USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 588 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 69 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 69 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HEC HAC : A 69 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 69 HEC HAB : A 69 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 70 HEC HAC : A 70 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 70 HEC HAB : A 70 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAC : A 71 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAB : A 71 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 6 TYR OH : rot 30:sc= 1.1 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -169:sc= 2.34 (180deg=1.15) USER MOD Set 1.3: A 69 HEC O2A : rot -140:sc= -0.0451 USER MOD Set 1.4: A 69 HEC O2D : rot -48:sc= -0.323 USER MOD Set 2.1: A 61 LYS NZ :NH3+ -147:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 70 HEC O2A : rot 59:sc= 1.05 USER MOD Set 3.1: A 10 LYS NZ :NH3+ -179:sc= 0.239 (180deg=-0.347) USER MOD Set 3.2: A 71 HEC O2A : rot 167:sc= 0.422 USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.258 (180deg=-1.05) USER MOD Single : A 5 THR OG1 : rot 35:sc= 1.14 USER MOD Single : A 8 ASN : amide:sc= -3.78 K(o=-3.8,f=-2.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.11) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.532 (180deg=0.307) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 161:sc= 1.2 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.13) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 1.56 (180deg=1.31) USER MOD Single : A 51 THR OG1 : rot -101:sc= 1 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 79:sc= 0.978 USER MOD Single : A 56 ASN : amide:sc= 0.935 K(o=0.94,f=-0.72) USER MOD Single : A 57 ASN : amide:sc= -0.637 K(o=-0.64,f=-4.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.411 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= 1.52 (180deg=-0.114!) USER MOD Single : A 70 HEC O2D : rot 165:sc= 0 USER MOD Single : A 71 HEC O2D : rot -90:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.560 5.872 -8.009 1.00 0.00 N ATOM 2 CA ALA A 1 8.733 5.188 -8.593 1.00 0.00 C ATOM 3 C ALA A 1 8.238 3.913 -9.269 1.00 0.00 C ATOM 4 O ALA A 1 7.026 3.809 -9.451 1.00 0.00 O ATOM 5 CB ALA A 1 9.810 4.920 -7.534 1.00 0.00 C ATOM 0 H1 ALA A 1 7.560 6.871 -8.300 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.689 5.414 -8.344 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.605 5.813 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 1 9.215 5.822 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.658 4.416 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.140 5.865 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.398 4.288 -6.748 1.00 0.00 H new ATOM 13 N ASP A 2 9.132 2.982 -9.615 1.00 0.00 N ATOM 14 CA ASP A 2 8.873 1.858 -10.498 1.00 0.00 C ATOM 15 C ASP A 2 9.104 0.519 -9.804 1.00 0.00 C ATOM 16 O ASP A 2 9.938 -0.280 -10.221 1.00 0.00 O ATOM 17 CB ASP A 2 9.717 2.007 -11.776 1.00 0.00 C ATOM 18 CG ASP A 2 9.484 3.313 -12.529 1.00 0.00 C ATOM 19 OD1 ASP A 2 9.644 4.383 -11.897 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.148 3.219 -13.728 1.00 0.00 O ATOM 0 H ASP A 2 10.092 2.998 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 2 7.819 1.866 -10.777 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.772 1.936 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.498 1.172 -12.442 1.00 0.00 H new ATOM 25 N VAL A 3 8.278 0.283 -8.785 1.00 0.00 N ATOM 26 CA VAL A 3 8.174 -0.940 -8.000 1.00 0.00 C ATOM 27 C VAL A 3 9.359 -1.052 -7.034 1.00 0.00 C ATOM 28 O VAL A 3 10.498 -0.765 -7.392 1.00 0.00 O ATOM 29 CB VAL A 3 7.945 -2.185 -8.884 1.00 0.00 C ATOM 30 CG1 VAL A 3 7.651 -3.429 -8.035 1.00 0.00 C ATOM 31 CG2 VAL A 3 6.754 -1.968 -9.831 1.00 0.00 C ATOM 0 H VAL A 3 7.619 0.993 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 3 7.278 -0.889 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 3 8.861 -2.338 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.495 -4.287 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.495 -3.626 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.754 -3.259 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.610 -2.857 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.853 -1.781 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.952 -1.111 -10.475 1.00 0.00 H new ATOM 41 N VAL A 4 9.087 -1.416 -5.780 1.00 0.00 N ATOM 42 CA VAL A 4 10.102 -1.580 -4.751 1.00 0.00 C ATOM 43 C VAL A 4 9.508 -2.487 -3.682 1.00 0.00 C ATOM 44 O VAL A 4 8.360 -2.917 -3.801 1.00 0.00 O ATOM 45 CB VAL A 4 10.530 -0.201 -4.194 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.419 0.476 -3.380 1.00 0.00 C ATOM 47 CG2 VAL A 4 11.794 -0.263 -3.325 1.00 0.00 C ATOM 0 H VAL A 4 8.141 -1.607 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 4 11.009 -2.036 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 4 10.744 0.391 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.772 1.440 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.545 0.627 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.150 -0.157 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.039 0.737 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.618 -0.920 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.624 -0.650 -3.917 1.00 0.00 H new ATOM 57 N THR A 5 10.249 -2.736 -2.610 1.00 0.00 N ATOM 58 CA THR A 5 9.696 -3.331 -1.424 1.00 0.00 C ATOM 59 C THR A 5 10.449 -2.854 -0.207 1.00 0.00 C ATOM 60 O THR A 5 11.624 -2.500 -0.283 1.00 0.00 O ATOM 61 CB THR A 5 9.796 -4.860 -1.554 1.00 0.00 C ATOM 62 OG1 THR A 5 9.347 -5.462 -0.374 1.00 0.00 O ATOM 63 CG2 THR A 5 11.206 -5.380 -1.857 1.00 0.00 C ATOM 0 H THR A 5 11.246 -2.528 -2.549 1.00 0.00 H new ATOM 0 HA THR A 5 8.652 -3.040 -1.311 1.00 0.00 H new ATOM 0 HB THR A 5 9.172 -5.123 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.612 -4.935 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.185 -6.467 -1.932 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.555 -4.958 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.883 -5.085 -1.055 1.00 0.00 H new ATOM 71 N TYR A 6 9.715 -2.839 0.903 1.00 0.00 N ATOM 72 CA TYR A 6 10.250 -2.597 2.218 1.00 0.00 C ATOM 73 C TYR A 6 10.226 -3.948 2.923 1.00 0.00 C ATOM 74 O TYR A 6 9.153 -4.497 3.171 1.00 0.00 O ATOM 75 CB TYR A 6 9.451 -1.494 2.923 1.00 0.00 C ATOM 76 CG TYR A 6 9.728 -0.077 2.420 1.00 0.00 C ATOM 77 CD1 TYR A 6 9.814 0.217 1.043 1.00 0.00 C ATOM 78 CD2 TYR A 6 9.819 0.980 3.344 1.00 0.00 C ATOM 79 CE1 TYR A 6 10.029 1.528 0.595 1.00 0.00 C ATOM 80 CE2 TYR A 6 10.069 2.290 2.898 1.00 0.00 C ATOM 81 CZ TYR A 6 10.222 2.562 1.528 1.00 0.00 C ATOM 82 OH TYR A 6 10.605 3.811 1.121 1.00 0.00 O ATOM 0 H TYR A 6 8.708 -3.000 0.901 1.00 0.00 H new ATOM 0 HA TYR A 6 11.273 -2.220 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.388 -1.704 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.668 -1.534 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.713 -0.581 0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.696 0.785 4.399 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.046 1.743 -0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.144 3.094 3.615 1.00 0.00 H new ATOM 0 HH TYR A 6 10.260 3.982 0.220 1.00 0.00 H new ATOM 92 N GLU A 7 11.407 -4.528 3.142 1.00 0.00 N ATOM 93 CA GLU A 7 11.573 -5.726 3.949 1.00 0.00 C ATOM 94 C GLU A 7 11.140 -5.495 5.405 1.00 0.00 C ATOM 95 O GLU A 7 11.566 -4.537 6.043 1.00 0.00 O ATOM 96 CB GLU A 7 13.002 -6.276 3.841 1.00 0.00 C ATOM 97 CG GLU A 7 14.098 -5.265 4.206 1.00 0.00 C ATOM 98 CD GLU A 7 15.436 -5.968 4.399 1.00 0.00 C ATOM 99 OE1 GLU A 7 15.509 -6.784 5.342 1.00 0.00 O ATOM 100 OE2 GLU A 7 16.349 -5.686 3.595 1.00 0.00 O ATOM 0 H GLU A 7 12.282 -4.171 2.757 1.00 0.00 H new ATOM 0 HA GLU A 7 10.908 -6.491 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.094 -7.145 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.169 -6.623 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.185 -4.516 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.824 -4.737 5.119 1.00 0.00 H new ATOM 107 N ASN A 8 10.296 -6.392 5.925 1.00 0.00 N ATOM 108 CA ASN A 8 9.705 -6.402 7.260 1.00 0.00 C ATOM 109 C ASN A 8 9.385 -7.873 7.537 1.00 0.00 C ATOM 110 O ASN A 8 9.470 -8.700 6.618 1.00 0.00 O ATOM 111 CB ASN A 8 8.430 -5.543 7.381 1.00 0.00 C ATOM 112 CG ASN A 8 8.402 -4.330 6.454 1.00 0.00 C ATOM 113 OD1 ASN A 8 9.156 -3.375 6.601 1.00 0.00 O ATOM 114 ND2 ASN A 8 7.520 -4.378 5.469 1.00 0.00 N ATOM 0 H ASN A 8 9.986 -7.193 5.375 1.00 0.00 H new ATOM 0 HA ASN A 8 10.398 -5.966 7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.563 -6.168 7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.332 -5.201 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.454 -3.606 4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.906 -5.187 5.373 1.00 0.00 H new ATOM 121 N LYS A 9 9.048 -8.220 8.782 1.00 0.00 N ATOM 122 CA LYS A 9 9.287 -9.559 9.310 1.00 0.00 C ATOM 123 C LYS A 9 8.283 -10.608 8.824 1.00 0.00 C ATOM 124 O LYS A 9 8.506 -11.800 9.014 1.00 0.00 