660 -9.081 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.922 -10.539 10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.656 -11.765 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.822 -11.438 10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.915 -10.411 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.035 -12.665 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.425 -12.258 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.303 -13.253 11.008 1.00 0.00 H new ATOM 165 N GLY A 11 7.325 -11.028 5.593 1.00 0.00 N ATOM 166 CA GLY A 11 7.946 -11.511 4.371 1.00 0.00 C ATOM 167 C GLY A 11 8.101 -10.402 3.338 1.00 0.00 C ATOM 168 O GLY A 11 7.742 -10.611 2.187 1.00 0.00 O ATOM 0 H GLY A 11 7.389 -10.018 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.925 -11.931 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.344 -12.317 3.951 1.00 0.00 H new ATOM 172 N ASN A 12 8.634 -9.243 3.756 1.00 0.00 N ATOM 173 CA ASN A 12 9.093 -8.160 2.876 1.00 0.00 C ATOM 174 C ASN A 12 7.993 -7.793 1.879 1.00 0.00 C ATOM 175 O ASN A 12 7.970 -8.236 0.734 1.00 0.00 O ATOM 176 CB ASN A 12 10.360 -8.564 2.123 1.00 0.00 C ATOM 177 CG ASN A 12 11.615 -8.875 2.947 1.00 0.00 C ATOM 178 OD1 ASN A 12 12.670 -9.095 2.366 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.574 -8.907 4.283 1.00 0.00 N ATOM 0 H ASN A 12 8.761 -9.029 4.745 1.00 0.00 H new ATOM 0 HA ASN A 12 9.323 -7.294 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.127 -9.444 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.606 -7.761 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.420 -9.114 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.697 -8.724 4.771 1.00 0.00 H new ATOM 186 N VAL A 13 7.060 -6.976 2.348 1.00 0.00 N ATOM 187 CA VAL A 13 5.893 -6.556 1.587 1.00 0.00 C ATOM 188 C VAL A 13 6.361 -5.862 0.317 1.00 0.00 C ATOM 189 O VAL A 13 6.938 -4.780 0.415 1.00 0.00 O ATOM 190 CB VAL A 13 5.053 -5.582 2.423 1.00 0.00 C ATOM 191 CG1 VAL A 13 4.051 -4.812 1.550 1.00 0.00 C ATOM 192 CG2 VAL A 13 4.293 -6.311 3.527 1.00 0.00 C ATOM 0 H VAL A 13 7.095 -6.579 3.287 1.00 0.00 H new ATOM 0 HA VAL A 13 5.285 -7.425 1.335 1.00 0.00 H new ATOM 0 HB VAL A 13 5.750 -4.875 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.473 -4.131 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.590 -4.241 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.378 -5.516 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.708 -5.593 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.626 -7.050 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.001 -6.812 4.187 1.00 0.00 H new ATOM 202 N THR A 14 6.089 -6.456 -0.843 1.00 0.00 N ATOM 203 CA THR A 14 6.284 -5.818 -2.130 1.00 0.00 C ATOM 204 C THR A 14 5.099 -4.895 -2.388 1.00 0.00 C ATOM 205 O THR A 14 3.967 -5.219 -2.024 1.00 0.00 O ATOM 206 CB THR A 14 6.398 -6.893 -3.222 1.00 0.00 C ATOM 207 OG1 THR A 14 7.427 -7.790 -2.861 1.00 0.00 O ATOM 208 CG2 THR A 14 6.733 -6.296 -4.592 1.00 0.00 C ATOM 0 H THR A 14 5.723 -7.406 -0.909 1.00 0.00 H new ATOM 0 HA THR A 14 7.203 -5.232 -2.139 1.00 0.00 H new ATOM 0 HB THR A 14 5.434 -7.395 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.512 -8.484 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.803 -7.095 -5.330 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.949 -5.598 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.686 -5.769 -4.536 1.00 0.00 H new ATOM 216 N PHE A 15 5.348 -3.751 -3.023 1.00 0.00 N ATOM 217 CA PHE A 15 4.292 -2.896 -3.530 1.00 0.00 C ATOM 218 C PHE A 15 4.756 -2.216 -4.812 1.00 0.00 C ATOM 219 O PHE A 15 5.749 -1.480 -4.848 1.00 0.00 O ATOM 220 CB PHE A 15 3.811 -1.902 -2.469 1.00 0.00 C ATOM 221 CG PHE A 15 4.847 -0.919 -1.991 1.00 0.00 C ATOM 222 CD1 PHE A 15 5.819 -1.338 -1.068 1.00 0.00 C ATOM 223 CD2 PHE A 15 4.831 0.410 -2.453 1.00 0.00 C ATOM 224 CE1 PHE A 15 6.749 -0.417 -0.575 1.00 0.00 C ATOM 225 CE2 PHE A 15 5.758 1.335 -1.949 1.00 0.00 C ATOM 226 CZ PHE A 15 6.681 0.928 -0.971 1.00 0.00 C ATOM 0 H PHE A 15 6.288 -3.397 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 15 3.423 -3.508 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.965 -1.346 -2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.443 -2.463 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.848 -2.367 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.107 0.717 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.519 -0.740 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.762 2.353 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.342 1.654 -0.521 1.00 0.00 H new ATOM 236 N ASP A 16 4.026 -2.496 -5.887 1.00 0.00 N ATOM 237 CA ASP A 16 4.249 -1.952 -7.205 1.00 0.00 C ATOM 238 C ASP A 16 3.869 -0.474 -7.206 1.00 0.00 C ATOM 239 O ASP A 16 2.758 -0.105 -7.586 1.00 0.00 O ATOM 240 CB ASP A 16 3.473 -2.794 -8.222 1.00 0.00 C ATOM 241 CG ASP A 16 3.816 -4.269 -8.088 1.00 0.00 C ATOM 242 OD1 ASP A 16 3.391 -4.834 -7.054 1.00 0.00 O ATOM 243 OD2 ASP A 16 4.521 -4.778 -8.984 1.00 0.00 O ATOM 0 H ASP A 16 3.232 -3.136 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 16 5.299 -2.000 -7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.402 -2.652 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.704 -2.454 -9.232 1.00 0.00 H new ATOM 248 N HIS A 17 4.807 0.355 -6.740 1.00 0.00 N ATOM 249 CA HIS A 17 4.712 1.806 -6.666 1.00 0.00 C ATOM 250 C HIS A 17 4.178 2.396 -7.980 1.00 0.00 C ATOM 251 O HIS A 17 3.066 2.915 -8.043 1.00 0.00 O ATOM 252 CB HIS A 17 6.106 2.356 -6.315 1.00 0.00 C ATOM 253 CG HIS A 17 6.129 3.845 -6.090 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.749 4.778 -6.892 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.459 4.523 -5.107 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.449 5.991 -6.398 1.00 0.00 C ATOM 257 NE2 HIS A 17 5.665 5.888 -5.316 1.00 0.00 N ATOM 0 H HIS A 17 5.699 0.008 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 17 4.001 2.097 -5.893 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.469 1.856 -5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.798 2.108 -7.120 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.328 4.584 -7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.876 4.081 -4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.794 6.925 -6.817 1.00 0.00 H new ATOM 265 N LYS A 18 4.987 2.296 -9.039 1.00 0.00 N ATOM 266 CA LYS A 18 4.673 2.787 -10.370 1.00 0.00 C ATOM 267 C LYS A 18 3.313 2.269 -10.838 1.00 0.00 C ATOM 268 O LYS A 18 2.471 3.044 -11.274 1.00 0.00 O ATOM 269 CB LYS A 18 5.801 2.377 -11.327 1.00 0.00 C ATOM 270 CG LYS A 18 5.384 2.600 -12.784 1.00 0.00 C ATOM 271 CD LYS A 18 6.595 2.529 -13.714 1.00 0.00 C ATOM 272 CE LYS A 18 6.252 2.828 -15.179 1.00 0.00 C ATOM 273 NZ LYS A 18 5.282 1.867 -15.742 1.00 0.00 N ATOM 0 H LYS A 18 5.906 1.856 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 18 4.602 3.875 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.698 2.955 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.052 1.328 -11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.651 1.848 -13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.900 3.572 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.349 3.238 -13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.038 1.535 -13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.845 3.836 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.165 2.808 -15.