USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=17 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 NoAdj-H: A 166 HEC H2D : A 166 HEC O2D : A 166 HEC CGD :(short bond) USER MOD Set 1.1: A 56 ASN : amide:sc= 1.08 K(o=2,f=0.74) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.362! X(o=2!,f=2) USER MOD Set 1.3: A 153 HEC O2D : rot 61:sc= 0.546 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.659 K(o=0.66,f=-3.4!) USER MOD Single : A 12 ASN : amide:sc= 0.449 K(o=0.45,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 1 (180deg=0.549) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.21) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.0885 (180deg=-0.96!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -176:sc= 1.74 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 1.16 (180deg=0.682) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 168:sc= 0.989 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -43:sc= 0.0886 USER MOD Single : A 60 THR OG1 : rot -50:sc= 0.136 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 130 HEC O2A : rot 178:sc= -0.057 USER MOD Single : A 130 HEC O2D : rot 168:sc= 0 USER MOD Single : A 153 HEC O2A : rot 180:sc= 0 USER MOD Single : A 166 HEC O2A : rot 167:sc= 0.701 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.788 -10.317 -2.424 1.00 10.00 N ATOM 2 CA ALA A 1 -10.443 -9.166 -1.557 1.00 10.00 C ATOM 3 C ALA A 1 -9.229 -9.456 -0.652 1.00 10.00 C ATOM 4 O ALA A 1 -9.331 -9.383 0.568 1.00 10.00 O ATOM 5 CB ALA A 1 -11.674 -8.732 -0.751 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.610 -10.074 -3.013 1.00 10.00 H new ATOM 0 H2 ALA A 1 -9.979 -10.546 -3.036 1.00 10.00 H new ATOM 0 H3 ALA A 1 -11.018 -11.141 -1.832 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.142 -8.337 -2.198 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -11.413 -7.885 -0.116 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.472 -8.441 -1.434 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -12.013 -9.561 -0.130 1.00 10.00 H new ATOM 13 N ASP A 2 -8.090 -9.787 -1.270 1.00 10.00 N ATOM 14 CA ASP A 2 -6.786 -9.929 -0.632 1.00 10.00 C ATOM 15 C ASP A 2 -5.715 -9.875 -1.737 1.00 10.00 C ATOM 16 O ASP A 2 -6.088 -9.940 -2.910 1.00 10.00 O ATOM 17 CB ASP A 2 -6.697 -11.245 0.149 1.00 10.00 C ATOM 18 CG ASP A 2 -5.490 -11.270 1.081 1.00 10.00 C ATOM 19 OD1 ASP A 2 -4.883 -10.188 1.286 1.00 10.00 O ATOM 20 OD2 ASP A 2 -5.206 -12.369 1.593 1.00 10.00 O ATOM 0 H ASP A 2 -8.055 -9.970 -2.273 1.00 10.00 H new ATOM 0 HA ASP A 2 -6.630 -9.123 0.085 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.608 -11.385 0.731 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -6.634 -12.079 -0.550 1.00 10.00 H new ATOM 25 N VAL A 3 -4.435 -9.772 -1.362 1.00 10.00 N ATOM 26 CA VAL A 3 -3.248 -9.802 -2.235 1.00 10.00 C ATOM 27 C VAL A 3 -3.530 -9.330 -3.674 1.00 10.00 C ATOM 28 O VAL A 3 -3.354 -10.055 -4.652 1.00 10.00 O ATOM 29 CB VAL A 3 -2.568 -11.188 -2.182 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.158 -11.161 -2.790 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.414 -11.692 -0.741 1.00 10.00 C ATOM 0 H VAL A 3 -4.181 -9.658 -0.381 1.00 10.00 H new ATOM 0 HA VAL A 3 -2.544 -9.069 -1.840 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.219 -11.848 -2.755 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -0.717 -12.156 -2.732 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.218 -10.851 -3.833 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.537 -10.456 -2.237 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.932 -12.669 -0.747 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.804 -10.990 -0.173 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.397 -11.775 -0.278 1.00 10.00 H new ATOM 41 N VAL A 4 -3.974 -8.081 -3.805 1.00 10.00 N ATOM 42 CA VAL A 4 -4.321 -7.502 -5.094 1.00 10.00 C ATOM 43 C VAL A 4 -3.031 -7.102 -5.829 1.00 10.00 C ATOM 44 O VAL A 4 -2.443 -6.046 -5.590 1.00 10.00 O ATOM 45 CB VAL A 4 -5.345 -6.364 -4.920 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.677 -5.698 -6.261 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.651 -6.872 -4.295 1.00 10.00 C ATOM 0 H VAL A 4 -4.102 -7.445 -3.018 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.823 -8.233 -5.728 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.883 -5.635 -4.255 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.402 -4.900 -6.101 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.768 -5.281 -6.695 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.097 -6.439 -6.941 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.350 -6.042 -4.187 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.090 -7.635 -4.938 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.443 -7.301 -3.315 1.00 10.00 H new ATOM 57 N THR A 5 -2.555 -7.990 -6.698 1.00 10.00 N ATOM 58 CA THR A 5 -1.416 -7.764 -7.587 1.00 10.00 C ATOM 59 C THR A 5 -1.677 -6.641 -8.599 1.00 10.00 C ATOM 60 O THR A 5 -2.499 -6.781 -9.500 1.00 10.00 O ATOM 61 CB THR A 5 -1.061 -9.093 -8.280 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.347 -9.899 -7.369 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.202 -8.941 -9.534 1.00 10.00 C ATOM 0 H THR A 5 -2.964 -8.918 -6.807 1.00 10.00 H new ATOM 0 HA THR A 5 -0.566 -7.427 -6.994 1.00 10.00 H new ATOM 0 HB THR A 5 -2.008 -9.535 -8.591 1.00 10.00 H new ATOM 0 HG1 THR A 5 -0.116 -10.750 -7.797 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.001 -9.925 -9.958 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.732 -8.332 -10.267 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.739 -8.457 -9.274 1.00 10.00 H new ATOM 71 N TYR A 6 -0.920 -5.544 -8.474 1.00 10.00 N ATOM 72 CA TYR A 6 -0.732 -4.548 -9.527 1.00 10.00 C ATOM 73 C TYR A 6 0.565 -4.861 -10.267 1.00 10.00 C ATOM 74 O TYR A 6 1.639 -4.752 -9.670 1.00 10.00 O ATOM 75 CB TYR A 6 -0.635 -3.145 -8.925 1.00 10.00 C ATOM 76 CG TYR A 6 -1.963 -2.434 -8.753 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.982 -3.044 -7.999 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.085 -1.083 -9.120 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.040 -2.271 -7.489 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.156 -0.315 -8.630 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.110 -0.902 -7.783 1.00 10.00 C ATOM 82 OH TYR A 6 -5.075 -0.132 -7.210 1.00 10.00 O ATOM 0 H TYR A 6 -0.412 -5.323 -7.618 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.582 -4.581 -10.208 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.148 -3.215 -7.953 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.008 -2.536 -9.560 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.952 -4.107 -7.812 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.356 -0.635 -9.779 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.797 -2.731 -6.872 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.245 0.726 -8.905 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.306 -0.498 -6.331 1.00 10.00 H new ATOM 92 N GLU A 7 0.442 -5.251 -11.537 1.00 10.00 N ATOM 93 CA GLU A 7 1.524 -5.582 -12.451 1.00 10.00 C ATOM 94 C GLU A 7 2.032 -4.309 -13.139 1.00 10.00 C ATOM 95 O GLU A 7 1.261 -3.620 -13.802 1.00 10.00 O ATOM 96 CB GLU A 7 1.013 -6.590 -13.495 1.00 10.00 C ATOM 97 CG GLU A 7 -0.006 -7.597 -12.952 1.00 10.00 C ATOM 98 CD GLU A 7 -0.359 -8.669 -13.972 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.859 -8.283 -15.048 1.00 10.00 O ATOM 100 OE2 GLU A 7 -0.109 -9.849 -13.648 1.00 10.00 O ATOM 0 H GLU A 7 -0.473 -5.348 -11.976 1.00 10.00 H new ATOM 0 HA GLU A 7 2.350 -6.028 -11.898 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.560 -6.042 -14.321 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.864 -7.136 -13.903 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.396 -8.070 -12.056 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.912 -7.069 -12.655 1.00 10.00 H new ATOM 107 N ASN A 8 3.315 -3.980 -12.963 1.00 10.00 N ATOM 108 CA ASN A 8 3.892 -2.717 -13.411 1.00 10.00 C ATOM 109 C ASN A 8 5.267 -3.026 -14.004 1.00 10.00 C ATOM 110 O ASN A 8 5.959 -3.913 -13.503 1.00 10.00 O ATOM 111 CB ASN A 8 3.980 -1.726 -12.233 1.00 10.00 C ATOM 112 CG ASN A 8 2.973 -2.048 -11.132 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.775 -1.849 -11.274 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.428 -2.642 -10.041 1.00 10.00 N ATOM 0 H ASN A 8 3.987 -4.592 -12.500 1.00 10.00 H new ATOM 0 HA ASN A 8 3.269 -2.245 -14.170 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.988 -1.746 -11.818 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.805 -0.714 -12.598 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.778 -2.937 -9.312 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.429 -2.805 -9.929 1.00 10.00 H new ATOM 121 N ALA A 9 5.684 -2.304 -15.042 1.00 10.00 N ATOM 122 CA ALA A 9 6.961 -2.507 -15.725 1.00 10.00 C ATOM 123 C ALA A 9 8.161 -2.415 -14.771 1.00 10.00 C ATOM 124 O ALA A 9 9.201 -3.022 -15.009 1.00 10.00 O ATOM 125 CB ALA A 9 7.079 -1.479 -16.850 1.00 10.00 C ATOM 0 H ALA A 9 5.132 -1.545 -15.441 1.00 10.00 H new ATOM 0 HA ALA A 9 6.978 -3.517 -16.133 1.00 10.00 H new ATOM 0 HB1 ALA A 9 8.027 -1.616 -17.370 1.00 10.00 H new ATOM 0 HB2 ALA A 9 6.257 -1.613 -17.553 1.00 10.00 H new ATOM 0 HB3 ALA A 9 7.038 -0.474 -16.430 1.00 10.00 H new ATOM 131 N ALA A 10 8.007 -1.664 -13.674 1.00 10.00 N ATOM 132 CA ALA A 10 9.021 -1.524 -12.634 1.00 10.00 C ATOM 133 C ALA A 10 9.096 -2.731 -11.682 1.00 10.00 C ATOM 134 O ALA A 10 10.055 -2.836 -10.921 1.00 10.00 O ATOM 135 CB ALA A 