O ATOM 125 CB LYS A 9 9.330 -9.492 10.849 1.00 0.00 C ATOM 126 CG LYS A 9 10.401 -10.406 11.470 1.00 0.00 C ATOM 127 CD LYS A 9 11.836 -9.881 11.278 1.00 0.00 C ATOM 128 CE LYS A 9 12.155 -8.682 12.190 1.00 0.00 C ATOM 129 NZ LYS A 9 13.427 -8.025 11.819 1.00 0.00 N ATOM 0 H LYS A 9 8.605 -7.584 9.445 1.00 0.00 H new ATOM 0 HA LYS A 9 10.249 -9.894 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.519 -8.463 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.353 -9.768 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.201 -10.516 12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.323 -11.399 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.543 -10.685 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.976 -9.588 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.343 -7.957 12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.210 -9.019 13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.603 -7.224 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.207 -8.709 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.367 -7.680 10.840 1.00 0.00 H new ATOM 143 N LYS A 10 7.154 -10.189 8.246 1.00 0.00 N ATOM 144 CA LYS A 10 6.096 -11.108 7.833 1.00 0.00 C ATOM 145 C LYS A 10 6.500 -11.818 6.554 1.00 0.00 C ATOM 146 O LYS A 10 6.394 -13.040 6.460 1.00 0.00 O ATOM 147 CB LYS A 10 4.784 -10.356 7.596 1.00 0.00 C ATOM 148 CG LYS A 10 4.382 -9.476 8.774 1.00 0.00 C ATOM 149 CD LYS A 10 3.935 -10.258 10.025 1.00 0.00 C ATOM 150 CE LYS A 10 5.043 -10.700 11.006 1.00 0.00 C ATOM 151 NZ LYS A 10 5.206 -9.816 12.182 1.00 0.00 N ATOM 0 H LYS A 10 6.950 -9.208 8.053 1.00 0.00 H new ATOM 0 HA LYS A 10 5.947 -11.836 8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.882 -9.737 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.989 -11.076 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.225 -8.838 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.571 -8.819 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.222 -9.642 10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.399 -11.148 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.823 -11.709 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.990 -10.747 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.979 -10.172 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.431 -8.852 11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.323 -9.802 12.731 1.00 0.00 H new ATOM 165 N GLY A 11 6.893 -11.013 5.570 1.00 0.00 N ATOM 166 CA GLY A 11 7.329 -11.440 4.254 1.00 0.00 C ATOM 167 C GLY A 11 7.504 -10.199 3.390 1.00 0.00 C ATOM 168 O GLY A 11 7.027 -10.156 2.258 1.00 0.00 O ATOM 0 H GLY A 11 6.915 -9.999 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.267 -11.991 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.596 -12.113 3.810 1.00 0.00 H new ATOM 172 N ASN A 12 8.151 -9.168 3.948 1.00 0.00 N ATOM 173 CA ASN A 12 8.321 -7.880 3.285 1.00 0.00 C ATOM 174 C ASN A 12 6.967 -7.211 3.050 1.00 0.00 C ATOM 175 O ASN A 12 5.945 -7.674 3.562 1.00 0.00 O ATOM 176 CB ASN A 12 9.139 -8.008 1.980 1.00 0.00 C ATOM 177 CG ASN A 12 10.469 -8.761 2.069 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.082 -9.044 1.047 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.953 -9.093 3.265 1.00 0.00 N ATOM 0 H ASN A 12 8.571 -9.210 4.876 1.00 0.00 H new ATOM 0 HA ASN A 12 8.898 -7.236 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.516 -8.505 1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.341 -7.004 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.842 -9.588 3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.434 -8.852 4.110 1.00 0.00 H new ATOM 186 N VAL A 13 6.972 -6.109 2.301 1.00 0.00 N ATOM 187 CA VAL A 13 5.801 -5.452 1.744 1.00 0.00 C ATOM 188 C VAL A 13 6.153 -5.072 0.314 1.00 0.00 C ATOM 189 O VAL A 13 7.012 -4.206 0.124 1.00 0.00 O ATOM 190 CB VAL A 13 5.476 -4.206 2.578 1.00 0.00 C ATOM 191 CG1 VAL A 13 4.625 -3.174 1.831 1.00 0.00 C ATOM 192 CG2 VAL A 13 4.724 -4.646 3.831 1.00 0.00 C ATOM 0 H VAL A 13 7.839 -5.630 2.057 1.00 0.00 H new ATOM 0 HA VAL A 13 4.925 -6.100 1.758 1.00 0.00 H new ATOM 0 HB VAL A 13 6.423 -3.722 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.434 -2.320 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.157 -2.840 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.677 -3.627 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.484 -3.772 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.802 -5.152 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.348 -5.328 4.409 1.00 0.00 H new ATOM 202 N THR A 14 5.521 -5.698 -0.682 1.00 0.00 N ATOM 203 CA THR A 14 5.753 -5.322 -2.073 1.00 0.00 C ATOM 204 C THR A 14 4.986 -4.035 -2.409 1.00 0.00 C ATOM 205 O THR A 14 3.789 -3.934 -2.135 1.00 0.00 O ATOM 206 CB THR A 14 5.445 -6.495 -3.018 1.00 0.00 C ATOM 207 OG1 THR A 14 6.015 -6.227 -4.282 1.00 0.00 O ATOM 208 CG2 THR A 14 3.950 -6.775 -3.190 1.00 0.00 C ATOM 0 H THR A 14 4.853 -6.458 -0.551 1.00 0.00 H new ATOM 0 HA THR A 14 6.809 -5.098 -2.220 1.00 0.00 H new ATOM 0 HB THR A 14 5.877 -7.387 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.825 -6.971 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.813 -7.616 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.511 -7.017 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.459 -5.892 -3.600 1.00 0.00 H new ATOM 216 N PHE A 15 5.679 -3.030 -2.956 1.00 0.00 N ATOM 217 CA PHE A 15 5.093 -1.786 -3.425 1.00 0.00 C ATOM 218 C PHE A 15 4.877 -1.896 -4.922 1.00 0.00 C ATOM 219 O PHE A 15 5.814 -1.676 -5.693 1.00 0.00 O ATOM 220 CB PHE A 15 6.040 -0.600 -3.220 1.00 0.00 C ATOM 221 CG PHE A 15 6.211 -0.063 -1.826 1.00 0.00 C ATOM 222 CD1 PHE A 15 6.281 -0.928 -0.720 1.00 0.00 C ATOM 223 CD2 PHE A 15 6.507 1.303 -1.667 1.00 0.00 C ATOM 224 CE1 PHE A 15 6.575 -0.424 0.550 1.00 0.00 C ATOM 225 CE2 PHE A 15 6.922 1.779 -0.419 1.00 0.00 C ATOM 226 CZ PHE A 15 6.902 0.927 0.694 1.00 0.00 C ATOM 0 H PHE A 15 6.690 -3.068 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 15 4.170 -1.624 -2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.024 -0.891 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.692 0.217 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.107 -1.986 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.414 1.980 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.550 -1.073 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.257 2.800 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.141 1.318 1.672 1.00 0.00 H new ATOM 236 N ASP A 16 3.634 -2.111 -5.331 1.00 0.00 N ATOM 237 CA ASP A 16 3.188 -1.894 -6.695 1.00 0.00 C ATOM 238 C ASP A 16 3.204 -0.386 -6.995 1.00 0.00 C ATOM 239 O ASP A 16 2.157 0.224 -7.183 1.00 0.00 O ATOM 240 CB ASP A 16 1.786 -2.505 -6.827 1.00 0.00 C ATOM 241 CG ASP A 16 1.833 -3.994 -7.116 1.00 0.00 C ATOM 242 OD1 ASP A 16 2.274 -4.736 -6.214 1.00 0.00 O ATOM 243 OD2 ASP A 16 1.433 -4.350 -8.246 1.00 0.00 O ATOM 0 H ASP A 16 2.897 -2.447 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 16 3.845 -2.372 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.229 -2.333 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.245 -1.999 -7.626 1.00 0.00 H new ATOM 248 N HIS A 17 4.390 0.232 -7.037 1.00 0.00 N ATOM 249 CA HIS A 17 4.527 1.685 -7.103 1.00 0.00 C ATOM 250 C HIS A 17 4.004 2.210 -8.448 1.00 0.00 C ATOM 251 O HIS A 17 2.939 2.823 -8.520 1.00 0.00 O ATOM 252 CB HIS A 17 5.995 2.090 -6.842 1.00 0.00 C ATOM 253 CG HIS A 17 6.191 3.347 -6.030 1.00 0.00 C ATOM 254 ND1 HIS A 17 7.257 3.601 -5.197 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.321 4.401 -5.917 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.020 4.774 -4.587 1.00 0.00 C ATOM 257 NE2 HIS A 17 5.850 5.298 -4.985 1.00 0.00 N ATOM 0 H HIS A 17 5.281 -0.265 -7.026 1.00 0.00 H new ATOM 0 HA HIS A 17 3.920 2.145 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.495 1.267 -6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.494 2.218 -7.803 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.076 3.008 -5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.391 4.517 -6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.684 5.235 -3.870 1.00 0.00 H new ATOM 265 N LYS A 18 4.755 1.957 -9.526 1.00 0.00 N ATOM 266 CA LYS A 18 4.403 2.387 -10.870 1.00 0.00 C ATOM 267 C LYS A 18 3.058 1.783 -11.237 1.00 0.00 C ATOM 268 O LYS A 18 2.174 2.482 -11.704 1.00 0.00 O ATOM 269 CB LYS A 18 5.507 1.992 -11.856 1.00 0.00 C ATOM 270 CG LYS A 18 5.041 2.021 -13.306 1.00 0.00 C ATOM 271 CD LYS A 18 6.231 1.859 -14.256 1.00 0.00 C ATOM 272 CE LYS A 18 5.830 1.831 -15.737 1.00 0.00 C ATOM 273 NZ LYS A 18 4.916 0.716 -16.062 1.00 0.00 N ATOM 0 H LYS A 18 5.634 1.441 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 18 4.315 3.472 -10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.353 2.669 -11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.863 0.991 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.320 1.222 -13.478 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.530 2.962 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.931 2.678 -14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.758 0.936 -14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.351 2.775 -15.997 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.727 1.750 -16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.812 0.642 -17.