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.450 1.762 -16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.397 0.944 -15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.315 2.217 -15.584 1.00 0.00 H new ATOM 287 N ALA A 19 3.105 0.957 -10.761 1.00 0.00 N ATOM 288 CA ALA A 19 1.834 0.351 -11.131 1.00 0.00 C ATOM 289 C ALA A 19 0.667 1.055 -10.444 1.00 0.00 C ATOM 290 O ALA A 19 -0.217 1.572 -11.118 1.00 0.00 O ATOM 291 CB ALA A 19 1.823 -1.112 -10.732 1.00 0.00 C ATOM 0 H ALA A 19 3.808 0.290 -10.443 1.00 0.00 H new ATOM 0 HA ALA A 19 1.721 0.448 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.869 -1.558 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.632 -1.635 -11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.960 -1.196 -9.654 1.00 0.00 H new ATOM 297 N HIS A 20 0.671 1.087 -9.105 1.00 0.00 N ATOM 298 CA HIS A 20 -0.360 1.770 -8.336 1.00 0.00 C ATOM 299 C HIS A 20 -0.491 3.193 -8.878 1.00 0.00 C ATOM 300 O HIS A 20 -1.590 3.697 -9.082 1.00 0.00 O ATOM 301 CB HIS A 20 -0.016 1.775 -6.833 1.00 0.00 C ATOM 302 CG HIS A 20 -0.384 0.510 -6.090 1.00 0.00 C ATOM 303 ND1 HIS A 20 0.284 -0.687 -6.169 1.00 0.00 N ATOM 304 CD2 HIS A 20 -1.405 0.350 -5.182 1.00 0.00 C ATOM 305 CE1 HIS A 20 -0.348 -1.549 -5.347 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.391 -0.971 -4.718 1.00 0.00 N ATOM 0 H HIS A 20 1.388 0.641 -8.533 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.311 1.247 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.055 1.946 -6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.524 2.616 -6.362 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.104 -0.887 -6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.102 1.117 -4.877 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.054 -2.579 -5.209 1.00 0.00 H new ATOM 314 N ALA A 21 0.643 3.832 -9.155 1.00 0.00 N ATOM 315 CA ALA A 21 0.633 5.200 -9.649 1.00 0.00 C ATOM 316 C ALA A 21 -0.149 5.319 -10.959 1.00 0.00 C ATOM 317 O ALA A 21 -1.114 6.059 -11.037 1.00 0.00 O ATOM 318 CB ALA A 21 2.054 5.749 -9.775 1.00 0.00 C ATOM 0 H ALA A 21 1.572 3.426 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 21 0.112 5.816 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.017 6.773 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.538 5.735 -8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.622 5.131 -10.470 1.00 0.00 H new ATOM 324 N GLU A 22 0.236 4.593 -11.999 1.00 0.00 N ATOM 325 CA GLU A 22 -0.339 4.750 -13.330 1.00 0.00 C ATOM 326 C GLU A 22 -1.783 4.247 -13.356 1.00 0.00 C ATOM 327 O GLU A 22 -2.659 4.885 -13.938 1.00 0.00 O ATOM 328 CB GLU A 22 0.558 4.102 -14.395 1.00 0.00 C ATOM 329 CG GLU A 22 0.639 2.573 -14.316 1.00 0.00 C ATOM 330 CD GLU A 22 1.773 2.043 -15.174 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.905 1.998 -14.648 1.00 0.00 O ATOM 332 OE2 GLU A 22 1.528 1.711 -16.350 1.00 0.00 O ATOM 0 H GLU A 22 0.959 3.875 -11.944 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.381 5.810 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.189 4.383 -15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.564 4.511 -14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.788 2.266 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.305 2.138 -14.645 1.00 0.00 H new ATOM 339 N LYS A 23 -2.032 3.106 -12.713 1.00 0.00 N ATOM 340 CA LYS A 23 -3.347 2.516 -12.567 1.00 0.00 C ATOM 341 C LYS A 23 -4.309 3.480 -11.876 1.00 0.00 C ATOM 342 O LYS A 23 -5.423 3.691 -12.348 1.00 0.00 O ATOM 343 CB LYS A 23 -3.197 1.239 -11.733 1.00 0.00 C ATOM 344 CG LYS A 23 -2.316 0.193 -12.434 1.00 0.00 C ATOM 345 CD LYS A 23 -3.127 -0.682 -13.381 1.00 0.00 C ATOM 346 CE LYS A 23 -3.975 -1.654 -12.546 1.00 0.00 C ATOM 347 NZ LYS A 23 -4.471 -2.824 -13.288 1.00 0.00 N ATOM 0 H LYS A 23 -1.297 2.556 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.759 2.291 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.763 1.488 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.182 0.813 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.526 0.697 -12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.830 -0.433 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.768 -0.065 -14.010 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.464 -1.234 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.380 -2.001 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.827 -1.112 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.776 -3.557 -12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.277 -2.542 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.711 -3.201 -13.890 1.00 0.00 H new ATOM 361 N LEU A 24 -3.895 4.000 -10.719 1.00 0.00 N ATOM 362 CA LEU A 24 -4.775 4.718 -9.807 1.00 0.00 C ATOM 363 C LEU A 24 -4.690 6.221 -10.078 1.00 0.00 C ATOM 364 O LEU A 24 -5.719 6.860 -10.280 1.00 0.00 O ATOM 365 CB LEU A 24 -4.441 4.357 -8.349 1.00 0.00 C ATOM 366 CG LEU A 24 -4.304 2.837 -8.120 1.00 0.00 C ATOM 367 CD1 LEU A 24 -3.593 2.525 -6.804 1.00 0.00 C ATOM 368 CD2 LEU A 24 -5.653 2.127 -8.175 1.00 0.00 C ATOM 0 H LEU A 24 -2.932 3.932 -10.390 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.809 4.417 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.510 4.847 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.221 4.748 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.691 2.456 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.516 1.445 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.594 2.961 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.161 2.947 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.509 1.059 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.308 2.530 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.107 2.284 -9.153 1.00 0.00 H new ATOM 380 N GLY A 25 -3.475 6.777 -10.121 1.00 0.00 N ATOM 381 CA GLY A 25 -3.219 8.142 -10.540 1.00 0.00 C ATOM 382 C GLY A 25 -1.995 8.655 -9.803 1.00 0.00 C ATOM 383 O GLY A 25 -0.900 8.690 -10.359 1.00 0.00 O ATOM 0 H GLY A 25 -2.629 6.272 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.056 8.183 -11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.082 8.772 -10.324 1.00 0.00 H new ATOM 387 N CYS A 26 -2.185 9.046 -8.544 1.00 0.00 N ATOM 388 CA CYS A 26 -1.144 9.562 -7.650 1.00 0.00 C ATOM 389 C CYS A 26 -1.801 9.950 -6.333 1.00 0.00 C ATOM 390 O CYS A 26 -1.423 9.479 -5.259 1.00 0.00 O ATOM 391 CB CYS A 26 -0.425 10.765 -8.247 1.00 0.00 C ATOM 392 SG CYS A 26 1.300 10.804 -7.707 1.00 0.00 S ATOM 0 H CYS A 26 -3.102 9.012 -8.100 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.394 8.786 -7.497 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.471 10.720 -9.335 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.928 11.684 -7.944 1.00 0.00 H new ATOM 397 N ASP A 27 -2.856 10.748 -6.500 1.00 0.00 N ATOM 398 CA ASP A 27 -3.925 11.083 -5.571 1.00 0.00 C ATOM 399 C ASP A 27 -4.206 9.935 -4.605 1.00 0.00 C ATOM 400 O ASP A 27 -4.310 10.130 -3.398 1.00 0.00 O ATOM 401 CB ASP A 27 -5.176 11.399 -6.416 1.00 0.00 C ATOM 402 CG ASP A 27 -5.626 10.260 -7.339 1.00 0.00 C ATOM 403 OD1 ASP A 27 -4.746 9.458 -7.746 1.00 0.00 O ATOM 404 OD2 ASP A 27 -6.841 10.211 -7.616 1.00 0.00 O ATOM 0 H ASP A 27 -2.993 11.226 -7.390 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.638 11.940 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.997 11.652 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.976 12.283 -7.022 1.00 0.00 H new ATOM 409 N ALA A 28 -4.287 8.735 -5.181 1.00 0.00 N ATOM 410 CA ALA A 28 -4.367 7.430 -4.556 1.00 0.00 C ATOM 411 C ALA A 28 -3.677 7.379 -3.193 1.00 0.00 C ATOM 412 O ALA A 28 -4.243 6.853 -2.236 1.00 0.00 O ATOM 413 CB ALA A 28 -3.720 6.441 -5.525 1.00 0.00 C ATOM 0 H ALA A 28 -4.299 8.654 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.411 7.183 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.755 5.438 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.261 6.452 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.682 6.726 -5.697 1.00 0.00 H new ATOM 419 N CYS A 29 -2.444 7.889 -3.134 1.00 0.00 N ATOM 420 CA CYS A 29 -1.618 7.874 -1.931 1.00 0.00 C ATOM 421 C