10 8.741 -0.240 -11.852 1.00 10.00 C ATOM 0 H ALA A 10 7.159 -1.130 -13.485 1.00 10.00 H new ATOM 0 HA ALA A 10 9.994 -1.476 -13.123 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.490 -0.120 -11.070 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.782 0.614 -12.528 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.751 -0.298 -11.400 1.00 10.00 H new ATOM 141 N GLY A 11 8.082 -3.606 -11.685 1.00 10.00 N ATOM 142 CA GLY A 11 7.934 -4.709 -10.738 1.00 10.00 C ATOM 143 C GLY A 11 6.517 -4.734 -10.171 1.00 10.00 C ATOM 144 O GLY A 11 6.014 -3.683 -9.771 1.00 10.00 O ATOM 0 H GLY A 11 7.324 -3.562 -12.366 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.151 -5.655 -11.234 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.655 -4.601 -9.928 1.00 10.00 H new ATOM 148 N ASN A 12 5.849 -5.892 -10.095 1.00 10.00 N ATOM 149 CA ASN A 12 4.552 -5.950 -9.416 1.00 10.00 C ATOM 150 C ASN A 12 4.698 -5.645 -7.918 1.00 10.00 C ATOM 151 O ASN A 12 5.767 -5.857 -7.350 1.00 10.00 O ATOM 152 CB ASN A 12 3.762 -7.254 -9.625 1.00 10.00 C ATOM 153 CG ASN A 12 4.162 -8.088 -10.843 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.338 -8.314 -11.107 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.193 -8.592 -11.589 1.00 10.00 N ATOM 0 H ASN A 12 6.174 -6.777 -10.484 1.00 10.00 H new ATOM 0 HA ASN A 12 3.957 -5.173 -9.896 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.874 -7.871 -8.733 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.704 -7.006 -9.710 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.420 -9.176 -12.394 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.219 -8.397 -11.359 1.00 10.00 H new ATOM 162 N VAL A 13 3.627 -5.142 -7.297 1.00 10.00 N ATOM 163 CA VAL A 13 3.674 -4.599 -5.929 1.00 10.00 C ATOM 164 C VAL A 13 3.007 -5.455 -4.844 1.00 10.00 C ATOM 165 O VAL A 13 3.558 -5.578 -3.755 1.00 10.00 O ATOM 166 CB VAL A 13 3.213 -3.134 -5.906 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.765 -3.023 -6.353 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.349 -2.517 -4.510 1.00 10.00 C ATOM 0 H VAL A 13 2.702 -5.098 -7.725 1.00 10.00 H new ATOM 0 HA VAL A 13 4.726 -4.636 -5.645 1.00 10.00 H new ATOM 0 HB VAL A 13 3.858 -2.587 -6.594 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.456 -1.978 -6.330 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.667 -3.408 -7.368 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.132 -3.603 -5.682 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.013 -1.480 -4.536 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.739 -3.079 -3.803 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.392 -2.552 -4.197 1.00 10.00 H new ATOM 178 N THR A 14 1.828 -6.021 -5.123 1.00 10.00 N ATOM 179 CA THR A 14 1.023 -6.787 -4.166 1.00 10.00 C ATOM 180 C THR A 14 0.413 -5.898 -3.072 1.00 10.00 C ATOM 181 O THR A 14 1.089 -5.445 -2.157 1.00 10.00 O ATOM 182 CB THR A 14 1.778 -8.027 -3.634 1.00 10.00 C ATOM 183 OG1 THR A 14 1.497 -9.117 -4.488 1.00 10.00 O ATOM 184 CG2 THR A 14 1.396 -8.443 -2.209 1.00 10.00 C ATOM 0 H THR A 14 1.396 -5.957 -6.045 1.00 10.00 H new ATOM 0 HA THR A 14 0.166 -7.188 -4.707 1.00 10.00 H new ATOM 0 HB THR A 14 2.833 -7.756 -3.613 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.969 -9.914 -4.168 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.974 -9.320 -1.919 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.609 -7.624 -1.522 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.333 -8.681 -2.172 1.00 10.00 H new ATOM 192 N PHE A 15 -0.895 -5.649 -3.178 1.00 10.00 N ATOM 193 CA PHE A 15 -1.694 -4.985 -2.148 1.00 10.00 C ATOM 194 C PHE A 15 -2.363 -6.012 -1.227 1.00 10.00 C ATOM 195 O PHE A 15 -3.392 -6.591 -1.577 1.00 10.00 O ATOM 196 CB PHE A 15 -2.767 -4.130 -2.816 1.00 10.00 C ATOM 197 CG PHE A 15 -2.282 -2.860 -3.465 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.580 -2.916 -4.682 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.730 -1.626 -2.970 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.386 -1.747 -5.430 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.594 -0.472 -3.754 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.984 -0.552 -5.018 1.00 10.00 C ATOM 0 H PHE A 15 -1.439 -5.910 -4.001 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.035 -4.359 -1.547 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.268 -4.734 -3.572 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.516 -3.871 -2.068 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -1.191 -3.858 -5.040 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.178 -1.565 -1.989 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.777 -1.769 -6.322 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -2.957 0.477 -3.388 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.977 0.309 -5.670 1.00 10.00 H new ATOM 212 N ASP A 16 -1.801 -6.222 -0.040 1.00 10.00 N ATOM 213 CA ASP A 16 -2.192 -7.252 0.909 1.00 10.00 C ATOM 214 C ASP A 16 -3.557 -6.966 1.569 1.00 10.00 C ATOM 215 O ASP A 16 -3.642 -6.755 2.776 1.00 10.00 O ATOM 216 CB ASP A 16 -1.035 -7.291 1.921 1.00 10.00 C ATOM 217 CG ASP A 16 0.314 -7.475 1.257 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.832 -6.432 0.802 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.780 -8.631 1.208 1.00 10.00 O ATOM 0 H ASP A 16 -1.026 -5.652 0.299 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.344 -8.218 0.427 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.029 -6.365 2.496 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.202 -8.104 2.627 1.00 10.00 H new ATOM 224 N HIS A 17 -4.645 -6.935 0.795 1.00 10.00 N ATOM 225 CA HIS A 17 -5.902 -6.334 1.237 1.00 10.00 C ATOM 226 C HIS A 17 -6.402 -6.954 2.539 1.00 10.00 C ATOM 227 O HIS A 17 -6.869 -6.249 3.432 1.00 10.00 O ATOM 228 CB HIS A 17 -6.972 -6.435 0.140 1.00 10.00 C ATOM 229 CG HIS A 17 -7.729 -5.147 -0.058 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.077 -4.559 -1.252 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.138 -4.307 0.944 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.697 -3.411 -0.949 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.711 -3.169 0.374 1.00 10.00 N ATOM 0 H HIS A 17 -4.678 -7.323 -0.148 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.706 -5.280 1.432 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.497 -6.720 -0.799 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.674 -7.228 0.396 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.898 -4.926 -2.187 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.034 -4.495 2.002 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.136 -2.753 -1.685 1.00 10.00 H new ATOM 241 N LYS A 18 -6.256 -8.275 2.642 1.00 10.00 N ATOM 242 CA LYS A 18 -6.485 -8.990 3.886 1.00 10.00 C ATOM 243 C LYS A 18 -5.191 -9.064 4.700 1.00 10.00 C ATOM 244 O LYS A 18 -5.168 -8.654 5.853 1.00 10.00 O ATOM 245 CB LYS A 18 -7.030 -10.386 3.604 1.00 10.00 C ATOM 246 CG LYS A 18 -7.914 -10.922 4.737 1.00 10.00 C ATOM 247 CD LYS A 18 -7.925 -12.457 4.659 1.00 10.00 C ATOM 248 CE LYS A 18 -9.015 -13.110 5.519 1.00 10.00 C ATOM 249 NZ LYS A 18 -8.954 -12.667 6.927 1.00 10.00 N ATOM 0 H LYS A 18 -5.976 -8.873 1.865 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.227 -8.448 4.472 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.606 -10.365 2.679 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.197 -11.071 3.445 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.532 -10.594 5.704 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.927 -10.530 4.645 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.064 -12.758 3.621 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.952 -12.835 4.973 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.994 -12.869 5.106 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.909 -14.194 5.476 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.379 -13.393 7.538 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.962 -12.521 7.202 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.478 -11.775 7.033 1.00 10.00 H new ATOM 263 N ALA A 19 -4.110 -9.597 4.125 1.00 10.00 N ATOM 264 CA ALA A 19 -2.903 -9.951 4.875 1.00 10.00 C ATOM 265 C ALA A 19 -2.259 -8.783 5.641 1.00 10.00 C ATOM 266 O ALA A 19 -1.656 -9.007 6.696 1.00 10.00 O ATOM 267 CB ALA A 19 -1.912 -10.622 3.929 1.00 10.00 C ATOM 0 H ALA A 19 -4.047 -9.795 3.126 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.205 -10.645 5.659 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.009 -10.890 4.478 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.362 -11.522 3.509 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.656 -9.935 3.123 1.00 10.00 H new ATOM 273 N HIS A 20 -2.406 -7.547 5.152 1.00 10.00 N ATOM 274 CA HIS A 20 -2.116 -6.338 5.915 1.00 10.00 C ATOM 275 C HIS A 20 -3.196 -6.109 6.990 1.00 10.00 C ATOM 276 O HIS A 20 -2.884 -6.006 8.176 1.00 10.00 O ATOM 277 CB HIS A 20 -1.965 -5.117 4.976 1.00 10.00 C ATOM 278 CG HIS A 20 -0.591 -4.491 4.891 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.580 -5.111 5.242 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.260 -3.277 4.327 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.581 -4.277 4.932 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.132 -3.144 4.361 1.00 10.00 N ATOM 0 H HIS A 20 -2.734 -7.361 4.204 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.163 -6.467 6.428 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.263 -5.421 3.973 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.669 -4.350 5.299 