USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 71:sc= 1.02 USER MOD Set 1.2: A 130 HEC O2D : rot 27:sc= 1.22 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 153 HEC O2D : rot 166:sc= 0.341 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.2: A 14 THR OG1 : rot -39:sc= 1.16 USER MOD Set 4.1: A 1 ALA N :NH3+ 149:sc= -0.576 (180deg=0.0915!) USER MOD Set 4.2: A 130 HEC O2A : rot -92:sc= 0.514 USER MOD Single : A 8 ASN : amide:sc= 0.966 K(o=0.97,f=-6.3!) USER MOD Single : A 12 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.07) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00802) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0.64 (180deg=0.442) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00787) USER MOD Single : A 43 SER OG : rot -169:sc= 1.81 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 1.29 (180deg=1.2) USER MOD Single : A 51 THR OG1 : rot 173:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 79:sc= 0.401 USER MOD Single : A 56 ASN : amide:sc= 1.19 K(o=1.2,f=-0.026) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 HEC O2A : rot 166:sc= 0 USER MOD Single : A 166 HEC O2A : rot 168:sc= 0 USER MOD Single : A 166 HEC O2D : rot 172:sc= -0.0862 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.012 -5.761 -2.714 1.00 10.00 N ATOM 2 CA ALA A 1 -10.411 -6.982 -1.987 1.00 10.00 C ATOM 3 C ALA A 1 -9.182 -7.786 -1.544 1.00 10.00 C ATOM 4 O ALA A 1 -8.071 -7.412 -1.899 1.00 10.00 O ATOM 5 CB ALA A 1 -11.362 -7.822 -2.846 1.00 10.00 C ATOM 0 H1 ALA A 1 -10.737 -5.525 -3.421 1.00 10.00 H new ATOM 0 H2 ALA A 1 -9.914 -4.973 -2.042 1.00 10.00 H new ATOM 0 H3 ALA A 1 -9.103 -5.923 -3.192 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.945 -6.692 -1.082 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -11.649 -8.720 -2.299 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.253 -7.239 -3.079 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -10.861 -8.106 -3.772 1.00 10.00 H new ATOM 13 N ASP A 2 -9.392 -8.855 -0.773 1.00 10.00 N ATOM 14 CA ASP A 2 -8.411 -9.840 -0.311 1.00 10.00 C ATOM 15 C ASP A 2 -7.324 -10.151 -1.376 1.00 10.00 C ATOM 16 O ASP A 2 -7.568 -10.894 -2.323 1.00 10.00 O ATOM 17 CB ASP A 2 -9.269 -11.060 0.089 1.00 10.00 C ATOM 18 CG ASP A 2 -8.605 -12.008 1.067 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.410 -12.296 0.873 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.309 -12.400 2.028 1.00 10.00 O ATOM 0 H ASP A 2 -10.327 -9.072 -0.428 1.00 10.00 H new ATOM 0 HA ASP A 2 -7.816 -9.480 0.529 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -10.202 -10.703 0.526 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -9.531 -11.614 -0.812 1.00 10.00 H new ATOM 25 N VAL A 3 -6.147 -9.522 -1.215 1.00 10.00 N ATOM 26 CA VAL A 3 -4.947 -9.591 -2.055 1.00 10.00 C ATOM 27 C VAL A 3 -5.145 -9.080 -3.501 1.00 10.00 C ATOM 28 O VAL A 3 -5.883 -9.670 -4.286 1.00 10.00 O ATOM 29 CB VAL A 3 -4.348 -11.002 -1.980 1.00 10.00 C ATOM 30 CG1 VAL A 3 -3.075 -11.124 -2.829 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.003 -11.380 -0.530 1.00 10.00 C ATOM 0 H VAL A 3 -6.002 -8.897 -0.422 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.223 -8.886 -1.647 1.00 10.00 H new ATOM 0 HB VAL A 3 -5.106 -11.681 -2.370 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.681 -12.137 -2.750 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -3.310 -10.906 -3.871 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.329 -10.415 -2.470 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.580 -12.384 -0.507 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.277 -10.671 -0.132 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.907 -11.352 0.078 1.00 10.00 H new ATOM 41 N VAL A 4 -4.456 -7.990 -3.878 1.00 10.00 N ATOM 42 CA VAL A 4 -4.502 -7.415 -5.232 1.00 10.00 C ATOM 43 C VAL A 4 -3.084 -7.116 -5.746 1.00 10.00 C ATOM 44 O VAL A 4 -2.242 -6.646 -4.987 1.00 10.00 O ATOM 45 CB VAL A 4 -5.359 -6.134 -5.249 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.676 -5.702 -6.688 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.683 -6.301 -4.499 1.00 10.00 C ATOM 0 H VAL A 4 -3.844 -7.477 -3.243 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.961 -8.148 -5.896 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.764 -5.373 -4.745 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.282 -4.796 -6.671 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.746 -5.507 -7.223 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.225 -6.496 -7.194 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.246 -5.369 -4.543 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.265 -7.099 -4.961 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.482 -6.555 -3.458 1.00 10.00 H new ATOM 57 N THR A 5 -2.809 -7.361 -7.030 1.00 10.00 N ATOM 58 CA THR A 5 -1.480 -7.235 -7.638 1.00 10.00 C ATOM 59 C THR A 5 -1.521 -6.295 -8.860 1.00 10.00 C ATOM 60 O THR A 5 -2.500 -6.302 -9.598 1.00 10.00 O ATOM 61 CB THR A 5 -0.959 -8.653 -7.937 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.423 -9.209 -6.752 1.00 10.00 O ATOM 63 CG2 THR A 5 0.146 -8.700 -8.978 1.00 10.00 C ATOM 0 H THR A 5 -3.523 -7.661 -7.694 1.00 10.00 H new ATOM 0 HA THR A 5 -0.772 -6.762 -6.957 1.00 10.00 H new ATOM 0 HB THR A 5 -1.815 -9.207 -8.323 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.091 -10.112 -6.936 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.458 -9.733 -9.131 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.222 -8.289 -9.918 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.996 -8.112 -8.633 1.00 10.00 H new ATOM 71 N TYR A 6 -0.505 -5.420 -8.992 1.00 10.00 N ATOM 72 CA TYR A 6 -0.476 -4.287 -9.939 1.00 10.00 C ATOM 73 C TYR A 6 0.698 -4.372 -10.924 1.00 10.00 C ATOM 74 O TYR A 6 1.757 -3.777 -10.702 1.00 10.00 O ATOM 75 CB TYR A 6 -0.431 -2.953 -9.172 1.00 10.00 C ATOM 76 CG TYR A 6 -1.734 -2.619 -8.471 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.167 -3.426 -7.404 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.524 -1.532 -8.889 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.378 -3.143 -6.753 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.731 -1.241 -8.223 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.162 -2.057 -7.165 1.00 10.00 C ATOM 82 OH TYR A 6 -5.309 -1.783 -6.490 1.00 10.00 O ATOM 0 H TYR A 6 0.342 -5.483 -8.427 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.392 -4.339 -10.528 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.370 -2.993 -8.434 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.184 -2.150 -9.867 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.567 -4.265 -7.085 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -2.205 -0.921 -9.720 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -3.706 -3.764 -5.933 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -4.324 -0.391 -8.526 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.090 -1.433 -5.601 1.00 10.00 H new ATOM 92 N GLU A 7 0.513 -5.104 -12.019 1.00 10.00 N ATOM 93 CA GLU A 7 1.570 -5.490 -12.943 1.00 10.00 C ATOM 94 C GLU A 7 1.881 -4.369 -13.943 1.00 10.00 C ATOM 95 O GLU A 7 1.506 -4.418 -15.110 1.00 10.00 O ATOM 96 CB GLU A 7 1.187 -6.831 -13.587 1.00 10.00 C ATOM 97 CG GLU A 7 0.646 -7.817 -12.527 1.00 10.00 C ATOM 98 CD GLU A 7 -0.876 -7.904 -12.517 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.491 -6.815 -12.541 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.378 -9.044 -12.444 1.00 10.00 O ATOM 0 H GLU A 7 -0.405 -5.454 -12.294 1.00 10.00 H new ATOM 0 HA GLU A 7 2.510 -5.640 -12.412 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.432 -6.667 -14.356 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.057 -7.263 -14.081 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.060 -8.808 -12.715 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.993 -7.509 -11.541 1.00 10.00 H new ATOM 107 N ASN A 8 2.578 -3.341 -13.448 1.00 10.00 N ATOM 108 CA ASN A 8 2.831 -2.087 -14.150 1.00 10.00 C ATOM 109 C ASN A 8 3.827 -2.256 -15.313 1.00 10.00 C ATOM 110 O ASN A 8 3.442 -2.255 -16.479 1.00 10.00 O ATOM 111 CB ASN A 8 3.249 -1.010 -13.124 1.00 10.00 C ATOM 112 CG ASN A 8 4.322 -1.484 -12.142 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.518 -1.404 -12.414 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.929 -2.086 -11.026 1.00 10.00 N ATOM 0 H ASN A 8 2.993 -3.364 -12.517 1.00 10.00 H new ATOM 0 HA ASN A 8 1.913 -1.751 -14.632 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.618 -0.135 -13.658 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.370 -0.693 -12.563 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.620 -2.484 -10.391 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.936 -2.150 -10.804 1.00 10.00 H new ATOM 121 N ALA A 9 5.115 -2.378 -14.987 1.00 10.00 N ATOM 122 CA ALA A 9 6.234 -2.385 -15.923 1.00 10.00 C ATOM 123 C ALA A 9 7.554 -2.695 -15.202 1.00 10.00 C ATOM 124 O ALA A 9 8.353 -3.496 -15.679 1.00 10.00 O ATOM 125 CB ALA A 9 6.326 -1.016 -16.600 1.00 10.00 C ATOM 0 H ALA A 9 5.417 -2.479 -14.018 1.00 10.00 H new ATOM 0 HA ALA A 9 6.064 -3.162 -16.668 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.160 -1.012 -17.302 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.399 -0.813 -17.137 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.484 -0.246 -15.844 1.00 10.00 H new ATOM 131 N ALA A 10 7.788 -2.059 -14.046 1.00 10.00 N ATOM 132 CA ALA A 10 9.036 -2.202 -13.294 1.00 10.00 C ATOM 133 C ALA A 10 9.070 -3.499 -12.478 1.00 10.00 C ATOM 134 O ALA A 10 10.120 -4.110 -12.300 