CYS A 29 -1.018 9.248 -1.615 1.00 0.00 C ATOM 422 O CYS A 29 -0.850 9.586 -0.446 1.00 0.00 O ATOM 423 CB CYS A 29 -0.517 6.862 -2.091 1.00 0.00 C ATOM 424 SG CYS A 29 -1.145 5.234 -2.608 1.00 0.00 S ATOM 0 H CYS A 29 -1.988 8.329 -3.933 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.262 7.604 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.201 7.223 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.019 6.759 -1.147 1.00 0.00 H new ATOM 429 N HIS A 30 -0.638 10.024 -2.636 1.00 0.00 N ATOM 430 CA HIS A 30 0.056 11.290 -2.483 1.00 0.00 C ATOM 431 C HIS A 30 -0.880 12.415 -2.907 1.00 0.00 C ATOM 432 O HIS A 30 -1.131 12.584 -4.097 1.00 0.00 O ATOM 433 CB HIS A 30 1.302 11.314 -3.369 1.00 0.00 C ATOM 434 CG HIS A 30 2.369 10.317 -2.998 1.00 0.00 C ATOM 435 ND1 HIS A 30 3.457 10.556 -2.192 1.00 0.00 N ATOM 436 CD2 HIS A 30 2.663 9.215 -3.735 1.00 0.00 C ATOM 437 CE1 HIS A 30 4.381 9.603 -2.453 1.00 0.00 C ATOM 438 NE2 HIS A 30 3.933 8.764 -3.391 1.00 0.00 N ATOM 0 H HIS A 30 -0.812 9.776 -3.610 1.00 0.00 H new ATOM 0 HA HIS A 30 0.356 11.417 -1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.999 11.132 -4.400 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.734 12.314 -3.335 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.551 11.316 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.015 8.762 -4.470 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.345 9.531 -1.971 1.00 0.00 H new ATOM 446 N GLU A 31 -1.352 13.199 -1.939 1.00 0.00 N ATOM 447 CA GLU A 31 -2.242 14.323 -2.187 1.00 0.00 C ATOM 448 C GLU A 31 -1.445 15.537 -2.675 1.00 0.00 C ATOM 449 O GLU A 31 -1.060 15.630 -3.838 1.00 0.00 O ATOM 450 CB GLU A 31 -3.039 14.632 -0.908 1.00 0.00 C ATOM 451 CG GLU A 31 -4.049 13.534 -0.605 1.00 0.00 C ATOM 452 CD GLU A 31 -4.904 13.888 0.606 1.00 0.00 C ATOM 453 OE1 GLU A 31 -4.307 14.372 1.593 1.00 0.00 O ATOM 454 OE2 GLU A 31 -6.134 13.695 0.515 1.00 0.00 O ATOM 0 H GLU A 31 -1.123 13.068 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.950 14.068 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.354 14.740 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.557 15.584 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.690 13.377 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.526 12.596 -0.422 1.00 0.00 H new ATOM 461 N GLY A 32 -1.210 16.487 -1.769 1.00 0.00 N ATOM 462 CA GLY A 32 -0.565 17.761 -2.057 1.00 0.00 C ATOM 463 C GLY A 32 0.932 17.606 -2.325 1.00 0.00 C ATOM 464 O GLY A 32 1.744 18.047 -1.516 1.00 0.00 O ATOM 0 H GLY A 32 -1.472 16.385 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.041 18.219 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.713 18.439 -1.216 1.00 0.00 H new ATOM 468 N THR A 33 1.272 17.007 -3.471 1.00 0.00 N ATOM 469 CA THR A 33 2.622 16.818 -3.993 1.00 0.00 C ATOM 470 C THR A 33 3.304 15.628 -3.302 1.00 0.00 C ATOM 471 O THR A 33 3.360 15.582 -2.074 1.00 0.00 O ATOM 472 CB THR A 33 3.459 18.106 -3.885 1.00 0.00 C ATOM 473 OG1 THR A 33 2.703 19.199 -4.374 1.00 0.00 O ATOM 474 CG2 THR A 33 4.748 18.019 -4.707 1.00 0.00 C ATOM 0 H THR A 33 0.565 16.618 -4.095 1.00 0.00 H new ATOM 0 HA THR A 33 2.546 16.587 -5.055 1.00 0.00 H new ATOM 0 HB THR A 33 3.719 18.240 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.233 20.020 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.309 18.948 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.354 17.187 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.500 17.860 -5.756 1.00 0.00 H new ATOM 482 N PRO A 34 3.824 14.641 -4.049 1.00 0.00 N ATOM 483 CA PRO A 34 4.498 13.507 -3.450 1.00 0.00 C ATOM 484 C PRO A 34 5.872 13.915 -2.923 1.00 0.00 C ATOM 485 O PRO A 34 6.630 14.601 -3.605 1.00 0.00 O ATOM 486 CB PRO A 34 4.622 12.465 -4.556 1.00 0.00 C ATOM 487 CG PRO A 34 4.719 13.323 -5.806 1.00 0.00 C ATOM 488 CD PRO A 34 3.811 14.514 -5.497 1.00 0.00 C ATOM 0 HA PRO A 34 3.944 13.114 -2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.503 11.837 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.759 11.800 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.745 13.640 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.383 12.782 -6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.178 15.422 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.800 14.345 -5.868 1.00 0.00 H new ATOM 496 N ALA A 35 6.200 13.456 -1.715 1.00 0.00 N ATOM 497 CA ALA A 35 7.498 13.645 -1.094 1.00 0.00 C ATOM 498 C ALA A 35 7.670 12.518 -0.079 1.00 0.00 C ATOM 499 O ALA A 35 7.700 12.773 1.122 1.00 0.00 O ATOM 500 CB ALA A 35 7.556 15.034 -0.447 1.00 0.00 C ATOM 0 H ALA A 35 5.549 12.930 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 35 8.313 13.604 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.530 15.177 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.403 15.797 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.776 15.116 0.310 1.00 0.00 H new ATOM 506 N LYS A 36 7.742 11.278 -0.588 1.00 0.00 N ATOM 507 CA LYS A 36 7.688 10.016 0.132 1.00 0.00 C ATOM 508 C LYS A 36 6.436 9.842 1.008 1.00 0.00 C ATOM 509 O LYS A 36 5.717 10.801 1.278 1.00 0.00 O ATOM 510 CB LYS A 36 9.019 9.729 0.838 1.00 0.00 C ATOM 511 CG LYS A 36 9.506 10.732 1.889 1.00 0.00 C ATOM 512 CD LYS A 36 10.583 10.052 2.740 1.00 0.00 C ATOM 513 CE LYS A 36 9.914 9.186 3.816 1.00 0.00 C ATOM 514 NZ LYS A 36 10.801 8.102 4.285 1.00 0.00 N ATOM 0 H LYS A 36 7.848 11.131 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 36 7.562 9.228 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.939 8.754 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.791 9.645 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.909 11.622 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.676 11.058 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.225 9.436 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.221 10.803 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.630 9.813 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.996 8.756 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.537 7.832 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.705 7.278 3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.787 8.432 4.275 1.00 0.00 H new ATOM 528 N ILE A 37 6.146 8.597 1.415 1.00 0.00 N ATOM 529 CA ILE A 37 5.117 8.308 2.428 1.00 0.00 C ATOM 530 C ILE A 37 5.697 7.479 3.569 1.00 0.00 C ATOM 531 O ILE A 37 5.444 7.738 4.741 1.00 0.00 O ATOM 532 CB ILE A 37 3.888 7.599 1.830 1.00 0.00 C ATOM 533 CG1 ILE A 37 3.540 8.180 0.460 1.00 0.00 C ATOM 534 CG2 ILE A 37 2.703 7.719 2.800 1.00 0.00 C ATOM 535 CD1 ILE A 37 2.214 7.669 -0.098 1.00 0.00 C ATOM 0 H ILE A 37 6.615 7.766 1.054 1.00 0.00 H new ATOM 0 HA ILE A 37 4.783 9.269 2.818 1.00 0.00 H new ATOM 0 HB ILE A 37 4.119 6.543 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.499 9.267 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.338 7.938 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.833 7.217 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.963 7.254 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.471 8.772 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.030 8.122 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.258 6.585 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.406 7.934 0.584 1.00 0.00 H new ATOM 547 N ALA A 38 6.458 6.457 3.186 1.00 0.00 N ATOM 548 CA ALA A 38 7.227 5.522 3.985 1.00 0.00 C ATOM 549 C ALA A 38 6.410 4.273 4.258 1.00 0.00 C ATOM 550 O ALA A 38 6.875 3.184 3.954 1.00 0.00 O ATOM 551 CB ALA A 38 7.767 6.169 5.253 1.00 0.00 C ATOM 0 H ALA A 38 6.558 6.245 2.193 1.00 0.00 H new ATOM 0 HA ALA A 38 8.106 5.219 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.337 5.434 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.415 7.004 