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.672 -6.036 5.662 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.956 -2.554 3.928 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.624 -4.488 5.118 1.00 10.00 H new ATOM 290 N ALA A 21 -4.471 -6.057 6.588 1.00 10.00 N ATOM 291 CA ALA A 21 -5.624 -5.863 7.474 1.00 10.00 C ATOM 292 C ALA A 21 -5.642 -6.774 8.705 1.00 10.00 C ATOM 293 O ALA A 21 -6.029 -6.332 9.782 1.00 10.00 O ATOM 294 CB ALA A 21 -6.915 -6.084 6.701 1.00 10.00 C ATOM 0 H ALA A 21 -4.737 -6.152 5.608 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.536 -4.839 7.836 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.767 -5.938 7.366 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.972 -5.373 5.877 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.933 -7.100 6.306 1.00 10.00 H new ATOM 300 N GLU A 22 -5.212 -8.027 8.558 1.00 10.00 N ATOM 301 CA GLU A 22 -4.971 -8.962 9.652 1.00 10.00 C ATOM 302 C GLU A 22 -4.315 -8.276 10.872 1.00 10.00 C ATOM 303 O GLU A 22 -4.630 -8.590 12.017 1.00 10.00 O ATOM 304 CB GLU A 22 -4.064 -10.079 9.111 1.00 10.00 C ATOM 305 CG GLU A 22 -4.736 -11.056 8.134 1.00 10.00 C ATOM 306 CD GLU A 22 -5.781 -11.948 8.780 1.00 10.00 C ATOM 307 OE1 GLU A 22 -5.429 -12.621 9.768 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.907 -11.974 8.237 1.00 10.00 O ATOM 0 H GLU A 22 -5.016 -8.431 7.642 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.922 -9.363 10.002 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.210 -9.621 8.611 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.672 -10.647 9.955 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.204 -10.487 7.331 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.970 -11.682 7.677 1.00 10.00 H new ATOM 315 N LYS A 23 -3.385 -7.347 10.615 1.00 10.00 N ATOM 316 CA LYS A 23 -2.686 -6.535 11.598 1.00 10.00 C ATOM 317 C LYS A 23 -3.310 -5.127 11.669 1.00 10.00 C ATOM 318 O LYS A 23 -3.536 -4.588 12.748 1.00 10.00 O ATOM 319 CB LYS A 23 -1.209 -6.430 11.178 1.00 10.00 C ATOM 320 CG LYS A 23 -0.402 -7.742 11.173 1.00 10.00 C ATOM 321 CD LYS A 23 -0.911 -8.719 10.102 1.00 10.00 C ATOM 322 CE LYS A 23 0.125 -9.745 9.639 1.00 10.00 C ATOM 323 NZ LYS A 23 -0.435 -10.567 8.544 1.00 10.00 N ATOM 0 H LYS A 23 -3.090 -7.137 9.662 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.767 -6.996 12.582 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.168 -6.001 10.177 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.713 -5.727 11.847 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.650 -7.521 10.993 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.466 -8.212 12.154 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -1.779 -9.249 10.494 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.250 -8.148 9.238 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.027 -9.236 9.299 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.415 -10.384 10.473 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 0.340 -10.944 7.961 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -0.981 -11.356 8.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.058 -9.980 7.953 1.00 10.00 H new ATOM 337 N LEU A 24 -3.545 -4.515 10.502 1.00 10.00 N ATOM 338 CA LEU A 24 -3.871 -3.096 10.347 1.00 10.00 C ATOM 339 C LEU A 24 -5.366 -2.743 10.507 1.00 10.00 C ATOM 340 O LEU A 24 -5.720 -1.569 10.568 1.00 10.00 O ATOM 341 CB LEU A 24 -3.337 -2.635 8.982 1.00 10.00 C ATOM 342 CG LEU A 24 -1.825 -2.806 8.761 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.463 -2.190 7.406 1.00 10.00 C ATOM 344 CD2 LEU A 24 -0.991 -2.116 9.846 1.00 10.00 C ATOM 0 H LEU A 24 -3.512 -5.012 9.612 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.390 -2.564 11.168 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.863 -3.186 8.203 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.587 -1.582 8.852 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.601 -3.872 8.797 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.393 -2.301 7.230 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.015 -2.699 6.616 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.723 -1.131 7.407 1.00 10.00 H new ATOM 0 HD21 LEU A 24 0.069 -2.268 9.642 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.210 -1.048 9.850 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.237 -2.540 10.819 1.00 10.00 H new ATOM 356 N GLY A 25 -6.264 -3.729 10.560 1.00 10.00 N ATOM 357 CA GLY A 25 -7.683 -3.554 10.888 1.00 10.00 C ATOM 358 C GLY A 25 -8.449 -2.530 10.040 1.00 10.00 C ATOM 359 O GLY A 25 -9.262 -1.780 10.571 1.00 10.00 O ATOM 0 H GLY A 25 -6.018 -4.701 10.370 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.179 -4.520 10.792 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.760 -3.259 11.935 1.00 10.00 H new ATOM 363 N CYS A 26 -8.199 -2.517 8.725 1.00 10.00 N ATOM 364 CA CYS A 26 -8.851 -1.695 7.696 1.00 10.00 C ATOM 365 C CYS A 26 -8.602 -0.187 7.850 1.00 10.00 C ATOM 366 O CYS A 26 -8.051 0.437 6.944 1.00 10.00 O ATOM 367 CB CYS A 26 -10.332 -1.975 7.580 1.00 10.00 C ATOM 368 SG CYS A 26 -10.813 -3.732 7.490 1.00 10.00 S ATOM 0 H CYS A 26 -7.485 -3.124 8.323 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.371 -2.000 6.766 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.834 -1.526 8.437 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.708 -1.471 6.690 1.00 10.00 H new ATOM 373 N ASP A 27 -9.004 0.414 8.973 1.00 10.00 N ATOM 374 CA ASP A 27 -9.009 1.859 9.191 1.00 10.00 C ATOM 375 C ASP A 27 -7.607 2.467 9.383 1.00 10.00 C ATOM 376 O ASP A 27 -7.427 3.678 9.451 1.00 10.00 O ATOM 377 CB ASP A 27 -9.988 2.188 10.323 1.00 10.00 C ATOM 378 CG ASP A 27 -11.426 1.963 9.884 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.814 2.589 8.872 1.00 10.00 O ATOM 380 OD2 ASP A 27 -12.113 1.178 10.567 1.00 10.00 O ATOM 0 H ASP A 27 -9.345 -0.110 9.779 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.360 2.343 8.280 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.768 1.566 11.191 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.857 3.225 10.632 1.00 10.00 H new ATOM 385 N ALA A 28 -6.575 1.627 9.361 1.00 10.00 N ATOM 386 CA ALA A 28 -5.223 2.052 9.028 1.00 10.00 C ATOM 387 C ALA A 28 -5.129 2.687 7.627 1.00 10.00 C ATOM 388 O ALA A 28 -4.357 3.621 7.425 1.00 10.00 O ATOM 389 CB ALA A 28 -4.360 0.802 9.096 1.00 10.00 C ATOM 0 H ALA A 28 -6.655 0.633 9.574 1.00 10.00 H new ATOM 0 HA ALA A 28 -4.894 2.822 9.725 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.329 1.058 8.854 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.404 0.384 10.102 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -4.728 0.066 8.381 1.00 10.00 H new ATOM 395 N CYS A 29 -5.884 2.161 6.653 1.00 10.00 N ATOM 396 CA CYS A 29 -5.867 2.586 5.250 1.00 10.00 C ATOM 397 C CYS A 29 -7.169 3.300 4.848 1.00 10.00 C ATOM 398 O CYS A 29 -7.316 3.756 3.716 1.00 10.00 O ATOM 399 CB CYS A 29 -5.719 1.368 4.378 1.00 10.00 C ATOM 400 SG CYS A 29 -4.113 0.509 4.531 1.00 10.00 S ATOM 0 H CYS A 29 -6.544 1.403 6.828 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.036 3.280 5.123 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.516 0.665 4.621 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -5.860 1.663 3.338 1.00 10.00 H new ATOM 405 N HIS A 30 -8.146 3.339 5.750 1.00 10.00 N ATOM 406 CA HIS A 30 -9.517 3.724 5.480 1.00 10.00 C ATOM 407 C HIS A 30 -10.067 4.556 6.648 1.00 10.00 C ATOM 408 O HIS A 30 -9.404 4.685 7.672 1.00 10.00 O ATOM 409 CB HIS A 30 -10.285 2.418 5.214 1.00 10.00 C ATOM 410 CG HIS A 30 -9.984 1.760 3.892 1.00 10.00 C ATOM 411 ND1 HIS A 30 -9.881 2.385 2.679 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.846 0.422 3.662 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.670 1.439 1.739 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.635 0.213 2.285 1.00 10.00 N ATOM 0 H HIS A 30 -7.992 3.092 6.728 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.617 4.370 4.608 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.060 1.712 6.014 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.354 2.626 5.264 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -9.951 3.389 2.514 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.891 -0.352 4.414 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.546 1.642 0.686 1.00 10.00 H new ATOM 422 N GLU A 31 -11.245 5.163 6.469 1.00 10.00 N ATOM 423 CA GLU A 31 -11.800 6.081 7.458 1.00 10.00 C ATOM 424 C GLU A 31 -13.265 5.751 7.775 1.00 10.00 C ATOM 425 O GLU A 31 -14.178 6.493 7.407 1.00 10.00 O ATOM 426 CB GLU A 31 -11.621 7.527 6.973 1.00 10.00 C ATOM 427 CG GLU A 31 -10.141 7.920 6.832 1.00 10.00 C ATOM 428 CD GLU A 31 -9.970 9.390 6.472 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.983 10.209 7.416 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.839 9.664 5.260 1.00 10.00 O ATOM 0 H GLU A 31 -11.831 5.032 5.644 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.255 5.965 8.395 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -12.120 7.649 6.011 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.109 8.205 7.673 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.621 7.713 7.767 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.674 7.303 6.065 1.00 10.00 H new ATOM 437 N GLY A 32 -13.518 4.613 8.426 1.00 10.00 N ATOM 438 CA GLY A 32 -14.859 4.152 8.785 1.00 10.00 C ATOM 439 C GLY A 32 -15.616 3.584 7.580 1.00 10.00 C ATOM 440 O GLY A 32 -16.083 2.448 7.606 1.00 10.00 O ATOM 0 H GLY A 32 -12.781 3.974 8.724 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.784 3.388 9.558 