1.00 10.00 O ATOM 135 CB ALA A 10 9.194 -0.983 -12.382 1.00 10.00 C ATOM 0 H ALA A 10 7.114 -1.431 -13.608 1.00 10.00 H new ATOM 0 HA ALA A 10 9.867 -2.257 -13.997 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.119 -1.072 -11.813 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.226 -0.077 -12.988 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.349 -0.931 -11.695 1.00 10.00 H new ATOM 141 N GLY A 11 7.909 -3.884 -11.952 1.00 10.00 N ATOM 142 CA GLY A 11 7.725 -4.999 -11.030 1.00 10.00 C ATOM 143 C GLY A 11 6.328 -4.879 -10.435 1.00 10.00 C ATOM 144 O GLY A 11 5.924 -3.774 -10.071 1.00 10.00 O ATOM 0 H GLY A 11 7.034 -3.406 -12.167 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.839 -5.950 -11.551 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.479 -4.974 -10.244 1.00 10.00 H new ATOM 148 N ASN A 12 5.559 -5.963 -10.335 1.00 10.00 N ATOM 149 CA ASN A 12 4.280 -5.864 -9.639 1.00 10.00 C ATOM 150 C ASN A 12 4.516 -5.775 -8.130 1.00 10.00 C ATOM 151 O ASN A 12 5.579 -6.166 -7.656 1.00 10.00 O ATOM 152 CB ASN A 12 3.319 -6.978 -10.044 1.00 10.00 C ATOM 153 CG ASN A 12 3.649 -8.307 -9.384 1.00 10.00 C ATOM 154 OD1 ASN A 12 3.360 -8.517 -8.215 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.254 -9.222 -10.126 1.00 10.00 N ATOM 0 H ASN A 12 5.787 -6.884 -10.710 1.00 10.00 H new ATOM 0 HA ASN A 12 3.781 -4.944 -9.943 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.302 -6.689 -9.780 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.345 -7.099 -11.127 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.491 -10.129 -9.724 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.483 -9.019 -11.099 1.00 10.00 H new ATOM 162 N VAL A 13 3.563 -5.198 -7.400 1.00 10.00 N ATOM 163 CA VAL A 13 3.771 -4.832 -6.000 1.00 10.00 C ATOM 164 C VAL A 13 3.100 -5.758 -4.970 1.00 10.00 C ATOM 165 O VAL A 13 3.577 -5.866 -3.846 1.00 10.00 O ATOM 166 CB VAL A 13 3.411 -3.355 -5.803 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.023 -3.013 -6.333 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.507 -2.959 -4.334 1.00 10.00 C ATOM 0 H VAL A 13 2.635 -4.973 -7.757 1.00 10.00 H new ATOM 0 HA VAL A 13 4.831 -4.977 -5.792 1.00 10.00 H new ATOM 0 HB VAL A 13 4.138 -2.786 -6.382 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.821 -1.955 -6.167 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.978 -3.228 -7.401 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.276 -3.611 -5.811 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.246 -1.906 -4.223 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.818 -3.567 -3.747 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.525 -3.120 -3.980 1.00 10.00 H new ATOM 178 N THR A 14 1.972 -6.385 -5.314 1.00 10.00 N ATOM 179 CA THR A 14 1.137 -7.120 -4.358 1.00 10.00 C ATOM 180 C THR A 14 0.699 -6.250 -3.165 1.00 10.00 C ATOM 181 O THR A 14 1.308 -6.218 -2.099 1.00 10.00 O ATOM 182 CB THR A 14 1.783 -8.462 -3.972 1.00 10.00 C ATOM 183 OG1 THR A 14 1.683 -9.318 -5.092 1.00 10.00 O ATOM 184 CG2 THR A 14 1.068 -9.183 -2.828 1.00 10.00 C ATOM 0 H THR A 14 1.610 -6.398 -6.268 1.00 10.00 H new ATOM 0 HA THR A 14 0.201 -7.377 -4.854 1.00 10.00 H new ATOM 0 HB THR A 14 2.803 -8.244 -3.657 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.815 -9.187 -5.527 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.580 -10.121 -2.612 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.076 -8.552 -1.939 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.038 -9.391 -3.116 1.00 10.00 H new ATOM 192 N PHE A 15 -0.425 -5.553 -3.343 1.00 10.00 N ATOM 193 CA PHE A 15 -1.201 -5.026 -2.226 1.00 10.00 C ATOM 194 C PHE A 15 -1.816 -6.189 -1.440 1.00 10.00 C ATOM 195 O PHE A 15 -2.860 -6.723 -1.829 1.00 10.00 O ATOM 196 CB PHE A 15 -2.352 -4.155 -2.730 1.00 10.00 C ATOM 197 CG PHE A 15 -2.027 -2.745 -3.157 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.156 -2.528 -4.239 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.935 -1.738 -2.786 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.329 -1.400 -5.059 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.180 -0.674 -3.661 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.415 -0.542 -4.829 1.00 10.00 C ATOM 0 H PHE A 15 -0.818 -5.341 -4.260 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.533 -4.435 -1.600 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.813 -4.664 -3.576 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.103 -4.102 -1.942 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.357 -3.226 -4.439 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.440 -1.785 -1.832 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.633 -1.195 -5.859 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.956 0.043 -3.438 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.662 0.221 -5.552 1.00 10.00 H new ATOM 212 N ASP A 16 -1.237 -6.526 -0.289 1.00 10.00 N ATOM 213 CA ASP A 16 -1.804 -7.551 0.561 1.00 10.00 C ATOM 214 C ASP A 16 -2.892 -6.905 1.411 1.00 10.00 C ATOM 215 O ASP A 16 -2.689 -6.643 2.597 1.00 10.00 O ATOM 216 CB ASP A 16 -0.705 -8.221 1.386 1.00 10.00 C ATOM 217 CG ASP A 16 0.133 -9.190 0.576 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.483 -9.998 -0.150 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.369 -9.120 0.730 1.00 10.00 O ATOM 0 H ASP A 16 -0.381 -6.102 0.068 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.260 -8.349 -0.025 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.057 -7.454 1.809 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.159 -8.752 2.223 1.00 10.00 H new ATOM 224 N HIS A 17 -4.036 -6.639 0.766 1.00 10.00 N ATOM 225 CA HIS A 17 -5.273 -6.182 1.395 1.00 10.00 C ATOM 226 C HIS A 17 -5.481 -6.950 2.703 1.00 10.00 C ATOM 227 O HIS A 17 -5.594 -6.367 3.779 1.00 10.00 O ATOM 228 CB HIS A 17 -6.443 -6.416 0.413 1.00 10.00 C ATOM 229 CG HIS A 17 -7.197 -5.170 0.035 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.059 -4.470 -1.137 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.013 -4.446 0.856 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.741 -3.320 -0.993 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.328 -3.238 0.220 1.00 10.00 N ATOM 0 H HIS A 17 -4.124 -6.741 -0.245 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.222 -5.118 1.628 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.053 -6.879 -0.494 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.139 -7.126 0.859 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -6.537 -4.766 -1.962 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.358 -4.753 1.832 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.811 -2.556 -1.754 1.00 10.00 H new ATOM 241 N LYS A 18 -5.451 -8.278 2.575 1.00 10.00 N ATOM 242 CA LYS A 18 -5.555 -9.236 3.657 1.00 10.00 C ATOM 243 C LYS A 18 -4.441 -9.058 4.689 1.00 10.00 C ATOM 244 O LYS A 18 -4.700 -8.621 5.801 1.00 10.00 O ATOM 245 CB LYS A 18 -5.527 -10.637 3.035 1.00 10.00 C ATOM 246 CG LYS A 18 -5.927 -11.754 4.003 1.00 10.00 C ATOM 247 CD LYS A 18 -7.382 -11.564 4.447 1.00 10.00 C ATOM 248 CE LYS A 18 -8.032 -12.898 4.829 1.00 10.00 C ATOM 249 NZ LYS A 18 -9.488 -12.827 4.613 1.00 10.00 N ATOM 0 H LYS A 18 -5.348 -8.728 1.665 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.487 -9.081 4.201 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.198 -10.656 2.176 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -4.523 -10.837 2.660 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -5.809 -12.724 3.521 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -5.269 -11.747 4.872 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.418 -10.884 5.298 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.951 -11.098 3.642 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.606 -13.704 4.232 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.821 -13.129 5.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.949 -13.630 5.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -9.854 -11.936 5.006 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.690 -12.865 3.593 1.00 10.00 H new ATOM 263 N ALA A 19 -3.198 -9.397 4.337 1.00 10.00 N ATOM 264 CA ALA A 19 -2.106 -9.475 5.314 1.00 10.00 C ATOM 265 C ALA A 19 -1.901 -8.161 6.073 1.00 10.00 C ATOM 266 O ALA A 19 -1.637 -8.171 7.274 1.00 10.00 O ATOM 267 CB ALA A 19 -0.800 -9.893 4.638 1.00 10.00 C ATOM 0 H ALA A 19 -2.921 -9.622 3.381 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.396 -10.233 6.042 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.005 -9.944 5.382 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -0.927 -10.872 4.175 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.535 -9.162 3.874 1.00 10.00 H new ATOM 273 N HIS A 20 -2.056 -7.027 5.381 1.00 10.00 N ATOM 274 CA HIS A 20 -2.160 -5.748 6.062 1.00 10.00 C ATOM 275 C HIS A 20 -3.375 -5.738 7.001 1.00 10.00 C ATOM 276 O HIS A 20 -3.205 -5.574 8.204 1.00 10.00 O ATOM 277 CB HIS A 20 -2.245 -4.600 5.058 1.00 10.00 C ATOM 278 CG HIS A 20 -0.967 -4.263 4.336 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.563 -4.823 3.151 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.088 -3.254 4.641 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.543 -4.164 2.756 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.878 -3.195 3.631 1.00 10.00 N ATOM 0 H HIS A 20 -2.111 -6.976 4.364 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.260 -5.606 6.660 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.005 -4.847 4.316 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.589 -3.709 5.582 