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.936 6.532 5.858 1.00 0.00 H new ATOM 557 N ILE A 39 5.193 4.467 4.773 1.00 0.00 N ATOM 558 CA ILE A 39 4.254 3.438 5.203 1.00 0.00 C ATOM 559 C ILE A 39 4.897 2.307 6.011 1.00 0.00 C ATOM 560 O ILE A 39 5.543 1.409 5.478 1.00 0.00 O ATOM 561 CB ILE A 39 3.429 2.906 4.030 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.629 4.037 3.362 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.524 1.755 4.507 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.475 4.595 4.200 1.00 0.00 C ATOM 0 H ILE A 39 4.818 5.406 4.907 1.00 0.00 H new ATOM 0 HA ILE A 39 3.573 3.932 5.896 1.00 0.00 H new ATOM 0 HB ILE A 39 4.102 2.509 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.312 4.852 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.228 3.669 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.939 1.380 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.140 0.950 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.852 2.119 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.972 5.387 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.765 3.797 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.866 4.999 5.134 1.00 0.00 H new ATOM 576 N ASP A 40 4.619 2.318 7.310 1.00 0.00 N ATOM 577 CA ASP A 40 5.041 1.301 8.250 1.00 0.00 C ATOM 578 C ASP A 40 3.826 0.493 8.657 1.00 0.00 C ATOM 579 O ASP A 40 2.701 0.774 8.238 1.00 0.00 O ATOM 580 CB ASP A 40 5.614 1.950 9.515 1.00 0.00 C ATOM 581 CG ASP A 40 4.507 2.498 10.411 1.00 0.00 C ATOM 582 OD1 ASP A 40 3.623 3.212 9.885 1.00 0.00 O ATOM 583 OD2 ASP A 40 4.485 2.089 11.592 1.00 0.00 O ATOM 0 H ASP A 40 4.075 3.063 7.746 1.00 0.00 H new ATOM 0 HA ASP A 40 5.801 0.676 7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.202 1.217 10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.292 2.757 9.237 1.00 0.00 H new ATOM 588 N LYS A 41 4.078 -0.455 9.553 1.00 0.00 N ATOM 589 CA LYS A 41 3.081 -1.289 10.193 1.00 0.00 C ATOM 590 C LYS A 41 1.913 -0.436 10.674 1.00 0.00 C ATOM 591 O LYS A 41 0.764 -0.775 10.402 1.00 0.00 O ATOM 592 CB LYS A 41 3.741 -2.107 11.312 1.00 0.00 C ATOM 593 CG LYS A 41 2.801 -3.135 11.960 1.00 0.00 C ATOM 594 CD LYS A 41 2.030 -2.562 13.158 1.00 0.00 C ATOM 595 CE LYS A 41 1.057 -3.613 13.705 1.00 0.00 C ATOM 596 NZ LYS A 41 0.284 -3.096 14.852 1.00 0.00 N ATOM 0 H LYS A 41 5.026 -0.668 9.863 1.00 0.00 H new ATOM 0 HA LYS A 41 2.665 -2.001 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.610 -2.626 10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.107 -1.426 12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.091 -3.493 11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.382 -3.997 12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.728 -2.259 13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.482 -1.669 12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.373 -3.922 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.613 -4.500 14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.363 -3.834 15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.936 -2.824 15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.266 -2.265 14.554 1.00 0.00 H new ATOM 610 N LYS A 42 2.184 0.650 11.402 1.00 0.00 N ATOM 611 CA LYS A 42 1.162 1.545 11.882 1.00 0.00 C ATOM 612 C LYS A 42 0.317 2.079 10.726 1.00 0.00 C ATOM 613 O LYS A 42 -0.875 1.801 10.704 1.00 0.00 O ATOM 614 CB LYS A 42 1.813 2.654 12.710 1.00 0.00 C ATOM 615 CG LYS A 42 0.757 3.449 13.463 1.00 0.00 C ATOM 616 CD LYS A 42 1.377 4.436 14.462 1.00 0.00 C ATOM 617 CE LYS A 42 2.361 5.400 13.776 1.00 0.00 C ATOM 618 NZ LYS A 42 2.880 6.424 14.704 1.00 0.00 N ATOM 0 H LYS A 42 3.130 0.923 11.670 1.00 0.00 H new ATOM 0 HA LYS A 42 0.472 1.007 12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.522 2.220 13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.379 3.318 12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.140 3.996 12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.098 2.762 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.586 5.008 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.896 3.883 15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.194 4.832 13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.863 5.890 12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.538 7.050 14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.089 6.985 15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.379 5.960 15.489 1.00 0.00 H new ATOM 632 N SER A 43 0.875 2.849 9.786 1.00 0.00 N ATOM 633 CA SER A 43 0.077 3.424 8.703 1.00 0.00 C ATOM 634 C SER A 43 -0.671 2.334 7.923 1.00 0.00 C ATOM 635 O SER A 43 -1.895 2.390 7.765 1.00 0.00 O ATOM 636 CB SER A 43 0.971 4.243 7.774 1.00 0.00 C ATOM 637 OG SER A 43 1.531 5.341 8.466 1.00 0.00 O ATOM 0 H SER A 43 1.867 3.086 9.754 1.00 0.00 H new ATOM 0 HA SER A 43 -0.672 4.084 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.766 3.613 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.391 4.600 6.923 1.00 0.00 H new ATOM 0 HG SER A 43 2.102 5.854 7.857 1.00 0.00 H new ATOM 643 N ALA A 44 0.083 1.340 7.455 1.00 0.00 N ATOM 644 CA ALA A 44 -0.384 0.140 6.786 1.00 0.00 C ATOM 645 C ALA A 44 -1.642 -0.419 7.445 1.00 0.00 C ATOM 646 O ALA A 44 -2.714 -0.435 6.837 1.00 0.00 O ATOM 647 CB ALA A 44 0.743 -0.888 6.811 1.00 0.00 C ATOM 0 H ALA A 44 1.099 1.359 7.542 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.651 0.381 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.415 -1.800 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.614 -0.486 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.007 -1.114 7.844 1.00 0.00 H new ATOM 653 N HIS A 45 -1.505 -0.870 8.694 1.00 0.00 N ATOM 654 CA HIS A 45 -2.578 -1.512 9.432 1.00 0.00 C ATOM 655 C HIS A 45 -3.549 -0.502 10.057 1.00 0.00 C ATOM 656 O HIS A 45 -4.597 -0.906 10.567 1.00 0.00 O ATOM 657 CB HIS A 45 -2.001 -2.512 10.444 1.00 0.00 C ATOM 658 CG HIS A 45 -1.656 -3.831 9.797 1.00 0.00 C ATOM 659 ND1 HIS A 45 -2.580 -4.818 9.566 1.00 0.00 N ATOM 660 CD2 HIS A 45 -0.467 -4.233 9.230 1.00 0.00 C ATOM 661 CE1 HIS A 45 -1.964 -5.794 8.891 1.00 0.00 C ATOM 662 NE2 HIS A 45 -0.674 -5.503 8.666 1.00 0.00 N ATOM 0 H HIS A 45 -0.635 -0.796 9.220 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.186 -2.079 8.727 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.108 -2.089 10.904 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.723 -2.678 11.243 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.558 -4.809 9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.457 -3.674 9.221 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.446 -6.705 8.567 1.00 0.00 H new ATOM 670 N LYS A 46 -3.264 0.801 9.972 1.00 0.00 N ATOM 671 CA LYS A 46 -4.200 1.834 10.387 1.00 0.00 C ATOM 672 C LYS A 46 -5.287 1.860 9.328 1.00 0.00 C ATOM 673 O LYS A 46 -6.359 1.296 9.552 1.00 0.00 O ATOM 674 CB LYS A 46 -3.487 3.187 10.612 1.00 0.00 C ATOM 675 CG LYS A 46 -4.306 4.481 10.461 1.00 0.00 C ATOM 676 CD LYS A 46 -5.662 4.503 11.173 1.00 0.00 C ATOM 677 CE LYS A 46 -5.505 4.480 12.700 1.00 0.00 C ATOM 678 NZ LYS A 46 -6.803 4.638 13.390 1.00 0.00 N ATOM 0 H LYS A 46 -2.380 1.162 9.614 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.650 1.623 11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.065 3.177 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.650 3.241 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.708 5.312 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.472 4.661 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.213 5.396 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.253 3.644 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.045 3.540 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.831 5.279 