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.425 4.981 9.210 1.00 10.00 H new ATOM 444 N THR A 33 -15.726 4.376 6.508 1.00 10.00 N ATOM 445 CA THR A 33 -16.198 3.939 5.195 1.00 10.00 C ATOM 446 C THR A 33 -14.998 3.554 4.319 1.00 10.00 C ATOM 447 O THR A 33 -14.336 4.446 3.787 1.00 10.00 O ATOM 448 CB THR A 33 -17.000 5.067 4.526 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.082 5.427 5.355 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.587 4.626 3.183 1.00 10.00 C ATOM 0 H THR A 33 -15.482 5.366 6.533 1.00 10.00 H new ATOM 0 HA THR A 33 -16.846 3.070 5.315 1.00 10.00 H new ATOM 0 HB THR A 33 -16.316 5.901 4.367 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.594 6.147 4.931 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.146 5.451 2.742 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.780 4.335 2.511 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.254 3.778 3.338 1.00 10.00 H new ATOM 458 N PRO A 34 -14.682 2.261 4.142 1.00 10.00 N ATOM 459 CA PRO A 34 -13.640 1.852 3.215 1.00 10.00 C ATOM 460 C PRO A 34 -14.140 1.990 1.770 1.00 10.00 C ATOM 461 O PRO A 34 -15.336 1.873 1.510 1.00 10.00 O ATOM 462 CB PRO A 34 -13.346 0.403 3.586 1.00 10.00 C ATOM 463 CG PRO A 34 -14.716 -0.113 4.024 1.00 10.00 C ATOM 464 CD PRO A 34 -15.310 1.096 4.748 1.00 10.00 C ATOM 0 HA PRO A 34 -12.741 2.465 3.278 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -12.952 -0.160 2.740 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.610 0.331 4.387 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.326 -0.416 3.173 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.632 -0.979 4.681 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.393 1.129 4.632 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.105 1.052 5.818 1.00 10.00 H new ATOM 472 N ALA A 35 -13.236 2.269 0.826 1.00 10.00 N ATOM 473 CA ALA A 35 -13.608 2.605 -0.547 1.00 10.00 C ATOM 474 C ALA A 35 -12.414 2.495 -1.505 1.00 10.00 C ATOM 475 O ALA A 35 -11.264 2.402 -1.074 1.00 10.00 O ATOM 476 CB ALA A 35 -14.199 4.022 -0.566 1.00 10.00 C ATOM 0 H ALA A 35 -12.230 2.268 0.994 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.353 1.890 -0.895 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.481 4.285 -1.586 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.080 4.057 0.075 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.456 4.731 -0.201 1.00 10.00 H new ATOM 482 N LYS A 36 -12.685 2.517 -2.817 1.00 10.00 N ATOM 483 CA LYS A 36 -11.641 2.445 -3.836 1.00 10.00 C ATOM 484 C LYS A 36 -10.830 3.740 -3.958 1.00 10.00 C ATOM 485 O LYS A 36 -11.119 4.614 -4.773 1.00 10.00 O ATOM 486 CB LYS A 36 -12.175 1.965 -5.191 1.00 10.00 C ATOM 487 CG LYS A 36 -13.405 2.719 -5.721 1.00 10.00 C ATOM 488 CD LYS A 36 -13.429 2.588 -7.251 1.00 10.00 C ATOM 489 CE LYS A 36 -14.706 3.159 -7.879 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.867 2.267 -7.664 1.00 10.00 N ATOM 0 H LYS A 36 -13.630 2.585 -3.195 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.942 1.684 -3.488 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.375 2.047 -5.927 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.426 0.907 -5.109 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.318 2.307 -5.290 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.361 3.769 -5.430 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.563 3.103 -7.668 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.336 1.536 -7.522 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -14.916 4.139 -7.450 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -14.552 3.305 -8.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -16.712 2.686 -8.102 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.677 1.340 -8.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -16.029 2.148 -6.644 1.00 10.00 H new ATOM 504 N ILE A 37 -9.770 3.826 -3.161 1.00 10.00 N ATOM 505 CA ILE A 37 -8.739 4.853 -3.287 1.00 10.00 C ATOM 506 C ILE A 37 -8.070 4.729 -4.667 1.00 10.00 C ATOM 507 O ILE A 37 -7.682 3.634 -5.065 1.00 10.00 O ATOM 508 CB ILE A 37 -7.708 4.694 -2.150 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.385 4.772 -0.766 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.628 5.782 -2.259 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.464 4.310 0.367 1.00 10.00 C ATOM 0 H ILE A 37 -9.599 3.173 -2.396 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.183 5.845 -3.204 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.247 3.712 -2.252 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.700 5.798 -0.577 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.285 4.158 -0.771 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.906 5.660 -1.452 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.118 5.694 -3.218 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.093 6.765 -2.184 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.991 4.386 1.318 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.169 3.275 0.197 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.575 4.941 0.394 1.00 10.00 H new ATOM 523 N ALA A 38 -7.921 5.833 -5.408 1.00 10.00 N ATOM 524 CA ALA A 38 -7.255 5.796 -6.707 1.00 10.00 C ATOM 525 C ALA A 38 -5.730 5.776 -6.574 1.00 10.00 C ATOM 526 O ALA A 38 -5.088 6.783 -6.269 1.00 10.00 O ATOM 527 CB ALA A 38 -7.712 6.951 -7.588 1.00 10.00 C ATOM 0 H ALA A 38 -8.252 6.757 -5.129 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.546 4.863 -7.189 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.201 6.900 -8.549 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.789 6.885 -7.746 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.474 7.897 -7.101 1.00 10.00 H new ATOM 533 N ILE A 39 -5.156 4.603 -6.823 1.00 10.00 N ATOM 534 CA ILE A 39 -3.730 4.349 -6.702 1.00 10.00 C ATOM 535 C ILE A 39 -3.043 4.365 -8.065 1.00 10.00 C ATOM 536 O ILE A 39 -3.302 3.506 -8.903 1.00 10.00 O ATOM 537 CB ILE A 39 -3.474 3.033 -5.963 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.210 3.008 -4.618 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.961 2.846 -5.773 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.754 4.072 -3.614 1.00 10.00 C ATOM 0 H ILE A 39 -5.686 3.784 -7.122 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.295 5.156 -6.112 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.861 2.205 -6.557 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.277 3.136 -4.802 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.080 2.024 -4.167 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.773 1.910 -5.247 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.473 2.819 -6.747 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.562 3.676 -5.190 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.331 3.975 -2.694 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.695 3.935 -3.394 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.911 5.064 -4.038 1.00 10.00 H new ATOM 552 N ASP A 40 -2.147 5.337 -8.241 1.00 10.00 N ATOM 553 CA ASP A 40 -1.200 5.406 -9.340 1.00 10.00 C ATOM 554 C ASP A 40 0.229 5.491 -8.748 1.00 10.00 C ATOM 555 O ASP A 40 0.411 5.551 -7.525 1.00 10.00 O ATOM 556 CB ASP A 40 -1.622 6.591 -10.240 1.00 10.00 C ATOM 557 CG ASP A 40 -0.983 6.590 -11.623 1.00 10.00 C ATOM 558 OD1 ASP A 40 0.213 6.933 -11.706 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.645 6.252 -12.622 1.00 10.00 O ATOM 0 H ASP A 40 -2.063 6.123 -7.596 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.197 4.521 -9.977 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.706 6.577 -10.354 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.367 7.523 -9.736 1.00 10.00 H new ATOM 564 N LYS A 41 1.244 5.628 -9.601 1.00 10.00 N ATOM 565 CA LYS A 41 2.685 5.805 -9.332 1.00 10.00 C ATOM 566 C LYS A 41 2.958 7.244 -8.865 1.00 10.00 C ATOM 567 O LYS A 41 3.988 7.846 -9.167 1.00 10.00 O ATOM 568 CB LYS A 41 3.533 5.423 -10.578 1.00 10.00 C ATOM 569 CG LYS A 41 2.819 5.838 -11.860 1.00 10.00 C ATOM 570 CD LYS A 41 3.398 5.543 -13.241 1.00 10.00 C ATOM 571 CE LYS A 41 2.373 6.017 -14.294 1.00 10.00 C ATOM 572 NZ LYS A 41 0.979 5.621 -13.950 1.00 10.00 N ATOM 0 H LYS A 41 1.066 5.618 -10.605 1.00 10.00 H new ATOM 0 HA LYS A 41 2.984 5.131 -8.529 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.507 5.909 -10.524 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.713 4.348 -10.587 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.830 5.382 -11.830 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.674 6.917 -11.804 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.349 6.059 -13.375 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.595 4.477 -13.353 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.427 7.102 -14.387 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.636 5.601 -15.266 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 0.436 5.468 -14.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 0.995 4.743 -13.