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -1.016 -5.594 2.661 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.134 -2.616 5.511 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.092 -4.384 1.852 1.00 10.00 H new ATOM 290 N ALA A 21 -4.598 -5.915 6.483 1.00 10.00 N ATOM 291 CA ALA A 21 -5.827 -5.892 7.277 1.00 10.00 C ATOM 292 C ALA A 21 -5.772 -6.741 8.553 1.00 10.00 C ATOM 293 O ALA A 21 -6.171 -6.267 9.612 1.00 10.00 O ATOM 294 CB ALA A 21 -7.007 -6.349 6.429 1.00 10.00 C ATOM 0 H ALA A 21 -4.760 -6.080 5.490 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.947 -4.857 7.595 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.916 -6.328 7.030 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.121 -5.682 5.575 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.829 -7.365 6.075 1.00 10.00 H new ATOM 300 N GLU A 22 -5.258 -7.969 8.464 1.00 10.00 N ATOM 301 CA GLU A 22 -5.080 -8.864 9.601 1.00 10.00 C ATOM 302 C GLU A 22 -4.351 -8.187 10.783 1.00 10.00 C ATOM 303 O GLU A 22 -4.567 -8.547 11.938 1.00 10.00 O ATOM 304 CB GLU A 22 -4.347 -10.133 9.125 1.00 10.00 C ATOM 305 CG GLU A 22 -5.132 -10.989 8.105 1.00 10.00 C ATOM 306 CD GLU A 22 -6.510 -11.457 8.563 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.619 -11.854 9.741 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.422 -11.439 7.706 1.00 10.00 O ATOM 0 H GLU A 22 -4.949 -8.374 7.580 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.063 -9.136 9.986 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.397 -9.841 8.678 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.115 -10.749 9.994 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.250 -10.412 7.187 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.534 -11.866 7.856 1.00 10.00 H new ATOM 315 N LYS A 23 -3.485 -7.202 10.502 1.00 10.00 N ATOM 316 CA LYS A 23 -2.702 -6.451 11.479 1.00 10.00 C ATOM 317 C LYS A 23 -3.203 -5.001 11.669 1.00 10.00 C ATOM 318 O LYS A 23 -3.089 -4.446 12.758 1.00 10.00 O ATOM 319 CB LYS A 23 -1.246 -6.495 10.995 1.00 10.00 C ATOM 320 CG LYS A 23 -0.688 -7.925 11.113 1.00 10.00 C ATOM 321 CD LYS A 23 0.600 -8.139 10.308 1.00 10.00 C ATOM 322 CE LYS A 23 1.770 -7.297 10.830 1.00 10.00 C ATOM 323 NZ LYS A 23 3.036 -7.694 10.179 1.00 10.00 N ATOM 0 H LYS A 23 -3.308 -6.898 9.544 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.803 -6.903 12.466 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.189 -6.159 9.960 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.638 -5.810 11.586 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.494 -8.147 12.162 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.444 -8.632 10.772 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.873 -9.194 10.341 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.416 -7.890 9.263 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.576 -6.241 10.643 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.858 -7.418 11.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.720 -6.913 10.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.423 -8.534 10.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.858 -7.915 9.179 1.00 10.00 H new ATOM 337 N LEU A 24 -3.732 -4.379 10.609 1.00 10.00 N ATOM 338 CA LEU A 24 -4.095 -2.961 10.526 1.00 10.00 C ATOM 339 C LEU A 24 -5.608 -2.684 10.657 1.00 10.00 C ATOM 340 O LEU A 24 -6.015 -1.542 10.850 1.00 10.00 O ATOM 341 CB LEU A 24 -3.566 -2.401 9.198 1.00 10.00 C ATOM 342 CG LEU A 24 -2.044 -2.468 8.986 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.698 -1.601 7.769 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.254 -1.935 10.186 1.00 10.00 C ATOM 0 H LEU A 24 -3.928 -4.878 9.741 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.637 -2.462 11.380 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.049 -2.941 8.383 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.877 -1.359 9.118 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.772 -3.514 8.847 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.622 -1.630 7.595 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.218 -1.983 6.890 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.008 -0.573 7.955 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.186 -2.007 9.980 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.520 -0.893 10.363 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.493 -2.526 11.070 1.00 10.00 H new ATOM 356 N GLY A 25 -6.458 -3.707 10.543 1.00 10.00 N ATOM 357 CA GLY A 25 -7.878 -3.630 10.880 1.00 10.00 C ATOM 358 C GLY A 25 -8.753 -2.784 9.951 1.00 10.00 C ATOM 359 O GLY A 25 -9.741 -2.219 10.412 1.00 10.00 O ATOM 0 H GLY A 25 -6.172 -4.627 10.208 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.280 -4.643 10.899 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.968 -3.232 11.891 1.00 10.00 H new ATOM 363 N CYS A 26 -8.407 -2.710 8.658 1.00 10.00 N ATOM 364 CA CYS A 26 -9.057 -1.928 7.592 1.00 10.00 C ATOM 365 C CYS A 26 -8.956 -0.409 7.805 1.00 10.00 C ATOM 366 O CYS A 26 -8.489 0.307 6.918 1.00 10.00 O ATOM 367 CB CYS A 26 -10.501 -2.317 7.381 1.00 10.00 C ATOM 368 SG CYS A 26 -10.829 -4.096 7.209 1.00 10.00 S ATOM 0 H CYS A 26 -7.607 -3.233 8.302 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.497 -2.177 6.691 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.085 -1.939 8.220 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.866 -1.812 6.486 1.00 10.00 H new ATOM 373 N ASP A 27 -9.400 0.072 8.970 1.00 10.00 N ATOM 374 CA ASP A 27 -9.482 1.461 9.397 1.00 10.00 C ATOM 375 C ASP A 27 -8.222 2.249 9.030 1.00 10.00 C ATOM 376 O ASP A 27 -8.289 3.325 8.438 1.00 10.00 O ATOM 377 CB ASP A 27 -9.754 1.465 10.905 1.00 10.00 C ATOM 378 CG ASP A 27 -9.918 2.882 11.422 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.020 3.433 11.214 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.932 3.381 12.002 1.00 10.00 O ATOM 0 H ASP A 27 -9.739 -0.559 9.696 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.294 1.967 8.875 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.655 0.890 11.118 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -8.932 0.976 11.428 1.00 10.00 H new ATOM 385 N ALA A 28 -7.067 1.626 9.285 1.00 10.00 N ATOM 386 CA ALA A 28 -5.742 2.109 8.910 1.00 10.00 C ATOM 387 C ALA A 28 -5.640 2.709 7.495 1.00 10.00 C ATOM 388 O ALA A 28 -4.815 3.592 7.264 1.00 10.00 O ATOM 389 CB ALA A 28 -4.803 0.919 9.024 1.00 10.00 C ATOM 0 H ALA A 28 -7.033 0.734 9.779 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.487 2.933 9.577 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.793 1.226 8.753 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.808 0.549 10.049 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.135 0.128 8.351 1.00 10.00 H new ATOM 395 N CYS A 29 -6.437 2.207 6.546 1.00 10.00 N ATOM 396 CA CYS A 29 -6.457 2.652 5.154 1.00 10.00 C ATOM 397 C CYS A 29 -7.816 3.243 4.734 1.00 10.00 C ATOM 398 O CYS A 29 -8.006 3.598 3.571 1.00 10.00 O ATOM 399 CB CYS A 29 -6.152 1.466 4.283 1.00 10.00 C ATOM 400 SG CYS A 29 -4.480 0.768 4.529 1.00 10.00 S ATOM 0 H CYS A 29 -7.104 1.458 6.733 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.715 3.443 5.042 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.891 0.688 4.476 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.262 1.758 3.239 1.00 10.00 H new ATOM 405 N HIS A 30 -8.790 3.302 5.644 1.00 10.00 N ATOM 406 CA HIS A 30 -10.194 3.466 5.299 1.00 10.00 C ATOM 407 C HIS A 30 -10.994 4.047 6.469 1.00 10.00 C ATOM 408 O HIS A 30 -11.428 3.298 7.336 1.00 10.00 O ATOM 409 CB HIS A 30 -10.744 2.081 4.922 1.00 10.00 C ATOM 410 CG HIS A 30 -10.300 1.510 3.609 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.403 2.109 2.383 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.924 0.220 3.396 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.063 1.196 1.449 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.764 0.015 2.015 1.00 10.00 N ATOM 0 H HIS A 30 -8.620 3.236 6.648 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.287 4.164 4.467 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.466 1.380 5.709 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.832 2.138 4.917 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.686 3.073 2.207 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.773 -0.525 4.163 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.035 1.389 0.387 1.00 10.00 H new ATOM 422 N GLU A 31 -11.245 5.360 6.462 1.00 10.00 N ATOM 423 CA GLU A 31 -11.906 6.060 7.554 1.00 10.00 C ATOM 424 C GLU A 31 -13.346 5.569 7.809 1.00 10.00 C ATOM 425 O GLU A 31 -14.321 6.163 7.345 1.00 10.00 O ATOM 426 CB GLU A 31 -11.857 7.571 7.285 1.00 10.00 C ATOM 427 CG GLU A 31 -10.418 8.111 7.255 1.00 10.00 C ATOM 428 CD GLU A 31 -10.382 9.613 7.006 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.631 10.355 7.979 1.00 10.00 O ATOM 430 OE2 GLU A 31 -10.116 9.984 5.843 1.00 10.00 O ATOM 0 H GLU A 31 -10.989 5.969 5.685 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.365 5.836 8.473 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.343 7.784 6.333 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.423 8.094 8.056 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.926 7.888 8.202 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.854 7.600 6.475 1.00 10.00 H new ATOM 437 N GLY A 32 -13.487 4.461 8.540 1.00 10.00 N ATOM 438 CA GLY A 32 -14.762 3.822 8.850 1.00 10.00 C ATOM 439 C GLY A 32 -15.376 3.122 7.632 1.00 10.00 C ATOM 440 O GLY A 32 -15.515 1.900 7.613 1.00 10.00 O ATOM 0 H GLY A 32 -12.689 3.970 