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.306 -0.173 -15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.986 0.893 -15.633 1.00 0.00 H new ATOM 287 N ALA A 19 2.915 0.483 -11.007 1.00 0.00 N ATOM 288 CA ALA A 19 1.660 -0.246 -11.092 1.00 0.00 C ATOM 289 C ALA A 19 0.469 0.564 -10.557 1.00 0.00 C ATOM 290 O ALA A 19 -0.435 0.903 -11.314 1.00 0.00 O ATOM 291 CB ALA A 19 1.828 -1.538 -10.310 1.00 0.00 C ATOM 0 H ALA A 19 3.701 -0.113 -10.747 1.00 0.00 H new ATOM 0 HA ALA A 19 1.434 -0.449 -12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.902 -2.112 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.638 -2.123 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.064 -1.307 -9.271 1.00 0.00 H new ATOM 297 N HIS A 20 0.436 0.899 -9.266 1.00 0.00 N ATOM 298 CA HIS A 20 -0.663 1.694 -8.732 1.00 0.00 C ATOM 299 C HIS A 20 -0.667 3.087 -9.371 1.00 0.00 C ATOM 300 O HIS A 20 -1.721 3.684 -9.569 1.00 0.00 O ATOM 301 CB HIS A 20 -0.624 1.740 -7.197 1.00 0.00 C ATOM 302 CG HIS A 20 -1.053 0.447 -6.531 1.00 0.00 C ATOM 303 ND1 HIS A 20 -0.897 -0.810 -7.059 1.00 0.00 N ATOM 304 CD2 HIS A 20 -1.719 0.299 -5.340 1.00 0.00 C ATOM 305 CE1 HIS A 20 -1.433 -1.690 -6.195 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.944 -1.066 -5.123 1.00 0.00 N ATOM 0 H HIS A 20 1.147 0.636 -8.583 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.607 1.216 -8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.389 1.983 -6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.270 2.547 -6.851 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.453 -1.037 -7.949 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.019 1.100 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.450 -2.759 -6.345 1.00 0.00 H new ATOM 314 N ALA A 21 0.496 3.615 -9.750 1.00 0.00 N ATOM 315 CA ALA A 21 0.538 4.902 -10.437 1.00 0.00 C ATOM 316 C ALA A 21 -0.176 4.864 -11.804 1.00 0.00 C ATOM 317 O ALA A 21 -0.869 5.801 -12.179 1.00 0.00 O ATOM 318 CB ALA A 21 1.979 5.403 -10.554 1.00 0.00 C ATOM 0 H ALA A 21 1.406 3.180 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.018 5.617 -9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.990 6.364 -11.069 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.405 5.521 -9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.570 4.682 -11.119 1.00 0.00 H new ATOM 324 N GLU A 22 -0.027 3.784 -12.567 1.00 0.00 N ATOM 325 CA GLU A 22 -0.601 3.659 -13.905 1.00 0.00 C ATOM 326 C GLU A 22 -2.059 3.203 -13.807 1.00 0.00 C ATOM 327 O GLU A 22 -2.919 3.706 -14.525 1.00 0.00 O ATOM 328 CB GLU A 22 0.266 2.760 -14.811 1.00 0.00 C ATOM 329 CG GLU A 22 0.370 1.313 -14.319 1.00 0.00 C ATOM 330 CD GLU A 22 1.241 0.417 -15.176 1.00 0.00 C ATOM 331 OE1 GLU A 22 2.393 0.811 -15.462 1.00 0.00 O ATOM 332 OE2 GLU A 22 0.740 -0.685 -15.490 1.00 0.00 O ATOM 0 H GLU A 22 0.501 2.963 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.604 4.636 -14.388 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.151 2.764 -15.818 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.267 3.185 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.764 1.316 -13.303 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.632 0.886 -14.272 1.00 0.00 H new ATOM 339 N LYS A 23 -2.338 2.237 -12.926 1.00 0.00 N ATOM 340 CA LYS A 23 -3.672 1.699 -12.725 1.00 0.00 C ATOM 341 C LYS A 23 -4.572 2.718 -12.018 1.00 0.00 C ATOM 342 O LYS A 23 -5.742 2.834 -12.374 1.00 0.00 O ATOM 343 CB LYS A 23 -3.586 0.378 -11.944 1.00 0.00 C ATOM 344 CG LYS A 23 -2.746 -0.715 -12.633 1.00 0.00 C ATOM 345 CD LYS A 23 -3.348 -1.180 -13.963 1.00 0.00 C ATOM 346 CE LYS A 23 -2.569 -2.360 -14.569 1.00 0.00 C ATOM 347 NZ LYS A 23 -1.456 -1.938 -15.451 1.00 0.00 N ATOM 0 H LYS A 23 -1.631 1.807 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.124 1.494 -13.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.162 0.579 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.595 -0.002 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.739 -0.336 -12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.652 -1.570 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.386 -1.473 -13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.353 -0.349 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.171 -2.975 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.256 -2.986 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.015 -2.777 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.823 -1.318 -16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.747 -1.422 -14.892 1.00 0.00 H new ATOM 361 N LEU A 24 -4.047 3.431 -11.014 1.00 0.00 N ATOM 362 CA LEU A 24 -4.801 4.413 -10.242 1.00 0.00 C ATOM 363 C LEU A 24 -4.474 5.826 -10.733 1.00 0.00 C ATOM 364 O LEU A 24 -5.343 6.491 -11.292 1.00 0.00 O ATOM 365 CB LEU A 24 -4.549 4.274 -8.729 1.00 0.00 C ATOM 366 CG LEU A 24 -4.445 2.831 -8.206 1.00 0.00 C ATOM 367 CD1 LEU A 24 -4.100 2.869 -6.717 1.00 0.00 C ATOM 368 CD2 LEU A 24 -5.746 2.053 -8.392 1.00 0.00 C ATOM 0 H LEU A 24 -3.076 3.338 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.863 4.224 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.626 4.799 -8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.355 4.778 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.669 2.324 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.024 1.851 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.148 3.381 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.882 3.402 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.623 1.040 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.549 2.552 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.996 2.011 -9.452 1.00 0.00 H new ATOM 380 N GLY A 25 -3.236 6.295 -10.528 1.00 0.00 N ATOM 381 CA GLY A 25 -2.839 7.646 -10.895 1.00 0.00 C ATOM 382 C GLY A 25 -1.622 8.070 -10.077 1.00 0.00 C ATOM 383 O GLY A 25 -0.484 7.946 -10.522 1.00 0.00 O ATOM 0 H GLY A 25 -2.489 5.745 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.606 7.690 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.664 8.337 -10.721 1.00 0.00 H new ATOM 387 N CYS A 26 -1.862 8.576 -8.868 1.00 0.00 N ATOM 388 CA CYS A 26 -0.829 9.093 -7.959 1.00 0.00 C ATOM 389 C CYS A 26 -1.517 9.608 -6.695 1.00 0.00 C ATOM 390 O CYS A 26 -1.214 9.195 -5.573 1.00 0.00 O ATOM 391 CB CYS A 26 -0.027 10.215 -8.603 1.00 0.00 C ATOM 392 SG CYS A 26 1.647 10.284 -7.917 1.00 0.00 S ATOM 0 H CYS A 26 -2.803 8.641 -8.480 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.132 8.289 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.023 10.060 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.531 11.168 -8.441 1.00 0.00 H new ATOM 397 N ASP A 27 -2.509 10.458 -6.963 1.00 0.00 N ATOM 398 CA ASP A 27 -3.591 10.934 -6.117 1.00 0.00 C ATOM 399 C ASP A 27 -4.001 9.888 -5.088 1.00 0.00 C ATOM 400 O ASP A 27 -4.169 10.187 -3.909 1.00 0.00 O ATOM 401 CB ASP A 27 -4.779 11.261 -7.046 1.00 0.00 C ATOM 402 CG ASP A 27 -5.268 10.080 -7.896 1.00 0.00 C ATOM 403 OD1 ASP A 27 -4.425 9.198 -8.210 1.00 0.00 O ATOM 404 OD2 ASP A 27 -6.473 10.074 -8.214 1.00 0.00 O ATOM 0 H ASP A 27 -2.576 10.876 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.268 11.813 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.609 11.623 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.490 12.075 -7.711 1.00 0.00 H new ATOM 409 N ALA A 28 -4.138 8.655 -5.570 1.00 0.00 N ATOM 410 CA ALA A 28 -4.452 7.454 -4.826 1.00 0.00 C ATOM 411 C ALA A 28 -3.753 7.398 -3.467 1.00 0.00 C ATOM 412 O ALA A 28 -4.348 6.945 -2.492 1.00 0.00 O ATOM 413 CB ALA A 28 -4.039 6.259 -5.683 1.00 0.00 C ATOM 0 H ALA A 28 -4.022 8.463 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.521 7.442 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.263 5.335 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.590 6.278 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.970 6.310 -5.888 1.00 0.00 H new ATOM 419 N CYS A 29 -2.484 7.815 -3.429 1.00 0.00 N ATOM 420 CA CYS A 29 -1.641 7.735 -2.243 1.00 0.00 C ATOM 421 C CYS A 29 -0.999 9.080 -1.898 1.00 0.00 C ATOM 422 O CYS A 29 -0.852 9.404 -0.721 1.00 0.00 O ATOM 423 CB CYS A 29 -0.573 6.701 -2.463 1.00 0.00 C ATOM 424 SG CYS A 29 -1.285 5.116 -2.988 1.00 0.00 S ATOM 0 H CYS A 29 -2.011 8.223 -4.235 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.273 7.453 -1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.128 7.055 -3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.006 6.560 -1.543 1.00 0.00 H new ATOM 429 N HIS A 30 -0.564 9.842 -2.905 1.00 0.00 N ATOM 430 CA HIS A 30 0.187 11.072 -2.723 1.00 0.00 C ATOM 431 C HIS A 30 -0.648 12.235 -3.249 1.00 0.00 C ATOM 432 O HIS A 30 -0.884 12.309 -4.453 1.00 0.00 O ATOM 433 CB HIS A 30 1.495 11.000 -3.514 1.00 0.00 C ATOM 434 CG HIS A 30 2.461 9.922 -3.087 1.00 0.00 C ATOM 435 ND1 HIS A 30 3.355 9.937 -2.028 1.00 0.00 N ATOM 436 CD2 HIS A 30 2.824 8.888 -3.894 1.00 0.00 C ATOM 437 CE1 HIS A 