13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.654 4.617 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.231 5.547 13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.438 3.861 13.116 1.00 0.00 H new ATOM 692 N ASP A 47 -5.017 2.512 8.198 1.00 0.00 N ATOM 693 CA ASP A 47 -6.019 2.746 7.168 1.00 0.00 C ATOM 694 C ASP A 47 -5.339 3.287 5.907 1.00 0.00 C ATOM 695 O ASP A 47 -5.791 4.256 5.301 1.00 0.00 O ATOM 696 CB ASP A 47 -7.131 3.680 7.698 1.00 0.00 C ATOM 697 CG ASP A 47 -8.445 3.531 6.939 1.00 0.00 C ATOM 698 OD1 ASP A 47 -8.809 2.370 6.633 1.00 0.00 O ATOM 699 OD2 ASP A 47 -9.105 4.569 6.728 1.00 0.00 O ATOM 0 H ASP A 47 -4.097 2.891 7.974 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.505 1.808 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.302 3.470 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.793 4.714 7.629 1.00 0.00 H new ATOM 704 N ALA A 48 -4.211 2.665 5.546 1.00 0.00 N ATOM 705 CA ALA A 48 -3.512 2.926 4.288 1.00 0.00 C ATOM 706 C ALA A 48 -3.900 1.882 3.229 1.00 0.00 C ATOM 707 O ALA A 48 -4.708 2.149 2.342 1.00 0.00 O ATOM 708 CB ALA A 48 -1.996 2.997 4.532 1.00 0.00 C ATOM 0 H ALA A 48 -3.756 1.960 6.126 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.818 3.895 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.484 3.192 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.778 3.800 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.649 2.049 4.944 1.00 0.00 H new ATOM 714 N CYS A 49 -3.300 0.692 3.298 1.00 0.00 N ATOM 715 CA CYS A 49 -3.433 -0.341 2.274 1.00 0.00 C ATOM 716 C CYS A 49 -4.800 -1.024 2.381 1.00 0.00 C ATOM 717 O CYS A 49 -5.571 -1.101 1.421 1.00 0.00 O ATOM 718 CB CYS A 49 -2.316 -1.349 2.417 1.00 0.00 C ATOM 719 SG CYS A 49 -0.681 -0.623 2.776 1.00 0.00 S ATOM 0 H CYS A 49 -2.701 0.417 4.077 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.362 0.121 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.573 -2.046 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.247 -1.929 1.497 1.00 0.00 H new ATOM 724 N LYS A 50 -5.121 -1.492 3.591 1.00 0.00 N ATOM 725 CA LYS A 50 -6.379 -2.144 3.957 1.00 0.00 C ATOM 726 C LYS A 50 -7.545 -1.145 4.026 1.00 0.00 C ATOM 727 O LYS A 50 -8.341 -1.167 4.966 1.00 0.00 O ATOM 728 CB LYS A 50 -6.197 -2.878 5.294 1.00 0.00 C ATOM 729 CG LYS A 50 -5.498 -1.978 6.324 1.00 0.00 C ATOM 730 CD LYS A 50 -6.026 -2.161 7.746 1.00 0.00 C ATOM 731 CE LYS A 50 -7.388 -1.489 7.962 1.00 0.00 C ATOM 732 NZ LYS A 50 -7.554 -1.056 9.363 1.00 0.00 N ATOM 0 H LYS A 50 -4.478 -1.422 4.380 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.635 -2.865 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.169 -3.189 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.610 -3.784 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.428 -2.187 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.623 -0.936 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.112 -3.226 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.306 -1.749 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.481 -0.629 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.185 -2.183 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.497 -0.636 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.455 -1.877 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.827 -0.350 9.597 1.00 0.00 H new ATOM 746 N THR A 51 -7.663 -0.297 3.009 1.00 0.00 N ATOM 747 CA THR A 51 -8.656 0.753 2.896 1.00 0.00 C ATOM 748 C THR A 51 -9.190 0.684 1.476 1.00 0.00 C ATOM 749 O THR A 51 -10.280 0.159 1.246 1.00 0.00 O ATOM 750 CB THR A 51 -8.012 2.088 3.284 1.00 0.00 C ATOM 751 OG1 THR A 51 -7.354 1.867 4.507 1.00 0.00 O ATOM 752 CG2 THR A 51 -9.037 3.212 3.444 1.00 0.00 C ATOM 0 H THR A 51 -7.036 -0.329 2.205 1.00 0.00 H new ATOM 0 HA THR A 51 -9.502 0.639 3.574 1.00 0.00 H new ATOM 0 HB THR A 51 -7.331 2.409 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.016 1.683 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.526 4.134 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.567 3.358 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.750 2.946 4.224 1.00 0.00 H new ATOM 760 N CYS A 52 -8.366 1.088 0.515 1.00 0.00 N ATOM 761 CA CYS A 52 -8.601 0.836 -0.893 1.00 0.00 C ATOM 762 C CYS A 52 -8.964 -0.620 -1.147 1.00 0.00 C ATOM 763 O CYS A 52 -9.950 -0.938 -1.821 1.00 0.00 O ATOM 764 CB CYS A 52 -7.326 1.104 -1.626 1.00 0.00 C ATOM 765 SG CYS A 52 -7.176 2.849 -2.038 1.00 0.00 S ATOM 0 H CYS A 52 -7.507 1.606 0.700 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.421 1.473 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.478 0.797 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.294 0.507 -2.537 1.00 0.00 H new ATOM 770 N HIS A 53 -8.124 -1.522 -0.642 1.00 0.00 N ATOM 771 CA HIS A 53 -8.295 -2.922 -0.946 1.00 0.00 C ATOM 772 C HIS A 53 -9.631 -3.445 -0.383 1.00 0.00 C ATOM 773 O HIS A 53 -10.136 -4.448 -0.882 1.00 0.00 O ATOM 774 CB HIS A 53 -7.101 -3.731 -0.441 1.00 0.00 C ATOM 775 CG HIS A 53 -5.722 -3.428 -0.999 1.00 0.00 C ATOM 776 ND1 HIS A 53 -4.611 -4.107 -0.572 1.00 0.00 N ATOM 777 CD2 HIS A 53 -5.314 -2.557 -1.990 1.00 0.00 C ATOM 778 CE1 HIS A 53 -3.568 -3.651 -1.275 1.00 0.00 C ATOM 779 NE2 HIS A 53 -3.928 -2.708 -2.153 1.00 0.00 N ATOM 0 H HIS A 53 -7.335 -1.304 -0.033 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.334 -3.043 -2.029 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.053 -3.608 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.311 -4.783 -0.633 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -4.584 -4.828 0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.949 -1.880 -2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.555 -4.003 -1.149 1.00 0.00 H new ATOM 787 N LYS A 54 -10.232 -2.784 0.622 1.00 0.00 N ATOM 788 CA LYS A 54 -11.577 -3.136 1.074 1.00 0.00 C ATOM 789 C LYS A 54 -12.596 -2.871 -0.031 1.00 0.00 C ATOM 790 O LYS A 54 -13.477 -3.693 -0.263 1.00 0.00 O ATOM 791 CB LYS A 54 -11.992 -2.332 2.311 1.00 0.00 C ATOM 792 CG LYS A 54 -10.973 -2.435 3.447 1.00 0.00 C ATOM 793 CD LYS A 54 -11.553 -1.892 4.758 1.00 0.00 C ATOM 794 CE LYS A 54 -11.673 -0.357 4.793 1.00 0.00 C ATOM 795 NZ LYS A 54 -12.808 0.116 5.608 1.00 0.00 N ATOM 0 H LYS A 54 -9.806 -2.009 1.130 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.556 -4.196 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.118 -1.285 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.960 -2.687 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.676 -3.475 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.074 -1.878 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.539 -2.328 4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.923 -2.217 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.749 0.065 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.784 0.016 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.837 1.155 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.696 -0.260 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.693 -0.213 6.588 1.00 0.00 H new ATOM 809 N SER A 55 -12.482 -1.708 -0.683 1.00 0.00 N ATOM 810 CA SER A 55 -13.387 -1.306 -1.751 1.00 0.00 C ATOM 811 C SER A 55 -13.268 -2.311 -2.895 1.00 0.00 C ATOM 812 O SER A 55 -14.265 -2.802 -3.417 1.00 0.00 O ATOM 813 CB SER A 55 -13.052 0.123 -2.205 1.00 0.00 C ATOM 814 OG SER A 55 -14.079 0.626 -3.038 1.00 0.00 O ATOM 0 H SER A 55 -11.755 -1.022 -0.480 1.00 0.00 H new ATOM 0 HA SER A 55 -14.419 -1.302 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.930 0.769 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.103 0.129 -2.742 1.00 0.00 H new ATOM 0 HG SER A 55 -13.855 1.538 -3.319 1.00 0.00 H new ATOM 820 N ASN A 56 -12.023 -2.642 -3.249 1.00 0.00 N ATOM 821 CA ASN A 56 -11.743 -3.661 -4.256 1.00 0.00 