8.944 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.616 3.095 9.649 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.459 4.571 9.225 1.00 10.00 H new ATOM 444 N THR A 33 -15.747 3.896 6.609 1.00 10.00 N ATOM 445 CA THR A 33 -16.350 3.394 5.373 1.00 10.00 C ATOM 446 C THR A 33 -15.265 3.081 4.332 1.00 10.00 C ATOM 447 O THR A 33 -14.630 4.008 3.828 1.00 10.00 O ATOM 448 CB THR A 33 -17.345 4.423 4.814 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.373 4.623 5.759 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.010 3.934 3.524 1.00 10.00 C ATOM 0 H THR A 33 -15.634 4.910 6.618 1.00 10.00 H new ATOM 0 HA THR A 33 -16.887 2.472 5.598 1.00 10.00 H new ATOM 0 HB THR A 33 -16.789 5.337 4.607 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.013 5.280 5.412 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.706 4.692 3.163 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.247 3.752 2.767 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.552 3.009 3.722 1.00 10.00 H new ATOM 458 N PRO A 34 -15.039 1.809 3.969 1.00 10.00 N ATOM 459 CA PRO A 34 -14.091 1.460 2.923 1.00 10.00 C ATOM 460 C PRO A 34 -14.668 1.754 1.533 1.00 10.00 C ATOM 461 O PRO A 34 -15.882 1.779 1.342 1.00 10.00 O ATOM 462 CB PRO A 34 -13.838 -0.033 3.112 1.00 10.00 C ATOM 463 CG PRO A 34 -15.195 -0.532 3.608 1.00 10.00 C ATOM 464 CD PRO A 34 -15.677 0.612 4.497 1.00 10.00 C ATOM 0 HA PRO A 34 -13.172 2.042 2.990 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.542 -0.517 2.181 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.045 -0.223 3.836 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.882 -0.719 2.783 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.103 -1.465 4.165 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.763 0.701 4.468 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.398 0.445 5.537 1.00 10.00 H new ATOM 472 N ALA A 35 -13.784 1.964 0.553 1.00 10.00 N ATOM 473 CA ALA A 35 -14.145 2.276 -0.827 1.00 10.00 C ATOM 474 C ALA A 35 -12.917 2.129 -1.734 1.00 10.00 C ATOM 475 O ALA A 35 -11.804 1.932 -1.244 1.00 10.00 O ATOM 476 CB ALA A 35 -14.701 3.704 -0.900 1.00 10.00 C ATOM 0 H ALA A 35 -12.776 1.920 0.704 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.912 1.581 -1.169 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.971 3.937 -1.930 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.585 3.783 -0.267 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.943 4.408 -0.555 1.00 10.00 H new ATOM 482 N LYS A 36 -13.109 2.247 -3.052 1.00 10.00 N ATOM 483 CA LYS A 36 -11.995 2.347 -3.990 1.00 10.00 C ATOM 484 C LYS A 36 -11.330 3.733 -3.932 1.00 10.00 C ATOM 485 O LYS A 36 -12.003 4.737 -3.705 1.00 10.00 O ATOM 486 CB LYS A 36 -12.426 1.951 -5.408 1.00 10.00 C ATOM 487 CG LYS A 36 -13.411 2.933 -6.056 1.00 10.00 C ATOM 488 CD LYS A 36 -13.740 2.439 -7.473 1.00 10.00 C ATOM 489 CE LYS A 36 -14.779 3.319 -8.181 1.00 10.00 C ATOM 490 NZ LYS A 36 -14.272 4.687 -8.425 1.00 10.00 N ATOM 0 H LYS A 36 -14.030 2.275 -3.490 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.232 1.631 -3.686 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.540 1.872 -6.038 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.883 0.962 -5.375 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.321 3.004 -5.460 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.977 3.932 -6.096 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.826 2.415 -8.066 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.112 1.416 -7.419 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.056 2.860 -9.130 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.684 3.370 -7.575 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -14.985 5.233 -8.950 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -14.079 5.153 -7.516 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.395 4.638 -8.982 1.00 10.00 H new ATOM 504 N ILE A 37 -10.010 3.781 -4.128 1.00 10.00 N ATOM 505 CA ILE A 37 -9.168 4.970 -3.999 1.00 10.00 C ATOM 506 C ILE A 37 -8.176 4.943 -5.166 1.00 10.00 C ATOM 507 O ILE A 37 -7.551 3.913 -5.397 1.00 10.00 O ATOM 508 CB ILE A 37 -8.426 4.946 -2.642 1.00 10.00 C ATOM 509 CG1 ILE A 37 -9.413 4.933 -1.457 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.474 6.149 -2.533 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.732 4.727 -0.098 1.00 10.00 C ATOM 0 H ILE A 37 -9.476 2.953 -4.393 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.763 5.883 -4.028 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.843 4.026 -2.598 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.962 5.875 -1.441 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -10.145 4.140 -1.612 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.959 6.119 -1.573 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.742 6.108 -3.339 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.046 7.074 -2.609 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -9.485 4.729 0.690 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -8.206 3.772 -0.096 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -8.020 5.534 0.078 1.00 10.00 H new ATOM 523 N ALA A 38 -8.024 6.035 -5.921 1.00 10.00 N ATOM 524 CA ALA A 38 -7.135 6.017 -7.081 1.00 10.00 C ATOM 525 C ALA A 38 -5.659 5.875 -6.692 1.00 10.00 C ATOM 526 O ALA A 38 -5.034 6.799 -6.167 1.00 10.00 O ATOM 527 CB ALA A 38 -7.352 7.240 -7.959 1.00 10.00 C ATOM 0 H ALA A 38 -8.495 6.924 -5.753 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.395 5.129 -7.658 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.677 7.199 -8.814 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.383 7.256 -8.312 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.152 8.143 -7.382 1.00 10.00 H new ATOM 533 N ILE A 39 -5.117 4.688 -6.956 1.00 10.00 N ATOM 534 CA ILE A 39 -3.713 4.365 -6.783 1.00 10.00 C ATOM 535 C ILE A 39 -2.951 4.524 -8.093 1.00 10.00 C ATOM 536 O ILE A 39 -3.085 3.717 -9.011 1.00 10.00 O ATOM 537 CB ILE A 39 -3.559 2.956 -6.221 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.217 2.862 -4.839 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.073 2.559 -6.194 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.619 3.771 -3.755 1.00 10.00 C ATOM 0 H ILE A 39 -5.666 3.903 -7.307 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.283 5.065 -6.067 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.072 2.245 -6.868 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.276 3.100 -4.944 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.155 1.829 -4.496 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.973 1.551 -5.791 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.671 2.587 -7.207 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.521 3.258 -5.565 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.158 3.625 -2.819 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.568 3.522 -3.611 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.706 4.812 -4.065 1.00 10.00 H new ATOM 552 N ASP A 40 -2.089 5.535 -8.109 1.00 10.00 N ATOM 553 CA ASP A 40 -1.176 5.832 -9.188 1.00 10.00 C ATOM 554 C ASP A 40 0.174 6.222 -8.581 1.00 10.00 C ATOM 555 O ASP A 40 0.263 6.605 -7.409 1.00 10.00 O ATOM 556 CB ASP A 40 -1.730 7.034 -9.976 1.00 10.00 C ATOM 557 CG ASP A 40 -3.182 6.902 -10.414 1.00 10.00 C ATOM 558 OD1 ASP A 40 -4.056 7.182 -9.565 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.383 6.605 -11.609 1.00 10.00 O ATOM 0 H ASP A 40 -2.010 6.193 -7.334 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.062 4.970 -9.845 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.632 7.929 -9.361 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.112 7.185 -10.861 1.00 10.00 H new ATOM 564 N LYS A 41 1.194 6.304 -9.428 1.00 10.00 N ATOM 565 CA LYS A 41 2.423 7.050 -9.182 1.00 10.00 C ATOM 566 C LYS A 41 2.207 8.461 -8.572 1.00 10.00 C ATOM 567 O LYS A 41 3.109 9.015 -7.950 1.00 10.00 O ATOM 568 CB LYS A 41 3.233 7.120 -10.484 1.00 10.00 C ATOM 569 CG LYS A 41 2.496 7.869 -11.616 1.00 10.00 C ATOM 570 CD LYS A 41 3.440 8.745 -12.459 1.00 10.00 C ATOM 571 CE LYS A 41 4.101 7.998 -13.625 1.00 10.00 C ATOM 572 NZ LYS A 41 4.661 6.701 -13.208 1.00 10.00 N ATOM 0 H LYS A 41 1.188 5.837 -10.335 1.00 10.00 H new ATOM 0 HA LYS A 41 2.979 6.507 -8.418 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.184 7.616 -10.287 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.464 6.108 -10.816 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.003 7.145 -12.264 1.00 10.00 H new ATOM 0 HG3 LYS A 41 1.715 8.495 -11.184 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.879 9.592 -12.854 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.218 9.151 -11.812 1.00 10.00 H new ATOM 0 HE2 LYS A 41 3.367 7.838 -14.415 1.00 10.00 H new ATOM 0 HE3 LYS A 41 4.894 8.615 -14.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 5.127 6.247 -14.019 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 5.356 6.851 -12.