USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 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 98 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 98 HEC HAB : A 98 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAC : A 128 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 128 HEC HAB : A 128 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= 0.6 K(o=-13,f=-31!) USER MOD Set 1.2: A 12 ASN : amide:sc= -6.3! C(o=-13!,f=-18!) USER MOD Set 1.3: A 66 HIS : no HE2:sc= -8.45! C(o=-13!,f=-20!) USER MOD Set 1.4: A 158 HEC O2D : rot -70:sc= 1.04 USER MOD Single : A 1 ALA N :NH3+ -170:sc= -0.241 (180deg=-0.359) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 6 TYR OH : rot 98:sc= -0.931 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.569) USER MOD Single : A 29 CYS SG : rot 80:sc= -25.5! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=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 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.694 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.4) USER MOD Single : A 57 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -45:sc= -26.5! USER MOD Single : A 65 CYS SG : rot -94:sc= -23.7! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot -161:sc= 0.8 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot 170:sc= 0 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.037 -9.756 9.564 1.00 10.00 N ATOM 2 CA ALA A 1 4.108 -8.681 9.260 1.00 10.00 C ATOM 3 C ALA A 1 4.895 -7.418 8.905 1.00 10.00 C ATOM 4 O ALA A 1 4.327 -6.449 8.403 1.00 10.00 O ATOM 5 CB ALA A 1 3.167 -8.467 10.447 1.00 10.00 C ATOM 0 H1 ALA A 1 4.517 -10.653 9.639 1.00 10.00 H new ATOM 0 H2 ALA A 1 5.744 -9.828 8.805 1.00 10.00 H new ATOM 0 H3 ALA A 1 5.516 -9.557 10.466 1.00 10.00 H new ATOM 0 HA ALA A 1 3.492 -8.939 8.399 1.00 10.00 H new ATOM 0 HB1 ALA A 1 2.470 -7.660 10.218 1.00 10.00 H new ATOM 0 HB2 ALA A 1 2.610 -9.384 10.640 1.00 10.00 H new ATOM 0 HB3 ALA A 1 3.749 -8.204 11.330 1.00 10.00 H new ATOM 11 N ASP A 2 6.190 -7.469 9.180 1.00 10.00 N ATOM 12 CA ASP A 2 7.061 -6.341 8.896 1.00 10.00 C ATOM 13 C ASP A 2 7.016 -6.032 7.399 1.00 10.00 C ATOM 14 O ASP A 2 7.494 -4.986 6.962 1.00 10.00 O ATOM 15 CB ASP A 2 8.510 -6.656 9.271 1.00 10.00 C ATOM 16 CG ASP A 2 9.275 -7.497 8.247 1.00 10.00 C ATOM 17 OD1 ASP A 2 8.843 -8.647 8.020 1.00 10.00 O ATOM 18 OD2 ASP A 2 10.275 -6.970 7.713 1.00 10.00 O ATOM 0 H ASP A 2 6.657 -8.274 9.597 1.00 10.00 H new ATOM 0 HA ASP A 2 6.714 -5.491 9.483 1.00 10.00 H new ATOM 0 HB2 ASP A 2 9.044 -5.717 9.419 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.516 -7.180 10.227 1.00 10.00 H new ATOM 23 N VAL A 3 6.438 -6.961 6.652 1.00 10.00 N ATOM 24 CA VAL A 3 6.324 -6.802 5.212 1.00 10.00 C ATOM 25 C VAL A 3 5.307 -7.807 4.670 1.00 10.00 C ATOM 26 O VAL A 3 5.237 -8.940 5.142 1.00 10.00 O ATOM 27 CB VAL A 3 7.703 -6.936 4.561 1.00 10.00 C ATOM 28 CG1 VAL A 3 7.583 -7.469 3.131 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.454 -5.604 4.589 1.00 10.00 C ATOM 0 H VAL A 3 6.043 -7.828 7.017 1.00 10.00 H new ATOM 0 HA VAL A 3 5.957 -5.805 4.966 1.00 10.00 H new ATOM 0 HB VAL A 3 8.280 -7.657 5.141 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.576 -7.555 2.690 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.107 -8.449 