C ATOM 822 C ASN A 56 -12.309 -5.019 -3.828 1.00 0.00 C ATOM 823 O ASN A 56 -12.865 -5.738 -4.651 1.00 0.00 O ATOM 824 CB ASN A 56 -10.238 -3.740 -4.529 1.00 0.00 C ATOM 825 CG ASN A 56 -9.737 -2.500 -5.264 1.00 0.00 C ATOM 826 OD1 ASN A 56 -9.708 -2.481 -6.488 1.00 0.00 O ATOM 827 ND2 ASN A 56 -9.349 -1.442 -4.552 1.00 0.00 N ATOM 0 H ASN A 56 -11.189 -2.213 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.238 -3.379 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.701 -3.847 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.021 -4.628 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.022 -0.600 -5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.379 -1.474 -3.533 1.00 0.00 H new ATOM 834 N ASN A 57 -12.173 -5.349 -2.539 1.00 0.00 N ATOM 835 CA ASN A 57 -12.776 -6.500 -1.876 1.00 0.00 C ATOM 836 C ASN A 57 -12.136 -7.816 -2.321 1.00 0.00 C ATOM 837 O ASN A 57 -12.634 -8.483 -3.223 1.00 0.00 O ATOM 838 CB ASN A 57 -14.305 -6.518 -2.036 1.00 0.00 C ATOM 839 CG ASN A 57 -14.925 -7.592 -1.148 1.00 0.00 C ATOM 840 OD1 ASN A 57 -15.478 -8.577 -1.624 1.00 0.00 O ATOM 841 ND2 ASN A 57 -14.840 -7.413 0.168 1.00 0.00 N ATOM 0 H ASN A 57 -11.609 -4.788 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.572 -6.396 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.715 -5.542 -1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.565 -6.705 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.240 -8.103 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.375 -6.585 0.541 1.00 0.00 H new ATOM 848 N GLY A 58 -11.033 -8.195 -1.666 1.00 0.00 N ATOM 849 CA GLY A 58 -10.313 -9.430 -1.961 1.00 0.00 C ATOM 850 C GLY A 58 -9.883 -10.154 -0.683 1.00 0.00 C ATOM 851 O GLY A 58 -10.561 -11.086 -0.252 1.00 0.00 O ATOM 0 H GLY A 58 -10.616 -7.648 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.947 -10.088 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.434 -9.203 -2.564 1.00 0.00 H new ATOM 855 N PRO A 59 -8.743 -9.774 -0.081 1.00 0.00 N ATOM 856 CA PRO A 59 -8.182 -10.494 1.050 1.00 0.00 C ATOM 857 C PRO A 59 -9.045 -10.346 2.298 1.00 0.00 C ATOM 858 O PRO A 59 -9.853 -9.426 2.408 1.00 0.00 O ATOM 859 CB PRO A 59 -6.767 -9.937 1.235 1.00 0.00 C ATOM 860 CG PRO A 59 -6.885 -8.517 0.680 1.00 0.00 C ATOM 861 CD PRO A 59 -7.873 -8.681 -0.477 1.00 0.00 C ATOM 0 HA PRO A 59 -8.150 -11.568 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.466 -9.938 2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.027 -10.524 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.255 -7.819 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.923 -8.136 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.441 -7.766 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.355 -8.908 -1.409 1.00 0.00 H new ATOM 869 N THR A 60 -8.900 -11.318 3.204 1.00 0.00 N ATOM 870 CA THR A 60 -9.985 -11.728 4.085 1.00 0.00 C ATOM 871 C THR A 60 -9.555 -11.747 5.556 1.00 0.00 C ATOM 872 O THR A 60 -10.326 -11.362 6.431 1.00 0.00 O ATOM 873 CB THR A 60 -10.536 -13.067 3.551 1.00 0.00 C ATOM 874 OG1 THR A 60 -11.939 -13.022 3.511 1.00 0.00 O ATOM 875 CG2 THR A 60 -10.062 -14.319 4.295 1.00 0.00 C ATOM 0 H THR A 60 -8.032 -11.836 3.343 1.00 0.00 H new ATOM 0 HA THR A 60 -10.797 -11.001 4.074 1.00 0.00 H new ATOM 0 HB THR A 60 -10.121 -13.170 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.284 -13.873 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.508 -15.203 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.976 -14.388 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.365 -14.258 5.340 1.00 0.00 H new ATOM 883 N LYS A 61 -8.315 -12.169 5.829 1.00 0.00 N ATOM 884 CA LYS A 61 -7.693 -12.015 7.138 1.00 0.00 C ATOM 885 C LYS A 61 -6.289 -11.469 6.905 1.00 0.00 C ATOM 886 O LYS A 61 -6.058 -10.276 7.074 1.00 0.00 O ATOM 887 CB LYS A 61 -7.787 -13.312 7.970 1.00 0.00 C ATOM 888 CG LYS A 61 -7.222 -14.595 7.334 1.00 0.00 C ATOM 889 CD LYS A 61 -7.772 -15.843 8.039 1.00 0.00 C ATOM 890 CE LYS A 61 -7.180 -17.110 7.401 1.00 0.00 C ATOM 891 NZ LYS A 61 -7.688 -18.347 8.030 1.00 0.00 N ATOM 0 H LYS A 61 -7.717 -12.628 5.142 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.223 -11.297 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.269 -13.146 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.836 -13.486 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.481 -14.626 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.134 -14.587 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.525 -15.810 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.859 -15.863 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.417 -17.123 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.094 -17.082 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.260 -19.173 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.440 -18.350 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.722 -18.389 7.928 1.00 0.00 H new ATOM 905 N CYS A 62 -5.397 -12.328 6.410 1.00 0.00 N ATOM 906 CA CYS A 62 -4.132 -11.969 5.799 1.00 0.00 C ATOM 907 C CYS A 62 -4.203 -12.499 4.367 1.00 0.00 C ATOM 908 O CYS A 62 -5.298 -12.800 3.886 1.00 0.00 O ATOM 909 CB CYS A 62 -2.961 -12.547 6.576 1.00 0.00 C ATOM 910 SG CYS A 62 -3.149 -12.484 8.386 1.00 0.00 S ATOM 0 H CYS A 62 -5.551 -13.336 6.429 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.968 -10.891 5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.818 -13.585 6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.056 -12.007 6.299 1.00 0.00 H new ATOM 915 N GLY A 63 -3.054 -12.646 3.703 1.00 0.00 N ATOM 916 CA GLY A 63 -2.987 -13.232 2.372 1.00 0.00 C ATOM 917 C GLY A 63 -3.417 -12.208 1.329 1.00 0.00 C ATOM 918 O GLY A 63 -4.288 -12.467 0.505 1.00 0.00 O ATOM 0 H GLY A 63 -2.148 -12.361 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.971 -13.569 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.631 -14.110 2.319 1.00 0.00 H new ATOM 922 N GLY A 64 -2.785 -11.034 1.393 1.00 0.00 N ATOM 923 CA GLY A 64 -2.970 -9.941 0.452 1.00 0.00 C ATOM 924 C GLY A 64 -1.614 -9.351 0.076 1.00 0.00 C ATOM 925 O GLY A 64 -1.289 -9.216 -1.098 1.00 0.00 O ATOM 0 H GLY A 64 -2.110 -10.817 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.481 -10.300 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.603 -9.171 0.894 1.00 0.00 H new ATOM 929 N CYS A 65 -0.837 -8.982 1.097 1.00 0.00 N ATOM 930 CA CYS A 65 0.334 -8.124 0.956 1.00 0.00 C ATOM 931 C CYS A 65 1.602 -8.865 1.400 1.00 0.00 C ATOM 932 O CYS A 65 2.635 -8.796 0.741 1.00 0.00 O ATOM 933 CB CYS A 65 0.081 -6.868 1.755 1.00 0.00 C ATOM 934 SG CYS A 65 -1.617 -6.254 1.424 1.00 0.00 S ATOM 0 H CYS A 65 -1.009 -9.277 2.058 1.00 0.00 H new ATOM 0 HA CYS A 65 0.498 -7.851 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.203 -7.072 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.812 -6.104 1.491 1.00 0.00 H new ATOM 939 N HIS A 66 1.528 -9.591 2.520 1.00 0.00 N ATOM 940 CA HIS A 66 2.636 -10.398 3.011 1.00 0.00 C ATOM 941 C HIS A 66 2.757 -11.690 2.207 1.00 0.00 C ATOM 942 O HIS A 66 1.935 -12.591 2.372 1.00 0.00 O ATOM 943 CB HIS A 66 2.428 -10.738 4.490 1.00 0.00 C ATOM 944 CG HIS A 66 2.421 -9.525 5.369 1.00 0.00 C ATOM 945 ND1 HIS A 66 3.453 -8.636 5.513 1.00 0.00 N ATOM 946 CD2 HIS A 66 1.365 -9.047 6.085 1.00 0.00 C ATOM 947 CE1 HIS A 66 3.023 -7.647 6.316 1.00 0.00 C ATOM 948 NE2 HIS A 66 1.748 -7.850 6.679 1.00 0.00 N ATOM 0 H HIS A 66 0.695 -9.632 3.108 1.00 0.00 H new ATOM 0 HA HIS A 66 3.554 -9.821 2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.484 -11.271 4.606 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.218 -11.414 4.817 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.378 -8.711 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.397 -9.517 