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.896 6.088 -12.861 1.00 10.00 H new ATOM 586 N LYS A 42 1.020 9.055 -8.755 1.00 10.00 N ATOM 587 CA LYS A 42 0.642 10.371 -8.253 1.00 10.00 C ATOM 588 C LYS A 42 0.186 10.325 -6.787 1.00 10.00 C ATOM 589 O LYS A 42 0.196 11.358 -6.118 1.00 10.00 O ATOM 590 CB LYS A 42 -0.455 10.929 -9.180 1.00 10.00 C ATOM 591 CG LYS A 42 -1.034 12.286 -8.745 1.00 10.00 C ATOM 592 CD LYS A 42 -2.186 12.738 -9.661 1.00 10.00 C ATOM 593 CE LYS A 42 -1.760 13.203 -11.060 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.999 14.471 -11.016 1.00 10.00 N ATOM 0 H LYS A 42 0.269 8.607 -9.280 1.00 10.00 H new ATOM 0 HA LYS A 42 1.510 11.031 -8.263 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.046 11.029 -10.185 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -1.267 10.204 -9.237 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -1.393 12.215 -7.718 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -0.245 13.038 -8.756 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.890 11.913 -9.768 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.721 13.552 -9.172 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.150 12.431 -11.528 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.644 13.333 -11.684 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.775 14.775 -11.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.570 15.203 -10.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.116 14.328 -10.485 1.00 10.00 H new ATOM 608 N SER A 43 -0.235 9.155 -6.297 1.00 10.00 N ATOM 609 CA SER A 43 -0.757 8.959 -4.950 1.00 10.00 C ATOM 610 C SER A 43 0.126 7.997 -4.145 1.00 10.00 C ATOM 611 O SER A 43 0.736 8.392 -3.146 1.00 10.00 O ATOM 612 CB SER A 43 -2.210 8.476 -5.041 1.00 10.00 C ATOM 613 OG SER A 43 -2.317 7.348 -5.889 1.00 10.00 O ATOM 0 H SER A 43 -0.220 8.296 -6.846 1.00 10.00 H new ATOM 0 HA SER A 43 -0.741 9.907 -4.412 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.576 8.223 -4.046 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.841 9.280 -5.418 1.00 10.00 H new ATOM 0 HG SER A 43 -3.262 7.168 -6.077 1.00 10.00 H new ATOM 619 N ALA A 44 0.228 6.749 -4.610 1.00 10.00 N ATOM 620 CA ALA A 44 0.942 5.656 -3.941 1.00 10.00 C ATOM 621 C ALA A 44 2.461 5.854 -3.880 1.00 10.00 C ATOM 622 O ALA A 44 3.147 5.209 -3.093 1.00 10.00 O ATOM 623 CB ALA A 44 0.601 4.336 -4.627 1.00 10.00 C ATOM 0 H ALA A 44 -0.198 6.461 -5.491 1.00 10.00 H new ATOM 0 HA ALA A 44 0.606 5.645 -2.904 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.130 3.522 -4.132 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -0.473 4.161 -4.566 1.00 10.00 H new ATOM 0 HB3 ALA A 44 0.902 4.381 -5.674 1.00 10.00 H new ATOM 629 N HIS A 45 2.987 6.749 -4.718 1.00 10.00 N ATOM 630 CA HIS A 45 4.370 7.215 -4.671 1.00 10.00 C ATOM 631 C HIS A 45 4.487 8.650 -4.140 1.00 10.00 C ATOM 632 O HIS A 45 5.596 9.181 -4.090 1.00 10.00 O ATOM 633 CB HIS A 45 4.959 7.132 -6.083 1.00 10.00 C ATOM 634 CG HIS A 45 5.872 5.966 -6.344 1.00 10.00 C ATOM 635 ND1 HIS A 45 7.093 6.081 -6.960 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.585 4.629 -6.223 1.00 10.00 C ATOM 637 CE1 HIS A 45 7.532 4.842 -7.211 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.657 3.919 -6.778 1.00 10.00 N ATOM 0 H HIS A 45 2.446 7.180 -5.468 1.00 10.00 H new ATOM 0 HA HIS A 45 4.922 6.577 -3.981 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.137 7.092 -6.797 1.00 10.00 H new ATOM 0 HB3 HIS A 45 5.509 8.052 -6.281 1.00 10.00 H new ATOM 0 HD1 HIS A 45 7.577 6.950 -7.185 1.00 10.00 H new ATOM 0 HD2 HIS A 45 4.696 4.203 -5.781 1.00 10.00 H new ATOM 0 HE1 HIS A 45 8.468 4.614 -7.698 1.00 10.00 H new ATOM 646 N LYS A 46 3.391 9.275 -3.698 1.00 10.00 N ATOM 647 CA LYS A 46 3.405 10.621 -3.126 1.00 10.00 C ATOM 648 C LYS A 46 3.333 10.557 -1.604 1.00 10.00 C ATOM 649 O LYS A 46 4.278 10.976 -0.932 1.00 10.00 O ATOM 650 CB LYS A 46 2.242 11.434 -3.696 1.00 10.00 C ATOM 651 CG LYS A 46 2.397 12.919 -3.344 1.00 10.00 C ATOM 652 CD LYS A 46 1.182 13.711 -3.838 1.00 10.00 C ATOM 653 CE LYS A 46 1.378 15.199 -3.521 1.00 10.00 C ATOM 654 NZ LYS A 46 0.173 15.989 -3.851 1.00 10.00 N ATOM 0 H LYS A 46 2.462 8.855 -3.728 1.00 10.00 H new ATOM 0 HA LYS A 46 4.340 11.114 -3.394 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.203 11.314 -4.779 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.299 11.057 -3.299 1.00 10.00 H new ATOM 0 HG2 LYS A 46 2.502 13.035 -2.265 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.306 13.314 -3.797 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.055 13.571 -4.911 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.275 13.343 -3.359 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.614 15.318 -2.463 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.230 15.582 -4.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.341 16.990 -3.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -0.037 15.895 -4.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -0.634 15.639 -3.296 1.00 10.00 H new ATOM 668 N ASP A 47 2.228 9.999 -1.110 1.00 10.00 N ATOM 669 CA ASP A 47 1.881 9.929 0.306 1.00 10.00 C ATOM 670 C ASP A 47 1.306 8.554 0.688 1.00 10.00 C ATOM 671 O ASP A 47 1.872 7.853 1.530 1.00 10.00 O ATOM 672 CB ASP A 47 0.904 11.071 0.611 1.00 10.00 C ATOM 673 CG ASP A 47 0.378 10.961 2.030 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.197 11.166 2.950 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.815 10.619 2.158 1.00 10.00 O ATOM 0 H ASP A 47 1.524 9.567 -1.709 1.00 10.00 H new ATOM 0 HA ASP A 47 2.779 10.046 0.913 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.404 12.030 0.476 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.073 11.043 -0.094 1.00 10.00 H new ATOM 680 N ALA A 48 0.194 8.162 0.053 1.00 10.00 N ATOM 681 CA ALA A 48 -0.466 6.885 0.303 1.00 10.00 C ATOM 682 C ALA A 48 0.541 5.725 0.287 1.00 10.00 C ATOM 683 O ALA A 48 1.434 5.686 -0.558 1.00 10.00 O ATOM 684 CB ALA A 48 -1.585 6.676 -0.723 1.00 10.00 C ATOM 0 H ALA A 48 -0.273 8.731 -0.654 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.908 6.904 1.299 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.077 5.722 -0.535 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.313 7.483 -0.637 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.162 6.675 -1.728 1.00 10.00 H new ATOM 690 N CYS A 49 0.434 4.818 1.265 1.00 10.00 N ATOM 691 CA CYS A 49 1.340 3.682 1.476 1.00 10.00 C ATOM 692 C CYS A 49 2.720 4.111 1.976 1.00 10.00 C ATOM 693 O CYS A 49 3.122 3.743 3.083 1.00 10.00 O ATOM 694 CB CYS A 49 1.412 2.779 0.264 1.00 10.00 C ATOM 695 SG CYS A 49 -0.287 2.302 -0.175 1.00 10.00 S ATOM 0 H CYS A 49 -0.314 4.856 1.957 1.00 10.00 H new ATOM 0 HA CYS A 49 0.907 3.087 2.280 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.891 3.294 -0.568 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.013 1.896 0.481 1.00 10.00 H new ATOM 700 N LYS A 50 3.434 4.909 1.178 1.00 10.00 N ATOM 701 CA LYS A 50 4.730 5.462 1.532 1.00 10.00 C ATOM 702 C LYS A 50 4.766 6.019 2.960 1.00 10.00 C ATOM 703 O LYS A 50 5.582 5.576 3.755 1.00 10.00 O ATOM 704 CB LYS A 50 5.128 6.582 0.572 1.00 10.00 C ATOM 705 CG LYS A 50 5.568 6.180 -0.837 1.00 10.00 C ATOM 706 CD LYS A 50 6.590 7.205 -1.373 1.00 10.00 C ATOM 707 CE LYS A 50 6.109 8.635 -1.069 1.00 10.00 C ATOM 708 NZ LYS A 50 6.811 9.687 -1.830 1.00 10.00 N ATOM 0 H LYS A 50 3.115 5.190 0.251 1.00 10.00 H new ATOM 0 HA LYS A 50 5.434 4.633 1.463 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.281 7.262 0.479 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.941 7.145 1.031 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.011 5.184 -0.820 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.704 6.133 -1.499 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.564 7.035 -0.914 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.718 7.076 -2.448 1.00 10.00 H new ATOM 0 HE2 LYS A 50 5.042 8.700 -1.282 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.234 8.829 -0.004 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 6.748 10.589 -1.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 7.810 9.424 -1.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 6.370 9.791 -2.766 1.00 10.00 H new ATOM 722 N THR A 51 3.936 7.012 3.288 1.00 10.00 N ATOM 723 CA THR A 51 4.016 7.744 4.559 1.00 10.00 C ATOM 724 C THR A 51 3.890 6.823 5.785 1.00 10.00 C ATOM 725 O THR A 51 4.637 6.962 6.760 1.00 10.00 O ATOM 726 CB THR A 51 2.987 8.884 4.548 1.00 10.00 C ATOM 727 OG1 THR A 51 3.365 9.789 3.536 1.00 10.00 O ATOM 728 CG2 THR A 51 2.942 9.658 5.867 1.00 10.00 C ATOM 0 H THR A 51 3.185 7.334 2.678 1.00 10.00 H new ATOM 0 HA THR A 51 5.010 8.181 4.652 1.00 10.00 H new ATOM 0 HB THR A 51 2.003 8.445 4.384 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.670 10.472 3.432 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.197 10.450 5.799 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.677 8.980 6.678 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.920 10.096 6.065 1.00 10.00 H new ATOM 736 N CYS A 52 2.989 5.836 5.708 1.00 10.00 N ATOM 737 CA CYS A 52 2.910 4.758 6.694 1.00 10.00 C ATOM 738 C CYS A 52 4.218 3.961 6.718 1.00 10.00 C ATOM 739 O CYS A 52 4.872 3.874 7.752 1.00 10.00 O ATOM 740 CB CYS A 52 1.724 3.873 6.412 1.00 10.00 C ATOM 741 SG CYS A 52 1.589 2.616 7.716 1.00 10.00 S ATOM 0 H CYS A 52 2.297 5.765 4.962 1.00 10.00 H new ATOM 0 HA CYS A 52 2.769 5.192 7.684 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.813 4.469 6.370 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.836 3.394 5.439 1.00 10.00 H new ATOM 746 N HIS A 53 4.638 3.434 5.563 1.00 10.00 N ATOM 747 CA HIS A 53 5.900 2.711 5.427 1.00 10.00 C ATOM 748 C HIS A 53 7.127 3.486 5.965 1.00 10.00 C ATOM 749 O HIS A 53 8.049 2.873 6.496 1.00 10.00 O ATOM 750 CB HIS A 53 6.069 2.305 3.957 1.00 10.00 C ATOM 751 CG HIS A 53 5.458 0.970 3.639 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.172 -0.190 3.531 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.134 0.635 3.628 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.295 -1.207 3.457 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.029 -0.766 3.509 1.00 10.00 N ATOM 0 H HIS A 53 4.107 3.499 4.694 1.00 10.00 H new ATOM 0 HA HIS A 53 5.853 1.822 6.056 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.615 3.066 3.322 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.131 2.279 3.714 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.189 -0.270 3.510 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.307 1.326 3.699 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.574 -2.246 3.367 1.00 10.00 H new ATOM 763 N LYS A 54 7.160 4.812 5.805 1.00 10.00 N ATOM 764 CA LYS A 54 8.165 5.690 6.393 1.00 10.00 C ATOM 765 C LYS A 54 8.064 5.719 7.916 1.00 10.00 C ATOM 766 O LYS A 54 9.057 5.525 8.613 1.00 10.00 O ATOM 767 CB LYS A 54 8.020 7.100 5.847 1.00 10.00 C ATOM 768 CG LYS A 54 8.423 7.151 4.377 1.00 10.00 C ATOM 769 CD LYS A 54 8.995 8.544 4.129 1.00 10.00 C ATOM 770 CE LYS A 54 9.401 8.789 2.674 1.00 10.00 C ATOM 771 NZ LYS A 54 10.568 7.964 2.295 1.00 10.00 N ATOM 0 H LYS A 54 6.469 5.314 5.248 1.00 10.00 H new ATOM 0 HA LYS A 54 9.143 5.293 6.123 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.989 7.435 5.959 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.642 7.785 6.424 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.163 6.383 4.151 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.563 6.965 3.733 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.255 9.289 4.421 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.865 8.690 4.770 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.562 8.560 2.017 1.00 10.00 H new ATOM 0 HE3 LYS A 54 9.637 9.844 2.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 10.819 8.152 1.303 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 11.374 8.201 2.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.333 6.957 2.407 1.00 10.00 H new ATOM 785 N SER A 55 6.862 5.956 8.444 1.00 10.00 N ATOM 786 CA SER A 55 6.632 6.032 9.886 1.00 10.00 C ATOM 787 C SER A 55 6.576 4.637 10.533 1.00 10.00 C ATOM 788 O SER A 55 5.711 4.374 11.367 1.00 10.00 O ATOM 789 CB SER A 55 5.350 6.834 10.145 1.00 10.00 C ATOM 790 OG SER A 55 5.387 8.066 9.444 1.00 10.00 O ATOM 0 H SER A 55 6.022 6.100 7.884 1.00 10.00 H new ATOM 0 HA SER A 55 7.473 6.545 10.353 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.482 6.255 9.830 1.00 10.00 H new ATOM 0 HB3 SER A 55 5.239 7.019 11.213 1.00 10.00 H new ATOM 0 HG SER A 55 5.162 7.914 8.503 1.00 10.00 H new ATOM 796 N ASN A 56 7.500 3.747 10.154 1.00 10.00 N ATOM 797 CA ASN A 56 7.613 2.352 10.553 1.00 10.00 C ATOM 798 C ASN A 56 8.965 1.803 10.074 1.00 10.00 C ATOM 799 O ASN A 56 9.552 2.315 9.123 1.00 10.00 O ATOM 800 CB ASN A 56 6.456 1.535 9.945 1.00 10.00 C ATOM 801 CG ASN A 56 5.578 0.916 11.018 1.00 10.00 C ATOM 802 OD1 ASN A 56 5.436 -0.296 11.105 1.00 10.00 O ATOM 803 ND2 ASN A 56 4.991 1.743 11.865 1.00 10.00 N ATOM 0 H ASN A 56 8.244 4.011 9.509 1.00 10.00 H new ATOM 0 HA ASN A 56 7.555 2.273 11.639 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.851 2.180 9.308 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.862 0.748 9.309 1.00 10.00 H new ATOM 0 HD21 ASN A 56 4.403 1.375 12.613 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.125 2.750 11.771 1.00 10.00 H new ATOM 810 N ASN A 57 9.456 0.739 10.709 1.00 10.00 N ATOM 811 CA ASN A 57 10.728 0.107 10.348 1.00 10.00 C ATOM 812 C ASN A 57 10.598 -0.766 9.085 1.00 10.00 C ATOM 813 O ASN A 57 10.855 -1.965 9.119 1.00 10.00 O ATOM 814 CB ASN A 57 11.255 -0.693 11.549 1.00 10.00 C ATOM 815 CG ASN A 57 11.464 0.200 12.766 1.00 10.00 C ATOM 816 OD1 ASN A 57 12.355 1.038 12.789 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.643 0.047 13.797 1.00 10.00 N ATOM 0 H ASN A 57 8.982 0.288 11.492 1.00 10.00 H new ATOM 0 HA ASN A 57 11.450 0.885 10.101 1.00 10.00 H new ATOM 0 HB2 ASN A 57 10.551 -1.487 11.796 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.197 -1.173 11.283 1.00 10.00 H new ATOM 0 HD21 ASN A 57 10.750 0.633 14.625 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.905 -0.657 13.761 1.00 10.00 H new ATOM 824 N GLY A 58 10.180 -0.164 7.966 1.00 10.00 N ATOM 825 CA GLY A 58 9.928 -0.879 6.717 1.00 10.00 C ATOM 826 C GLY A 58 11.205 -1.241 5.937 1.00 10.00 C ATOM 827 O GLY A 58 12.290 -0.745 6.243 1.00 10.00 O ATOM 0 H GLY A 58 10.007 0.839 7.905 1.00 10.00 H new ATOM 0 HA2 GLY A 58 9.377 -1.793 6.938 1.00 10.00 H new ATOM 0 HA3 GLY A 58 9.287 -0.267 6.082 1.00 10.00 H new ATOM 831 N PRO A 59 11.084 -2.056 4.873 1.00 10.00 N ATOM 832 CA PRO A 59 12.204 -2.473 4.030 1.00 10.00 C ATOM 833 C PRO A 59 12.937 -1.288 3.382 1.00 10.00 C ATOM 834 O PRO A 59 14.147 -1.336 3.174 1.00 10.00 O ATOM 835 CB PRO A 59 11.593 -3.404 2.977 1.00 10.00 C ATOM 836 CG PRO A 59 10.134 -2.956 2.904 1.00 10.00 C ATOM 837 CD PRO A 59 9.838 -2.608 4.361 1.00 10.00 C ATOM 0 HA PRO A 59 12.970 -2.973 4.623 1.00 10.00 H new ATOM 0 HB2 PRO A 59 12.092 -3.302 2.014 1.00 10.00 H new ATOM 0 HB3 PRO A 59 11.677 -4.450 3.270 1.00 10.00 H new ATOM 0 HG2 PRO A 59 10.003 -2.098 2.244 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.482 -3.747 2.532 1.00 10.00 H new ATOM 0 HD2 PRO A 59 9.025 -1.886 4.438 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.535 -3.490 4.925 1.00 10.00 H new ATOM 845 N THR A 60 12.210 -0.212 3.064 1.00 10.00 N ATOM 846 CA THR A 60 12.785 1.067 2.632 1.00 10.00 C ATOM 847 C THR A 60 13.628 0.939 1.349 1.00 10.00 C ATOM 848 O THR A 60 14.655 1.593 1.189 1.00 10.00 O ATOM 849 CB THR A 60 13.537 1.731 3.804 1.00 10.00 C ATOM 850 OG1 THR A 60 12.738 1.672 4.969 1.00 10.00 O ATOM 851 CG2 THR A 60 13.800 3.225 3.586 1.00 10.00 C ATOM 0 H THR A 60 11.191 -0.205 3.100 1.00 10.00 H new ATOM 0 HA THR A 60 11.969 1.733 2.351 1.00 10.00 H new ATOM 0 HB THR A 60 14.481 1.192 3.888 1.00 10.00 H new ATOM 0 HG1 THR A 60 12.737 0.757 5.319 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.332 3.630 4.447 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.404 3.361 2.689 1.00 10.00 H new ATOM 0 HG23 THR A 60 12.851 3.748 3.467 1.00 10.00 H new ATOM 859 N LYS A 61 13.163 0.122 0.399 1.00 10.00 N ATOM 860 CA LYS A 61 13.705 0.025 -0.955 1.00 10.00 C ATOM 861 C LYS A 61 12.594 -0.351 -1.940 1.00 10.00 C ATOM 862 O LYS A 61 11.598 -0.960 -1.553 1.00 10.00 O ATOM 863 CB LYS A 61 14.831 -1.021 -1.026 1.00 10.00 C ATOM 864 CG LYS A 61 16.129 -0.542 -0.365 1.00 10.00 C ATOM 865 CD LYS A 61 17.305 -1.424 -0.812 1.00 10.00 C ATOM 866 CE LYS A 61 18.624 -0.858 -0.271 1.00 10.00 C ATOM 867 NZ LYS A 61 19.787 -1.644 -0.739 1.00 10.00 N ATOM 0 H LYS A 61 12.376 -0.507 0.558 1.00 10.00 H new ATOM 0 HA LYS A 61 14.117 0.998 -1.223 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.499 -1.939 -0.541 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.029 -1.265 -2.070 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.321 0.497 -0.633 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.029 -0.578 0.720 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.163 -2.443 -0.452 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.340 -1.472 -1.900 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.733 0.179 -0.589 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.600 -0.856 0.819 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 20.661 -1.233 -0.354 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.695 -2.628 -0.414 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 19.824 -1.625 -1.778 1.00 10.00 H new ATOM 881 N CYS A 62 12.794 -0.031 -3.223 1.00 10.00 N ATOM 882 CA CYS A 62 11.901 -0.398 -4.327 1.00 10.00 C ATOM 883 C CYS A 62 11.506 -1.875 -4.255 1.00 10.00 C ATOM 884 O CYS A 62 10.323 -2.215 -4.254 1.00 10.00 O ATOM 885 CB CYS A 62 12.566 -0.098 -5.652 1.00 10.00 C ATOM 886 SG CYS A 62 13.425 1.507 -5.674 1.00 10.00 S ATOM 0 H CYS A 62 13.605 0.506 -3.531 1.00 10.00 H new ATOM 0 HA CYS A 62 10.991 0.196 -4.239 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.281 -0.889 -5.880 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.813 -0.111 -6.440 1.00 10.00 H new ATOM 891 N GLY A 63 12.518 -2.740 -4.128 1.00 10.00 N ATOM 892 CA GLY A 63 12.378 -4.186 -3.995 1.00 10.00 C ATOM 893 C GLY A 63 11.579 -4.645 -2.767 1.00 10.00 C ATOM 894 O GLY A 63 11.124 -5.783 -2.723 1.00 10.00 O ATOM 0 H GLY A 63 13.492 -2.436 -4.115 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.894 -4.574 -4.891 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.372 -4.631 -3.951 1.00 10.00 H new ATOM 898 N GLY A 64 11.398 -3.771 -1.769 1.00 10.00 N ATOM 899 CA GLY A 64 10.499 -4.024 -0.648 1.00 10.00 C ATOM 900 C GLY A 64 9.025 -4.012 -1.070 1.00 10.00 C ATOM 901 O GLY A 64 8.184 -4.591 -0.390 1.00 10.00 O ATOM 0 H GLY A 64 11.873 -2.870 -1.721 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.739 -4.990 -0.203 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.660 -3.269 0.122 1.00 10.00 H new ATOM 905 N CYS A 65 8.714 -3.348 -2.190 1.00 10.00 N ATOM 906 CA CYS A 65 7.383 -3.335 -2.789 1.00 10.00 C ATOM 907 C CYS A 65 7.364 -4.150 -4.085 1.00 10.00 C ATOM 908 O CYS A 65 6.643 -5.133 -4.192 1.00 10.00 O ATOM 909 CB CYS A 65 6.940 -1.911 -3.011 1.00 10.00 C ATOM 910 SG CYS A 65 6.478 -1.127 -1.433 1.00 10.00 S ATOM 0 H CYS A 65 9.396 -2.796 -2.711 1.00 10.00 H new ATOM 0 HA CYS A 65 6.675 -3.806 -2.107 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.743 -1.345 -3.483 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.091 -1.891 -3.695 1.00 10.00 H new ATOM 915 N HIS A 66 8.144 -3.742 -5.083 1.00 10.00 N ATOM 916 CA HIS A 66 8.108 -4.332 -6.413 1.00 10.00 C ATOM 917 C HIS A 66 8.901 -5.651 -6.492 