USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 36 LYS NZ :NH3+ -119:sc= 0.064 (180deg=-0.573) USER MOD Set 1.2: A 130 HEC O2A : rot -130:sc= -0.246! USER MOD Set 2.1: A 55 SER OG : rot -63:sc= 1.18 USER MOD Set 2.2: A 57 ASN : amide:sc= -1.51 K(o=-0.33,f=-3.6!) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -165:sc= 0.986 (180deg=0) USER MOD Set 3.2: A 153 HEC O2D : rot -129:sc= 0.115 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0.662 USER MOD Set 4.2: A 14 THR OG1 : rot -29:sc= 0.704 USER MOD Single : A 1 ALA N :NH3+ 130:sc= 1.22 (180deg=0.985) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.36 K(o=1.4,f=-4.8!) USER MOD Single : A 12 ASN : amide:sc= -0.0706 K(o=-0.071,f=-3.7!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 0.447 (180deg=-0.332!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= -0.626! (180deg=-0.684) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.132) USER MOD Single : A 43 SER OG : rot 175:sc= 0.471 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0149) USER MOD Single : A 50 LYS NZ :NH3+ -100:sc= 1.11 (180deg=-1.02) USER MOD Single : A 51 THR OG1 : rot 175:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.1) USER MOD Single : A 60 THR OG1 : rot -49:sc= 0.897 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 O2D : rot 168:sc= -0.281 USER MOD Single : A 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 166 HEC O2A : rot 167:sc= 0.959 USER MOD Single : A 166 HEC O2D : rot 160:sc= -0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.406 -6.872 -1.525 1.00 10.00 N ATOM 2 CA ALA A 1 -11.154 -7.359 -2.138 1.00 10.00 C ATOM 3 C ALA A 1 -10.359 -8.229 -1.152 1.00 10.00 C ATOM 4 O ALA A 1 -10.649 -8.193 0.041 1.00 10.00 O ATOM 5 CB ALA A 1 -10.323 -6.167 -2.629 1.00 10.00 C ATOM 0 H1 ALA A 1 -12.485 -5.845 -1.666 1.00 10.00 H new ATOM 0 H2 ALA A 1 -13.218 -7.346 -1.970 1.00 10.00 H new ATOM 0 H3 ALA A 1 -12.399 -7.082 -0.507 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.400 -7.987 -2.994 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -9.399 -6.529 -3.081 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -10.894 -5.606 -3.369 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -10.085 -5.518 -1.786 1.00 10.00 H new ATOM 13 N ASP A 2 -9.379 -8.978 -1.665 1.00 10.00 N ATOM 14 CA ASP A 2 -8.353 -9.747 -0.959 1.00 10.00 C ATOM 15 C ASP A 2 -7.098 -9.696 -1.871 1.00 10.00 C ATOM 16 O ASP A 2 -7.227 -9.235 -3.004 1.00 10.00 O ATOM 17 CB ASP A 2 -8.888 -11.164 -0.695 1.00 10.00 C ATOM 18 CG ASP A 2 -8.094 -11.889 0.381 1.00 10.00 C ATOM 19 OD1 ASP A 2 -6.933 -11.480 0.593 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.661 -12.819 0.991 1.00 10.00 O ATOM 0 H ASP A 2 -9.275 -9.069 -2.676 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.091 -9.350 0.022 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.934 -11.105 -0.394 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -8.854 -11.741 -1.619 1.00 10.00 H new ATOM 25 N VAL A 3 -5.913 -10.089 -1.383 1.00 10.00 N ATOM 26 CA VAL A 3 -4.574 -9.933 -1.986 1.00 10.00 C ATOM 27 C VAL A 3 -4.548 -9.415 -3.442 1.00 10.00 C ATOM 28 O VAL A 3 -4.638 -10.192 -4.390 1.00 10.00 O ATOM 29 CB VAL A 3 -3.739 -11.220 -1.815 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.294 -10.998 -2.288 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.667 -11.672 -0.348 1.00 10.00 C ATOM 0 H VAL A 3 -5.858 -10.564 -0.482 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.108 -9.126 -1.421 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.237 -11.983 -2.413 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.723 -11.918 -2.158 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.295 -10.717 -3.341 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.837 -10.202 -1.700 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.070 -12.581 -0.276 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.207 -10.887 0.252 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.673 -11.869 0.022 1.00 10.00 H new ATOM 41 N VAL A 4 -4.402 -8.095 -3.621 1.00 10.00 N ATOM 42 CA VAL A 4 -4.492 -7.416 -4.915 1.00 10.00 C ATOM 43 C VAL A 4 -3.094 -7.103 -5.485 1.00 10.00 C ATOM 44 O VAL A 4 -2.409 -6.193 -5.021 1.00 10.00 O ATOM 45 CB VAL A 4 -5.346 -6.139 -4.772 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.628 -5.523 -6.148 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.691 -6.398 -4.083 1.00 10.00 C ATOM 0 H VAL A 4 -4.213 -7.456 -2.848 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.979 -8.082 -5.628 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.764 -5.457 -4.152 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.231 -4.623 -6.027 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.686 -5.266 -6.631 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.168 -6.242 -6.765 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.248 -5.464 -4.010 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.265 -7.119 -4.665 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.517 -6.796 -3.083 1.00 10.00 H new ATOM 57 N THR A 5 -2.664 -7.836 -6.516 1.00 10.00 N ATOM 58 CA THR A 5 -1.360 -7.649 -7.170 1.00 10.00 C ATOM 59 C THR A 5 -1.440 -6.696 -8.375 1.00 10.00 C ATOM 60 O THR A 5 -2.224 -6.909 -9.295 1.00 10.00 O ATOM 61 CB THR A 5 -0.759 -9.026 -7.513 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.048 -9.507 -6.389 1.00 10.00 O ATOM 63 CG2 THR A 5 0.211 -9.020 -8.692 1.00 10.00 C ATOM 0 H THR A 5 -3.218 -8.587 -6.928 1.00 10.00 H new ATOM 0 HA THR A 5 -0.682 -7.153 -6.476 1.00 10.00 H new ATOM 0 HB THR A 5 -1.604 -9.656 -7.790 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.337 -10.384 -6.596 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.584 -10.030 -8.861 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.305 -8.669 -9.586 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.047 -8.357 -8.472 1.00 10.00 H new ATOM 71 N TYR A 6 -0.615 -5.639 -8.362 1.00 10.00 N ATOM 72 CA TYR A 6 -0.541 -4.603 -9.397 1.00 10.00 C ATOM 73 C TYR A 6 0.610 -4.862 -10.381 1.00 10.00 C ATOM 74 O TYR A 6 1.754 -4.467 -10.143 1.00 10.00 O ATOM 75 CB TYR A 6 -0.400 -3.230 -8.725 1.00 10.00 C ATOM 76 CG TYR A 6 -1.723 -2.541 -8.453 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.680 -3.160 -7.628 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.998 -1.278 -9.012 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.870 -2.485 -7.303 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.186 -0.605 -8.682 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.116 -1.205 -7.820 1.00 10.00 C ATOM 82 OH TYR A 6 -5.220 -0.515 -7.425 1.00 10.00 O ATOM 0 H TYR A 6 0.044 -5.478 -7.600 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.460 -4.625 -9.982 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.136 -3.350 -7.784 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.210 -2.587 -9.359 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.501 -4.154 -7.244 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.294 -0.826 -9.695 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.596 -2.953 -6.654 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.383 0.374 -9.092 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.241 0.355 -7.876 1.00 10.00 H new ATOM 92 N GLU A 7 0.297 -5.521 -11.494 1.00 10.00 N ATOM 93 CA GLU A 7 1.254 -5.989 -12.489 1.00 10.00 C ATOM 94 C GLU A 7 1.751 -4.850 -13.398 1.00 10.00 C ATOM 95 O GLU A 7 1.379 -4.760 -14.565 1.00 10.00 O ATOM 96 CB GLU A 7 0.605 -7.151 -13.251 1.00 10.00 C ATOM 97 CG GLU A 7 0.105 -8.225 -12.277 1.00 10.00 C ATOM 98 CD GLU A 7 -0.421 -9.465 -12.984 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.613 -9.436 -13.358 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.377 -10.414 -13.124 1.00 10.00 O ATOM 0 H GLU A 7 -0.667 -5.752 -11.735 1.00 10.00 H new ATOM 0 HA GLU A 7 2.160 -6.352 -12.004 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.227 -6.780 -13.850 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.326 -7.587 -13.942 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.918 -8.511 -11.610 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.685 -7.805 -11.655 1.00 10.00 H new ATOM 107 N ASN A 8 2.595 -3.974 -12.842 1.00 10.00 N ATOM 108 CA ASN A 8 3.106 -2.774 -13.501 1.00 10.00 C ATOM 109 C ASN A 8 4.519 -2.975 -14.064 1.00 10.00 C ATOM 110 O ASN A 8 5.225 -3.921 -13.710 1.00 10.00 O ATOM 111 CB ASN A 8 3.084 -1.613 -12.505 1.00 10.00 C ATOM 112 CG ASN A 8 4.114 -1.810 -11.400 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.254 -1.368 -11.509 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.767 -2.527 -10.342 1.00 10.00 N ATOM 0 H ASN A 8 2.950 -4.087 -11.892 1.00 10.00 H new ATOM 0 HA ASN A 8 2.462 -2.550 -14.351 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.284 -0.678 -13.029 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.090 -1.526 -12.067 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.450 -2.716 -9.608 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.817 -2.890 -10.261 1.00 10.00 H new ATOM 121 N ALA A 9 4.962 -2.045 -14.909 1.00 10.00 N ATOM 122 CA ALA A 9 6.224 -2.171 -15.632 1.00 10.00 C ATOM 123 C ALA A 9 7.463 -2.064 -14.734 1.00 10.00 C ATOM 124 O ALA A 9 8.544 -2.498 -15.130 1.00 10.00 O ATOM 125 CB ALA A 9 6.278 -1.119 -16.737 1.00 10.00 C ATOM 0 H ALA A 9 4.455 -1.183 -15.111 1.00 10.00 H new ATOM 0 HA ALA A 9 6.249 -3.175 -16.056 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.219 -1.209 -17.280 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.446 -1.271 -17.425 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.207 -0.125 -16.296 1.00 10.00 H new ATOM 131 N ALA A 10 7.337 -1.491 -13.531 1.00 10.00 N ATOM 132 CA ALA A 10 8.474 -1.266 -12.639 1.00 10.00 C ATOM 133 C ALA A 10 8.691 -2.415 -11.639 1.00 10.00 C ATOM 134 O ALA A 10 9.504 -2.277 -10.724 1.00 10.00 O ATOM 135 CB ALA A 10 8.287 0.081 -11.936 1.00 10.00 C ATOM 0 H ALA A 10 6.445 -1.172 -13.152 1.00 10.00 H new ATOM 0 HA ALA A 10 9.384 -1.241 -13.238 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.128 0.262 -11.267 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.237 0.876 -12.680 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.362 0.065 -11.360 1.00 10.00 H new ATOM 141 N GLY A 11 7.976 -3.537 -11.804 1.00 10.00 N ATOM 142 CA GLY A 11 7.961 -4.648 -10.849 1.00 10.00 C ATOM 143 C GLY A 11 6.624 -4.673 -10.110 1.00 10.00 C ATOM 144 O GLY A 11 6.176 -3.637 -9.620 1.00 10.00 O ATOM 0 H GLY A 11 7.383 -3.698 -12.618 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.116 -5.592 -11.372 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.779 -4.539 -10.137 1.00 10.00 H new ATOM 148 N ASN A 12 5.958 -5.825 -10.014 1.00 10.00 N ATOM 149 CA ASN A 12 4.686 -5.899 -9.298 1.00 10.00 C ATOM 150 C ASN A 12 4.897 -5.759 -7.789 1.00 10.00 C ATOM 151 O ASN A 12 6.028 -5.830 -7.312 1.00 10.00 O ATOM 152 CB ASN A 12 3.883 -7.143 -9.683 1.00 10.00 C ATOM 153 CG ASN A 12 4.580 -8.444 -9.310 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.802 -8.529 -9.295 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.817 -9.486 -9.022 1.00 10.00 N ATOM 0 H ASN A 12 6.273 -6.707 -10.417 1.00 10.00 H new ATOM 0 HA ASN A 12 4.075 -5.051 -9.607 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.910 -7.106 -9.193 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.700 -7.131 -10.757 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.245 -10.380 -8.782 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.801 -9.395 -9.040 1.00 10.00 H new ATOM 162 N VAL A 13 3.809 -5.479 -7.065 1.00 10.00 N ATOM 163 CA VAL A 13 3.902 -4.841 -5.752 1.00 10.00 C ATOM 164 C VAL A 13 3.115 -5.505 -4.610 1.00 10.00 C ATOM 165 O VAL A 13 3.575 -5.485 -3.474 1.00 10.00 O ATOM 166 CB VAL A 13 3.651 -3.332 -5.904 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.367 -3.030 -6.670 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.563 -2.647 -4.544 1.00 10.00 C ATOM 0 H VAL A 13 2.856 -5.684 -7.367 1.00 10.00 H new ATOM 0 HA VAL A 13 4.922 -4.998 -5.401 1.00 10.00 H new ATOM 0 HB VAL A 13 4.500 -2.946 -6.467 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.236 -1.951 -6.750 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.429 -3.463 -7.669 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.517 -3.460 -6.140 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.385 -1.581 -4.684 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.743 -3.079 -3.971 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.498 -2.791 -4.003 1.00 10.00 H new ATOM 178 N THR A 14 1.940 -6.084 -4.877 1.00 10.00 N ATOM 179 CA THR A 14 1.114 -6.759 -3.867 1.00 10.00 C ATOM 180 C THR A 14 0.570 -5.810 -2.786 1.00 10.00 C ATOM 181 O THR A 14 1.216 -5.498 -1.791 1.00 10.00 O ATOM 182 CB THR A 14 1.819 -8.016 -3.322 1.00 10.00 C ATOM 183 OG1 THR A 14 1.739 -9.013 -4.323 1.00 10.00 O ATOM 184 CG2 THR A 14 1.174 -8.596 -2.061 1.00 10.00 C ATOM 0 H THR A 14 1.530 -6.098 -5.811 1.00 10.00 H new ATOM 0 HA THR A 14 0.212 -7.112 -4.367 1.00 10.00 H new ATOM 0 HB THR A 14 2.837 -7.725 -3.064 1.00 10.00 H new ATOM 0 HG1 THR A 14 0.932 -8.872 -4.861 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.729 -9.478 -1.741 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.191 -7.849 -1.267 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.142 -8.874 -2.275 1.00 10.00 H new ATOM 192 N PHE A 15 -0.673 -5.366 -2.992 1.00 10.00 N ATOM 193 CA PHE A 15 -1.503 -4.710 -1.988 1.00 10.00 C ATOM 194 C PHE A 15 -2.307 -5.795 -1.255 1.00 10.00 C ATOM 195 O PHE A 15 -3.280 -6.311 -1.809 1.00 10.00 O ATOM 196 CB PHE A 15 -2.539 -3.797 -2.661 1.00 10.00 C ATOM 197 CG PHE A 15 -2.140 -2.544 -3.410 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.974 -2.494 -4.198 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.162 -1.602 -3.631 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.858 -1.543 -5.224 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.044 -0.650 -4.653 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.891 -0.622 -5.452 1.00 10.00 C ATOM 0 H PHE A 15 -1.141 -5.458 -3.894 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.859 -4.135 -1.323 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.096 -4.418 -3.362 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.238 -3.489 -1.883 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.168 -3.188 -4.013 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.044 -1.613 -3.008 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.029 -1.520 -5.840 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.839 0.061 -4.825 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.799 0.108 -6.242 1.00 10.00 H new ATOM 212 N ASP A 16 -1.970 -6.134 -0.014 1.00 10.00 N ATOM 213 CA ASP A 16 -2.744 -7.153 0.676 1.00 10.00 C ATOM 214 C ASP A 16 -4.043 -6.559 1.230 1.00 10.00 C ATOM 215 O ASP A 16 -4.016 -5.773 2.174 1.00 10.00 O ATOM 216 CB ASP A 16 -1.914 -7.791 1.777 1.00 10.00 C ATOM 217 CG ASP A 16 -0.523 -8.154 1.321 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.399 -9.179 0.624 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.369 -7.365 1.699 1.00 10.00 O ATOM 0 H ASP A 16 -1.196 -5.734 0.516 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.013 -7.932 -0.037 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.848 -7.104 2.621 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.420 -8.688 2.135 1.00 10.00 H new ATOM 224 N HIS A 17 -5.197 -6.946 0.687 1.00 10.00 N ATOM 225 CA HIS A 17 -6.456 -6.569 1.316 1.00 10.00 C ATOM 226 C HIS A 17 -6.673 -7.347 2.620 1.00 10.00 C ATOM 227 O HIS A 17 -7.110 -6.772 3.615 1.00 10.00 O ATOM 228 CB HIS A 17 -7.617 -6.676 0.322 1.00 10.00 C ATOM 229 CG HIS A 17 -8.112 -5.311 -0.051 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.549 -4.508 -1.010 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.802 -4.502 0.809 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.873 -3.244 -0.709 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.640 -3.176 0.398 1.00 10.00 N ATOM 0 H HIS A 17 -5.284 -7.504 -0.162 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.412 -5.519 1.605 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.291 -7.209 -0.572 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.428 -7.257 0.761 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -6.988 -4.816 -1.804 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.376 -4.832 1.662 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.559 -2.385 -1.282 1.00 10.00 H new ATOM 241 N LYS A 18 -6.312 -8.635 2.632 1.00 10.00 N ATOM 242 CA LYS A 18 -6.291 -9.442 3.844 1.00 10.00 C ATOM 243 C LYS A 18 -5.054 -9.147 4.713 1.00 10.00 C ATOM 244 O LYS A 18 -5.173 -8.532 5.768 1.00 10.00 O ATOM 245 CB LYS A 18 -6.413 -10.921 3.460 1.00 10.00 C ATOM 246 CG LYS A 18 -6.366 -11.906 4.635 1.00 10.00 C ATOM 247 CD LYS A 18 -6.704 -13.304 4.091 1.00 10.00 C ATOM 248 CE LYS A 18 -6.349 -14.429 5.075 1.00 10.00 C ATOM 249 NZ LYS A 18 -7.179 -14.398 6.297 1.00 10.00 N ATOM 0 H LYS A 18 -6.026 -9.143 1.795 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.145 -9.178 4.468 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.351 -11.065 2.923 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.608 -11.168 2.767 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -5.378 -11.904 5.096 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.078 -11.614 5.407 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.768 -13.351 3.861 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.168 -13.464 3.155 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.473 -15.392 4.580 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.298 -14.346 5.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -6.719 -14.958 7.043 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.287 -13.415 6.618 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.116 -14.800 6.091 1.00 10.00 H new ATOM 263 N ALA A 19 -3.860 -9.594 4.306 1.00 10.00 N ATOM 264 CA ALA A 19 -2.701 -9.745 5.196 1.00 10.00 C ATOM 265 C ALA A 19 -2.309 -8.458 5.932 1.00 10.00 C ATOM 266 O ALA A 19 -2.079 -8.476 7.141 1.00 10.00 O ATOM 267 CB ALA A 19 -1.512 -10.317 4.419 1.00 10.00 C ATOM 0 H ALA A 19 -3.669 -9.864 3.341 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.000 -10.445 5.976 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.658 -10.425 5.088 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.779 -11.292 4.011 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.251 -9.642 3.604 1.00 10.00 H new ATOM 273 N HIS A 20 -2.271 -7.327 5.219 1.00 10.00 N ATOM 274 CA HIS A 20 -2.041 -6.028 5.844 1.00 10.00 C ATOM 275 C HIS A 20 -3.123 -5.771 6.909 1.00 10.00 C ATOM 276 O HIS A 20 -2.813 -5.401 8.039 1.00 10.00 O ATOM 277 CB HIS A 20 -1.997 -4.889 4.802 1.00 10.00 C ATOM 278 CG HIS A 20 -0.651 -4.532 4.191 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.002 -5.215 3.189 1.00 10.00 N ATOM 280 CD2 HIS A 20 0.034 -3.351 4.371 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.036 -4.467 2.790 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.126 -3.320 3.486 1.00 10.00 N ATOM 0 H HIS A 20 -2.397 -7.289 4.208 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.064 -6.045 6.327 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.673 -5.154 3.989 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.399 -3.991 5.271 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.257 -6.129 2.817 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.225 -2.575 5.077 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.718 -4.750 2.002 1.00 10.00 H new ATOM 290 N ALA A 21 -4.397 -6.002 6.573 1.00 10.00 N ATOM 291 CA ALA A 21 -5.524 -5.835 7.487 1.00 10.00 C ATOM 292 C ALA A 21 -5.490 -6.784 8.688 1.00 10.00 C ATOM 293 O ALA A 21 -5.917 -6.403 9.773 1.00 10.00 O ATOM 294 CB ALA A 21 -6.840 -6.012 6.739 1.00 10.00 C ATOM 0 H ALA A 21 -4.675 -6.315 5.643 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.441 -4.823 7.882 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.672 -5.885 7.432 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -6.911 -5.267 5.946 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.880 -7.010 6.303 1.00 10.00 H new ATOM 300 N GLU A 22 -4.985 -8.006 8.535 1.00 10.00 N ATOM 301 CA GLU A 22 -4.882 -8.936 9.658 1.00 10.00 C ATOM 302 C GLU A 22 -4.050 -8.363 10.824 1.00 10.00 C ATOM 303 O GLU A 22 -4.276 -8.718 11.979 1.00 10.00 O ATOM 304 CB GLU A 22 -4.410 -10.305 9.154 1.00 10.00 C ATOM 305 CG GLU A 22 -5.356 -10.790 8.043 1.00 10.00 C ATOM 306 CD GLU A 22 -5.648 -12.276 7.997 1.00 10.00 C ATOM 307 OE1 GLU A 22 -4.758 -13.046 7.587 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.831 -12.636 8.179 1.00 10.00 O ATOM 0 H GLU A 22 -4.642 -8.375 7.648 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.871 -9.082 10.092 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.391 -10.234 8.775 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.396 -11.022 9.974 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.303 -10.260 8.148 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.931 -10.497 7.083 1.00 10.00 H new ATOM 315 N LYS A 23 -3.142 -7.421 10.534 1.00 10.00 N ATOM 316 CA LYS A 23 -2.554 -6.516 11.516 1.00 10.00 C ATOM 317 C LYS A 23 -3.343 -5.196 11.674 1.00 10.00 C ATOM 318 O LYS A 23 -3.660 -4.790 12.788 1.00 10.00 O ATOM 319 CB LYS A 23 -1.101 -6.238 11.109 1.00 10.00 C ATOM 320 CG LYS A 23 -0.215 -7.478 11.292 1.00 10.00 C ATOM 321 CD LYS A 23 1.282 -7.180 11.099 1.00 10.00 C ATOM 322 CE LYS A 23 1.847 -6.286 12.215 1.00 10.00 C ATOM 323 NZ LYS A 23 3.327 -6.255 12.196 1.00 10.00 N ATOM 0 H LYS A 23 -2.792 -7.268 9.588 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.593 -7.000 12.492 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.069 -5.918 10.067 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.706 -5.417 11.707 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.373 -7.887 12.290 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.522 -8.245 10.581 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.836 -8.118 11.072 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.432 -6.693 10.135 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.460 -5.273 12.101 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.503 -6.651 13.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.678 -5.862 13.093 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.693 -7.221 12.074 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 3.652 -5.660 11.407 1.00 10.00 H new ATOM 337 N LEU A 24 -3.599 -4.488 10.569 1.00 10.00 N ATOM 338 CA LEU A 24 -4.005 -3.076 10.546 1.00 10.00 C ATOM 339 C LEU A 24 -5.524 -2.821 10.676 1.00 10.00 C ATOM 340 O LEU A 24 -5.949 -1.684 10.861 1.00 10.00 O ATOM 341 CB LEU A 24 -3.436 -2.446 9.264 1.00 10.00 C ATOM 342 CG LEU A 24 -1.901 -2.508 9.146 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.498 -2.027 7.750 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.204 -1.631 10.193 1.00 10.00 C ATOM 0 H LEU A 24 -3.528 -4.893 9.636 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.595 -2.606 11.440 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.874 -2.949 8.402 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.749 -1.403 9.217 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.591 -3.539 9.316 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.413 -2.065 7.651 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -1.954 -2.671 6.998 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.840 -1.002 7.606 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.124 -1.707 10.070 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.512 -0.594 10.062 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.480 -1.968 11.192 1.00 10.00 H new ATOM 356 N GLY A 25 -6.361 -3.854 10.589 1.00 10.00 N ATOM 357 CA GLY A 25 -7.784 -3.809 10.924 1.00 10.00 C ATOM 358 C GLY A 25 -8.660 -2.895 10.059 1.00 10.00 C ATOM 359 O GLY A 25 -9.581 -2.282 10.584 1.00 10.00 O ATOM 0 H GLY A 25 -6.058 -4.775 10.273 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.182 -4.822 10.862 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.881 -3.492 11.962 1.00 10.00 H new ATOM 363 N CYS A 26 -8.389 -2.833 8.749 1.00 10.00 N ATOM 364 CA CYS A 26 -9.078 -2.035 7.720 1.00 10.00 C ATOM 365 C CYS A 26 -8.969 -0.519 7.946 1.00 10.00 C ATOM 366 O CYS A 26 -8.456 0.200 7.088 1.00 10.00 O ATOM 367 CB CYS A 26 -10.531 -2.415 7.558 1.00 10.00 C ATOM 368 SG CYS A 26 -10.896 -4.189 7.374 1.00 10.00 S ATOM 0 H CYS A 26 -7.626 -3.379 8.348 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.549 -2.276 6.798 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.079 -2.043 8.424 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.924 -1.894 6.685 1.00 10.00 H new ATOM 373 N ASP A 27 -9.472 -0.039 9.084 1.00 10.00 N ATOM 374 CA ASP A 27 -9.644 1.350 9.482 1.00 10.00 C ATOM 375 C ASP A 27 -8.358 2.154 9.273 1.00 10.00 C ATOM 376 O ASP A 27 -8.382 3.266 8.752 1.00 10.00 O ATOM 377 CB ASP A 27 -10.105 1.371 10.948 1.00 10.00 C ATOM 378 CG ASP A 27 -11.482 0.758 11.184 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.998 0.092 10.262 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.992 0.968 12.305 1.00 10.00 O ATOM 0 H ASP A 27 -9.797 -0.674 9.813 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.400 1.827 8.858 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.374 0.836 11.554 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.115 2.403 11.298 1.00 10.00 H new ATOM 385 N ALA A 28 -7.220 1.533 9.593 1.00 10.00 N ATOM 386 CA ALA A 28 -5.876 2.023 9.302 1.00 10.00 C ATOM 387 C ALA A 28 -5.688 2.621 7.894 1.00 10.00 C ATOM 388 O ALA A 28 -4.875 3.525 7.719 1.00 10.00 O ATOM 389 CB ALA A 28 -4.934 0.841 9.483 1.00 10.00 C ATOM 0 H ALA A 28 -7.213 0.638 10.082 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.671 2.850 9.982 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.911 1.156 9.276 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.001 0.476 10.508 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.214 0.044 8.795 1.00 10.00 H new ATOM 395 N CYS A 29 -6.405 2.102 6.891 1.00 10.00 N ATOM 396 CA CYS A 29 -6.369 2.579 5.508 1.00 10.00 C ATOM 397 C CYS A 29 -7.698 3.228 5.083 1.00 10.00 C ATOM 398 O CYS A 29 -7.849 3.654 3.940 1.00 10.00 O ATOM 399 CB CYS A 29 -6.097 1.407 4.608 1.00 10.00 C ATOM 400 SG CYS A 29 -4.447 0.657 4.843 1.00 10.00 S ATOM 0 H CYS A 29 -7.043 1.317 7.025 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.588 3.335 5.431 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.858 0.646 4.779 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.195 1.728 3.571 1.00 10.00 H new ATOM 405 N HIS A 30 -8.688 3.261 5.974 1.00 10.00 N ATOM 406 CA HIS A 30 -10.076 3.511 5.637 1.00 10.00 C ATOM 407 C HIS A 30 -10.809 4.209 6.785 1.00 10.00 C ATOM 408 O HIS A 30 -11.508 3.568 7.567 1.00 10.00 O ATOM 409 CB HIS A 30 -10.721 2.167 5.270 1.00 10.00 C ATOM 410 CG HIS A 30 -10.313 1.574 3.952 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.475 2.158 2.724 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.924 0.285 3.733 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.169 1.239 1.785 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.822 0.073 2.347 1.00 10.00 N ATOM 0 H HIS A 30 -8.537 3.110 6.971 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.143 4.189 4.786 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.487 1.449 6.056 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.803 2.296 5.267 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.774 3.118 2.550 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.727 -0.451 4.498 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.200 1.419 0.721 1.00 10.00 H new ATOM 422 N GLU A 31 -10.699 5.538 6.836 1.00 10.00 N ATOM 423 CA GLU A 31 -11.399 6.356 7.811 1.00 10.00 C ATOM 424 C GLU A 31 -12.922 6.349 7.578 1.00 10.00 C ATOM 425 O GLU A 31 -13.490 7.295 7.036 1.00 10.00 O ATOM 426 CB GLU A 31 -10.812 7.774 7.783 1.00 10.00 C ATOM 427 CG GLU A 31 -9.390 7.831 8.375 1.00 10.00 C ATOM 428 CD GLU A 31 -9.333 7.707 9.897 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.415 7.652 10.522 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.193 7.702 10.408 1.00 10.00 O ATOM 0 H GLU A 31 -10.116 6.075 6.194 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.252 5.935 8.806 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -10.790 8.135 6.755 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.463 8.445 8.343 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.794 7.031 7.935 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.925 8.772 8.082 1.00 10.00 H new ATOM 437 N GLY A 32 -13.580 5.252 7.962 1.00 10.00 N ATOM 438 CA GLY A 32 -14.981 