6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.623 -6.804 6.626 1.00 0.00 H new ATOM 956 N ILE A 67 3.805 -11.807 1.394 1.00 0.00 N ATOM 957 CA ILE A 67 4.113 -13.029 0.670 1.00 0.00 C ATOM 958 C ILE A 67 4.760 -14.029 1.635 1.00 0.00 C ATOM 959 O ILE A 67 5.972 -14.237 1.600 1.00 0.00 O ATOM 960 CB ILE A 67 5.008 -12.698 -0.543 1.00 0.00 C ATOM 961 CG1 ILE A 67 4.437 -11.557 -1.409 1.00 0.00 C ATOM 962 CG2 ILE A 67 5.248 -13.946 -1.410 1.00 0.00 C ATOM 963 CD1 ILE A 67 3.016 -11.807 -1.930 1.00 0.00 C ATOM 0 H ILE A 67 4.466 -11.049 1.221 1.00 0.00 H new ATOM 0 HA ILE A 67 3.207 -13.491 0.278 1.00 0.00 H new ATOM 0 HB ILE A 67 5.960 -12.356 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.440 -10.637 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.100 -11.396 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.882 -13.684 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.740 -14.714 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.293 -14.325 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.693 -10.955 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.007 -12.707 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.337 -11.936 -1.087 1.00 0.00 H new ATOM 975 N LYS A 68 3.962 -14.653 2.505 1.00 0.00 N ATOM 976 CA LYS A 68 4.416 -15.752 3.339 1.00 0.00 C ATOM 977 C LYS A 68 3.210 -16.598 3.723 1.00 0.00 C ATOM 978 O LYS A 68 2.161 -15.992 4.023 1.00 0.00 O ATOM 979 CB LYS A 68 5.167 -15.215 4.569 1.00 0.00 C ATOM 980 CG LYS A 68 5.998 -16.293 5.281 1.00 0.00 C ATOM 981 CD LYS A 68 5.216 -17.083 6.346 1.00 0.00 C ATOM 982 CE LYS A 68 5.547 -18.585 6.293 1.00 0.00 C ATOM 983 NZ LYS A 68 4.744 -19.279 5.266 1.00 0.00 N ATOM 984 OXT LYS A 68 3.374 -17.839 3.741 1.00 0.00 O ATOM 0 H LYS A 68 2.983 -14.405 2.646 1.00 0.00 H new ATOM 0 HA LYS A 68 5.120 -16.380 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.824 -14.402 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.448 -14.795 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.384 -16.990 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.859 -15.821 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.452 -16.692 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.146 -16.940 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.607 -18.718 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.360 -19.035 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.144 -19.996 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.144 -18.589 4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.378 -19.741 4.583 1.00 0.00 H new TER 998 LYS A 68 HETATM 999 FE HEC A 69 4.881 7.373 -4.348 1.00 0.00 FE HETATM 1000 CHA HEC A 69 7.785 7.110 -2.569 1.00 0.00 C HETATM 1001 CHB HEC A 69 6.254 9.925 -6.154 1.00 0.00 C HETATM 1002 CHC HEC A 69 2.303 7.103 -6.490 1.00 0.00 C HETATM 1003 CHD HEC A 69 3.335 5.257 -2.076 1.00 0.00 C HETATM 1004 NA HEC A 69 6.644 8.366 -4.321 1.00 0.00 N HETATM 1005 C1A HEC A 69 7.715 8.042 -3.556 1.00 0.00 C HETATM 1006 C2A HEC A 69 8.836 8.852 -3.969 1.00 0.00 C HETATM 1007 C3A HEC A 69 8.342 9.775 -4.856 1.00 0.00 C HETATM 1008 C4A HEC A 69 6.989 9.372 -5.153 1.00 0.00 C HETATM 1009 CMA HEC A 69 9.115 10.894 -5.516 1.00 0.00 C HETATM 1010 CAA HEC A 69 10.294 8.541 -3.717 1.00 0.00 C HETATM 1011 CBA HEC A 69 10.731 7.321 -4.541 1.00 0.00 C HETATM 1012 CGA HEC A 69 12.243 7.087 -4.575 1.00 0.00 C HETATM 1013 O1A HEC A 69 12.983 7.923 -4.013 1.00 0.00 O HETATM 1014 O2A HEC A 69 12.627 6.062 -5.189 1.00 0.00 O HETATM 1015 NB HEC A 69 4.409 8.297 -6.027 1.00 0.00 N HETATM 1016 C1B HEC A 69 5.076 9.356 -6.568 1.00 0.00 C HETATM 1017 C2B HEC A 69 4.378 9.772 -7.758 1.00 0.00 C HETATM 1018 C3B HEC A 69 3.239 9.009 -7.842 1.00 0.00 C HETATM 1019 C4B HEC A 69 3.299 8.030 -6.769 1.00 0.00 C HETATM 1020 CMB HEC A 69 4.812 10.831 -8.752 1.00 0.00 C HETATM 1021 CAB HEC A 69 2.005 9.399 -8.626 1.00 0.00 C HETATM 1022 CBB HEC A 69 2.227 9.766 -10.102 1.00 0.00 C HETATM 1023 NC HEC A 69 3.175 6.345 -4.309 1.00 0.00 N HETATM 1024 C1C HEC A 69 2.272 6.361 -5.319 1.00 0.00 C HETATM 1025 C2C HEC A 69 1.153 5.535 -4.937 1.00 0.00 C HETATM 1026 C3C HEC A 69 1.392 5.074 -3.658 1.00 0.00 C HETATM 1027 C4C HEC A 69 2.703 5.567 -3.277 1.00 0.00 C HETATM 1028 CMC HEC A 69 -0.098 5.356 -5.766 1.00 0.00 C HETATM 1029 CAC HEC A 69 0.416 4.320 -2.762 1.00 0.00 C HETATM 1030 CBC HEC A 69 0.124 2.882 -3.199 1.00 0.00 C HETATM 1031 ND HEC A 69 5.423 6.473 -2.603 1.00 0.00 N HETATM 1032 C1D HEC A 69 4.634 5.669 -1.833 1.00 0.00 C HETATM 1033 C2D HEC A 69 5.432 5.216 -0.710 1.00 0.00 C HETATM 1034 C3D HEC A 69 6.712 5.686 -0.907 1.00 0.00 C HETATM 1035 C4D HEC A 69 6.676 6.485 -2.098 1.00 0.00 C HETATM 1036 CMD HEC A 69 4.999 4.240 0.356 1.00 0.00 C HETATM 1037 CAD HEC A 69 7.981 5.284 -0.178 1.00 0.00 C HETATM 1038 CBD HEC A 69 8.750 6.365 0.589 1.00 0.00 C HETATM 1039 CGD HEC A 69 10.014 5.861 1.288 1.00 0.00 C HETATM 1040 O1D HEC A 69 10.367 6.475 2.325 1.00 0.00 O HETATM 1041 O2D HEC A 69 10.607 4.889 0.781 1.00 0.00 O HETATM 0 HMD3 HEC A 69 4.127 4.634 0.878 1.00 0.00 H new HETATM 0 HMD2 HEC A 69 4.745 3.286 -0.106 1.00 0.00 H new HETATM 0 HMD1 HEC A 69 5.812 4.094 1.067 1.00 0.00 H new HETATM 0 HMC3 HEC A 69 -0.580 6.323 -5.911 1.00 0.00 H new HETATM 0 HMC2 HEC A 69 0.165 4.933 -6.735 1.00 0.00 H new HETATM 0 HMC1 HEC A 69 -0.783 4.683 -5.250 1.00 0.00 H new HETATM 0 HMB3 HEC A 69 4.907 11.790 -8.243 1.00 0.00 H new HETATM 0 HMB2 HEC A 69 5.773 10.552 -9.184 1.00 0.00 H new HETATM 0 HMB1 HEC A 69 4.068 10.913 -9.545 1.00 0.00 H new HETATM 0 HMA3 HEC A 69 9.522 11.556 -4.751 1.00 0.00 H new HETATM 0 HMA2 HEC A 69 9.931 10.475 -6.104 1.00 0.00 H new HETATM 0 HMA1 HEC A 69 8.450 11.459 -6.169 1.00 0.00 H new HETATM 0 HBD2 HEC A 69 9.025 7.160 -0.104 1.00 0.00 H new HETATM 0 HBD1 HEC A 69 8.088 6.806 1.334 1.00 0.00 H new HETATM 0 HBC3 HEC A 69 -0.308 2.886 -4.200 1.00 0.00 H new HETATM 0 HBC2 HEC A 69 1.051 2.309 -3.206 1.00 0.00 H new HETATM 0 HBC1 HEC A 69 -0.579 2.426 -2.502 1.00 0.00 H new HETATM 0 HBB3 HEC A 69 2.906 10.616 -10.167 1.00 0.00 H new HETATM 0 HBB2 HEC A 69 2.660 8.915 -10.627 1.00 0.00 H new HETATM 0 HBB1 HEC A 69 1.273 10.027 -10.559 1.00 0.00 H new HETATM 0 HBA2 HEC A 69 10.248 6.432 -4.135 1.00 0.00 H new HETATM 0 HBA1 HEC A 69 10.372 7.441 -5.563 1.00 0.00 H new HETATM 0 HAD2 HEC A 69 7.723 4.495 0.528 1.00 0.00 H new HETATM 0 HAD1 HEC A 69 8.661 4.848 -0.910 1.00 0.00 H new HETATM 0 HAA2 HEC A 69 10.907 9.403 -3.979 1.00 0.00 H new HETATM 0 HAA1 HEC A 69 10.453 8.347 -2.656 1.00 0.00 H new HETATM 0 HHD HEC A 69 2.801 4.683 -1.318 1.00 0.00 H new HETATM 0 HHC HEC A 69 1.511 6.952 -7.224 1.00 0.00 H new HETATM 0 HHB HEC A 69 6.607 10.837 -6.636 1.00 0.00 H new HETATM 0 HHA HEC A 69 8.757 6.858 -2.145 1.00 0.00 H new HETATM 0 H2A HEC A 69 13.605 6.013 -5.164 1.00 0.00 H new HETATM 1074 FE HEC A 70 -2.639 -1.853 -3.406 1.00 0.00 FE HETATM 1075 CHA HEC A 70 -3.160 -4.411 -5.626 1.00 0.00 C HETATM 1076 CHB HEC A 70 -0.099 -3.612 -1.909 1.00 0.00 C HETATM 1077 CHC HEC A 70 -2.306 0.669 -1.117 1.00 0.00 C HETATM 1078 CHD HEC A 70 -5.256 -0.094 -4.869 1.00 0.00 C HETATM 1079 NA HEC A 70 -1.778 -3.645 -3.715 1.00 0.00 N HETATM 1080 C1A HEC A 70 -2.158 -4.534 -4.687 1.00 0.00 C HETATM 1081 C2A HEC A 70 -1.291 -5.688 -4.593 1.00 0.00 C HETATM 1082 C3A HEC A 70 -0.441 -5.475 -3.534 1.00 0.00 C HETATM 1083 C4A HEC A 70 -0.737 -4.168 -3.002 1.00 0.00 C HETATM 1084 CMA HEC A 70 0.587 -6.448 -3.006 1.00 0.00 C HETATM 1085 CAA HEC A 70 -1.326 -6.919 -5.472 1.00 0.00 C HETATM 1086 CBA HEC A 70 -2.359 -7.953 -5.012 1.00 0.00 C HETATM 1087 CGA HEC A 70 -2.304 -9.229 -5.860 1.00 0.00 C HETATM 1088 O1A HEC A 70 -1.221 -9.856 -5.876 1.00 0.00 O HETATM 1089 O2A HEC A 70 -3.340 -9.551 -6.484 1.00 0.00 O HETATM 1090 NB HEC