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 0.531 6.376 -13.392 1.00 10.00 H new ATOM 586 N LYS A 42 2.021 7.780 -8.087 1.00 10.00 N ATOM 587 CA LYS A 42 1.885 9.171 -7.716 1.00 10.00 C ATOM 588 C LYS A 42 1.203 9.201 -6.351 1.00 10.00 C ATOM 589 O LYS A 42 1.851 9.516 -5.365 1.00 10.00 O ATOM 590 CB LYS A 42 1.099 9.898 -8.816 1.00 10.00 C ATOM 591 CG LYS A 42 0.993 11.407 -8.556 1.00 10.00 C ATOM 592 CD LYS A 42 0.114 12.105 -9.606 1.00 10.00 C ATOM 593 CE LYS A 42 0.705 12.004 -11.021 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.088 12.781 -11.999 1.00 10.00 N ATOM 0 H LYS A 42 1.287 7.205 -7.673 1.00 10.00 H new ATOM 0 HA LYS A 42 2.840 9.689 -7.629 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.584 9.730 -9.777 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.098 9.472 -8.886 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.577 11.577 -7.563 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.990 11.848 -8.564 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.881 11.660 -9.598 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.004 13.155 -9.338 1.00 10.00 H new ATOM 0 HE2 LYS A 42 1.732 12.368 -11.014 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.739 10.959 -11.328 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 0.339 12.690 -12.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.062 12.417 -12.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -0.100 13.783 -11.719 1.00 10.00 H new ATOM 608 N SER A 43 -0.065 8.789 -6.251 1.00 10.00 N ATOM 609 CA SER A 43 -0.727 8.608 -4.962 1.00 10.00 C ATOM 610 C SER A 43 0.010 7.593 -4.072 1.00 10.00 C ATOM 611 O SER A 43 0.274 7.892 -2.904 1.00 10.00 O ATOM 612 CB SER A 43 -2.203 8.252 -5.186 1.00 10.00 C ATOM 613 OG SER A 43 -2.353 7.376 -6.286 1.00 10.00 O ATOM 0 H SER A 43 -0.654 8.574 -7.056 1.00 10.00 H new ATOM 0 HA SER A 43 -0.691 9.548 -4.411 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.608 7.786 -4.288 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.778 9.162 -5.360 1.00 10.00 H new ATOM 0 HG SER A 43 -3.306 7.207 -6.442 1.00 10.00 H new ATOM 619 N ALA A 44 0.392 6.430 -4.624 1.00 10.00 N ATOM 620 CA ALA A 44 1.197 5.423 -3.923 1.00 10.00 C ATOM 621 C ALA A 44 2.484 6.007 -3.329 1.00 10.00 C ATOM 622 O ALA A 44 2.775 5.849 -2.138 1.00 10.00 O ATOM 623 CB ALA A 44 1.578 4.304 -4.897 1.00 10.00 C ATOM 0 H ALA A 44 0.147 6.162 -5.577 1.00 10.00 H new ATOM 0 HA ALA A 44 0.588 5.043 -3.103 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.176 3.556 -4.376 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.673 3.838 -5.287 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.156 4.721 -5.722 1.00 10.00 H new ATOM 629 N HIS A 45 3.269 6.640 -4.208 1.00 10.00 N ATOM 630 CA HIS A 45 4.594 7.160 -3.910 1.00 10.00 C ATOM 631 C HIS A 45 4.553 8.431 -3.051 1.00 10.00 C ATOM 632 O HIS A 45 5.453 8.655 -2.246 1.00 10.00 O ATOM 633 CB HIS A 45 5.350 7.438 -5.213 1.00 10.00 C ATOM 634 CG HIS A 45 5.573 6.256 -6.127 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.609 6.341 -7.496 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.935 4.975 -5.785 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.972 5.139 -7.964 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.183 4.260 -6.968 1.00 10.00 N ATOM 0 H HIS A 45 2.985 6.806 -5.173 1.00 10.00 H new ATOM 0 HA HIS A 45 5.114 6.397 -3.330 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.804 8.201 -5.768 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.322 7.862 -4.960 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.398 7.168 -8.055 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.015 4.586 -4.781 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.082 4.905 -9.013 1.00 10.00 H new ATOM 646 N LYS A 46 3.542 9.279 -3.244 1.00 10.00 N ATOM 647 CA LYS A 46 3.394 10.538 -2.525 1.00 10.00 C ATOM 648 C LYS A 46 3.181 10.260 -1.040 1.00 10.00 C ATOM 649 O LYS A 46 4.032 10.569 -0.211 1.00 10.00 O ATOM 650 CB LYS A 46 2.209 11.319 -3.121 1.00 10.00 C ATOM 651 CG LYS A 46 1.888 12.596 -2.341 1.00 10.00 C ATOM 652 CD LYS A 46 0.671 13.326 -2.928 1.00 10.00 C ATOM 653 CE LYS A 46 -0.028 14.242 -1.906 1.00 10.00 C ATOM 654 NZ LYS A 46 0.917 14.907 -0.985 1.00 10.00 N ATOM 0 H LYS A 46 2.794 9.105 -3.915 1.00 10.00 H new ATOM 0 HA LYS A 46 4.297 11.140 -2.629 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.434 11.578 -4.156 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.328 10.677 -3.137 1.00 10.00 H new ATOM 0 HG2 LYS A 46 1.695 12.347 -1.298 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.753 13.259 -2.356 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.989 13.921 -3.784 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -0.044 12.591 -3.298 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -0.602 15.000 -2.439 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -0.739 13.654 -1.326 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 0.492 15.786 -0.626 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.128 14.274 -0.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.797 15.130 -1.492 1.00 10.00 H new ATOM 668 N ASP A 47 2.003 9.714 -0.740 1.00 10.00 N ATOM 669 CA ASP A 47 1.496 9.577 0.608 1.00 10.00 C ATOM 670 C ASP A 47 0.870 8.200 0.867 1.00 10.00 C ATOM 671 O ASP A 47 1.247 7.536 1.832 1.00 10.00 O ATOM 672 CB ASP A 47 0.520 10.737 0.862 1.00 10.00 C ATOM 673 CG ASP A 47 1.205 11.960 1.458 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.832 11.791 2.525 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.091 13.042 0.834 1.00 10.00 O ATOM 0 H ASP A 47 1.367 9.349 -1.449 1.00 10.00 H new ATOM 0 HA ASP A 47 2.320 9.634 1.319 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.040 11.015 -0.076 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.268 10.402 1.536 1.00 10.00 H new ATOM 680 N ALA A 48 -0.080 7.787 0.015 1.00 10.00 N ATOM 681 CA ALA A 48 -1.044 6.711 0.268 1.00 10.00 C ATOM 682 C ALA A 48 -0.464 5.496 1.000 1.00 10.00 C ATOM 683 O ALA A 48 -1.054 5.010 1.963 1.00 10.00 O ATOM 684 CB ALA A 48 -1.684 6.294 -1.059 1.00 10.00 C ATOM 0 H ALA A 48 -0.201 8.211 -0.905 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.794 7.113 0.949 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.403 5.494 -0.881 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.195 7.149 -1.501 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.910 5.942 -1.741 1.00 10.00 H new ATOM 690 N CYS A 49 0.693 5.013 0.539 1.00 10.00 N ATOM 691 CA CYS A 49 1.378 3.861 1.123 1.00 10.00 C ATOM 692 C CYS A 49 2.726 4.251 1.728 1.00 10.00 C ATOM 693 O CYS A 49 3.004 3.954 2.894 1.00 10.00 O ATOM 694 CB CYS A 49 1.454 2.757 0.096 1.00 10.00 C ATOM 695 SG CYS A 49 -0.270 2.309 -0.288 1.00 10.00 S ATOM 0 H CYS A 49 1.184 5.416 -0.259 1.00 10.00 H new ATOM 0 HA CYS A 49 0.805 3.476 1.967 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.979 3.092 -0.799 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.003 1.899 0.485 1.00 10.00 H new ATOM 700 N LYS A 50 3.561 4.962 0.965 1.00 10.00 N ATOM 701 CA LYS A 50 4.859 5.395 1.457 1.00 10.00 C ATOM 702 C LYS A 50 4.802 6.163 2.792 1.00 10.00 C ATOM 703 O LYS A 50 5.615 5.874 3.668 1.00 10.00 O ATOM 704 CB LYS A 50 5.643 6.134 0.366 1.00 10.00 C ATOM 705 CG LYS A 50 6.157 5.176 -0.724 1.00 10.00 C ATOM 706 CD LYS A 50 7.597 5.490 -1.173 1.00 10.00 C ATOM 707 CE LYS A 50 7.756 6.895 -1.767 1.00 10.00 C ATOM 708 NZ LYS A 50 9.154 7.195 -2.137 1.00 10.00 N ATOM 0 H LYS A 50 3.356 5.246 0.007 1.00 10.00 H new ATOM 0 HA LYS A 50 5.414 4.489 1.701 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.005 6.892 -0.089 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.487 6.657 0.817 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.114 4.153 -0.350 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.494 5.228 -1.587 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.267 5.386 -0.319 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.908 4.753 -1.913 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.122 6.988 -2.649 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.408 7.633 -1.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.210 8.155 -2.533 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.758 7.134 -1.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.480 6.508 -2.846 1.00 10.00 H new ATOM 722 N THR A 51 3.874 7.106 3.001 1.00 10.00 N ATOM 723 CA THR A 51 3.852 7.861 4.265 1.00 10.00 C ATOM 724 C THR A 51 3.505 6.982 5.474 1.00 10.00 C ATOM 725 O THR A 51 4.099 7.157 6.538 1.00 10.00 O ATOM 726 CB THR A 51 2.991 9.131 4.162 1.00 10.00 C ATOM 727 OG1 THR A 51 3.646 10.016 3.281 1.00 10.00 O ATOM 728 CG2 THR A 51 2.863 9.874 5.493 1.00 10.00 C ATOM 0 H THR A 51 3.147 7.361 2.333 1.00 10.00 H new ATOM 0 HA THR A 51 4.871 8.204 4.447 1.00 10.00 H new ATOM 0 HB THR A 51 1.997 8.827 3.832 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.041 10.750 3.044 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.244 10.761 5.357 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.401 9.219 6.232 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.852 10.172 5.840 1.00 10.00 H new ATOM 736 N CYS A 52 2.610 5.993 5.331 1.00 10.00 N ATOM 737 CA CYS A 52 2.426 5.001 6.398 1.00 10.00 C ATOM 738 C CYS A 52 3.713 4.203 6.604 1.00 10.00 C ATOM 739 O CYS A 52 4.221 4.111 7.717 1.00 10.00 O ATOM 740 CB CYS A 52 1.270 4.073 6.136 1.00 10.00 C ATOM 741 SG CYS A 52 1.140 2.926 7.551 1.00 10.00 S ATOM 0 H CYS A 52 2.018 5.861 4.511 1.00 10.00 H new ATOM 0 HA CYS A 52 2.189 5.551 7.308 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.346 4.639 6.017 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.427 3.520 5.210 1.00 10.00 H new ATOM 746 N HIS A 53 4.276 3.657 5.524 1.00 10.00 N ATOM 747 CA HIS A 53 5.535 2.927 5.582 1.00 10.00 C ATOM 748 C HIS A 53 6.640 3.693 6.343 1.00 10.00 C ATOM 749 O HIS A 53 7.285 3.130 7.223 1.00 10.00 O ATOM 750 CB HIS A 53 5.916 2.552 4.145 1.00 10.00 C ATOM 751 CG HIS A 53 5.055 1.469 3.544 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.289 0.819 2.359 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.015 0.825 4.145 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.429 -0.219 2.275 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.627 -0.258 3.345 1.00 10.00 N ATOM 0 H HIS A 53 3.870 3.711 4.590 1.00 10.00 H new ATOM 0 HA HIS A 53 5.415 2.016 6.169 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.852 3.442 3.519 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.956 2.226 4.129 1.00 10.00 H new ATOM 0 HD1 HIS A 53 5.990 1.075 1.663 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.563 1.104 5.085 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.394 -0.922 1.456 1.00 10.00 H new ATOM 763 N LYS A 54 6.831 4.985 6.053 1.00 10.00 N ATOM 764 CA LYS A 54 7.735 5.854 6.811 1.00 10.00 C ATOM 765 C LYS A 54 7.461 5.899 8.325 1.00 10.00 C ATOM 766 O LYS A 54 8.375 6.149 9.106 1.00 10.00 O ATOM 767 CB LYS A 54 7.690 7.261 6.245 1.00 10.00 C ATOM 768 CG LYS A 54 8.335 7.319 4.865 1.00 10.00 C ATOM 769 CD LYS A 54 8.924 8.722 4.742 1.00 10.00 C ATOM 770 CE LYS A 54 9.398 9.053 3.325 1.00 10.00 C ATOM 771 NZ LYS A 54 9.884 10.449 3.251 1.00 10.00 N ATOM 0 H LYS A 54 6.360 5.458 5.282 1.00 10.00 H new ATOM 0 HA LYS A 54 8.727 5.417 6.699 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.655 7.597 6.180 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.206 7.944 6.920 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.110 6.559 4.763 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.600 7.133 4.082 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.175 9.452 5.048 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.763 8.819 5.431 1.00 10.00 H new ATOM 0 HE2 LYS A 54 10.195 8.369 3.033 1.00 10.00 H new ATOM 0 HE3 LYS A 54 8.580 8.909 2.619 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 10.201 10.655 2.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 9.114 11.099 3.509 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.679 10.575 3.910 1.00 10.00 H new ATOM 785 N SER A 55 6.215 5.665 8.749 1.00 10.00 N ATOM 786 CA SER A 55 5.838 5.581 10.159 1.00 10.00 C ATOM 787 C SER A 55 6.182 4.210 10.779 1.00 10.00 C ATOM 788 O SER A 55 5.809 3.930 11.917 1.00 10.00 O ATOM 789 CB SER A 55 4.341 5.914 10.279 1.00 10.00 C ATOM 790 OG SER A 55 3.995 6.275 11.603 1.00 10.00 O ATOM 0 H SER A 55 5.431 5.527 8.112 1.00 10.00 H new ATOM 0 HA SER A 55 6.419 6.305 10.731 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.093 6.731 9.601 1.00 10.00 H new ATOM 0 HB3 SER A 55 3.749 5.053 9.969 1.00 10.00 H new ATOM 0 HG SER A 55 4.436 5.668 12.233 1.00 10.00 H new ATOM 796 N ASN A 56 6.887 3.333 10.053 1.00 10.00 N ATOM 797 CA ASN A 56 7.300 2.015 10.513 1.00 10.00 C ATOM 798 C ASN A 56 8.601 1.578 9.817 1.00 10.00 C ATOM 799 O ASN A 56 9.327 2.414 9.283 1.00 10.00 O ATOM 800 CB ASN A 56 6.120 1.049 10.291 1.00 10.00 C ATOM 801 CG ASN A 56 5.663 0.426 11.600 1.00 10.00 C ATOM 802 OD1 ASN A 56 5.662 -0.786 11.759 1.00 10.00 O ATOM 803 ND2 ASN A 56 5.270 1.251 12.557 1.00 10.00 N ATOM 0 H ASN A 56 7.192 3.534 9.101 1.00 10.00 H new ATOM 0 HA ASN A 56 7.538 2.021 11.577 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.290 1.585 9.831 1.00 10.00 H new ATOM 0 HB3 ASN A 56 6.416 0.264 9.596 1.00 10.00 H new ATOM 0 HD21 ASN A 56 4.956 0.879 13.454 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.281 2.258 12.398 1.00 10.00 H new ATOM 810 N ASN A 57 8.917 0.279 9.828 1.00 10.00 N ATOM 811 CA ASN A 57 10.118 -0.241 9.167 1.00 10.00 C ATOM 812 C ASN A 57 9.951 -0.176 7.640 1.00 10.00 C ATOM 813 O ASN A 57 10.611 0.608 6.959 1.00 10.00 O ATOM 814 CB ASN A 57 10.432 -1.667 9.650 1.00 10.00 C ATOM 815 CG ASN A 57 10.325 -1.801 11.165 1.00 10.00 C ATOM 816 OD1 ASN A 57 11.171 -1.318 11.905 1.00 10.00 O ATOM 817 ND2 ASN A 57 9.272 -2.444 11.647 1.00 10.00 N ATOM 0 H ASN A 57 8.354 -0.435 10.290 1.00 10.00 H new ATOM 0 HA ASN A 57 10.970 0.383 9.436 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.745 -2.368 9.176 1.00 10.00 H new ATOM 0 HB3 ASN A 57 11.438 -1.942 9.333 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.153 -2.545 12.655 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.580 -2.838 11.010 1.00 10.00 H new ATOM 824 N GLY A 58 9.018 -0.974 7.114 1.00 10.00 N ATOM 825 CA GLY A 58 8.561 -0.889 5.731 1.00 10.00 C ATOM 826 C GLY A 58 9.585 -1.294 4.653 1.00 10.00 C ATOM 827 O GLY A 58 10.769 -1.504 4.920 1.00 10.00 O ATOM 0 H GLY A 58 8.554 -1.708 7.649 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.679 -1.521 5.621 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.245 0.136 5.536 1.00 10.00 H new ATOM 831 N PRO A 59 9.126 -1.360 3.393 1.00 10.00 N ATOM 832 CA PRO A 59 9.963 -1.625 2.236 1.00 10.00 C ATOM 833 C PRO A 59 10.824 -0.395 1.935 1.00 10.00 C ATOM 834 O PRO A 59 10.539 0.379 1.022 1.00 10.00 O ATOM 835 CB PRO A 59 8.986 -1.939 1.099 1.00 10.00 C ATOM 836 CG PRO A 59 7.738 -1.142 1.467 1.00 10.00 C ATOM 837 CD PRO A 59 7.755 -1.102 2.995 1.00 10.00 C ATOM 0 HA PRO A 59 10.655 -2.454 2.387 1.00 10.00 H new ATOM 0 HB2 PRO A 59 9.385 -1.634 0.132 1.00 10.00 H new ATOM 0 HB3 PRO A 59 8.775 -3.007 1.035 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.767 -0.139 1.042 1.00 10.00 H new ATOM 0 HG3 PRO A 59 6.834 -1.622 1.091 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.419 -0.132 3.362 1.00 10.00 H new ATOM 0 HD3 PRO A 59 7.082 -1.851 3.411 1.00 10.00 H new ATOM 845 N THR A 60 11.902 -0.206 2.700 1.00 10.00 N ATOM 846 CA THR A 60 12.816 0.937 2.570 1.00 10.00 C ATOM 847 C THR A 60 13.734 0.856 1.324 1.00 10.00 C ATOM 848 O THR A 60 14.912 1.202 1.360 1.00 10.00 O ATOM 849 CB THR A 60 13.560 1.136 3.906 1.00 10.00 C ATOM 850 OG1 THR A 60 14.230 2.378 3.938 1.00 10.00 O ATOM 851 CG2 THR A 60 14.563 0.023 4.229 1.00 10.00 C ATOM 0 H THR A 60 12.171 -0.853 3.441 1.00 10.00 H new ATOM 0 HA THR A 60 12.234 1.838 2.376 1.00 10.00 H new ATOM 0 HB THR A 60 12.781 1.106 4.668 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.769 2.480 3.126 1.00 10.00 H new ATOM 0 HG21 THR A 60 15.046 0.234 5.183 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.040 -0.931 4.290 1.00 10.00 H new ATOM 0 HG23 THR A 60 15.317 -0.026 3.444 1.00 10.00 H new ATOM 859 N LYS A 61 13.181 0.422 0.185 1.00 10.00 N ATOM 860 CA LYS A 61 13.851 0.264 -1.102 1.00 10.00 C ATOM 861 C LYS A 61 12.793 -0.037 -2.173 1.00 10.00 C ATOM 862 O LYS A 61 11.853 -0.785 -1.908 1.00 10.00 O ATOM 863 CB LYS A 61 14.858 -0.892 -1.028 1.00 10.00 C ATOM 864 CG LYS A 61 15.804 -0.949 -2.235 1.00 10.00 C ATOM 865 CD LYS A 61 16.727 -2.166 -2.089 1.00 10.00 C ATOM 866 CE LYS A 61 17.738 -2.219 -3.242 1.00 10.00 C ATOM 867 NZ LYS A 61 18.627 -3.396 -3.126 1.00 10.00 N ATOM 0 H LYS A 61 12.197 0.158 0.139 1.00 10.00 H new ATOM 0 HA LYS A 61 14.386 1.179 -1.355 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.448 -0.793 -0.117 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.315 -1.834 -0.956 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.231 -1.020 -3.159 1.00 10.00 H new ATOM 0 HG3 LYS A 61 16.394 -0.034 -2.295 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.255 -2.116 -1.137 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.133 -3.080 -2.077 1.00 10.00 H new ATOM 0 HE2 LYS A 61 17.206 -2.255 -4.193 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.336 -1.308 -3.246 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.299 -3.403 -3.920 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 19.151 -3.348 -2.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.057 -4.265 -3.147 1.00 10.00 H new ATOM 881 N CYS A 62 12.955 0.510 -3.383 1.00 10.00 N ATOM 882 CA CYS A 62 12.012 0.340 -4.499 1.00 10.00 C ATOM 883 C CYS A 62 11.566 -1.118 -4.661 1.00 10.00 C ATOM 884 O CYS A 62 10.374 -1.419 -4.639 1.00 10.00 O ATOM 885 CB CYS A 62 12.610 0.843 -5.791 1.00 10.00 C ATOM 886 SG CYS A 62 13.312 2.516 -5.670 1.00 10.00 S ATOM 0 H CYS A 62 13.758 1.093 -3.620 1.00 10.00 H new ATOM 0 HA CYS A 62 11.130 0.934 -4.259 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.391 0.153 -6.112 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.841 0.836 -6.564 1.00 10.00 H new ATOM 891 N GLY A 63 12.545 -2.022 -4.777 1.00 10.00 N ATOM 892 CA GLY A 63 12.350 -3.465 -4.878 1.00 10.00 C ATOM 893 C GLY A 63 11.363 -4.038 -3.854 1.00 10.00 C ATOM 894 O GLY A 63 10.591 -4.938 -4.175 1.00 10.00 O ATOM 0 H GLY A 63 13.529 -1.755 -4.804 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.995 -3.703 -5.881 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.313 -3.960 -4.754 1.00 10.00 H new ATOM 898 N GLY A 64 11.341 -3.500 -2.629 1.00 10.00 N ATOM 899 CA GLY A 64 10.417 -3.945 -1.588 1.00 10.00 C ATOM 900 C GLY A 64 8.937 -3.792 -1.978 1.00 10.00 C ATOM 901 O GLY A 64 8.089 -4.513 -1.461 1.00 10.00 O ATOM 0 H GLY A 64 11.963 -2.746 -2.335 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.618 -4.991 -1.357 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.606 -3.376 -0.678 1.00 10.00 H new ATOM 905 N CYS A 65 8.628 -2.883 -2.912 1.00 10.00 N ATOM 906 CA CYS A 65 7.298 -2.750 -3.515 1.00 10.00 C ATOM 907 C CYS A 65 7.298 -3.136 -5.006 1.00 10.00 C ATOM 908 O CYS A 65 6.351 -2.817 -5.719 1.00 10.00 O ATOM 909 CB CYS A 65 6.844 -1.321 -3.389 1.00 10.00 C ATOM 910 SG CYS A 65 6.348 -0.812 -1.711 1.00 10.00 S ATOM 0 H CYS A 65 9.305 -2.211 -3.274 1.00 10.00 H new ATOM 0 HA CYS A 65 6.625 -3.427 -2.989 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.650 -0.669 -3.726 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.002 -1.163 -4.063 1.00 10.00 H new ATOM 915 N HIS A 66 8.351 -3.783 -5.513 1.00 10.00 N ATOM 916 CA HIS A 66 8.521 -3.993 -6.944 1.00 10.00 C ATOM 917 C HIS A 66 9.298 -5.291 -7.236 1.00 10.00 C ATOM 918 O HIS A 66 10.527 -5.302 -7.219 1.00 10.00 O ATOM 919 CB HIS A 66 9.166 -2.735 -7.553 1.00 10.00 C ATOM 920 CG HIS A 66 8.228 -1.564 -7.648 1.00 10.00 C ATOM 921 ND1 HIS A 66 7.059 -1.590 -8.343 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.348 -0.311 -7.107 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.467 -0.396 -8.215 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.214 0.444 -7.484 1.00 10.00 N ATOM 0 H HIS A 66 9.102 -4.172 -4.943 1.00 10.00 H new ATOM 0 HA HIS A 66 7.552 -4.136 -7.422 1.00 10.00 H new ATOM 0 HB2 HIS A 66 10.029 -2.451 -6.950 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.538 -2.974 -8.549 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.696 -2.383 -8.871 1.00 10.00 H new ATOM 0 HD2 HIS A 66 9.168 0.039 -6.497 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.510 -0.142 -8.646 1.00 10.00 H new ATOM 932 N ILE A 67 8.566 -6.373 -7.536 1.00 10.00 N ATOM 933 CA ILE A 67 9.112 -7.679 -7.928 1.00 10.00 C ATOM 934 C ILE A 67 10.207 -7.567 -9.004 1.00 10.00 C ATOM 935 O ILE A 67 10.120 -6.746 -9.914 1.00 10.00 O ATOM 936 CB ILE A 67 7.958 -8.590 -8.401 1.00 10.00 C ATOM 937 CG1 ILE A 67 6.988 -8.957 -7.262 1.00 10.00 C ATOM 938 CG2 ILE A 67 8.445 -9.867 -9.106 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.539 -9.967 -6.248 1.00 10.00 C ATOM 0 H ILE A 67 7.546 -6.363 -7.512 1.00 10.00 H new ATOM 0 HA ILE A 67 9.594 -8.119 -7.055 1.00 10.00 H new ATOM 0 HB ILE A 67 7.416 -7.992 -9.134 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.711 -8.046 -6.732 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.075 -9.362 -7.698 1.00 10.00 H new ATOM 0 HG21 ILE A 67 7.586 -10.463 -9.413 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.032 -9.597 -9.984 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.063 -10.448 -8.421 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.786 -10.164 -5.484 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.789 -10.897 -6.759 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.434 -9.560 -5.778 1.00 10.00 H new ATOM 951 N LYS A 68 11.229 -8.418 -8.897 1.00 10.00 N ATOM 952 CA LYS A 68 12.367 -8.512 -9.798 1.00 10.00 C ATOM 953 C LYS A 68 12.976 -9.915 -9.673 1.00 10.00 C ATOM 954 O LYS A 68 12.711 -10.549 -8.624 1.00 10.00 O ATOM 955 CB LYS A 68 13.385 -7.403 -9.483 1.00 10.00 C ATOM 956 CG LYS A 68 13.890 -7.488 -8.035 1.00 10.00 C ATOM 957 CD LYS A 68 15.397 -7.778 -7.913 1.00 10.00 C ATOM 958 CE LYS A 68 15.738 -9.164 -8.482 1.00 10.00 C ATOM 959 NZ LYS A 68 17.131 -9.566 -8.216 1.00 10.00 N ATOM 960 OXT LYS A 68 13.743 -10.305 -10.581 1.00 10.00 O ATOM 0 H LYS A 68 11.283 -9.095 -8.136 1.00 10.00 H new ATOM 0 HA LYS A 68 12.052 -8.365 -10.831 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.230 -7.480 -10.168 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.925 -6.429 -9.651 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.669 -6.548 -7.528 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.337 -8.269 -7.513 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.963 -7.013 -8.445 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.698 -7.726 -6.867 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.063 -9.904 -8.052 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.565 -9.162 -9.558 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.304 -10.508 -8.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.780 -8.878 -8.649 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.293 -9.597 -7.189 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.260 -1.505 1.317 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.222 -0.555 -1.748 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.279 -2.503 2.056 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.045 -2.926 4.058 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.296 -0.104 0.748 1.00 10.00 C HETATM 980 NA HEC A 130 -10.903 -1.451 0.393 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.120 -1.036 -0.871 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.520 -1.199 -1.203 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.118 -1.694 -0.080 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.056 -1.909 0.874 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.584 -2.045 0.092 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.209 -0.905 -2.525 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.358 -2.148 -3.420 1.00 10.00 C HETATM 988 CGA HEC A 130 -14.375 -3.169 -2.882 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.587 -2.871 -2.995 1.00 10.00 O HETATM 990 O2A HEC A 130 -13.939 -4.208 -2.335 1.00 10.00 O HETATM 991 NB HEC A 130 -10.006 -2.482 2.776 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.288 -2.774 2.910 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.515 -3.487 4.148 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.285 -3.636 4.730 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.357 -2.993 3.824 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.847 -4.001 4.667 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.955 -4.372 6.026 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.198 -5.884 5.930 1.00 10.00 C HETATM 999 NC HEC A 130 -7.558 -1.520 2.196 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.248 -2.182 3.305 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.849 -2.024 3.616 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.401 -1.063 2.759 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.473 -0.854 1.822 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.031 -2.781 4.648 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.127 -0.251 2.882 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.870 -1.026 2.493 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.435 -0.504 -0.183 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.194 -0.064 -0.209 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.850 0.448 -1.507 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.951 0.240 -2.284 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.967 -0.283 -1.387 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.479 0.917 -1.966 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.975 0.352 -3.798 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.397 -0.904 -4.490 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.128 -2.213 -4.127 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.455 -3.182 -3.700 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.373 -2.209 -4.234 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.148 1.744 -1.338 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.768 0.095 -1.887 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.536 1.249 -3.003 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.457 -2.621 5.639 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.046 -3.846 4.415 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.002 -2.421 4.632 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.535 -3.165 4.794 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.266 -4.710 3.954 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.697 -4.497 5.626 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.193 -1.156 -0.074 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.861 -2.815 -0.629 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.753 -2.417 1.103 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.440 -0.763 -5.570 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -6.345 -1.002 -4.223 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.765 -1.897 3.140 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.950 -1.352 1.456 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -1.997 -0.383 2.605 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.247 -6.070 5.700 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.574 -6.304 5.141 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.946 -6.354 6.881 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.663 -1.834 -4.418 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -12.387 -2.632 -3.521 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.001 0.508 -4.132 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.403 1.228 -4.104 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.196 -0.487 -2.328 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.642 -0.144 -3.062 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.388 0.492 0.655 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.620 -3.495 4.885 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.300 -2.773 2.328 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.527 -0.383 -2.780 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.710 -3.127 -4.170 1.00 10.00 H new HETATM 0 H2A HEC A 130 -14.690 -4.747 -2.010 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.333 -1.693 3.741 1.00 10.00 FE HETATM 1051 CHA HEC A 153 5.056 -3.191 4.806 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.335 -3.413 0.945 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.400 0.591 2.393 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.660 -0.543 6.757 1.00 10.00 C HETATM 1055 NA HEC A 153 3.451 -3.020 3.029 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.537 -3.535 3.614 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.050 -4.632 2.819 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.209 -4.745 1.746 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.227 -3.697 1.898 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.354 -5.690 