3.147 1.00 10.00 H new ATOM 0 HG13 VAL A 3 6.980 -6.783 2.536 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.430 -5.727 4.120 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.882 -4.852 4.045 1.00 10.00 H new ATOM 0 HG23 VAL A 3 8.585 -5.282 5.622 1.00 10.00 H new ATOM 39 N VAL A 4 4.541 -7.354 3.688 1.00 10.00 N ATOM 40 CA VAL A 4 3.530 -8.200 3.076 1.00 10.00 C ATOM 41 C VAL A 4 3.668 -8.134 1.554 1.00 10.00 C ATOM 42 O VAL A 4 2.818 -7.559 0.875 1.00 10.00 O ATOM 43 CB VAL A 4 2.141 -7.794 3.569 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.049 -8.590 2.852 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.028 -7.953 5.087 1.00 10.00 C ATOM 0 H VAL A 4 4.600 -6.412 3.301 1.00 10.00 H new ATOM 0 HA VAL A 4 3.673 -9.240 3.370 1.00 10.00 H new ATOM 0 HB VAL A 4 1.998 -6.740 3.331 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.071 -8.281 3.222 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.107 -8.403 1.780 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.190 -9.654 3.043 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.030 -7.657 5.411 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.204 -8.994 5.358 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.770 -7.321 5.575 1.00 10.00 H new ATOM 55 N THR A 5 4.745 -8.728 1.063 1.00 10.00 N ATOM 56 CA THR A 5 5.005 -8.745 -0.367 1.00 10.00 C ATOM 57 C THR A 5 4.081 -9.744 -1.066 1.00 10.00 C ATOM 58 O THR A 5 4.397 -10.930 -1.152 1.00 10.00 O ATOM 59 CB THR A 5 6.491 -9.042 -0.574 1.00 10.00 C ATOM 60 OG1 THR A 5 7.131 -7.789 -0.345 1.00 10.00 O ATOM 61 CG2 THR A 5 6.825 -9.369 -2.031 1.00 10.00 C ATOM 0 H THR A 5 5.448 -9.202 1.630 1.00 10.00 H new ATOM 0 HA THR A 5 4.787 -7.778 -0.820 1.00 10.00 H new ATOM 0 HB THR A 5 6.786 -9.876 0.063 1.00 10.00 H new ATOM 0 HG1 THR A 5 8.099 -7.891 -0.457 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.892 -9.572 -2.123 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.260 -10.247 -2.346 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.561 -8.522 -2.664 1.00 10.00 H new ATOM 69 N TYR A 6 2.960 -9.228 -1.548 1.00 10.00 N ATOM 70 CA TYR A 6 1.989 -10.061 -2.237 1.00 10.00 C ATOM 71 C TYR A 6 2.565 -10.609 -3.544 1.00 10.00 C ATOM 72 O TYR A 6 2.948 -9.842 -4.427 1.00 10.00 O ATOM 73 CB TYR A 6 0.804 -9.149 -2.559 1.00 10.00 C ATOM 74 CG TYR A 6 -0.202 -9.008 -1.415 1.00 10.00 C ATOM 75 CD1 TYR A 6 -1.099 -10.024 -1.156 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.212 -7.865 -0.642 1.00 10.00 C ATOM 77 CE1 TYR A 6 -2.046 -9.892 -0.079 1.00 10.00 C ATOM 78 CE2 TYR A 6 -1.158 -7.733 0.436 1.00 10.00 C ATOM 79 CZ TYR A 6 -2.029 -8.752 0.664 1.00 10.00 C ATOM 80 OH TYR A 6 -2.923 -8.627 1.681 1.00 10.00 O ATOM 0 H TYR A 6 2.702 -8.244 -1.475 1.00 10.00 H new ATOM 0 HA TYR A 6 1.706 -10.912 -1.617 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.181 -8.160 -2.822 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.288 -9.537 -3.437 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -1.091 -10.919 -1.761 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.490 -7.069 -0.845 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -2.753 -10.680 0.134 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.175 -6.844 1.050 1.00 10.00 H new ATOM 0 HH TYR A 6 -2.491 -8.867 2.527 1.00 10.00 