30 4.224 8.926 -2.227 1.00 0.00 C ATOM 438 NE2 HIS A 30 3.946 8.270 -3.358 1.00 0.00 N ATOM 0 H HIS A 30 -0.730 9.611 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 30 0.412 11.213 -1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.254 10.850 -4.566 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.998 11.964 -3.437 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.355 10.591 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.321 8.596 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.037 8.679 -1.561 1.00 0.00 H new ATOM 446 N GLU A 31 -1.043 13.157 -2.368 1.00 0.00 N ATOM 447 CA GLU A 31 -1.695 14.394 -2.771 1.00 0.00 C ATOM 448 C GLU A 31 -0.637 15.417 -3.209 1.00 0.00 C ATOM 449 O GLU A 31 0.130 15.175 -4.137 1.00 0.00 O ATOM 450 CB GLU A 31 -2.585 14.919 -1.633 1.00 0.00 C ATOM 451 CG GLU A 31 -3.701 13.945 -1.265 1.00 0.00 C ATOM 452 CD GLU A 31 -4.666 14.564 -0.258 1.00 0.00 C ATOM 453 OE1 GLU A 31 -4.210 15.462 0.484 1.00 0.00 O ATOM 454 OE2 GLU A 31 -5.842 14.146 -0.262 1.00 0.00 O ATOM 0 H GLU A 31 -0.918 13.063 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.346 14.210 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.970 15.110 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.023 15.872 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.246 13.656 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.270 13.035 -0.847 1.00 0.00 H new ATOM 461 N GLY A 32 -0.599 16.568 -2.529 1.00 0.00 N ATOM 462 CA GLY A 32 0.179 17.737 -2.921 1.00 0.00 C ATOM 463 C GLY A 32 1.648 17.428 -3.214 1.00 0.00 C ATOM 464 O GLY A 32 2.177 17.863 -4.236 1.00 0.00 O ATOM 0 H GLY A 32 -1.125 16.711 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.273 18.183 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.125 18.481 -2.127 1.00 0.00 H new ATOM 468 N THR A 33 2.304 16.698 -2.309 1.00 0.00 N ATOM 469 CA THR A 33 3.728 16.399 -2.377 1.00 0.00 C ATOM 470 C THR A 33 3.906 14.931 -1.978 1.00 0.00 C ATOM 471 O THR A 33 3.301 14.519 -0.990 1.00 0.00 O ATOM 472 CB THR A 33 4.479 17.333 -1.413 1.00 0.00 C ATOM 473 OG1 THR A 33 4.058 18.669 -1.606 1.00 0.00 O ATOM 474 CG2 THR A 33 5.991 17.270 -1.637 1.00 0.00 C ATOM 0 H THR A 33 1.846 16.292 -1.493 1.00 0.00 H new ATOM 0 HA THR A 33 4.128 16.556 -3.379 1.00 0.00 H new ATOM 0 HB THR A 33 4.253 17.003 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.540 19.257 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.491 17.942 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.341 16.251 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.220 17.572 -2.659 1.00 0.00 H new ATOM 482 N PRO A 34 4.690 14.123 -2.712 1.00 0.00 N ATOM 483 CA PRO A 34 4.763 12.697 -2.452 1.00 0.00 C ATOM 484 C PRO A 34 5.537 12.358 -1.177 1.00 0.00 C ATOM 485 O PRO A 34 5.058 11.535 -0.399 1.00 0.00 O ATOM 486 CB PRO A 34 5.352 12.049 -3.702 1.00 0.00 C ATOM 487 CG PRO A 34 6.157 13.183 -4.323 1.00 0.00 C ATOM 488 CD PRO A 34 5.367 14.442 -3.956 1.00 0.00 C ATOM 0 HA PRO A 34 3.767 12.299 -2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.981 11.194 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.574 11.689 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.171 13.218 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.243 13.066 -5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.029 15.300 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.652 14.699 -4.738 1.00 0.00 H new ATOM 496 N ALA A 35 6.720 12.973 -1.023 1.00 0.00 N ATOM 497 CA ALA A 35 7.647 13.024 0.116 1.00 0.00 C ATOM 498 C ALA A 35 7.616 11.883 1.146 1.00 0.00 C ATOM 499 O ALA A 35 7.846 12.135 2.326 1.00 0.00 O ATOM 500 CB ALA A 35 7.505 14.391 0.799 1.00 0.00 C ATOM 0 H ALA A 35 7.097 13.518 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 35 8.629 12.874 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.187 14.446 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.747 15.180 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.480 14.519 1.148 1.00 0.00 H new ATOM 506 N LYS A 36 7.432 10.639 0.699 1.00 0.00 N ATOM 507 CA LYS A 36 7.246 9.458 1.540 1.00 0.00 C ATOM 508 C LYS A 36 5.929 9.521 2.311 1.00 0.00 C ATOM 509 O LYS A 36 5.505 10.579 2.765 1.00 0.00 O ATOM 510 CB LYS A 36 8.419 9.180 2.493 1.00 0.00 C ATOM 511 CG LYS A 36 9.745 9.125 1.733 1.00 0.00 C ATOM 512 CD LYS A 36 10.876 8.482 2.544 1.00 0.00 C ATOM 513 CE LYS A 36 10.584 6.980 2.696 1.00 0.00 C ATOM 514 NZ LYS A 36 11.614 6.107 2.111 1.00 0.00 N ATOM 0 H LYS A 36 7.408 10.420 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 36 7.210 8.617 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.465 9.958 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.254 8.236 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.604 8.564 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.038 10.136 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.832 8.632 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.953 8.953 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.483 6.746 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.625 6.758 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.265 5.128 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.830 6.424 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.477 6.151 2.690 1.00 0.00 H new ATOM 528 N ILE A 37 5.266 8.370 2.438 1.00 0.00 N ATOM 529 CA ILE A 37 3.924 8.364 3.043 1.00 0.00 C ATOM 530 C ILE A 37 3.995 8.175 4.548 1.00 0.00 C ATOM 531 O ILE A 37 3.307 8.853 5.307 1.00 0.00 O ATOM 532 CB ILE A 37 3.013 7.315 2.396 1.00 0.00 C ATOM 533 CG1 ILE A 37 3.188 7.455 0.884 1.00 0.00 C ATOM 534 CG2 ILE A 37 1.559 7.509 2.856 1.00 0.00 C ATOM 535 CD1 ILE A 37 2.016 6.937 0.055 1.00 0.00 C ATOM 0 H ILE A 37 5.616 7.458 2.143 1.00 0.00 H new ATOM 0 HA ILE A 37 3.482 9.342 2.851 1.00 0.00 H new ATOM 0 HB ILE A 37 3.279 6.302 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.347 8.507 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.090 6.921 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.926 6.756 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.503 7.406 3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.216 8.503 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.229 7.078 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.868 5.876 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.112 7.487 0.319 1.00 0.00 H new ATOM 547 N ALA A 38 4.821 7.210 4.931 1.00 0.00 N ATOM 548 CA ALA A 38 5.078 6.665 6.253 1.00 0.00 C ATOM 549 C ALA A 38 4.267 5.388 6.431 1.00 0.00 C ATOM 550 O ALA A 38 3.459 5.254 7.353 1.00 0.00 O ATOM 551 CB ALA A 38 4.897 7.702 7.346 1.00 0.00 C ATOM 0 H ALA A 38 5.395 6.735 4.235 1.00 0.00 H new ATOM 0 HA ALA A 38 6.128 6.386 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.100 7.248 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.588 8.529 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.873 8.075 7.327 1.00 0.00 H new ATOM 557 N ILE A 39 4.490 4.438 5.521 1.00 0.00 N ATOM 558 CA ILE A 39 3.967 3.086 5.615 1.00 0.00 C ATOM 559 C ILE A 39 4.645 2.338 6.759 1.00 0.00 C ATOM 560 O ILE A 39 5.550 1.529 6.584 1.00 0.00 O ATOM 561 CB ILE A 39 4.065 2.416 4.249 1.00 0.00 C ATOM 562 CG1 ILE A 39 3.171 3.193 3.282 1.00 0.00 C ATOM 563 CG2 ILE A 39 3.658 0.941 4.238 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.671 3.282 3.601 1.00 0.00 C ATOM 0 H ILE A 39 5.051 4.596 4.684 1.00 0.00 H new ATOM 0 HA ILE A 39 2.908 3.085 5.872 1.00 0.00 H new ATOM 0 HB ILE A 39 5.114 2.435 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.559 4.209 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.276 2.743 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.758 0.544 3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.304 0.380 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.622 0.847 4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.168 3.863 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.246 2.279 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.533 3.768 4.567 1.00 0.00 H new ATOM 576 N ASP A 40 4.122 2.631 7.943 1.00 0.00 N ATOM 577 CA ASP A 40 4.302 1.868 9.167 1.00 0.00 C ATOM 578 C ASP A 40 3.175 0.854 9.250 1.00 0.00 C ATOM 579 O ASP A 40 2.154 0.986 8.571 1.00 0.00 O ATOM 580 CB ASP A 40 4.266 2.789 10.396 1.00 0.00 C ATOM 581 CG ASP A 40 4.322 2.029 11.714 1.00 0.00 C ATOM 582 OD1 ASP A 40 5.367 1.399 11.961 1.00 0.00 O ATOM 583 OD2 ASP A 40 3.286 1.978 12.416 1.00 0.00 O ATOM 0 H ASP A 40 3.530 3.450 8.080 1.00 0.00 H new ATOM 0 HA ASP A 40 5.272 1.370 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.105 3.483 10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.356 3.388 10.367 1.00 0.00 H new ATOM 588 N LYS A 41 3.362 -0.121 10.135 1.00 0.00 N ATOM 589 CA LYS A 41 2.353 -1.087 10.524 1.00 0.00 C ATOM 590 C LYS A 41 1.026 -0.397 10.794 1.00 0.00 C ATOM 591 O LYS A 41 -0.001 -0.785 10.240 1.00 0.00 O ATOM 592 CB LYS A 41 2.857 -1.975 11.673 1.00 0.00 C ATOM 593 CG LYS A 41 3.659 -1.418 12.862 1.00 0.00 C ATOM 594 CD LYS A 41 2.819 -0.884 14.027 1.00 0.00 C ATOM 595 CE LYS A 41 3.736 -0.096 14.971 1.00 0.00 C ATOM 596 NZ LYS A 41 2.972 0.594 16.025 1.00 0.00 N ATOM 0 H LYS A 41 4.252 -0.260 10.614 1.00 0.00 H new ATOM 0 HA LYS A 41 2.163 -1.770 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.980 -2.468 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.473 -2.752 11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.313 -2.205 13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.302 -0.615 12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.019 -0.244 13.654 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.345 -1.708 14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.456 -0.774 15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.306 0.635 14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.626 1.116 16.