4.987 7.654 1.00 10.00 C ATOM 439 C GLY A 32 -15.148 4.340 6.272 1.00 10.00 C ATOM 440 O GLY A 32 -14.187 3.828 5.699 1.00 10.00 O ATOM 0 H GLY A 32 -13.141 4.510 8.507 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.403 4.331 8.416 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.544 5.920 7.689 1.00 10.00 H new ATOM 444 N THR A 33 -16.387 4.362 5.758 1.00 10.00 N ATOM 445 CA THR A 33 -16.861 3.832 4.473 1.00 10.00 C ATOM 446 C THR A 33 -15.756 3.384 3.498 1.00 10.00 C ATOM 447 O THR A 33 -15.322 4.171 2.657 1.00 10.00 O ATOM 448 CB THR A 33 -17.775 4.889 3.838 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.725 5.274 4.811 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.532 4.355 2.618 1.00 10.00 C ATOM 0 H THR A 33 -17.151 4.791 6.280 1.00 10.00 H new ATOM 0 HA THR A 33 -17.402 2.909 4.682 1.00 10.00 H new ATOM 0 HB THR A 33 -17.154 5.721 3.505 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.324 5.952 4.433 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.163 5.143 2.208 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.819 4.031 1.860 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.153 3.511 2.916 1.00 10.00 H new ATOM 458 N PRO A 34 -15.285 2.128 3.595 1.00 10.00 N ATOM 459 CA PRO A 34 -14.134 1.671 2.833 1.00 10.00 C ATOM 460 C PRO A 34 -14.479 1.529 1.345 1.00 10.00 C ATOM 461 O PRO A 34 -15.482 0.916 0.985 1.00 10.00 O ATOM 462 CB PRO A 34 -13.734 0.344 3.478 1.00 10.00 C ATOM 463 CG PRO A 34 -15.047 -0.184 4.051 1.00 10.00 C ATOM 464 CD PRO A 34 -15.740 1.094 4.513 1.00 10.00 C ATOM 0 HA PRO A 34 -13.306 2.380 2.859 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.309 -0.345 2.748 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.985 0.486 4.257 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.633 -0.716 3.301 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.881 -0.877 4.876 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.824 0.988 4.480 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.474 1.336 5.542 1.00 10.00 H new ATOM 472 N ALA A 35 -13.648 2.113 0.478 1.00 10.00 N ATOM 473 CA ALA A 35 -13.885 2.216 -0.959 1.00 10.00 C ATOM 474 C ALA A 35 -12.552 2.330 -1.720 1.00 10.00 C ATOM 475 O ALA A 35 -11.483 2.293 -1.113 1.00 10.00 O ATOM 476 CB ALA A 35 -14.795 3.421 -1.218 1.00 10.00 C ATOM 0 H ALA A 35 -12.767 2.539 0.767 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.380 1.316 -1.324 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.982 3.512 -2.288 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.741 3.282 -0.695 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.310 4.328 -0.856 1.00 10.00 H new ATOM 482 N LYS A 36 -12.596 2.460 -3.051 1.00 10.00 N ATOM 483 CA LYS A 36 -11.383 2.547 -3.861 1.00 10.00 C ATOM 484 C LYS A 36 -10.651 3.892 -3.692 1.00 10.00 C ATOM 485 O LYS A 36 -11.157 4.939 -4.083 1.00 10.00 O ATOM 486 CB LYS A 36 -11.674 2.211 -5.335 1.00 10.00 C ATOM 487 CG LYS A 36 -11.943 0.707 -5.491 1.00 10.00 C ATOM 488 CD LYS A 36 -12.044 0.256 -6.959 1.00 10.00 C ATOM 489 CE LYS A 36 -11.818 -1.264 -7.087 1.00 10.00 C ATOM 490 NZ LYS A 36 -12.770 -2.031 -6.259 1.00 10.00 N ATOM 0 H LYS A 36 -13.462 2.507 -3.588 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.692 1.791 -3.488 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -12.536 2.780 -5.682 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -10.828 2.503 -5.957 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -11.145 0.149 -5.001 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.870 0.455 -4.976 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.025 0.516 -7.356 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.306 0.789 -7.558 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -11.923 -1.561 -8.131 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.798 -1.506 -6.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.246 -2.591 -5.556 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.412 -1.375 -5.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -13.323 -2.669 -6.867 1.00 10.00 H new ATOM 504 N ILE A 37 -9.438 3.851 -3.123 1.00 10.00 N ATOM 505 CA ILE A 37 -8.633 5.027 -2.759 1.00 10.00 C ATOM 506 C ILE A 37 -7.922 5.692 -3.953 1.00 10.00 C ATOM 507 O ILE A 37 -7.479 6.834 -3.880 1.00 10.00 O ATOM 508 CB ILE A 37 -7.649 4.632 -1.631 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.410 3.942 -0.481 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.864 5.847 -1.103 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.544 3.651 0.749 1.00 10.00 C ATOM 0 H ILE A 37 -8.975 2.971 -2.896 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.313 5.797 -2.396 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.925 3.934 -2.052 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.248 4.573 -0.183 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -8.831 3.005 -0.847 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.185 5.526 -0.313 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.290 6.291 -1.916 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.560 6.585 -0.705 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.150 3.165 1.514 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.721 2.994 0.467 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.144 4.586 1.142 1.00 10.00 H new ATOM 523 N ALA A 38 -7.837 4.958 -5.057 1.00 10.00 N ATOM 524 CA ALA A 38 -7.166 5.306 -6.307 1.00 10.00 C ATOM 525 C ALA A 38 -5.642 5.473 -6.199 1.00 10.00 C ATOM 526 O ALA A 38 -5.088 6.538 -5.915 1.00 10.00 O ATOM 527 CB ALA A 38 -7.839 6.479 -6.987 1.00 10.00 C ATOM 0 H ALA A 38 -8.267 4.035 -5.106 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.284 4.434 -6.951 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.315 6.712 -7.914 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.875 6.225 -7.210 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.812 7.346 -6.327 1.00 10.00 H new ATOM 533 N ILE A 39 -4.976 4.360 -6.483 1.00 10.00 N ATOM 534 CA ILE A 39 -3.537 4.175 -6.396 1.00 10.00 C ATOM 535 C ILE A 39 -2.917 4.068 -7.790 1.00 10.00 C ATOM 536 O ILE A 39 -3.316 3.220 -8.585 1.00 10.00 O ATOM 537 CB ILE A 39 -3.242 2.909 -5.584 1.00 10.00 C ATOM 538 CG1 ILE A 39 -3.940 2.939 -4.215 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.725 2.704 -5.450 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.447 4.035 -3.265 1.00 10.00 C ATOM 0 H ILE A 39 -5.455 3.516 -6.798 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.096 5.039 -5.900 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.651 2.054 -6.122 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.011 3.069 -4.372 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.804 1.971 -3.732 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.530 1.801 -4.871 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.283 2.602 -6.441 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.285 3.563 -4.943 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.997 3.977 -2.326 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.383 3.897 -3.071 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.609 5.012 -3.721 1.00 10.00 H new ATOM 552 N ASP A 40 -1.920 4.910 -8.052 1.00 10.00 N ATOM 553 CA ASP A 40 -1.133 4.909 -9.269 1.00 10.00 C ATOM 554 C ASP A 40 0.310 5.349 -8.994 1.00 10.00 C ATOM 555 O ASP A 40 0.684 5.741 -7.884 1.00 10.00 O ATOM 556 CB ASP A 40 -1.810 5.828 -10.309 1.00 10.00 C ATOM 557 CG ASP A 40 -1.671 7.326 -10.038 1.00 10.00 C ATOM 558 OD1 ASP A 40 -1.212 7.689 -8.932 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.932 8.111 -10.972 1.00 10.00 O ATOM 0 H ASP A 40 -1.633 5.635 -7.395 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.087 3.895 -9.666 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.389 5.612 -11.291 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.870 5.580 -10.355 1.00 10.00 H new ATOM 564 N LYS A 41 1.071 5.367 -10.081 1.00 10.00 N ATOM 565 CA LYS A 41 2.337 6.042 -10.312 1.00 10.00 C ATOM 566 C LYS A 41 2.528 7.411 -9.628 1.00 10.00 C ATOM 567 O LYS A 41 3.671 7.791 -9.384 1.00 10.00 O ATOM 568 CB LYS A 41 2.582 6.075 -11.827 1.00 10.00 C ATOM 569 CG LYS A 41 1.509 6.839 -12.623 1.00 10.00 C ATOM 570 CD LYS A 41 1.057 6.088 -13.892 1.00 10.00 C ATOM 571 CE LYS A 41 2.092 6.059 -15.028 1.00 10.00 C ATOM 572 NZ LYS A 41 3.181 5.090 -14.783 1.00 10.00 N ATOM 0 H LYS A 41 0.782 4.851 -10.912 1.00 10.00 H new ATOM 0 HA LYS A 41 3.108 5.459 -9.808 1.00 10.00 H new ATOM 0 HB2 LYS A 41 3.553 6.532 -12.017 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.633 5.051 -12.198 1.00 10.00 H new ATOM 0 HG2 LYS A 41 0.644 7.014 -11.983 1.00 10.00 H new ATOM 0 HG3 LYS A 41 1.900 7.817 -12.905 1.00 10.00 H new ATOM 0 HD2 LYS A 41 0.808 5.062 -13.620 1.00 10.00 H new ATOM 0 HD3 LYS A 41 0.143 6.550 -14.264 1.00 10.00 H new ATOM 0 HE2 LYS A 41 1.592 5.808 -15.963 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.518 7.055 -15.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.813 5.062 -15.608 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.721 5.380 -13.