1.00 10.00 C ATOM 918 O HIS A 66 10.066 -5.688 -6.096 1.00 10.00 O ATOM 919 CB HIS A 66 8.645 -3.283 -7.391 1.00 10.00 C ATOM 920 CG HIS A 66 7.800 -2.047 -7.453 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.710 -1.903 -8.258 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.033 -0.838 -6.865 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.301 -0.629 -8.192 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.069 0.069 -7.345 1.00 10.00 N ATOM 0 H HIS A 66 8.823 -2.987 -4.988 1.00 10.00 H new ATOM 0 HA HIS A 66 7.084 -4.602 -6.671 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.658 -3.008 -7.099 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.708 -3.722 -8.386 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.279 -2.640 -8.816 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.818 -0.616 -6.157 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.468 -0.221 -8.745 1.00 10.00 H new ATOM 932 N ILE A 67 8.316 -6.713 -7.064 1.00 10.00 N ATOM 933 CA ILE A 67 9.065 -7.938 -7.376 1.00 10.00 C ATOM 934 C ILE A 67 10.281 -7.621 -8.266 1.00 10.00 C ATOM 935 O ILE A 67 10.220 -6.724 -9.109 1.00 10.00 O ATOM 936 CB ILE A 67 8.159 -9.003 -8.029 1.00 10.00 C ATOM 937 CG1 ILE A 67 6.872 -9.291 -7.236 1.00 10.00 C ATOM 938 CG2 ILE A 67 8.925 -10.319 -8.243 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.089 -9.585 -5.747 1.00 10.00 C ATOM 0 H ILE A 67 7.329 -6.748 -7.319 1.00 10.00 H new ATOM 0 HA ILE A 67 9.431 -8.354 -6.437 1.00 10.00 H new ATOM 0 HB ILE A 67 7.860 -8.580 -8.988 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.204 -8.434 -7.330 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.364 -10.142 -7.690 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.265 -11.053 -8.704 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.780 -10.140 -8.894 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.273 -10.698 -7.282 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.128 -9.776 -5.270 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.728 -10.461 -5.639 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.566 -8.727 -5.272 1.00 10.00 H new ATOM 951 N LYS A 68 11.390 -8.335 -8.052 1.00 10.00 N ATOM 952 CA LYS A 68 12.703 -8.071 -8.629 1.00 10.00 C ATOM 953 C LYS A 68 13.616 -9.287 -8.403 1.00 10.00 C ATOM 954 O LYS A 68 13.194 -10.166 -7.617 1.00 10.00 O ATOM 955 CB LYS A 68 13.293 -6.805 -7.993 1.00 10.00 C ATOM 956 CG LYS A 68 13.576 -7.043 -6.507 1.00 10.00 C ATOM 957 CD LYS A 68 15.079 -7.215 -6.257 1.00 10.00 C ATOM 958 CE LYS A 68 15.318 -7.792 -4.860 1.00 10.00 C ATOM 959 NZ LYS A 68 16.762 -7.970 -4.604 1.00 10.00 N ATOM 960 OXT LYS A 68 14.737 -9.284 -8.956 1.00 10.00 O ATOM 0 H LYS A 68 11.392 -9.152 -7.441 1.00 10.00 H new ATOM 0 HA LYS A 68 12.616 -7.906 -9.703 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.214 -6.526 -8.506 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.599 -5.973 -8.110 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.200 -6.204 -5.922 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.043 -7.932 -6.169 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.507 -7.876 -7.010 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.584 -6.254 -6.353 1.00 10.00 H new ATOM 0 HE2 LYS A 68 14.891 -7.127 -4.109 1.00 10.00 H new ATOM 0 HE3 LYS A 68 14.807 -8.750 -4.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.900 -8.362 -3.651 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.162 -8.623 -5.308 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.243 -7.050 -4.673 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.169 -1.645 1.085 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.103 -0.810 -2.032 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.180 -2.702 1.770 1.00 10.00 C HETATM 978 CHC HEC A 130 -7.959 -3.044 3.827 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.455 0.132 0.710 1.00 10.00 C HETATM 980 NA HEC A 130 -10.787 -1.716 0.091 1.00 10.00 N HETATM 981 C1A HEC A 130 -10.992 -1.347 -1.188 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.376 -1.574 -1.552 1.00 10.00 C HETATM 983 C3A HEC A 130 -12.984 -2.032 -0.421 1.00 10.00 C HETATM 984 C4A HEC A 130 -11.942 -2.171 0.566 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.446 -2.412 -0.283 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.042 -1.438 -2.913 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.442 -2.802 -3.500 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.360 -3.874 -3.291 1.00 10.00 C HETATM 989 O1A HEC A 130 -12.378 -4.607 -2.277 1.00 10.00 O HETATM 990 O2A HEC A 130 -11.396 -3.985 -4.079 1.00 10.00 O HETATM 991 NB HEC A 130 -9.916 -2.641 2.523 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.199 -2.940 2.642 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.441 -3.639 3.881 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.216 -3.792 4.474 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.277 -3.130 3.589 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.784 -4.143 4.381 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.906 -4.596 5.730 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.141 -6.098 5.519 1.00 10.00 C HETATM 999 NC HEC A 130 -7.550 -1.535 2.013 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.196 -2.226 3.095 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.808 -1.974 3.401 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.461 -0.900 2.635 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.543 -0.731 1.707 1.00 10.00 C HETATM 1004 CMC HEC A 130 -4.900 -2.747 4.333 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.323 0.078 2.863 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.939 -0.417 2.468 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.452 -0.534 -0.347 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.321 0.128 -0.269 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.032 0.812 -1.496 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.050 0.486 -2.342 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.953 -0.338 -1.567 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.768 1.581 -1.822 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.184 0.942 -3.776 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.522 0.009 -4.796 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.750 0.465 -6.250 1.00 10.00 C HETATM 1016 O1D HEC A 130 -8.853 0.996 -6.520 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.819 0.251 -7.064 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.643 2.395 -1.108 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.910 0.912 -1.763 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.840 1.990 -2.830 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.312 -2.727 5.342 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -4.823 -3.780 3.993 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -3.910 -2.292 4.336 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.471 -3.303 4.489 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.194 -4.857 3.666 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.653 -4.631 5.347 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.070 -1.547 -0.510 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.679 -3.220 -0.977 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.641 -2.743 0.737 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.451 -0.039 -4.598 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -7.915 -1.000 -4.669 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.694 -1.310 3.043 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.928 -0.656 1.405 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.202 0.360 2.673 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.184 -6.269 5.253 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.498 -6.458 4.716 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.908 -6.635 6.438 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.372 -3.134 -3.038 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.638 -2.691 -4.567 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.243 1.035 -4.019 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.747 1.936 -3.872 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.928 -0.809 -2.822 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.363 -0.933 -3.600 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.645 0.861 0.704 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.509 -3.643 4.619 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.205 -2.947 2.047 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.323 -0.760 -3.098 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.292 -0.519 -6.763 1.00 10.00 H new HETATM 0 H2A HEC A 130 -11.620 -4.632 -4.780 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.439 -1.986 3.515 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.114 -4.573 4.793 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.223 -2.917 0.471 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.350 0.291 2.372 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.104 -0.707 6.593 1.00 10.00 C HETATM 1055 NA HEC A 153 3.450 -3.437 2.784 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.044 -4.426 3.468 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.754 -5.297 2.560 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.504 -4.817 1.306 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.689 -3.637 1.491 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.949 -5.457 0.004 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.804 -6.332 2.918 1.00 10.00 C HETATM 1062 CBA HEC A 153 7.161 -5.663 3.213 1.00 10.00 C HETATM 1063 CGA HEC A 153 8.324 -6.630 3.497 1.00 10.00 C HETATM 1064 O1A HEC A 153 9.471 -6.132 3.557 1.00 10.00 O HETATM 1065 O2A HEC A 153 8.053 -7.841 3.660 1.00 10.00 O HETATM 1066 NB HEC A 153 1.915 -1.413 1.791 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.367 -1.899 0.646 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.773 -1.188 -0.466 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.867 -0.310 0.070 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.026 -0.460 1.507 1.00 10.00 C HETATM 1071 CMB HEC A 153 2.090 -1.396 -1.930 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.180 0.551 -0.666 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.155 0.604 -2.197 1.00 10.00 C HETATM 1074 NC HEC A 153 1.397 -0.537 4.324 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.573 0.270 3.681 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.030 1.227 4.589 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.503 0.947 5.818 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.414 -0.157 5.600 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.982 2.370 4.260 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.191 1.598 7.165 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.126 2.373 7.316 1.00 10.00 C HETATM 1082 ND HEC A 153 2.983 -2.527 5.299 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.775 -1.841 6.425 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.352 -2.534 7.549 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.811 -3.718 7.055 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.645 -3.639 5.621 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.371 -2.091 9.001 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.300 -4.883 7.889 1.00 10.00 C HETATM 1089 CBD HEC A 153 5.774 -4.787 8.324 1.00 10.00 C HETATM 1090 CGD HEC A 153 6.152 -5.800 9.423 1.00 10.00 C HETATM 1091 O1D HEC A 153 7.357 -5.924 9.720 1.00 10.00 O HETATM 1092 O2D HEC A 153 5.215 -6.439 9.965 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.893 -1.138 9.084 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.348 -1.977 9.360 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.885 -2.840 9.603 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.497 3.061 3.570 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.885 1.970 3.798 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.247 2.898 5.176 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 3.147 -1.195 -2.106 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.866 -2.426 -2.208 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.486 -0.718 -2.533 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.037 -5.522 -0.016 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.524 -6.458 -0.073 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.606 -4.852 -0.835 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 6.413 -4.948 7.456 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 5.974 -3.778 8.685 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.150 3.193 6.598 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.966 1.703 7.130 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.199 2.773 8.327 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.805 0.997 -2.532 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.296 -0.400 -2.598 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.956 1.253 -2.552 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.431 -5.036 2.363 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 7.042 -5.002 4.071 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 3.677 -4.962 8.780 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.162 -5.803 7.321 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 5.478 -6.900 3.789 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 5.915 -7.041 2.098 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.120 -0.217 7.567 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.424 0.955 1.988 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.548 -3.164 -0.540 1.00 10.00 H new HETATM 0 HHA HEC A 153 4.564 -5.475 5.207 1.00 10.00 H new HETATM 0 H2D HEC A 153 5.582 -7.198 10.464 1.00 10.00 H new HETATM 0 H2A HEC A 153 8.875 -8.371 3.601 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.882 2.005 -7.074 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.563 2.633 -9.352 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.256 2.103 -9.311 1.00 10.00 C HETATM 1128 CHC HEC A 166 9.059 2.376 -4.638 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.598 0.886 -4.986 1.00 10.00 C HETATM 1130 NA HEC A 166 6.907 2.312 -8.918 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.859 2.634 -9.691 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.328 2.959 -11.023 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.669 2.711 -11.023 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.994 2.305 -9.681 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.650 3.036 -12.136 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.576 3.570 -12.186 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.518 2.687 -13.453 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.330 3.490 -14.757 1.00 10.00 C HETATM 1139 O1A HEC A 166 5.336 4.746 -14.676 1.00 10.00 O HETATM 1140 O2A HEC A 166 5.237 2.851 -15.826 1.00 10.00 O HETATM 1141 NB HEC A 166 8.770 2.178 -6.987 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.587 2.143 -8.026 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.952 2.338 -7.605 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.902 2.491 -6.244 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.501 2.368 -5.896 1.00 10.00 C HETATM 1146 CMB HEC A 166 12.158 2.499 -8.516 1.00 10.00 C HETATM 1147 CAB HEC A 166 12.085 2.669 -5.298 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.644 4.096 -5.298 1.00 10.00 C HETATM 1149 NC HEC A 166 6.835 1.718 -5.210 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.828 1.944 -4.363 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.454 1.563 -3.024 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.208 1.009 -3.134 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.821 1.191 -4.522 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.357 1.574 -1.800 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.459 0.244 -2.051 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.932 1.098 -0.891 1.00 10.00 C HETATM 1157 ND HEC A 166 4.946 1.783 -7.170 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.200 1.257 -6.208 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.818 1.206 -6.635 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.776 1.720 -7.900 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.147 2.110 -8.198 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.595 0.752 -5.859 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.481 1.751 -8.723 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.495 1.568 -10.255 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.661 2.866 -11.080 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.254 3.952 -10.601 1.00 10.00 O HETATM 1167 O2D HEC A 166 2.314 2.784 -12.140 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.720 -0.289 -5.560 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.476 1.373 -4.971 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.710 0.845 -6.488 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.204 0.909 -1.967 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.720 2.587 -1.625 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.795 1.234 -0.930 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.266 1.610 -9.138 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 12.019 3.372 -9.153 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 13.056 2.630 -7.912 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.354 2.513 -13.046 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.650 4.111 -12.319 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.651 2.718 -11.843 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.306 0.887 -10.515 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.565 1.085 -10.554 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.767 1.596 -0.397 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.240 1.847 -1.276 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.415 0.460 -0.175 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.982 4.354 -6.302 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.865 4.792 -4.987 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.483 4.158 -4.605 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.438 2.106 -13.523 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.698 1.976 -13.353 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.829 0.977 -8.317 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 1.001 2.709 -8.523 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.557 3.791 -11.867 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 6.043 4.521 -12.443 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.914 0.323 -4.352 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.703 2.735 -3.836 1.00 10.00 H new HETATM 0 HHB HEC A 166 10.019 1.904 -10.064 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.833 3.069 -10.034 1.00 10.00 H new HETATM 0 H2D HEC A 166 2.242 3.627 -12.635 1.00 10.00 H new HETATM 0 H2A HEC A 166 4.933 3.450 -16.540 1.00 10.00 H new