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.302 1.260 15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.447 -0.106 16.588 1.00 0.00 H new ATOM 610 N LYS A 42 1.069 0.659 11.602 1.00 0.00 N ATOM 611 CA LYS A 42 -0.056 1.504 11.897 1.00 0.00 C ATOM 612 C LYS A 42 -0.689 1.974 10.588 1.00 0.00 C ATOM 613 O LYS A 42 -1.759 1.495 10.231 1.00 0.00 O ATOM 614 CB LYS A 42 0.427 2.659 12.786 1.00 0.00 C ATOM 615 CG LYS A 42 -0.758 3.467 13.293 1.00 0.00 C ATOM 616 CD LYS A 42 -0.270 4.682 14.093 1.00 0.00 C ATOM 617 CE LYS A 42 -1.460 5.506 14.605 1.00 0.00 C ATOM 618 NZ LYS A 42 -1.024 6.714 15.338 1.00 0.00 N ATOM 0 H LYS A 42 1.923 0.949 12.079 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.831 0.968 12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.994 2.265 13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.101 3.304 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.368 3.798 12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.392 2.841 13.920 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.338 4.350 14.934 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.367 5.305 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.087 5.800 13.763 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.075 4.887 15.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.858 7.241 15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.447 6.434 16.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.459 7.318 14.707 1.00 0.00 H new ATOM 632 N SER A 43 -0.050 2.911 9.884 1.00 0.00 N ATOM 633 CA SER A 43 -0.579 3.538 8.686 1.00 0.00 C ATOM 634 C SER A 43 -1.171 2.499 7.733 1.00 0.00 C ATOM 635 O SER A 43 -2.362 2.537 7.428 1.00 0.00 O ATOM 636 CB SER A 43 0.553 4.329 8.027 1.00 0.00 C ATOM 637 OG SER A 43 1.319 4.972 9.029 1.00 0.00 O ATOM 0 H SER A 43 0.873 3.259 10.144 1.00 0.00 H new ATOM 0 HA SER A 43 -1.394 4.214 8.946 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.186 3.662 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.143 5.067 7.337 1.00 0.00 H new ATOM 0 HG SER A 43 2.197 5.213 8.666 1.00 0.00 H new ATOM 643 N ALA A 44 -0.327 1.552 7.321 1.00 0.00 N ATOM 644 CA ALA A 44 -0.645 0.431 6.457 1.00 0.00 C ATOM 645 C ALA A 44 -1.928 -0.275 6.857 1.00 0.00 C ATOM 646 O ALA A 44 -2.821 -0.454 6.025 1.00 0.00 O ATOM 647 CB ALA A 44 0.505 -0.562 6.531 1.00 0.00 C ATOM 0 H ALA A 44 0.653 1.554 7.602 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.790 0.815 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.290 -1.416 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.424 -0.080 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.626 -0.903 7.559 1.00 0.00 H new ATOM 653 N HIS A 45 -1.993 -0.723 8.112 1.00 0.00 N ATOM 654 CA HIS A 45 -3.133 -1.484 8.577 1.00 0.00 C ATOM 655 C HIS A 45 -4.314 -0.584 8.951 1.00 0.00 C ATOM 656 O HIS A 45 -5.416 -1.110 9.111 1.00 0.00 O ATOM 657 CB HIS A 45 -2.742 -2.470 9.682 1.00 0.00 C ATOM 658 CG HIS A 45 -2.204 -3.791 9.172 1.00 0.00 C ATOM 659 ND1 HIS A 45 -2.633 -5.013 9.624 1.00 0.00 N ATOM 660 CD2 HIS A 45 -1.210 -4.022 8.245 1.00 0.00 C ATOM 661 CE1 HIS A 45 -1.920 -5.951 8.988 1.00 0.00 C ATOM 662 NE2 HIS A 45 -1.035 -5.413 8.132 1.00 0.00 N ATOM 0 H HIS A 45 -1.270 -0.569 8.814 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.484 -2.092 7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.989 -2.005 10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.614 -2.662 10.307 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.362 -5.177 10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.662 -3.267 7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.042 -7.013 9.144 1.00 0.00 H new ATOM 670 N LYS A 46 -4.110 0.730 9.074 1.00 0.00 N ATOM 671 CA LYS A 46 -5.106 1.691 9.520 1.00 0.00 C ATOM 672 C LYS A 46 -5.749 2.350 8.295 1.00 0.00 C ATOM 673 O LYS A 46 -6.861 1.982 7.916 1.00 0.00 O ATOM 674 CB LYS A 46 -4.407 2.661 10.494 1.00 0.00 C ATOM 675 CG LYS A 46 -5.262 3.715 11.209 1.00 0.00 C ATOM 676 CD LYS A 46 -5.518 4.939 10.326 1.00 0.00 C ATOM 677 CE LYS A 46 -5.901 6.182 11.142 1.00 0.00 C ATOM 678 NZ LYS A 46 -6.202 7.331 10.262 1.00 0.00 N ATOM 0 H LYS A 46 -3.213 1.163 8.856 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.932 1.234 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.908 2.064 11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.628 3.185 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.214 3.272 11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.762 4.027 12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.624 5.154 9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.316 4.712 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.769 5.959 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.085 6.442 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.490 8.146 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.354 7.579 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.974 7.078 9.612 1.00 0.00 H new ATOM 692 N ASP A 47 -5.043 3.296 7.668 1.00 0.00 N ATOM 693 CA ASP A 47 -5.527 4.086 6.541 1.00 0.00 C ATOM 694 C ASP A 47 -4.398 4.176 5.527 1.00 0.00 C ATOM 695 O ASP A 47 -3.787 5.230 5.356 1.00 0.00 O ATOM 696 CB ASP A 47 -6.018 5.493 6.941 1.00 0.00 C ATOM 697 CG ASP A 47 -7.456 5.545 7.441 1.00 0.00 C ATOM 698 OD1 ASP A 47 -8.307 4.827 6.883 1.00 0.00 O ATOM 699 OD2 ASP A 47 -7.678 6.333 8.389 1.00 0.00 O ATOM 0 H ASP A 47 -4.091 3.537 7.942 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.401 3.589 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.362 5.885 7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.922 6.155 6.080 1.00 0.00 H new ATOM 704 N ALA A 48 -4.128 3.064 4.847 1.00 0.00 N ATOM 705 CA ALA A 48 -3.307 3.081 3.656 1.00 0.00 C ATOM 706 C ALA A 48 -3.586 1.812 2.861 1.00 0.00 C ATOM 707 O ALA A 48 -4.560 1.742 2.111 1.00 0.00 O ATOM 708 CB ALA A 48 -1.824 3.284 4.009 1.00 0.00 C ATOM 0 H ALA A 48 -4.471 2.140 5.108 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.562 3.931 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.230 3.293 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.701 4.233 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.488 2.470 4.652 1.00 0.00 H new ATOM 714 N CYS A 49 -2.736 0.800 3.024 1.00 0.00 N ATOM 715 CA CYS A 49 -2.805 -0.376 2.179 1.00 0.00 C ATOM 716 C CYS A 49 -4.032 -1.201 2.568 1.00 0.00 C ATOM 717 O CYS A 49 -4.933 -1.418 1.758 1.00 0.00 O ATOM 718 CB CYS A 49 -1.532 -1.185 2.236 1.00 0.00 C ATOM 719 SG CYS A 49 0.020 -0.231 2.209 1.00 0.00 S ATOM 0 H CYS A 49 -1.999 0.776 3.729 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.910 -0.062 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.549 -1.789 3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.526 -1.876 1.393 1.00 0.00 H new ATOM 724 N LYS A 50 -4.126 -1.664 3.815 1.00 0.00 N ATOM 725 CA LYS A 50 -5.191 -2.568 4.237 1.00 0.00 C ATOM 726 C LYS A 50 -6.457 -1.773 4.588 1.00 0.00 C ATOM 727 O LYS A 50 -7.056 -1.978 5.648 1.00 0.00 O ATOM 728 CB LYS A 50 -4.676 -3.406 5.407 1.00 0.00 C ATOM 729 CG LYS A 50 -5.477 -4.690 5.651 1.00 0.00 C ATOM 730 CD LYS A 50 -5.252 -5.175 7.089 1.00 0.00 C ATOM 731 CE LYS A 50 -6.311 -4.652 8.076 1.00 0.00 C ATOM 732 NZ LYS A 50 -6.516 -3.188 8.022 1.00 0.00 N ATOM 0 H LYS A 50 -3.468 -1.423 4.556 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.469 -3.244 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.634 -3.669 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.696 -2.799 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.538 -4.506 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.170 -5.461 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.258 -6.265 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.264 -4.857 7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.259 -5.149 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.017 -4.930 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.332 -2.930 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.666 -2.705 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.694 -2.898 7.039 1.00 0.00 H new ATOM 746 N THR A 51 -6.854 -0.900 3.662 1.00 0.00 N ATOM 747 CA THR A 51 -7.934 0.065 3.750 1.00 0.00 C ATOM 748 C THR A 51 -8.567 0.139 2.355 1.00 0.00 C ATOM 749 O THR A 51 -9.758 -0.125 2.178 1.00 0.00 O ATOM 750 CB THR A 51 -7.370 1.429 4.195 1.00 0.00 C ATOM 751 OG1 THR A 51 -6.422 1.268 5.239 1.00 0.00 O ATOM 752 CG2 THR