A 70 -1.427 -1.524 -1.867 1.00 0.00 N HETATM 1091 C1B HEC A 70 -0.462 -2.376 -1.418 1.00 0.00 C HETATM 1092 C2B HEC A 70 0.109 -1.820 -0.218 1.00 0.00 C HETATM 1093 C3B HEC A 70 -0.535 -0.629 0.027 1.00 0.00 C HETATM 1094 C4B HEC A 70 -1.488 -0.437 -1.043 1.00 0.00 C HETATM 1095 CMB HEC A 70 1.107 -2.521 0.674 1.00 0.00 C HETATM 1096 CAB HEC A 70 -0.355 0.273 1.235 1.00 0.00 C HETATM 1097 CBB HEC A 70 1.001 0.972 1.252 1.00 0.00 C HETATM 1098 NC HEC A 70 -3.580 -0.050 -3.085 1.00 0.00 N HETATM 1099 C1C HEC A 70 -3.260 0.814 -2.092 1.00 0.00 C HETATM 1100 C2C HEC A 70 -4.102 1.983 -2.209 1.00 0.00 C HETATM 1101 C3C HEC A 70 -4.975 1.757 -3.249 1.00 0.00 C HETATM 1102 C4C HEC A 70 -4.605 0.473 -3.811 1.00 0.00 C HETATM 1103 CMC HEC A 70 -4.038 3.206 -1.321 1.00 0.00 C HETATM 1104 CAC HEC A 70 -6.249 2.550 -3.559 1.00 0.00 C HETATM 1105 CBC HEC A 70 -6.080 3.848 -4.339 1.00 0.00 C HETATM 1106 ND HEC A 70 -3.952 -2.180 -4.943 1.00 0.00 N HETATM 1107 C1D HEC A 70 -4.916 -1.323 -5.376 1.00 0.00 C HETATM 1108 C2D HEC A 70 -5.583 -1.916 -6.511 1.00 0.00 C HETATM 1109 C3D HEC A 70 -5.013 -3.151 -6.709 1.00 0.00 C HETATM 1110 C4D HEC A 70 -3.963 -3.298 -5.723 1.00 0.00 C HETATM 1111 CMD HEC A 70 -6.661 -1.284 -7.367 1.00 0.00 C HETATM 1112 CAD HEC A 70 -5.467 -4.205 -7.703 1.00 0.00 C HETATM 1113 CBD HEC A 70 -4.502 -4.465 -8.873 1.00 0.00 C HETATM 1114 CGD HEC A 70 -4.912 -3.763 -10.174 1.00 0.00 C HETATM 1115 O1D HEC A 70 -5.295 -2.575 -10.123 1.00 0.00 O HETATM 1116 O2D HEC A 70 -4.810 -4.389 -11.256 1.00 0.00 O HETATM 0 HMD3 HEC A 70 -7.522 -1.039 -6.745 1.00 0.00 H new HETATM 0 HMD2 HEC A 70 -6.274 -0.374 -7.826 1.00 0.00 H new HETATM 0 HMD1 HEC A 70 -6.963 -1.983 -8.146 1.00 0.00 H new HETATM 0 HMC3 HEC A 70 -4.230 2.916 -0.288 1.00 0.00 H new HETATM 0 HMC2 HEC A 70 -3.048 3.657 -1.393 1.00 0.00 H new HETATM 0 HMC1 HEC A 70 -4.790 3.928 -1.641 1.00 0.00 H new HETATM 0 HMB3 HEC A 70 0.669 -3.443 1.056 1.00 0.00 H new HETATM 0 HMB2 HEC A 70 2.005 -2.756 0.102 1.00 0.00 H new HETATM 0 HMB1 HEC A 70 1.369 -1.871 1.509 1.00 0.00 H new HETATM 0 HMA3 HEC A 70 0.090 -7.363 -2.683 1.00 0.00 H new HETATM 0 HMA2 HEC A 70 1.303 -6.683 -3.793 1.00 0.00 H new HETATM 0 HMA1 HEC A 70 1.110 -6.001 -2.161 1.00 0.00 H new HETATM 0 HBD2 HEC A 70 -3.503 -4.133 -8.590 1.00 0.00 H new HETATM 0 HBD1 HEC A 70 -4.442 -5.538 -9.052 1.00 0.00 H new HETATM 0 HBC3 HEC A 70 -5.439 4.529 -3.778 1.00 0.00 H new HETATM 0 HBC2 HEC A 70 -5.624 3.635 -5.306 1.00 0.00 H new HETATM 0 HBC1 HEC A 70 -7.055 4.310 -4.492 1.00 0.00 H new HETATM 0 HBB3 HEC A 70 1.795 0.225 1.272 1.00 0.00 H new HETATM 0 HBB2 HEC A 70 1.104 1.587 0.358 1.00 0.00 H new HETATM 0 HBB1 HEC A 70 1.074 1.603 2.138 1.00 0.00 H new HETATM 0 HBA2 HEC A 70 -2.181 -8.204 -3.966 1.00 0.00 H new HETATM 0 HBA1 HEC A 70 -3.358 -7.520 -5.071 1.00 0.00 H new HETATM 0 HAD2 HEC A 70 -5.624 -5.142 -7.168 1.00 0.00 H new HETATM 0 HAD1 HEC A 70 -6.433 -3.905 -8.110 1.00 0.00 H new HETATM 0 HAA2 HEC A 70 -1.549 -6.621 -6.496 1.00 0.00 H new HETATM 0 HAA1 HEC A 70 -0.338 -7.380 -5.482 1.00 0.00 H new HETATM 0 HHD HEC A 70 -6.079 0.452 -5.330 1.00 0.00 H new HETATM 0 HHC HEC A 70 -2.191 1.458 -0.374 1.00 0.00 H new HETATM 0 HHB HEC A 70 0.708 -4.162 -1.425 1.00 0.00 H new HETATM 0 HHA HEC A 70 -3.323 -5.233 -6.323 1.00 0.00 H new HETATM 0 H2D HEC A 70 -5.702 -4.640 -11.574 1.00 0.00 H new HETATM 0 H2A HEC A 70 -3.174 -10.373 -6.992 1.00 0.00 H new HETATM 1149 FE HEC A 71 0.588 -6.710 7.743 1.00 0.00 FE HETATM 1150 CHA HEC A 71 3.377 -4.901 8.667 1.00 0.00 C HETATM 1151 CHB HEC A 71 0.862 -8.631 10.544 1.00 0.00 C HETATM 1152 CHC HEC A 71 -2.089 -8.610 6.688 1.00 0.00 C HETATM 1153 CHD HEC A 71 0.316 -4.791 4.894 1.00 0.00 C HETATM 1154 NA HEC A 71 1.859 -6.751 9.299 1.00 0.00 N HETATM 1155 C1A HEC A 71 2.946 -5.926 9.482 1.00 0.00 C HETATM 1156 C2A HEC A 71 3.626 -6.363 10.689 1.00 0.00 C HETATM 1157 C3A HEC A 71 2.837 -7.332 11.258 1.00 0.00 C HETATM 1158 C4A HEC A 71 1.772 -7.620 10.332 1.00 0.00 C HETATM 1159 CMA HEC A 71 3.059 -8.004 12.596 1.00 0.00 C HETATM 1160 CAA HEC A 71 5.030 -6.020 11.161 1.00 0.00 C HETATM 1161 CBA HEC A 71 6.009 -7.156 10.836 1.00 0.00 C HETATM 1162 CGA HEC A 71 7.393 -7.051 11.479 1.00 0.00 C HETATM 1163 O1A HEC A 71 8.387 -7.174 10.726 1.00 0.00 O HETATM 1164 O2A HEC A 71 7.450 -7.052 12.732 1.00 0.00 O HETATM 1165 NB HEC A 71 -0.395 -8.336 8.451 1.00 0.00 N HETATM 1166 C1B HEC A 71 -0.118 -8.939 9.631 1.00 0.00 C HETATM 1167 C2B HEC A 71 -1.039 -10.034 9.811 1.00 0.00 C HETATM 1168 C3B HEC A 71 -1.931 -9.995 8.766 1.00 0.00 C HETATM 1169 C4B HEC A 71 -1.471 -8.949 7.874 1.00 0.00 C HETATM 1170 CMB HEC A 71 -1.004 -11.044 10.936 1.00 0.00 C HETATM 1171 CAB HEC A 71 -3.275 -10.704 8.708 1.00 0.00 C HETATM 1172 CBB HEC A 71 -4.141 -10.487 9.954 1.00 0.00 C HETATM 1173 NC HEC A 71 -0.663 -6.686 6.139 1.00 0.00 N HETATM 1174 C1C HEC A 71 -1.682 -7.547 5.917 1.00 0.00 C HETATM 1175 C2C HEC A 71 -2.319 -7.202 4.668 1.00 0.00 C HETATM 1176 C3C HEC A 71 -1.686 -6.079 4.186 1.00 0.00 C HETATM 1177 C4C HEC A 71 -0.598 -5.796 5.102 1.00 0.00 C HETATM 1178 CMC HEC A 71 -3.453 -7.965 4.020 1.00 0.00 C HETATM 1179 CAC HEC A 71 -2.025 -5.305 2.917 1.00 0.00 C HETATM 1180 CBC HEC A 71 -3.475 -4.810 2.855 1.00 0.00 C HETATM 1181 ND HEC A 71 1.622 -5.126 6.958 1.00 0.00 N HETATM 1182 C1D HEC A 71 1.330 -4.524 5.774 1.00 0.00 C HETATM 1183 C2D HEC A 71 2.302 -3.489 5.533 1.00 0.00 C HETATM 1184 C3D HEC A 71 3.181 -3.504 6.591 1.00 0.00 C HETATM 1185 C4D HEC A 71 2.735 -4.545 7.497 1.00 0.00 C HETATM 1186 CMD HEC A 71 2.319 -2.561 4.337 1.00 0.00 C HETATM 1187 CAD HEC A 71 4.320 -2.531 6.805 1.00 0.00 C HETATM 1188 CBD HEC A 71 5.726 -3.127 6.963 1.00 0.00 C HETATM 1189 CGD HEC A 71 6.297 -2.891 8.370 1.00 0.00 C HETATM 1190 O1D HEC A 71 6.272 -1.730 8.838 1.00 0.00 O HETATM 1191 O2D HEC A 71 6.641 -3.910 9.006 1.00 0.00 O HETATM 0 HMD3 HEC A 71 2.410 -3.147 3.423 1.00 0.00 H new HETATM 0 HMD2 HEC A 71 1.393 -1.986 4.309 1.00 0.00 H new HETATM 0 HMD1 HEC A 71 3.166 -1.880 4.417 1.00 0.00 H new HETATM 0 HMC3 HEC A 71 -3.133 -8.987 3.814 1.00 0.00 H new HETATM 0 HMC2 HEC A 71 -4.311 -7.982 4.692 1.00 0.00 H new HETATM 0 HMC1 HEC A 71 -3.733 -7.477 3.086 1.00 0.00 H new HETATM 0 HMB3 HEC A 71 -0.054 -11.578 10.916 1.00 0.00 H new HETATM 0 HMB2 HEC A 71 -1.111 -10.529 11.891 1.00 0.00 H new HETATM 0 HMB1 HEC A 71 -1.822 -11.754 10.813 1.00 0.00 H new HETATM 0 HMA3 HEC A 71 4.023 -8.513 12.592 1.00 0.00 H new HETATM 0 HMA2 HEC A 71 3.048 -7.253 13.386 1.00 0.00 H new HETATM 0 HMA1 HEC A 71 2.266 -8.730 12.775 1.00 0.00 H new HETATM 0 HBD2 HEC A 71 5.691 -4.198 6.761 1.00 0.00 H new HETATM 0 HBD1 HEC A 71 6.392 -2.685 6.222 1.00 0.00 H new HETATM 0 HBC3 HEC A 71 -4.153 -5.662 2.901 1.00 0.00 H new HETATM 0 HBC2 HEC A 71 -3.669 -4.146 3.697 1.00 0.00 H new HETATM 0 HBC1 HEC A 71 -3.635 -4.269 1.922 1.00 0.00 H new HETATM 0 HBB3 HEC A 71 -3.615 -10.861 10.832 1.00 0.00 H new HETATM 0 HBB2 HEC A 71 -4.341 -9.423 10.077 1.00 0.00 H new HETATM 0 HBB1 HEC A 71 -5.083 -11.023 9.840 1.00 0.00 H new HETATM 0 HBA2 HEC A 71 5.557 -8.098 11.145 1.00 0.00 H new HETATM 0 HBA1 HEC A 71 6.135 -7.202 9.754 1.00 0.00 H new HETATM 0 HAD2 HEC A 71 4.338 -1.840 5.962 1.00 0.00 H new HETATM 0 HAD1 HEC A 71 4.100 -1.942 7.695 1.00 0.00 H new HETATM 0 HAA2 HEC A 71 5.364 -5.099 10.683 1.00 0.00 H new HETATM 0 HAA1 HEC A 71 5.022 -5.837 12.236 1.00 0.00 H new HETATM 0 HHD HEC A 71 0.230 -4.183 3.993 1.00 0.00 H new HETATM 0 HHC HEC A 71 -2.934 -9.209 6.349 1.00 0.00 H new HETATM 0 HHB HEC A 71 0.921 -9.207 11.468 1.00 0.00 H new HETATM 0 HHA HEC A 71 4.267 -4.345 8.960 1.00 0.00 H new HETATM 0 H2D HEC A 71 7.108 -3.642 9.825 1.00 0.00 H new HETATM 0 H2A HEC A 71 6.927 -7.803 13.083 1.00 0.00 H new