0.567 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.245 -5.521 3.118 1.00 10.00 C HETATM 1062 CBA HEC A 153 7.537 -4.941 2.524 1.00 10.00 C HETATM 1063 CGA HEC A 153 8.819 -5.755 2.767 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.699 -6.944 3.136 1.00 10.00 O HETATM 1065 O2A HEC A 153 9.905 -5.159 2.578 1.00 10.00 O HETATM 1066 NB HEC A 153 1.577 -1.422 1.991 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.683 -2.246 0.961 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.071 -1.652 -0.214 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.604 -0.417 0.164 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.872 -0.361 1.595 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.094 -2.188 -1.633 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.233 0.541 -0.720 1.00 10.00 C HETATM 1073 CBB HEC A 153 0.088 0.598 -2.218 1.00 10.00 C HETATM 1074 NC HEC A 153 1.177 -0.337 4.439 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.480 0.524 3.716 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.275 1.420 4.566 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.061 1.072 5.848 1.00 10.00 C HETATM 1078 C4C HEC A 153 0.992 -0.032 5.717 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.251 2.508 4.129 1.00 10.00 C HETATM 1080 CAC HEC A 153 -0.245 1.833 7.132 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.554 2.622 7.206 1.00 10.00 C HETATM 1082 ND HEC A 153 3.191 -1.821 5.424 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.742 -1.304 6.563 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.655 -1.611 7.635 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.701 -2.274 7.058 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.348 -2.439 5.665 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.522 -1.217 9.094 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.920 -2.789 7.793 1.00 10.00 C HETATM 1089 CBD HEC A 153 5.659 -4.070 8.605 1.00 10.00 C HETATM 1090 CGD HEC A 153 6.805 -4.421 9.572 1.00 10.00 C HETATM 1091 O1D HEC A 153 6.817 -5.570 10.061 1.00 10.00 O HETATM 1092 O2D HEC A 153 7.653 -3.527 9.817 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.492 -0.131 9.176 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.603 -1.637 9.502 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.376 -1.600 9.654 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.730 3.235 3.506 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.065 2.059 3.560 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.656 3.008 5.009 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.126 -2.264 -1.976 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 0.630 -3.174 -1.657 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.543 -1.511 -2.286 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.294 -5.489 0.053 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.349 -6.720 0.924 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 3.524 -5.541 -0.123 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 4.737 -3.950 9.174 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 5.504 -4.902 7.918 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.569 3.377 6.420 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.396 1.943 7.073 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.631 3.109 8.178 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 1.122 0.914 -2.357 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.052 -0.389 -2.658 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.578 1.310 -2.706 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.400 -4.830 1.448 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 7.683 -3.941 2.932 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 6.713 -2.983 7.071 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 6.283 -2.011 8.465 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.357 -5.633 4.197 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.071 -6.517 2.711 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.319 -0.337 7.772 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.073 1.464 1.942 1.00 10.00 H new HETATM 0 HHB HEC A 153 2.138 -4.135 0.152 1.00 10.00 H new HETATM 0 HHA HEC A 153 6.058 -3.525 5.077 1.00 10.00 H new HETATM 0 H2D HEC A 153 7.208 -2.758 10.231 1.00 10.00 H new HETATM 0 H2A HEC A 153 10.649 -5.768 2.766 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.736 2.373 -7.227 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.449 2.091 -9.684 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.059 3.180 -9.412 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.963 2.646 -4.751 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.413 1.456 -5.014 1.00 10.00 C HETATM 1130 NA HEC A 166 6.759 2.556 -9.127 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.728 2.386 -9.984 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.198 2.598 -11.342 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.500 2.986 -11.238 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.834 2.887 -9.842 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.385 3.508 -12.356 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.448 2.486 -12.653 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.911 1.333 -13.554 1.00 10.00 C HETATM 1138 CGA HEC A 166 5.093 1.239 -14.854 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.956 2.287 -15.523 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.646 0.110 -15.166 1.00 10.00 O HETATM 1141 NB HEC A 166 8.604 2.849 -7.097 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.385 3.141 -8.124 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.728 3.433 -7.682 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.710 3.309 -6.320 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.352 2.914 -5.996 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.915 3.767 -8.570 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.869 3.573 -5.356 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.337 5.033 -5.373 1.00 10.00 C HETATM 1149 NC HEC A 166 6.700 2.113 -5.303 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.730 2.236 -4.477 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.360 1.873 -3.131 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.061 1.455 -3.211 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.660 1.678 -4.587 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.294 1.763 -1.933 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.322 0.621 -2.171 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.828 1.402 -0.950 1.00 10.00 C HETATM 1157 ND HEC A 166 4.793 1.946 -7.328 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.042 1.614 -6.288 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.674 1.404 -6.701 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.637 1.589 -8.055 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.009 1.917 -8.431 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.495 1.008 -5.823 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.339 1.418 -8.855 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.337 1.189 -10.381 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.272 2.468 -11.252 1.00 10.00 C HETATM 1166 O1D HEC A 166 2.131 2.639 -12.142 1.00 10.00 O HETATM 1167 O2D HEC A 166 0.372 3.300 -11.026 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.699 0.046 -5.352 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.345 1.764 -5.053 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.596 0.929 -6.435 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.059 1.013 -2.136 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.770 2.727 -1.753 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.723 1.470 -1.052 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.106 2.937 -9.250 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.696 4.665 -9.147 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.796 3.939 -7.951 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.470 2.751 -13.136 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.946 4.413 -12.775 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.375 3.734 -11.961 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.237 0.635 -10.648 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.486 0.556 -10.634 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.678 1.856 -0.440 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.139 2.183 -1.272 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.315 0.724 -0.268 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.673 5.296 -6.376 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.511 5.683 -5.085 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.160 5.159 -4.670 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.964 1.468 -13.800 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 5.829 0.393 -13.008 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.806 0.577 -8.411 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.738 2.309 -8.671 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.386 2.360 -12.440 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.555 3.423 -13.200 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.665 1.131 -4.290 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.676 2.766 -3.935 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.820 3.461 -10.140 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.736 1.989 -10.502 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.977 0.208 -15.876 1.00 10.00 H new