A 51 -8.507 2.361 4.626 1.00 0.00 C ATOM 0 H THR A 51 -6.385 -0.851 2.758 1.00 0.00 H new ATOM 0 HA THR A 51 -8.686 -0.224 4.485 1.00 0.00 H new ATOM 0 HB THR A 51 -6.857 1.883 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.841 1.485 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.093 3.320 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.189 2.514 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.049 1.912 5.458 1.00 0.00 H new ATOM 760 N CYS A 52 -7.750 0.429 1.337 1.00 0.00 N ATOM 761 CA CYS A 52 -8.211 0.416 -0.042 1.00 0.00 C ATOM 762 C CYS A 52 -8.725 -0.965 -0.434 1.00 0.00 C ATOM 763 O CYS A 52 -9.857 -1.095 -0.891 1.00 0.00 O ATOM 764 CB CYS A 52 -7.103 0.811 -0.975 1.00 0.00 C ATOM 765 SG CYS A 52 -7.315 2.507 -1.576 1.00 0.00 S ATOM 0 H CYS A 52 -6.766 0.675 1.449 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.026 1.135 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.145 0.722 -0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.076 0.125 -1.821 1.00 0.00 H new ATOM 770 N HIS A 53 -7.894 -2.001 -0.313 1.00 0.00 N ATOM 771 CA HIS A 53 -8.261 -3.316 -0.836 1.00 0.00 C ATOM 772 C HIS A 53 -9.489 -3.859 -0.092 1.00 0.00 C ATOM 773 O HIS A 53 -10.298 -4.582 -0.674 1.00 0.00 O ATOM 774 CB HIS A 53 -7.088 -4.307 -0.826 1.00 0.00 C ATOM 775 CG HIS A 53 -5.763 -3.690 -1.182 1.00 0.00 C ATOM 776 ND1 HIS A 53 -4.973 -3.026 -0.285 1.00 0.00 N ATOM 777 CD2 HIS A 53 -5.229 -3.478 -2.425 1.00 0.00 C ATOM 778 CE1 HIS A 53 -3.992 -2.435 -0.971 1.00 0.00 C ATOM 779 NE2 HIS A 53 -4.091 -2.680 -2.275 1.00 0.00 N ATOM 0 H HIS A 53 -6.978 -1.957 0.134 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.527 -3.193 -1.886 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.014 -4.756 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.301 -5.114 -1.527 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -5.109 -2.989 0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.618 -3.860 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.215 -1.833 -0.523 1.00 0.00 H new ATOM 787 N LYS A 54 -9.649 -3.480 1.184 1.00 0.00 N ATOM 788 CA LYS A 54 -10.892 -3.712 1.906 1.00 0.00 C ATOM 789 C LYS A 54 -12.062 -3.113 1.127 1.00 0.00 C ATOM 790 O LYS A 54 -13.027 -3.800 0.818 1.00 0.00 O ATOM 791 CB LYS A 54 -10.876 -3.108 3.304 1.00 0.00 C ATOM 792 CG LYS A 54 -9.870 -3.798 4.226 1.00 0.00 C ATOM 793 CD LYS A 54 -9.989 -3.178 5.618 1.00 0.00 C ATOM 794 CE LYS A 54 -11.250 -3.595 6.399 1.00 0.00 C ATOM 795 NZ LYS A 54 -11.537 -2.682 7.526 1.00 0.00 N ATOM 0 H LYS A 54 -8.927 -3.011 1.731 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.004 -4.792 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.634 -2.047 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.873 -3.180 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.068 -4.869 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.857 -3.676 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.109 -3.453 6.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.980 -2.092 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.104 -3.614 5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.121 -4.609 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.393 -3.001 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.734 -2.683 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.686 -1.719 7.163 1.00 0.00 H new ATOM 809 N SER A 55 -11.965 -1.815 0.832 1.00 0.00 N ATOM 810 CA SER A 55 -13.003 -1.075 0.131 1.00 0.00 C ATOM 811 C SER A 55 -13.276 -1.675 -1.253 1.00 0.00 C ATOM 812 O SER A 55 -14.422 -1.745 -1.682 1.00 0.00 O ATOM 813 CB SER A 55 -12.602 0.401 0.032 1.00 0.00 C ATOM 814 OG SER A 55 -12.221 0.898 1.305 1.00 0.00 O ATOM 0 H SER A 55 -11.154 -1.247 1.078 1.00 0.00 H new ATOM 0 HA SER A 55 -13.932 -1.148 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.777 0.513 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.435 0.985 -0.359 1.00 0.00 H new ATOM 0 HG SER A 55 -11.305 0.613 1.507 1.00 0.00 H new ATOM 820 N ASN A 56 -12.218 -2.094 -1.954 1.00 0.00 N ATOM 821 CA ASN A 56 -12.332 -2.722 -3.267 1.00 0.00 C ATOM 822 C ASN A 56 -13.047 -4.070 -3.157 1.00 0.00 C ATOM 823 O ASN A 56 -13.869 -4.391 -4.012 1.00 0.00 O ATOM 824 CB ASN A 56 -10.960 -2.900 -3.933 1.00 0.00 C ATOM 825 CG ASN A 56 -10.390 -1.605 -4.514 1.00 0.00 C ATOM 826 OD1 ASN A 56 -10.437 -1.386 -5.719 1.00 0.00 O ATOM 827 ND2 ASN A 56 -9.829 -0.730 -3.684 1.00 0.00 N ATOM 0 H ASN A 56 -11.257 -2.005 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.923 -2.057 -3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.259 -3.300 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.045 -3.639 -4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.431 0.136 -4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.797 -0.925 -2.683 1.00 0.00 H new ATOM 834 N ASN A 57 -12.716 -4.878 -2.141 1.00 0.00 N ATOM 835 CA ASN A 57 -13.314 -6.197 -1.956 1.00 0.00 C ATOM 836 C ASN A 57 -13.462 -6.521 -0.466 1.00 0.00 C ATOM 837 O ASN A 57 -14.572 -6.499 0.062 1.00 0.00 O ATOM 838 CB ASN A 57 -12.490 -7.247 -2.720 1.00 0.00 C ATOM 839 CG ASN A 57 -13.094 -8.651 -2.668 1.00 0.00 C ATOM 840 OD1 ASN A 57 -13.762 -9.033 -1.714 1.00 0.00 O ATOM 841 ND2 ASN A 57 -12.857 -9.452 -3.703 1.00 0.00 N ATOM 0 H ASN A 57 -12.028 -4.632 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 57 -14.322 -6.208 -2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.398 -6.938 -3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.482 -7.278 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.233 -10.400 -3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.299 -9.118 -4.489 1.00 0.00 H new ATOM 848 N GLY A 58 -12.358 -6.845 0.213 1.00 0.00 N ATOM 849 CA GLY A 58 -12.403 -7.292 1.596 1.00 0.00 C ATOM 850 C GLY A 58 -11.112 -8.025 1.966 1.00 0.00 C ATOM 851 O GLY A 58 -10.404 -8.498 1.078 1.00 0.00 O ATOM 0 H GLY A 58 -11.418 -6.803 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.544 -6.436 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.258 -7.952 1.743 1.00 0.00 H new ATOM 855 N PRO A 59 -10.787 -8.127 3.265 1.00 0.00 N ATOM 856 CA PRO A 59 -9.725 -8.994 3.751 1.00 0.00 C ATOM 857 C PRO A 59 -10.250 -10.430 3.736 1.00 0.00 C ATOM 858 O PRO A 59 -11.447 -10.640 3.936 1.00 0.00 O ATOM 859 CB PRO A 59 -9.461 -8.506 5.176 1.00 0.00 C ATOM 860 CG PRO A 59 -10.853 -8.074 5.652 1.00 0.00 C ATOM 861 CD PRO A 59 -11.550 -7.582 4.378 1.00 0.00 C ATOM 0 HA PRO A 59 -8.812 -8.970 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.046 -9.295 5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.752 -7.678 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.394 -8.904 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.791 -7.285 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.585 -7.921 4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.570 -6.493 4.341 1.00 0.00 H new ATOM 869 N THR A 60 -9.392 -11.423 3.487 1.00 0.00 N ATOM 870 CA THR A 60 -9.848 -12.798 3.332 1.00 0.00 C ATOM 871 C THR A 60 -8.645 -13.659 3.675 1.00 0.00 C ATOM 872 O THR A 60 -8.544 -14.233 4.756 1.00 0.00 O ATOM 873 CB THR A 60 -10.326 -13.043 1.883 1.00 0.00 C ATOM 874 OG1 THR A 60 -9.401 -12.488 0.960 1.00 0.00 O ATOM 875 CG2 THR A 60 -11.708 -12.459 1.573 1.00 0.00 C ATOM 0 H THR A 60 -8.384 -11.297 3.390 1.00 0.00 H new ATOM 0 HA THR A 60 -10.696 -13.030 3.977 1.00 0.00 H new ATOM 0 HB THR A 60 -10.394 -14.126 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.714 -12.651 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.970 -12.674 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.449 -12.907 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.690 -11.380 1.726 1.00 0.00 H new ATOM 883 N LYS A 61 -7.686 -13.632 2.756 1.00 0.00 N ATOM 884 CA LYS A 61 -6.302 -13.939 3.022 1.00 0.00 C ATOM 885 C LYS A 61 -5.613 -12.649 3.485 1.00 0.00 C ATOM 886 O LYS A 61 -6.012 -11.547 3.100 1.00 0.00 O ATOM 887 CB LYS A 61 -5.647 -14.509 1.748 1.00 0.00 C ATOM 888 CG LYS A 61 -5.894 -13.633 0.505 1.00 0.00 C ATOM 889 CD LYS A 61 -4.859 -13.870 -0.607 1.00 0.00 C ATOM 890 CE LYS A 61 -5.067 -12.840 -1.736 1.00 0.00 C ATOM 891 NZ LYS A 61 -3.919 -12.746 -2.666 1.00 0.00 N ATOM 0 H LYS A 61 -7.864 -13.388 1.782 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.208 -14.693 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.574 -14.607 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.034 -15.511 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.892 -13.836 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.873 -12.583 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.850 -13.783 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.959 -14.881 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.961 -13.106 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.248 -11.860 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.830 -11.769 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.047 -13.019 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.073 -13.384 -3.473 1.00 0.00 H new ATOM 905 N CYS A 62 -4.561 -12.807 4.287 1.00 0.00 N ATOM 906 CA CYS A 62 -3.370 -11.964 4.262 1.00 0.00 C ATOM 907 