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.776 4.145 -14.625 1.00 10.00 H new ATOM 586 N LYS A 42 1.466 8.142 -9.273 1.00 10.00 N ATOM 587 CA LYS A 42 1.541 9.405 -8.548 1.00 10.00 C ATOM 588 C LYS A 42 1.177 9.212 -7.066 1.00 10.00 C ATOM 589 O LYS A 42 2.018 9.458 -6.201 1.00 10.00 O ATOM 590 CB LYS A 42 0.662 10.422 -9.293 1.00 10.00 C ATOM 591 CG LYS A 42 0.563 11.803 -8.625 1.00 10.00 C ATOM 592 CD LYS A 42 -0.700 12.003 -7.762 1.00 10.00 C ATOM 593 CE LYS A 42 -2.036 11.662 -8.448 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.097 12.137 -9.847 1.00 10.00 N ATOM 0 H LYS A 42 0.510 7.861 -9.489 1.00 10.00 H new ATOM 0 HA LYS A 42 2.559 9.795 -8.526 1.00 10.00 H new ATOM 0 HB2 LYS A 42 1.055 10.550 -10.302 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.342 10.009 -9.392 1.00 10.00 H new ATOM 0 HG2 LYS A 42 1.443 11.955 -8.000 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.585 12.570 -9.399 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.606 11.391 -6.865 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.735 13.043 -7.436 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -2.185 10.582 -8.428 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.854 12.107 -7.882 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -3.080 12.099 -10.184 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.752 13.117 -9.896 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.502 11.530 -10.446 1.00 10.00 H new ATOM 608 N SER A 43 -0.044 8.757 -6.753 1.00 10.00 N ATOM 609 CA SER A 43 -0.489 8.515 -5.374 1.00 10.00 C ATOM 610 C SER A 43 0.546 7.692 -4.598 1.00 10.00 C ATOM 611 O SER A 43 1.000 8.108 -3.529 1.00 10.00 O ATOM 612 CB SER A 43 -1.847 7.792 -5.358 1.00 10.00 C ATOM 613 OG SER A 43 -2.864 8.526 -6.015 1.00 10.00 O ATOM 0 H SER A 43 -0.755 8.545 -7.453 1.00 10.00 H new ATOM 0 HA SER A 43 -0.599 9.484 -4.888 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.741 6.818 -5.836 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.145 7.610 -4.325 1.00 10.00 H new ATOM 0 HG SER A 43 -3.685 7.991 -6.047 1.00 10.00 H new ATOM 619 N ALA A 44 0.960 6.554 -5.170 1.00 10.00 N ATOM 620 CA ALA A 44 1.862 5.598 -4.533 1.00 10.00 C ATOM 621 C ALA A 44 3.257 6.156 -4.219 1.00 10.00 C ATOM 622 O ALA A 44 4.034 5.494 -3.533 1.00 10.00 O ATOM 623 CB ALA A 44 1.989 4.360 -5.421 1.00 10.00 C ATOM 0 H ALA A 44 0.669 6.271 -6.106 1.00 10.00 H new ATOM 0 HA ALA A 44 1.418 5.351 -3.569 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.661 3.642 -4.951 1.00 10.00 H new ATOM 0 HB2 ALA A 44 1.007 3.905 -5.553 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.389 4.649 -6.393 1.00 10.00 H new ATOM 629 N HIS A 45 3.598 7.350 -4.725 1.00 10.00 N ATOM 630 CA HIS A 45 4.881 7.991 -4.446 1.00 10.00 C ATOM 631 C HIS A 45 4.728 9.418 -3.905 1.00 10.00 C ATOM 632 O HIS A 45 5.737 10.107 -3.744 1.00 10.00 O ATOM 633 CB HIS A 45 5.789 7.939 -5.680 1.00 10.00 C ATOM 634 CG HIS A 45 5.736 6.616 -6.393 1.00 10.00 C ATOM 635 ND1 HIS A 45 4.830 6.344 -7.376 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.435 5.460 -6.132 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.976 5.059 -7.701 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.951 4.467 -6.999 1.00 10.00 N ATOM 0 H HIS A 45 2.990 7.894 -5.338 1.00 10.00 H new ATOM 0 HA HIS A 45 5.359 7.423 -3.648 1.00 10.00 H new ATOM 0 HB2 HIS A 45 5.499 8.730 -6.371 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.816 8.141 -5.377 1.00 10.00 H new ATOM 0 HD1 HIS A 45 4.165 7.001 -7.786 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.214 5.338 -5.394 1.00 10.00 H new ATOM 0 HE1 HIS A 45 4.377 4.554 -8.444 1.00 10.00 H new ATOM 646 N LYS A 46 3.517 9.829 -3.514 1.00 10.00 N ATOM 647 CA LYS A 46 3.342 10.983 -2.638 1.00 10.00 C ATOM 648 C LYS A 46 3.237 10.486 -1.194 1.00 10.00 C ATOM 649 O LYS A 46 4.257 10.345 -0.516 1.00 10.00 O ATOM 650 CB LYS A 46 2.125 11.818 -3.071 1.00 10.00 C ATOM 651 CG LYS A 46 2.478 12.763 -4.226 1.00 10.00 C ATOM 652 CD LYS A 46 1.279 13.682 -4.512 1.00 10.00 C ATOM 653 CE LYS A 46 1.644 14.866 -5.420 1.00 10.00 C ATOM 654 NZ LYS A 46 2.459 15.878 -4.709 1.00 10.00 N ATOM 0 H LYS A 46 2.646 9.377 -3.793 1.00 10.00 H new ATOM 0 HA LYS A 46 4.202 11.649 -2.710 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.316 11.154 -3.376 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.759 12.398 -2.223 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.355 13.358 -3.970 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.732 12.189 -5.117 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.485 13.101 -4.981 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.883 14.060 -3.569 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.194 14.502 -6.288 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.732 15.332 -5.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.584 16.713 -5.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.977 16.158 -3.831 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.390 15.475 -4.479 1.00 10.00 H new ATOM 668 N ASP A 47 2.009 10.207 -0.756 1.00 10.00 N ATOM 669 CA ASP A 47 1.679 9.815 0.603 1.00 10.00 C ATOM 670 C ASP A 47 1.207 8.353 0.672 1.00 10.00 C ATOM 671 O ASP A 47 1.690 7.584 1.506 1.00 10.00 O ATOM 672 CB ASP A 47 0.625 10.800 1.116 1.00 10.00 C ATOM 673 CG ASP A 47 0.402 10.596 2.601 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.449 9.748 2.933 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.147 11.243 3.367 1.00 10.00 O ATOM 0 H ASP A 47 1.192 10.251 -1.364 1.00 10.00 H new ATOM 0 HA ASP A 47 2.561 9.858 1.241 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.949 11.823 0.926 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.311 10.657 0.577 1.00 10.00 H new ATOM 680 N ALA A 48 0.290 7.961 -0.225 1.00 10.00 N ATOM 681 CA ALA A 48 -0.295 6.625 -0.229 1.00 10.00 C ATOM 682 C ALA A 48 0.782 5.530 -0.260 1.00 10.00 C ATOM 683 O ALA A 48 1.799 5.665 -0.942 1.00 10.00 O ATOM 684 CB ALA A 48 -1.279 6.486 -1.392 1.00 10.00 C ATOM 0 H ALA A 48 -0.063 8.567 -0.966 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.845 6.490 0.703 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.710 5.485 -1.386 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.074 7.224 -1.286 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.755 6.650 -2.334 1.00 10.00 H new ATOM 690 N CYS A 49 0.579 4.479 0.543 1.00 10.00 N ATOM 691 CA CYS A 49 1.564 3.440 0.867 1.00 10.00 C ATOM 692 C CYS A 49 2.723 3.985 1.709 1.00 10.00 C ATOM 693 O CYS A 49 2.938 3.575 2.853 1.00 10.00 O ATOM 694 CB CYS A 49 2.076 2.703 -0.355 1.00 10.00 C ATOM 695 SG CYS A 49 0.783 2.159 -1.519 1.00 10.00 S ATOM 0 H CYS A 49 -0.317 4.322 1.006 1.00 10.00 H new ATOM 0 HA CYS A 49 1.028 2.709 1.472 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.774 3.350 -0.886 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.639 1.830 -0.026 1.00 10.00 H new ATOM 700 N LYS A 50 3.482 4.910 1.123 1.00 10.00 N ATOM 701 CA LYS A 50 4.708 5.437 1.685 1.00 10.00 C ATOM 702 C LYS A 50 4.563 5.954 3.116 1.00 10.00 C ATOM 703 O LYS A 50 5.267 5.473 3.994 1.00 10.00 O ATOM 704 CB LYS A 50 5.285 6.517 0.775 1.00 10.00 C ATOM 705 CG LYS A 50 5.769 5.936 -0.557 1.00 10.00 C ATOM 706 CD LYS A 50 6.916 6.775 -1.138 1.00 10.00 C ATOM 707 CE LYS A 50 6.520 8.255 -1.210 1.00 10.00 C ATOM 708 NZ LYS A 50 7.421 9.020 -2.097 1.00 10.00 N ATOM 0 H LYS A 50 3.247 5.320 0.219 1.00 10.00 H new ATOM 0 HA LYS A 50 5.401 4.598 1.744 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.527 7.277 0.586 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.115 7.012 1.279 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.103 4.909 -0.410 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.942 5.904 -1.266 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.806 6.661 -0.520 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.171 6.412 -2.134 1.00 10.00 H new ATOM 0 HE2 LYS A 50 5.495 8.340 -1.571 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.542 8.687 -0.209 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.121 9.532 -1.523 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 7.912 8.367 -2.740 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 6.865 9.700 -2.653 1.00 10.00 H new ATOM 722 N THR A 51 3.715 6.952 3.371 1.00 10.00 N ATOM 723 CA THR A 51 3.702 7.657 4.660 1.00 10.00 C ATOM 724 C THR A 51 3.489 6.733 5.867 1.00 10.00 C ATOM 725 O THR A 51 4.041 6.989 6.933 1.00 10.00 O ATOM 726 CB THR A 51 2.736 8.847 4.613 1.00 10.00 C ATOM 727 OG1 THR A 51 3.316 9.830 3.780 1.00 10.00 O ATOM 728 CG2 THR A 51 2.513 9.502 5.979 1.00 10.00 C ATOM 0 H THR A 51 3.025 7.293 2.702 1.00 10.00 H new ATOM 0 HA THR A 51 4.702 8.060 4.820 1.00 10.00 H new ATOM 0 HB THR A 51 1.776 8.474 4.256 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.688 10.574 3.665 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.820 10.336 5.874 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.097 8.769 6.670 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.464 9.867 6.367 1.00 10.00 H new ATOM 736 N CYS A 52 2.768 5.619 5.698 1.00 10.00 N ATOM 737 CA CYS A 52 2.775 4.551 6.699 1.00 10.00 C ATOM 738 C CYS A 52 4.143 3.859 6.741 1.00 10.00 C ATOM 739 O CYS A 52 4.810 3.877 7.774 1.00 10.00 O ATOM 740 CB CYS A 52 1.661 3.576 6.437 1.00 10.00 C ATOM 741 SG CYS A 52 1.634 2.318 7.749 1.00 10.00 S ATOM 0 H CYS A 52 2.179 5.436 4.886 1.00 10.00 H new ATOM 0 HA CYS A 52 2.602 4.989 7.682 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.706 4.100 6.401 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.800 3.101 5.466 1.00 10.00 H new ATOM 746 N HIS A 53 4.588 3.294 5.611 1.00 10.00 N ATOM 747 CA HIS A 53 5.885 2.634 5.458 1.00 10.00 C ATOM 748 C HIS A 53 7.063 3.386 6.127 1.00 10.00 C ATOM 749 O HIS A 53 7.873 2.783 6.839 1.00 10.00 O ATOM 750 CB HIS A 53 6.121 2.364 3.965 1.00 10.00 C ATOM 751 CG HIS A 53 5.565 1.045 3.526 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.314 -0.042 3.165 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.260 0.645 3.620 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.457 -1.079 3.053 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.186 -0.725 3.323 1.00 10.00 N ATOM 0 H HIS A 53 4.036 3.285 4.753 1.00 10.00 H new ATOM 0 HA HIS A 53 5.851 1.689 6.000 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.664 3.161 3.378 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.191 2.390 3.759 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.322 -0.064 3.011 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.425 1.279 3.880 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.757 -2.079 2.778 1.00 10.00 H new ATOM 763 N LYS A 54 7.134 4.705 5.913 1.00 10.00 N ATOM 764 CA LYS A 54 8.066 5.642 6.538 1.00 10.00 C ATOM 765 C LYS A 54 8.233 5.439 8.048 1.00 10.00 C ATOM 766 O LYS A 54 9.340 5.560 8.563 1.00 10.00 O ATOM 767 CB LYS A 54 7.611 7.066 6.278 1.00 10.00 C ATOM 768 CG LYS A 54 7.754 7.439 4.806 1.00 10.00 C ATOM 769 CD LYS A 54 7.790 8.958 4.779 1.00 10.00 C ATOM 770 CE LYS A 54 7.399 9.527 3.409 1.00 10.00 C ATOM 771 NZ LYS A 54 7.109 10.975 3.494 1.00 10.00 N ATOM 0 H LYS A 54 6.504 5.171 5.260 1.00 10.00 H new ATOM 0 HA LYS A 54 9.038 5.448 6.085 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.571 7.178 6.583 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.198 7.753 6.887 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.664 7.016 4.380 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.919 7.055 4.220 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.113 9.349 5.539 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.792 9.300 5.039 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.207 9.356 2.697 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.524 9.000 3.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 6.848 11.332 2.553 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 6.322 11.133 4.155 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 7.953 11.479 3.833 1.00 10.00 H new ATOM 785 N SER A 55 7.154 5.134 8.780 1.00 10.00 N ATOM 786 CA SER A 55 7.153 5.152 10.242 1.00 10.00 C ATOM 787 C SER A 55 7.800 3.911 10.876 1.00 10.00 C ATOM 788 O SER A 55 7.548 3.631 12.046 1.00 10.00 O ATOM 789 CB SER A 55 5.724 5.388 10.755 1.00 10.00 C ATOM 790 OG SER A 55 4.884 4.289 10.467 1.00 10.00 O ATOM 0 H SER A 55 6.258 4.868 8.372 1.00 10.00 H new ATOM 0 HA SER A 55 7.786 5.982 10.557 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.746 5.559 11.831 1.00 10.00 H new ATOM 0 HB3 SER A 55 5.316 6.289 10.298 1.00 10.00 H new ATOM 0 HG SER A 55 4.806 4.182 9.496 1.00 10.00 H new ATOM 796 N ASN A 56 8.700 3.241 10.140 1.00 10.00 N ATOM 797 CA ASN A 56 9.536 2.110 10.556 1.00 10.00 C ATOM 798 C ASN A 56 8.823 0.760 10.376 1.00 10.00 C ATOM 799 O ASN A 56 8.515 0.078 11.349 1.00 10.00 O ATOM 800 CB ASN A 56 10.088 2.273 11.980 1.00 10.00 C ATOM 801 CG ASN A 56 10.797 3.601 12.210 1.00 10.00 C ATOM 802 OD1 ASN A 56 11.975 3.755 11.915 1.00 10.00 O ATOM 803 ND2 ASN A 56 10.089 4.578 12.760 1.00 10.00 N ATOM 0 H ASN A 56 8.873 3.496 9.168 1.00 10.00 H new ATOM 0 HA ASN A 56 10.395 2.111 9.885 1.00 10.00 H new ATOM 0 HB2 ASN A 56 9.268 2.181 12.692 1.00 10.00 H new ATOM 0 HB3 ASN A 56 10.783 1.459 12.187 1.00 10.00 H new ATOM 0 HD21 ASN A 56 10.525 5.481 12.946 1.00 10.00 H new ATOM 0 HD22 ASN A 56 9.109 4.426 12.997 1.00 10.00 H new ATOM 810 N ASN A 57 8.589 0.367 9.120 1.00 10.00 N ATOM 811 CA ASN A 57 7.903 -0.885 8.778 1.00 10.00 C ATOM 812 C ASN A 57 8.894 -1.950 8.288 1.00 10.00 C ATOM 813 O ASN A 57 8.950 -3.051 8.825 1.00 10.00 O ATOM 814 CB ASN A 57 6.814 -0.611 7.734 1.00 10.00 C ATOM 815 CG ASN A 57 5.707 0.294 8.268 1.00 10.00 C ATOM 816 OD1 ASN A 57 4.571 -0.126 8.438 1.00 10.00 O ATOM 817 ND2 ASN A 57 6.004 1.566 8.480 1.00 10.00 N ATOM 0 H ASN A 57 8.872 0.912 8.306 1.00 10.00 H new ATOM 0 HA ASN A 57 7.431 -1.281 9.677 1.00 10.00 H new ATOM 0 HB2 ASN A 57 7.265 -0.149 6.856 1.00 10.00 H new ATOM 0 HB3 ASN A 57 6.381 -1.557 7.409 1.00 10.00 H new ATOM 0 HD21 ASN A 57 5.280 2.214 8.790 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.957 1.899 8.333 1.00 10.00 H new ATOM 824 N GLY A 58 9.680 -1.620 7.257 1.00 10.00 N ATOM 825 CA GLY A 58 10.704 -2.509 6.708 1.00 10.00 C ATOM 826 C GLY A 58 11.105 -2.090 5.290 1.00 10.00 C ATOM 827 O GLY A 58 12.095 -1.379 5.116 1.00 10.00 O ATOM 0 H GLY A 58 9.621 -0.721 6.778 1.00 10.00 H new ATOM 0 HA2 GLY A 58 11.582 -2.498 7.354 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.330 -3.533 6.695 1.00 10.00 H new ATOM 831 N PRO A 59 10.343 -2.488 4.259 1.00 10.00 N ATOM 832 CA PRO A 59 10.603 -2.082 2.885 1.00 10.00 C ATOM 833 C PRO A 59 10.379 -0.572 2.701 1.00 10.00 C ATOM 834 O PRO A 59 9.242 -0.079 2.733 1.00 10.00 O ATOM 835 CB PRO A 59 9.674 -2.929 2.016 1.00 10.00 C ATOM 836 CG PRO A 59 8.517 -3.230 2.962 1.00 10.00 C ATOM 837 CD PRO A 59 9.184 -3.361 4.328 1.00 10.00 C ATOM 0 HA PRO A 59 11.642 -2.248 2.600 1.00 10.00 H new ATOM 0 HB2 PRO A 59 9.343 -2.388 1.130 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.162 -3.840 1.669 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.776 -2.430 2.954 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.999 -4.147 2.681 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.509 -3.060 5.129 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.476 -4.392 4.529 1.00 10.00 H new ATOM 845 N THR A 60 11.503 0.134 2.509 1.00 10.00 N ATOM 846 CA THR A 60 11.620 1.582 2.323 1.00 10.00 C ATOM 847 C THR A 60 12.520 1.942 1.122 1.00 10.00 C ATOM 848 O THR A 60 13.213 2.959 1.132 1.00 10.00 O ATOM 849 CB THR A 60 12.129 2.220 3.632 1.00 10.00 C ATOM 850 OG1 THR A 60 12.181 3.623 3.495 1.00 10.00 O ATOM 851 CG2 THR A 60 13.519 1.725 4.051 1.00 10.00 C ATOM 0 H THR A 60 12.413 -0.325 2.478 1.00 10.00 H new ATOM 0 HA THR A 60 10.635 1.986 2.090 1.00 10.00 H new ATOM 0 HB THR A 60 11.423 1.922 4.407 1.00 10.00 H new ATOM 0 HG1 THR A 60 12.648 3.854 2.665 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.815 2.214 4.979 1.00 10.00 H new ATOM 0 HG22 THR A 60 13.491 0.646 4.203 1.00 10.00 H new ATOM 0 HG23 THR A 60 14.241 1.963 3.269 1.00 10.00 H new ATOM 859 N LYS A 61 12.506 1.112 0.073 1.00 10.00 N ATOM 860 CA LYS A 61 13.233 1.313 -1.182 1.00 10.00 C ATOM 861 C LYS A 61 12.397 0.756 -2.342 1.00 10.00 C ATOM 862 O LYS A 61 11.541 -0.097 -2.105 1.00 10.00 O ATOM 863 CB LYS A 61 14.623 0.650 -1.108 1.00 10.00 C ATOM 864 CG LYS A 61 14.558 -0.867 -0.851 1.00 10.00 C ATOM 865 CD LYS A 61 15.941 -1.534 -0.761 1.00 10.00 C ATOM 866 CE LYS A 61 16.642 -1.624 -2.125 1.00 10.00 C ATOM 867 NZ LYS A 61 17.854 -2.472 -2.061 1.00 10.00 N ATOM 0 H LYS A 61 11.965 0.247 0.077 1.00 10.00 H new ATOM 0 HA LYS A 61 13.393 2.378 -1.353 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.155 0.831 -2.042 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.202 1.122 -0.314 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.015 -1.047 0.077 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.987 -1.339 -1.651 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.568 -0.970 -0.071 1.00 10.00 H new ATOM 0 HD3 LYS A 61 15.831 -2.536 -0.346 1.00 10.00 H new ATOM 0 HE2 LYS A 61 15.951 -2.031 -2.863 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.915 -0.624 -2.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.301 -2.510 -2.999 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 18.523 -2.069 -1.374 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 17.590 -3.433 -1.764 1.00 10.00 H new ATOM 881 N CYS A 62 12.643 1.202 -3.582 1.00 10.00 N ATOM 882 CA CYS A 62 11.888 0.763 -4.763 1.00 10.00 C ATOM 883 C CYS A 62 11.723 -0.763 -4.787 1.00 10.00 C ATOM 884 O CYS A 62 10.605 -1.273 -4.734 1.00 10.00 O ATOM 885 CB CYS A 62 12.532 1.239 -6.049 1.00 10.00 C ATOM 886 SG CYS A 62 13.149 2.949 -6.022 1.00 10.00 S ATOM 0 H CYS A 62 13.375 1.880 -3.794 1.00 10.00 H new ATOM 0 HA CYS A 62 10.899 1.216 -4.691 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.362 0.574 -6.288 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.806 1.145 -6.856 1.00 10.00 H new ATOM 891 N GLY A 63 12.855 -1.477 -4.782 1.00 10.00 N ATOM 892 CA GLY A 63 12.938 -2.938 -4.779 1.00 10.00 C ATOM 893 C GLY A 63 12.381 -3.622 -3.518 1.00 10.00 C ATOM 894 O GLY A 63 12.325 -4.844 -3.451 1.00 10.00 O ATOM 0 H GLY A 63 13.773 -1.033 -4.780 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.400 -3.319 -5.647 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.982 -3.227 -4.899 1.00 10.00 H new ATOM 898 N GLY A 64 11.999 -2.849 -2.495 1.00 10.00 N ATOM 899 CA GLY A 64 11.305 -3.356 -1.319 1.00 10.00 C ATOM 900 C GLY A 64 9.789 -3.365 -1.527 1.00 10.00 C ATOM 901 O GLY A 64 9.082 -4.101 -0.844 1.00 10.00 O ATOM 0 H GLY A 64 12.168 -1.843 -2.466 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.650 -4.366 -1.098 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.552 -2.739 -0.455 1.00 10.00 H new ATOM 905 N CYS A 65 9.285 -2.528 -2.444 1.00 10.00 N ATOM 906 CA CYS A 65 7.860 -2.434 -2.753 1.00 10.00 C ATOM 907 C CYS A 65 7.565 -3.140 -4.080 1.00 10.00 C ATOM 908 O CYS A 65 6.752 -4.055 -4.129 1.00 10.00 O ATOM 909 CB CYS A 65 7.437 -0.987 -2.725 1.00 10.00 C ATOM 910 SG CYS A 65 5.633 -0.871 -2.545 1.00 10.00 S ATOM 0 H CYS A 65 9.864 -1.894 -2.994 1.00 10.00 H new ATOM 0 HA CYS A 65 7.265 -2.949 -1.999 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.927 -0.472 -1.899 1.00 10.00 H new ATOM 0 HB3 CYS A 65 7.752 -0.490 -3.642 1.00 10.00 H new ATOM 915 N HIS A 66 8.278 -2.771 -5.144 1.00 10.00 N ATOM 916 CA HIS A 66 8.287 -3.494 -6.408 1.00 10.00 C ATOM 917 C HIS A 66 9.227 -4.710 -6.322 1.00 10.00 C ATOM 918 O HIS A 66 10.340 -4.567 -5.825 