C CYS A 62 -2.672 -12.144 2.899 1.00 0.00 C ATOM 908 O CYS A 62 -3.336 -12.215 1.866 1.00 0.00 O ATOM 909 CB CYS A 62 -2.450 -12.344 5.408 1.00 0.00 C ATOM 910 SG CYS A 62 -3.262 -12.381 7.026 1.00 0.00 S ATOM 0 H CYS A 62 -4.514 -13.545 4.990 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.639 -10.915 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.022 -13.326 5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.622 -11.636 5.445 1.00 0.00 H new ATOM 915 N GLY A 63 -1.339 -12.242 2.854 1.00 0.00 N ATOM 916 CA GLY A 63 -0.616 -12.744 1.689 1.00 0.00 C ATOM 917 C GLY A 63 -0.423 -11.686 0.604 1.00 0.00 C ATOM 918 O GLY A 63 0.660 -11.575 0.042 1.00 0.00 O ATOM 0 H GLY A 63 -0.733 -11.974 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.359 -13.114 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.158 -13.592 1.270 1.00 0.00 H new ATOM 922 N GLY A 64 -1.477 -10.919 0.309 1.00 0.00 N ATOM 923 CA GLY A 64 -1.510 -9.849 -0.677 1.00 0.00 C ATOM 924 C GLY A 64 -0.176 -9.114 -0.817 1.00 0.00 C ATOM 925 O GLY A 64 0.448 -9.121 -1.873 1.00 0.00 O ATOM 0 H GLY A 64 -2.374 -11.039 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.791 -10.265 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.284 -9.133 -0.400 1.00 0.00 H new ATOM 929 N CYS A 65 0.240 -8.468 0.270 1.00 0.00 N ATOM 930 CA CYS A 65 1.330 -7.500 0.281 1.00 0.00 C ATOM 931 C CYS A 65 2.607 -8.125 0.840 1.00 0.00 C ATOM 932 O CYS A 65 3.710 -7.813 0.383 1.00 0.00 O ATOM 933 CB CYS A 65 0.884 -6.316 1.096 1.00 0.00 C ATOM 934 SG CYS A 65 -0.800 -5.854 0.568 1.00 0.00 S ATOM 0 H CYS A 65 -0.182 -8.608 1.188 1.00 0.00 H new ATOM 0 HA CYS A 65 1.565 -7.177 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.894 -6.561 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.568 -5.479 0.955 1.00 0.00 H new ATOM 939 N HIS A 66 2.432 -8.996 1.841 1.00 0.00 N ATOM 940 CA HIS A 66 3.488 -9.739 2.502 1.00 0.00 C ATOM 941 C HIS A 66 3.694 -11.062 1.770 1.00 0.00 C ATOM 942 O HIS A 66 2.848 -11.948 1.871 1.00 0.00 O ATOM 943 CB HIS A 66 3.096 -10.026 3.959 1.00 0.00 C ATOM 944 CG HIS A 66 2.806 -8.812 4.798 1.00 0.00 C ATOM 945 ND1 HIS A 66 3.714 -7.849 5.162 1.00 0.00 N ATOM 946 CD2 HIS A 66 1.627 -8.530 5.434 1.00 0.00 C ATOM 947 CE1 HIS A 66 3.085 -7.015 6.012 1.00 0.00 C ATOM 948 NE2 HIS A 66 1.801 -7.376 6.187 1.00 0.00 N ATOM 0 H HIS A 66 1.509 -9.204 2.221 1.00 0.00 H new ATOM 0 HA HIS A 66 4.407 -9.152 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.215 -10.668 3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.901 -10.589 4.430 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.682 -7.778 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.717 -9.107 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.551 -6.167 6.491 1.00 0.00 H new ATOM 956 N ILE A 67 4.821 -11.221 1.082 1.00 0.00 N ATOM 957 CA ILE A 67 5.125 -12.395 0.280 1.00 0.00 C ATOM 958 C ILE A 67 5.579 -13.539 1.198 1.00 0.00 C ATOM 959 O ILE A 67 6.739 -13.946 1.179 1.00 0.00 O ATOM 960 CB ILE A 67 6.150 -12.016 -0.810 1.00 0.00 C ATOM 961 CG1 ILE A 67 5.726 -10.757 -1.598 1.00 0.00 C ATOM 962 CG2 ILE A 67 6.402 -13.178 -1.786 1.00 0.00 C ATOM 963 CD1 ILE A 67 4.356 -10.868 -2.280 1.00 0.00 C ATOM 0 H ILE A 67 5.562 -10.520 1.068 1.00 0.00 H new ATOM 0 HA ILE A 67 4.240 -12.758 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 67 7.079 -11.793 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.712 -9.905 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.480 -10.547 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.129 -12.871 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.788 -14.037 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.467 -13.451 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.137 -9.941 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.368 -11.697 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.588 -11.045 -1.527 1.00 0.00 H new ATOM 975 N LYS A 68 4.645 -14.048 2.005 1.00 0.00 N ATOM 976 CA LYS A 68 4.761 -15.235 2.839 1.00 0.00 C ATOM 977 C LYS A 68 3.367 -15.463 3.417 1.00 0.00 C ATOM 978 O LYS A 68 2.978 -14.655 4.293 1.00 0.00 O ATOM 979 CB LYS A 68 5.814 -15.028 3.943 1.00 0.00 C ATOM 980 CG LYS A 68 6.132 -16.252 4.829 1.00 0.00 C ATOM 981 CD LYS A 68 5.029 -16.852 5.728 1.00 0.00 C ATOM 982 CE LYS A 68 4.646 -16.018 6.960 1.00 0.00 C ATOM 983 NZ LYS A 68 4.218 -14.653 6.613 1.00 0.00 N ATOM 984 OXT LYS A 68 2.726 -16.453 3.012 1.00 0.00 O ATOM 0 H LYS A 68 3.729 -13.609 2.095 1.00 0.00 H new ATOM 0 HA LYS A 68 5.096 -16.103 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.740 -14.697 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.476 -14.218 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.485 -17.047 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.966 -15.979 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.135 -17.004 5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.356 -17.836 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.842 -16.520 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.498 -15.966 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.528 -14.317 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.044 -14.021 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.780 -14.656 5.670 1.00 0.00 H new TER 998 LYS A 68 HETATM 999 FE HEC A 69 4.962 6.865 -4.213 1.00 0.00 FE HETATM 1000 CHA HEC A 69 7.419 7.020 -1.776 1.00 0.00 C HETATM 1001 CHB HEC A 69 6.488 9.391 -5.903 1.00 0.00 C HETATM 1002 CHC HEC A 69 2.537 6.653 -6.616 1.00 0.00 C HETATM 1003 CHD HEC A 69 3.148 4.831 -2.157 1.00 0.00 C HETATM 1004 NA HEC A 69 6.666 7.918 -3.950 1.00 0.00 N HETATM 1005 C1A HEC A 69 7.523 7.823 -2.889 1.00 0.00 C HETATM 1006 C2A HEC A 69 8.605 8.754 -3.102 1.00 0.00 C HETATM 1007 C3A HEC A 69 8.328 9.442 -4.254 1.00 0.00 C HETATM 1008 C4A HEC A 69 7.087 8.913 -4.770 1.00 0.00 C HETATM 1009 CMA HEC A 69 9.181 10.526 -4.874 1.00 0.00 C HETATM 1010 CAA HEC A 69 9.813 8.918 -2.217 1.00 0.00 C HETATM 1011 CBA HEC A 69 10.757 7.707 -2.274 1.00 0.00 C HETATM 1012 CGA HEC A 69 11.564 7.544 -0.985 1.00 0.00 C HETATM 1013 O1A HEC A 69 11.624 6.403 -0.471 1.00 0.00 O HETATM 1014 O2A HEC A 69 12.039 8.568 -0.453 1.00 0.00 O HETATM 1015 NB HEC A 69 4.657 7.750 -5.987 1.00 0.00 N HETATM 1016 C1B HEC A 69 5.363 8.817 -6.447 1.00 0.00 C HETATM 1017 C2B HEC A 69 4.750 9.275 -7.673 1.00 0.00 C HETATM 1018 C3B HEC A 69 3.630 8.505 -7.882 1.00 0.00 C HETATM 1019 C4B HEC A 69 3.591 7.523 -6.816 1.00 0.00 C HETATM 1020 CMB HEC A 69 5.197 10.433 -8.543 1.00 0.00 C HETATM 1021 CAB HEC A 69 2.457 8.891 -8.765 1.00 0.00 C HETATM 1022 CBB HEC A 69 2.792 9.259 -10.217 1.00 0.00 C HETATM 1023 NC HEC A 69 3.200 5.896 -4.378 1.00 0.00 N HETATM 1024 C1C HEC A 69 2.364 5.960 -5.442 1.00 0.00 C HETATM 1025 C2C HEC A 69 1.169 5.208 -5.144 1.00 0.00 C HETATM 1026 C3C HEC A 69 1.296 4.749 -3.850 1.00 0.00 C HETATM 1027 C4C HEC A 69 2.611 5.152 -3.390 1.00 0.00 C HETATM 1028 CMC HEC A 69 -0.036 5.099 -6.060 1.00 0.00 C HETATM 1029 CAC HEC A 69 0.208 4.087 -3.015 1.00 0.00 C HETATM 1030 CBC HEC A 69 -0.190 2.686 -3.481 1.00 0.00 C HETATM 1031 ND HEC A 69 5.279 6.023 -2.404 1.00 0.00 N HETATM 1032 C1D HEC A 69 4.404 5.203 -1.794 1.00 0.00 C HETATM 1033 C2D HEC A 69 5.006 4.688 -0.598 1.00 0.00 C HETATM 1034 C3D HEC A 69 6.206 5.343 -0.437 1.00 0.00 C HETATM 1035 C4D HEC A 69 6.359 6.179 -1.601 1.00 0.00 C HETATM 1036 CMD HEC A 69 4.359 3.607 0.232 1.00 0.00 C HETATM 1037 CAD HEC A 69 7.157 5.334 0.746 1.00 0.00 C HETATM 1038 CBD HEC A 69 6.687 4.564 1.976 1.00 0.00 C HETATM 1039 CGD HEC A 69 7.342 5.047 3.252 1.00 0.00 C HETATM 1040 O1D HEC A 69 6.543 5.454 4.117 1.00 0.00 O HETATM 1041 O2D HEC A 69 8.587 5.054 3.323 1.00 0.00 O HETATM 0 HMD3 HEC A 69 3.386 3.951 0.583 1.00 0.00 H new HETATM 0 HMD2 HEC A 69 4.229 2.711 -0.375 1.00 0.00 H new HETATM 0 HMD1 HEC A 69 4.993 3.377 1.088 1.00 0.00 H new HETATM 0 HMC3 HEC A 69 -0.447 6.092 -6.240 1.00 0.00 H new HETATM 0 HMC2 HEC A 69 0.267 4.654 -7.008 1.00 0.00 H new HETATM 0 HMC1 HEC A 69 -0.794 4.472 -5.591 1.00 0.00 H new HETATM 0 HMB3 HEC A 69 5.172 11.355 -7.962 1.00 0.00 H new HETATM 0 HMB2 HEC A 69 6.213 10.253 -8.895 1.00 0.00 H new HETATM 0 HMB1 HEC A 69 4.528 10.525 -9.399 1.00 0.00 H new HETATM 0 HMA3 HEC A 69 9.289 11.351 -4.170 1.00 0.00 H new HETATM 0 HMA2 HEC A 69 10.165 10.122 -5.114 1.00 0.00 H new HETATM 0 HMA1 HEC A 69 8.705 10.887 -5.785 1.00 0.00 H new HETATM 0 HBD2 HEC A 69 5.605 4.660 2.069 1.00 0.00 H new HETATM 0 HBD1 HEC A 69 6.902 3.504 1.840 1.00 0.00 H new HETATM 0 HBC3 HEC A 69 -0.564 2.735 -4.504 1.00 0.00 H new HETATM 0 HBC2 HEC A 69 0.679 2.029 -3.444 1.00 0.00 H new HETATM 0 HBC1 HEC A 69 -0.970 2.293 -2.828 1.00 0.00 H new HETATM 0 HBB3 HEC A 69 3.470 10.113 -10.229 1.00 0.00 H new HETATM 0 HBB2 HEC A 69 3.269 8.410 -10.707 1.00 0.00 H new HETATM 0 HBB1 HEC A 69 1.875 9.516 -10.748 1.00 0.00 H new HETATM 0 HBA2 HEC A 69 10.175 6.803 -2.454 1.00 0.00 H new HETATM 0 HBA1 HEC A 69 11.439 7.819 -3.116 1.00 0.00 H new HETATM 0 HAD2 HEC A 69 8.108 4.912 0.419 1.00 0.00 H new HETATM 0 HAD1 HEC A 69 7.350 6.366 1.040 1.00 0.00 H new HETATM 0 HAA2 HEC A 69 10.358 9.813 -2.515 1.00 0.00 H new HETATM 0 HAA1 HEC A 69 9.487 9.071 -1.188 1.00 0.00 H new HETATM 0 HHD HEC A 69 2.544 4.260 -1.452 1.00 0.00 H new HETATM 0 HHC HEC A 69 1.815 6.511 -7.420 1.00 0.00 H new HETATM 0 HHB HEC A 69 6.920 10.263 -6.395 1.00 0.00 H new HETATM 0 HHA HEC A 69 8.201 7.057 -1.017 1.00 0.00 H new HETATM 0 H2D HEC A 69 8.937 4.190 3.021 1.00 0.00 H new HETATM 0 H2A HEC A 69 12.939 8.374 -0.116 1.00 0.00 H new HETATM 1074 FE HEC A 70 -2.921 -1.928 -3.639 1.00 0.00 FE HETATM 1075 CHA HEC A 70 -3.669 -4.627 -5.614 1.00 0.00 C HETATM 1076 CHB HEC A 70 -0.110 -3.537 -2.410 1.00 0.00 C HETATM 1077 CHC HEC A 70 -2.342 0.641 -1.411 1.00 0.00 C HETATM 1078 CHD HEC A 70 -5.679 -0.275 -4.808 1.00 0.00 C HETATM 1079 NA HEC A 70 -2.083 -3.731 -3.929 1.00 0.00 N HETATM 1080 C1A HEC A 70 -2.583 -4.708 -4.760 1.00 0.00 C HETATM 1081 C2A HEC A 70 -1.760 -5.889 -4.608 1.00 0.00 C HETATM 1082 C3A HEC A 70 -0.695 -5.529 -3.815 1.00 0.00 C HETATM 1083 C4A HEC A 70 -0.938 -4.193 -3.320 1.00 0.00 C HETATM 1084 CMA HEC A 70 0.546 -6.356 -3.602 1.00 0.00 C HETATM 1085 CAA HEC A 70 -2.025 -7.292 -5.140 1.00 0.00 C HETATM 1086 CBA HEC A 70 -2.740 -8.197 -4.116 1.00 0.00 C HETATM 1087 CGA HEC A 70 -2.831 -9.681 -4.516 1.00 0.00 C HETATM 1088 O1A HEC A 70 -2.337 -10.036 -5.606 1.00 0.00 O HETATM 1089 O2A HEC A 70 -3.390 -10.468 -3.709 1.00 0.00 O HETATM 1090 NB HEC A 70 -1.469 -1.486 -2.247 1.00 0.00 N HETATM 1091 C1B HEC A 70 -0.417 -2.291 -1.922 1.00 0.00 C HETATM 1092 C2B HEC A 70 0.353 -1.639 -0.884 1.00 0.00 C HETATM 1093 C3B HEC A 70 -0.301 -0.472 -0.561 1.00 0.00 C HETATM 1094 C4B HEC A 70 -1.427 -0.373 -1.464 1.00 0.00 C HETATM 1095 CMB HEC A 70 1.601 -2.190 -0.230 1.00 0.00 C HETATM 1096 CAB HEC A 70 0.055 0.511 0.550 1.00 0.00 C HETATM 1097 CBB HEC A 70 1.386 1.231 0.314 1.00 0.00 C HETATM 1098 NC HEC A 70 -3.804 -0.166 -3.216 1.00 0.00 N HETATM 1099 C1C HEC A 70 -3.410 0.713 -2.260 1.00 0.00 C HETATM 1100 C2C HEC A 70 -4.307 1.837 -2.268 1.00 0.00 C HETATM 1101 C3C HEC A 70 -5.306 1.544 -3.162 1.00 0.00 C HETATM 1102 C4C HEC A 70 -4.936 0.304 -3.810 1.00 0.00 C HETATM 1103 CMC HEC A 70 -4.175 3.081 -1.415 1.00 0.00 C HETATM 1104 CAC HEC A 70 -6.654 2.240 -3.247 1.00 0.00 C HETATM 1105 CBC HEC A 70 -6.623 3.533 -4.055 1.00 0.00 C HETATM 1106 ND HEC A 70 -4.356 -2.342 -5.001 1.00 0.00 N HETATM 1107 C1D HEC A 70 -5.362 -1.497 -5.352 1.00 0.00 C HETATM 1108 C2D HEC A 70 -6.114 -2.116 -6.418 1.00 0.00 C HETATM 1109 C3D HEC A 70 -5.540 -3.341 -6.654 1.00 0.00 C HETATM 1110 C4D HEC A 70 -4.440 -3.490 -5.728 1.00 0.00 C HETATM 1111 CMD HEC A 70 -7.304 -1.542 -7.159 1.00 0.00 C HETATM 1112 CAD HEC A 70 -5.980 -4.331 -7.708 1.00 0.00 C HETATM 1113 CBD HEC A 70 -6.917 -5.420 -7.176 1.00 0.00 C HETATM 1114 CGD HEC A 70 -7.442 -6.332 -8.293 1.00 0.00 C HETATM 1115 O1D HEC A 70 -7.650 -7.531 -8.005 1.00 0.00 O HETATM 1116 O2D HEC A 70 -7.630 -5.812 -9.417 1.00 0.00 O HETATM 0 HMD3 HEC A 70 -8.110 -1.342 -6.453 1.00 0.00 H new HETATM 0 HMD2 HEC A 70 -7.013 -0.613 -7.650 1.00 0.00 H new HETATM 0 HMD1 HEC A 70 -7.646 -2.257 -7.908 1.00 0.00 H new HETATM 0 HMC3 HEC A 70 -4.204 2.804 -0.361 1.00 0.00 H new HETATM 0 HMC2 HEC A 70 -3.228 3.574 -1.635 1.00 0.00 H new HETATM 0 HMC1 HEC A 70 -4.998 3.761 -1.634 1.00 0.00 H new HETATM 0 HMB3 HEC A 70 1.370 -3.139 0.253 1.00 0.00 H new HETATM 0 HMB2 HEC A 70 2.370 -2.346 -0.987 1.00 0.00 H new HETATM 0 HMB1 HEC A 70 1.964 -1.482 0.515 1.00 0.00 H new HETATM 0 HMA3 HEC A 70 0.273 -7.316 -3.165 1.00 0.00 H new HETATM 0 HMA2 HEC A 70 1.042 -6.521 -4.559 1.00 0.00 H new HETATM 0 HMA1 HEC A 70 1.223 -5.830 -2.929 1.00 0.00 H new HETATM 0 HBD2 HEC A 70 -6.388 -6.022 -6.437 1.00 0.00 H new HETATM 0 HBD1 HEC A 70 -7.759 -4.954 -6.664 1.00 0.00 H new HETATM 0 HBC3 HEC A 70 -5.924 4.232 -3.596 1.00 0.00 H new HETATM 0 HBC2 HEC A 70 -6.303 3.317 -5.075 1.00 0.00 H new HETATM 0 HBC1 HEC A 70 -7.619 3.975 -4.073 1.00 0.00 H new HETATM 0 HBB3 HEC A 70 2.190 0.498 0.253 1.00 0.00 H new HETATM 0 HBB2 HEC A 70 1.335 1.793 -0.619 1.00 0.00 H new HETATM 0 HBB1 HEC A 70 1.581 1.915 1.140 1.00 0.00 H new HETATM 0 HBA2 HEC A 70 -2.218 -8.124 -3.162 1.00 0.00 H new HETATM 0 HBA1 HEC A 70 -3.749 -7.816 -3.958 1.00 0.00 H new HETATM 0 HAD2 HEC A 70 -6.482 -3.793 -8.512 1.00 0.00 H new HETATM 0 HAD1 HEC A 70 -5.098 -4.803 -8.142 1.00 0.00 H new HETATM 0 HAA2 HEC A 70 -2.631 -7.224 -6.043 1.00 0.00 H new HETATM 0 HAA1 HEC A 70 -1.079 -7.752 -5.425 1.00 0.00 H new HETATM 0 HHD HEC A 70 -6.554 0.255 -5.184 1.00 0.00 H new HETATM 0 HHC HEC A 70 -2.215 1.423 -0.662 1.00 0.00 H new HETATM 0 HHB HEC A 70 0.805 -4.026 -2.077 1.00 0.00 H new HETATM 0 HHA HEC A 70 -3.925 -5.496 -6.220 1.00 0.00 H new HETATM 0 H2D HEC A 70 -7.731 -6.517 -10.091 1.00 0.00 H new HETATM 0 H2A HEC A 70 -4.311 -10.173 -3.549 1.00 0.00 H new HETATM 1149 FE HEC A 71 0.386 -6.450 7.192 1.00 0.00 FE HETATM 1150 CHA HEC A 71 2.672 -4.433 8.697 1.00 0.00 C HETATM 1151 CHB HEC A 71 0.499 -8.656 9.789 1.00 0.00 C HETATM 1152 CHC HEC A 71 -2.029 -8.396 5.647 1.00 0.00 C HETATM 1153 CHD HEC A 71 0.503 -4.466 4.355 1.00 0.00 C HETATM 1154 NA HEC A 71 1.381 -6.530 8.901 1.00 0.00 N HETATM 1155 C1A HEC A 71 2.272 -5.578 9.332 1.00 0.00 C HETATM 1156 C2A HEC A 71 2.843 -6.041 10.578 1.00 0.00 C HETATM 1157 C3A HEC A 71 2.112 -7.144 10.951 1.00 0.00 C HETATM 1158 C4A HEC A 71 1.282 -7.514 9.826 1.00 0.00 C HETATM 1159 CMA HEC A 71 2.138 -7.789 12.321 1.00 0.00 C HETATM 1160 CAA HEC A 71 4.233 -5.706 11.105 1.00 0.00 C HETATM 1161 CBA HEC A 71 5.236 -6.662 10.448 1.00 0.00 C HETATM 1162 CGA HEC A 71 6.555 -6.938 11.173 1.00 0.00 C HETATM 1163 O1A HEC A 71 7.639 -6.776 10.566 1.00 0.00 O HETATM 1164 O2A HEC A 71 6.434 -7.551 12.262 1.00 0.00 O HETATM 1165 NB HEC A 71 -0.552 -8.210 7.606 1.00 0.00 N HETATM 1166 C1B HEC A 71 -0.348 -8.933 8.735 1.00 0.00 C HETATM 1167 C2B HEC A 71 -1.249 -10.063 8.715 1.00 0.00 C HETATM 1168 C3B HEC A 71 -2.064 -9.922 7.612 1.00 0.00 C HETATM 1169 C4B HEC A 71 -1.541 -8.796 6.866 1.00 0.00 C HETATM 1170 CMB HEC A 71 -1.314 -11.151 9.762 1.00 0.00 C HETATM 1171 CAB HEC A 71 -3.408 -10.609 7.368 1.00 0.00 C HETATM 1172 CBB HEC A 71 -4.397 -10.411 8.519 1.00 0.00 C HETATM 1173 NC HEC A 71 -0.625 -6.397 5.409 1.00 0.00 N HETATM 1174 C1C HEC A 71 -1.553 -7.290 4.997 1.00 0.00 C HETATM 1175 C2C HEC A 71 -1.967 -6.957 3.658 1.00 0.00 C HETATM 1176 C3C HEC A 71 -1.292 -5.815 3.301 1.00 0.00 C HETATM 1177 C4C HEC A 71 -0.396 -5.504 4.396 1.00 0.00 C HETATM 1178 CMC HEC A 71 -2.882 -7.799 2.795 1.00 0.00 C HETATM 1179 CAC HEC A 71 -1.464 -5.010 2.024 1.00 0.00 C HETATM 1180 CBC HEC A 71 -2.907 -4.605 1.737 1.00 0.00 C HETATM 1181 ND HEC A 71 1.341 -4.742 6.660 1.00 0.00 N HETATM 1182 C1D HEC A 71 1.277 -4.140 5.440 1.00 0.00 C HETATM 1183 C2D HEC A 71 2.202 -3.037 5.435 1.00 0.00 C HETATM 1184 C3D HEC A 71 2.777 -2.975 6.680 1.00 0.00 C HETATM 1185 C4D HEC A 71 2.252 -4.091 7.437 1.00 0.00 C HETATM 1186 CMD HEC A 71 2.494 -2.128 4.270 1.00 0.00 C HETATM 1187 CAD HEC A 71 3.817 -1.969 7.133 1.00 0.00 C HETATM 1188 CBD HEC A 71 5.269 -2.407 6.935 1.00 0.00 C HETATM 1189 CGD HEC A 71 5.531 -3.760 7.601 1.00 0.00 C HETATM 1190 O1D HEC A 71 5.399 -4.792 6.898 1.00 0.00 O HETATM 1191 O2D HEC A 71 5.800 -3.747 8.821 1.00 0.00 O HETATM 0 HMD3 HEC A 71 2.879 -2.716 3.437 1.00 0.00 H new HETATM 0 HMD2 HEC A 71 1.578 -1.623 3.964 1.00 0.00 H new HETATM 0 HMD1 HEC A 71 3.237 -1.386 4.564 1.00 0.00 H new HETATM 0 HMC3 HEC A 71 -2.434 -8.780 2.639 1.00 0.00 H new HETATM 0 HMC2 HEC A 71 -3.846 -7.915 3.291 1.00 0.00 H new HETATM 0 HMC1 HEC A 71 -3.026 -7.309 1.832 1.00 0.00 H new HETATM 0 HMB3 HEC A 71 -0.350 -11.656 9.823 1.00 0.00 H new HETATM 0 HMB2 HEC A 71 -1.555 -10.711 10.730 1.00 0.00 H new HETATM 0 HMB1 HEC A 71 -2.084 -11.872 9.490 1.00 0.00 H new HETATM 0 HMA3 HEC A 71 3.151 -8.123 12.547 1.00 0.00 H new HETATM 0 HMA2 HEC A 71 1.820 -7.064 13.070 1.00 0.00 H new HETATM 0 HMA1 HEC A 71 1.462 -8.644 12.333 1.00 0.00 H new HETATM 0 HBD2 HEC A 71 5.490 -2.473 5.870 1.00 0.00 H new HETATM 0 HBD1 HEC A 71 5.939 -1.656 7.354 1.00 0.00 H new HETATM 0 HBC3 HEC A 71 -3.523 -5.499 1.640 1.00 0.00 H new HETATM 0 HBC2 HEC A 71 -3.283 -3.993 2.557 1.00 0.00 H new HETATM 0 HBC1 HEC A 71 -2.947 -4.034 0.809 1.00 0.00 H new HETATM 0 HBB3 HEC A 71 -3.976 -10.824 9.436 1.00 0.00 H new HETATM 0 HBB2 HEC A 71 -4.589 -9.347 8.655 1.00 0.00 H new HETATM 0 HBB1 HEC A 71 -5.332 -10.922 8.287 1.00 0.00 H new HETATM 0 HBA2 HEC A 71 4.734 -7.617 10.295 1.00 0.00 H new HETATM 0 HBA1 HEC A 71 5.475 -6.266 9.461 1.00 0.00 H new HETATM 0 HAD2 HEC A 71 3.658 -1.036 6.592 1.00 0.00 H new HETATM 0 HAD1 HEC A 71 3.658 -1.756 8.190 1.00 0.00 H new HETATM 0 HAA2 HEC A 71 4.488 -4.671 10.876 1.00 0.00 H new HETATM 0 HAA1 HEC A 71 4.264 -5.809 12.190 1.00 0.00 H new HETATM 0 HHD HEC A 71 0.604 -3.887 3.437 1.00 0.00 H new HETATM 0 HHC HEC A 71 -2.823 -8.979 5.181 1.00 0.00 H new HETATM 0 HHB HEC A 71 0.554 -9.359 10.620 1.00 0.00 H new HETATM 0 HHA HEC A 71 3.356 -3.762 9.217 1.00 0.00 H new HETATM 0 H2D HEC A 71 6.769 -3.669 8.941 1.00 0.00 H new HETATM 0 H2A HEC A 71 7.311 -7.877 12.553 1.00 0.00 H new