1.00 10.00 O ATOM 919 CB HIS A 66 8.798 -2.530 -7.484 1.00 10.00 C ATOM 920 CG HIS A 66 7.933 -1.331 -7.694 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.961 -1.259 -8.641 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.989 -0.118 -7.065 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.417 -0.040 -8.583 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.009 0.711 -7.640 1.00 10.00 N ATOM 0 H HIS A 66 8.876 -1.945 -5.148 1.00 10.00 H new ATOM 0 HA HIS A 66 7.285 -3.852 -6.645 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.800 -2.198 -7.212 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.886 -3.070 -8.427 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.694 -2.005 -9.283 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.665 0.155 -6.268 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.607 0.297 -9.212 1.00 10.00 H new ATOM 932 N ILE A 67 8.849 -5.870 -6.867 1.00 10.00 N ATOM 933 CA ILE A 67 9.800 -6.979 -7.018 1.00 10.00 C ATOM 934 C ILE A 67 10.997 -6.566 -7.897 1.00 10.00 C ATOM 935 O ILE A 67 10.817 -6.248 -9.072 1.00 10.00 O ATOM 936 CB ILE A 67 9.112 -8.231 -7.599 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.883 -8.693 -6.796 1.00 10.00 C ATOM 938 CG2 ILE A 67 10.115 -9.390 -7.721 1.00 10.00 C ATOM 939 CD1 ILE A 67 8.134 -8.899 -5.299 1.00 10.00 C ATOM 0 H ILE A 67 7.907 -6.066 -7.207 1.00 10.00 H new ATOM 0 HA ILE A 67 10.173 -7.228 -6.024 1.00 10.00 H new ATOM 0 HB ILE A 67 8.751 -7.939 -8.585 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.089 -7.957 -6.919 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.519 -9.628 -7.221 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.612 -10.265 -8.133 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.931 -9.097 -8.381 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.514 -9.631 -6.736 1.00 10.00 H new ATOM 0 HD11 ILE A 67 7.212 -9.224 -4.817 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.903 -9.659 -5.160 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.466 -7.961 -4.853 1.00 10.00 H new ATOM 951 N LYS A 68 12.210 -6.588 -7.334 1.00 10.00 N ATOM 952 CA LYS A 68 13.492 -6.399 -7.998 1.00 10.00 C ATOM 953 C LYS A 68 14.615 -6.863 -7.058 1.00 10.00 C ATOM 954 O LYS A 68 14.286 -7.163 -5.887 1.00 10.00 O ATOM 955 CB LYS A 68 13.689 -4.925 -8.392 1.00 10.00 C ATOM 956 CG LYS A 68 13.574 -4.767 -9.910 1.00 10.00 C ATOM 957 CD LYS A 68 14.044 -3.388 -10.388 1.00 10.00 C ATOM 958 CE LYS A 68 13.160 -2.267 -9.826 1.00 10.00 C ATOM 959 NZ LYS A 68 13.548 -0.956 -10.382 1.00 10.00 N ATOM 960 OXT LYS A 68 15.777 -6.892 -7.523 1.00 10.00 O ATOM 0 H LYS A 68 12.323 -6.750 -6.333 1.00 10.00 H new ATOM 0 HA LYS A 68 13.516 -6.992 -8.912 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.942 -4.305 -7.896 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.666 -4.578 -8.055 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.166 -5.540 -10.400 1.00 10.00 H new ATOM 0 HG3 LYS A 68 12.538 -4.920 -10.212 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.077 -3.227 -10.080 1.00 10.00 H new ATOM 0 HD3 LYS A 68 14.028 -3.354 -11.477 1.00 10.00 H new ATOM 0 HE2 LYS A 68 12.115 -2.471 -10.061 1.00 10.00 H new ATOM 0 HE3 LYS A 68 13.243 -2.244 -8.739 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 12.935 -0.216 -9.986 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 14.538 -0.754 -10.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 13.445 -0.974 -11.417 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.298 -1.573 1.356 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.134 -0.734 -1.747 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.329 -2.557 2.036 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.100 -3.145 3.972 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.494 0.135 1.056 1.00 10.00 C HETATM 980 NA HEC A 130 -10.892 -1.609 0.369 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.054 -1.262 -0.919 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.425 -1.521 -1.321 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.083 -1.854 -0.169 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.061 -2.029 0.834 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.578 -2.033 0.006 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.052 -1.337 -2.696 1.00 10.00 C HETATM 987 CBA HEC A 130 -14.007 -2.450 -3.175 1.00 10.00 C HETATM 988 CGA HEC A 130 -13.319 -3.791 -3.481 1.00 10.00 C HETATM 989 O1A HEC A 130 -13.268 -4.659 -2.577 1.00 10.00 O HETATM 990 O2A HEC A 130 -12.866 -3.930 -4.642 1.00 10.00 O HETATM 991 NB HEC A 130 -10.061 -2.596 2.751 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.347 -2.860 2.888 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.579 -3.634 4.085 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.344 -3.853 4.633 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.413 -3.176 3.756 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.913 -4.180 4.566 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.005 -4.673 5.872 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.173 -6.181 5.659 1.00 10.00 C HETATM 999 NC HEC A 130 -7.647 -1.542 2.283 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.325 -2.295 3.320 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.975 -2.023 3.754 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.559 -0.968 2.993 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.622 -0.737 2.043 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.229 -2.683 4.900 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.320 -0.118 3.208 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.005 -0.846 2.920 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.501 -0.475 -0.046 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.328 0.116 0.040 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.921 0.633 -1.239 1.00 10.00 C HETATM 1010 C3D HEC A 130 -7.947 0.354 -2.094 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.954 -0.319 -1.289 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.516 1.065 -1.619 1.00 10.00 C HETATM 1013 CAD HEC A 130 -7.905 0.601 -3.593 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.417 -0.617 -4.396 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.351 -1.835 -4.283 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.892 -2.864 -3.739 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.524 -1.692 -4.705 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.194 1.873 -0.962 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.835 0.220 -1.516 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.509 1.413 -2.652 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.766 -2.509 5.832 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.157 -3.755 4.718 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.227 -2.259 4.974 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.606 -3.355 4.729 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.322 -4.855 3.814 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.769 -4.723 5.500 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.088 -1.103 -0.245 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.929 -2.828 -0.652 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.794 -2.298 1.041 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.322 -0.337 -5.445 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -6.422 -0.897 -4.049 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.917 -1.712 3.576 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.991 -1.175 1.881 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.168 -0.170 3.097 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.207 -6.398 5.393 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.515 -6.510 4.855 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.916 -6.709 6.577 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.768 -2.612 -2.412 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.523 -2.108 -4.072 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -8.901 0.879 -3.937 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.250 1.448 -3.797 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.600 -0.395 -2.697 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.249 -1.240 -3.426 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.693 0.873 1.086 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.658 -3.829 4.696 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.364 -2.742 2.322 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.358 -0.644 -2.810 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.958 -2.568 -4.768 1.00 10.00 H new HETATM 0 H2A HEC A 130 -13.176 -4.782 -5.014 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.619 -2.006 3.332 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.426 -4.606 4.349 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.298 -2.715 0.171 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.467 0.352 2.373 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.130 -1.075 6.505 1.00 10.00 C HETATM 1055 NA HEC A 153 3.685 -3.334 2.450 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.349 -4.338 3.042 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.072 -5.099 2.047 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.720 -4.570 0.839 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.856 -3.451 1.131 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.068 -5.126 -0.527 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.097 -6.194 2.273 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.509 -7.613 2.242 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.577 -8.694 2.492 1.00 10.00 C HETATM 1064 O1A HEC A 153 7.284 -8.565 3.518 1.00 10.00 O HETATM 1065 O2A HEC A 153 6.687 -9.614 1.653 1.00 10.00 O HETATM 1066 NB HEC A 153 2.000 -1.341 1.649 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.410 -1.755 0.449 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.739 -1.007 -0.593 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.881 -0.153 0.037 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.101 -0.371 1.452 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.924 -1.146 -2.086 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.086 0.829 -0.633 1.00 10.00 C HETATM 1073 CBB HEC A 153 -1.063 0.158 -1.607 1.00 10.00 C HETATM 1074 NC HEC A 153 1.515 -0.644 4.250 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.695 0.216 3.671 1.00 10.00 C HETATM 1076 C2C HEC A 153 0.043 1.057 4.655 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.556 0.667 5.862 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.479 -0.409 5.559 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.987 2.155 4.417 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.260 1.245 7.246 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.079 1.961 7.480 1.00 10.00 C HETATM 1082 ND HEC A 153 3.174 -2.683 5.052 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.857 -2.161 6.242 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.338 -3.014 7.303 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.953 -4.068 6.689 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.871 -3.805 5.268 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.036 -2.906 8.787 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.460 -5.309 7.402 1.00 10.00 C HETATM 1089 CBD HEC A 153 5.739 -5.099 8.239 1.00 10.00 C HETATM 1090 CGD HEC A 153 5.637 -5.780 9.617 1.00 10.00 C HETATM 1091 O1D HEC A 153 6.199 -6.879 9.804 1.00 10.00 O HETATM 1092 O2D HEC A 153 4.898 -5.236 10.473 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.376 -1.939 9.158 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 1.962 -2.999 8.947 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.553 -3.702 9.322 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.556 2.926 3.778 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.866 1.730 3.932 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.277 2.595 5.371 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.962 -0.938 -2.345 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.670 -2.161 -2.391 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.273 -0.439 -2.601 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.152 -5.165 -0.639 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.657 -6.131 -0.626 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.646 -4.483 -1.300 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 6.597 -5.498 7.698 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 5.915 -4.032 8.373 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.159 2.813 6.804 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.900 1.269 7.291 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.130 2.310 8.511 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.503 -0.339 -2.399 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.664 -0.577 -1.071 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.717 0.913 -2.044 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 4.727 -7.696 2.997 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 5.038 -7.788 1.275 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 3.672 -5.682 8.056 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.652 -6.084 6.660 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.872 -6.116 1.511 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.580 -6.033 3.237 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.068 -0.721 7.534 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.270 1.086 2.046 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.572 -2.900 -0.868 1.00 10.00 H new HETATM 0 HHA HEC A 153 4.955 -5.501 4.676 1.00 10.00 H new HETATM 0 H2D HEC A 153 5.394 -5.125 11.311 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.412 -10.217 1.921 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.528 2.610 -7.325 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.117 2.402 -9.673 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.728 3.463 -9.622 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.797 3.056 -4.937 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.404 1.400 -5.071 1.00 10.00 C HETATM 1130 NA HEC A 166 6.436 2.891 -9.229 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.357 2.774 -10.025 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.720 3.095 -11.389 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.052 3.384 -11.365 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.467 3.238 -9.992 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.909 3.809 -12.545 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.863 3.033 -12.637 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.066 1.728 -13.425 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.179 1.609 -14.676 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.702 2.675 -15.141 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.028 0.464 -15.162 1.00 10.00 O HETATM 1141 NB HEC A 166 8.376 3.114 -7.284 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.111 3.405 -8.347 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.467 3.718 -7.957 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.495 3.628 -6.592 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.152 3.241 -6.210 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.602 4.116 -8.885 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.675 3.947 -5.673 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.072 5.427 -5.707 1.00 10.00 C HETATM 1149 NC HEC A 166 6.579 2.335 -5.407 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.594 2.596 -4.603 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.251 2.320 -3.227 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.026 1.711 -3.274 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.605 1.813 -4.659 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.096 2.616 -1.996 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.338 0.885 -2.190 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.674 1.144 -0.717 1.00 10.00 C HETATM 1157 ND HEC A 166 4.639 2.033 -7.372 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.979 1.554 -6.326 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.616 1.252 -6.690 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.505 1.498 -8.031 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.802 2.023 -8.427 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.504 0.843 -5.740 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.249 1.212 -8.854 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.415 0.731 -10.313 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.078 1.765 -11.416 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.819 1.322 -12.552 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.128 2.985 -11.131 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.783 -0.078 -5.228 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.345 1.632 -5.005 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.585 0.681 -6.304 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.044 2.082 -2.068 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.287 3.687 -1.935 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.563 2.291 -1.102 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.782 3.316 -9.603 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.334 5.028 -9.418 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.506 4.289 -8.301 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.892 3.029 -13.306 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.516 4.735 -12.965 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.934 3.968 -12.211 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.446 0.406 -10.451 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.782 -0.145 -10.459 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.737 0.972 -0.551 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 5.429 2.176 -0.464 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 5.095 0.469 -0.087 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.357 5.704 -6.722 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.227 6.038 -5.388 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.914 5.593 -5.036 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.111 1.655 -13.725 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.864 0.883 -12.767 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.668 0.459 -8.321 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.650 2.123 -8.872 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.813 3.126 -12.358 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.099 3.882 -13.279 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.743 0.917 -4.352 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.513 3.288 -4.148 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.468 3.702 -10.386 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.334 2.408 -10.431 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.208 3.510 -11.954 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.295 0.479 -15.813 1.00 10.00 H new