H new ATOM 90 N GLU A 7 2.609 -11.930 -3.626 1.00 10.00 N ATOM 91 CA GLU A 7 3.132 -12.590 -4.811 1.00 10.00 C ATOM 92 C GLU A 7 1.984 -13.066 -5.704 1.00 10.00 C ATOM 93 O GLU A 7 1.221 -13.950 -5.320 1.00 10.00 O ATOM 94 CB GLU A 7 4.051 -13.752 -4.431 1.00 10.00 C ATOM 95 CG GLU A 7 5.236 -13.265 -3.594 1.00 10.00 C ATOM 96 CD GLU A 7 6.550 -13.857 -4.108 1.00 10.00 C ATOM 97 OE1 GLU A 7 6.860 -13.608 -5.292 1.00 10.00 O ATOM 98 OE2 GLU A 7 7.215 -14.545 -3.304 1.00 10.00 O ATOM 0 H GLU A 7 2.291 -12.562 -2.891 1.00 10.00 H new ATOM 0 HA GLU A 7 3.727 -11.869 -5.372 1.00 10.00 H new ATOM 0 HB2 GLU A 7 3.487 -14.497 -3.870 1.00 10.00 H new ATOM 0 HB3 GLU A 7 4.416 -14.242 -5.334 1.00 10.00 H new ATOM 0 HG2 GLU A 7 5.286 -12.177 -3.626 1.00 10.00 H new ATOM 0 HG3 GLU A 7 5.089 -13.546 -2.551 1.00 10.00 H new ATOM 105 N ASN A 8 1.900 -12.459 -6.878 1.00 10.00 N ATOM 106 CA ASN A 8 0.858 -12.810 -7.829 1.00 10.00 C ATOM 107 C ASN A 8 1.499 -13.166 -9.172 1.00 10.00 C ATOM 108 O ASN A 8 2.723 -13.211 -9.288 1.00 10.00 O ATOM 109 CB ASN A 8 -0.098 -11.638 -8.057 1.00 10.00 C ATOM 110 CG ASN A 8 0.675 -10.345 -8.327 1.00 10.00 C ATOM 111 OD1 ASN A 8 1.391 -10.211 -9.304 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.490 -9.403 -7.405 1.00 10.00 N ATOM 0 H ASN A 8 2.536 -11.726 -7.193 1.00 10.00 H new ATOM 0 HA ASN A 8 0.301 -13.655 -7.423 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -0.753 -11.857 -8.900 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.736 -11.509 -7.183 1.00 10.00 H new ATOM 0 HD21 ASN A 8 0.962 -8.503 -7.493 1.00 10.00 H new ATOM 0 HD22 ASN A 8 -0.124 -9.581 -6.610 1.00 10.00 H new ATOM 119 N LYS A 9 0.642 -13.410 -10.154 1.00 10.00 N ATOM 120 CA LYS A 9 1.110 -13.761 -11.484 1.00 10.00 C ATOM 121 C LYS A 9 1.015 -12.534 -12.393 1.00 10.00 C ATOM 122 O LYS A 9 0.661 -12.651 -13.565 1.00 10.00 O ATOM 123 CB LYS A 9 0.351 -14.979 -12.014 1.00 10.00 C ATOM 124 CG LYS A 9 1.087 -16.275 -11.672 1.00 10.00 C ATOM 125 CD LYS A 9 0.492 -16.932 -10.425 1.00 10.00 C ATOM 126 CE LYS A 9 0.981 -18.373 -10.277 1.00 10.00 C ATOM 127 NZ LYS A 9 0.216 -19.074 -9.221 1.00 10.00 N ATOM 0 H LYS A 9 -0.372 -13.371 -10.055 1.00 10.00 H new ATOM 0 HA LYS A 9 2.159 -14.056 -11.454 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -0.651 -15.002 -11.586 1.00 10.00 H new ATOM 0 HB3 LYS A 9 0.234 -14.897 -13.095 1.00 10.00 H new ATOM 0 HG2 LYS A 9 1.027 -16.964 -12.514 1.00 10.00 H new ATOM 0 HG3 LYS A 9 2.144 -16.064 -11.507 1.00 10.00 H new ATOM 0 HD2 LYS A 9 0.768 -16.358 -9.541 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -0.596 -16.918 -10.487 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.871 -18.900 -11.225 1.00 10.00 H new ATOM 0 HE3 LYS A 9 2.043 -18.380 -10.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.561 -20.051 -9.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 0.342 -18.580 -8.315 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -0.793 -19.084 -9.472 1.00 10.00 H new ATOM 141 N LYS A 10 1.335 -11.384 -11.817 1.00 10.00 N ATOM 142 CA LYS A 10 1.291 -10.137 -12.560 1.00 10.00 C ATOM 143 C LYS A 10 2.610 -9.385 -12.368 1.00 10.00 C ATOM 144 O LYS A 10 3.360 -9.186 -13.323 1.00 10.00 O ATOM 145 CB LYS A 10 0.057 -9.323 -12.166 1.00 10.00 C ATOM 146 CG LYS A 10 -0.682 -8.812 -13.406 1.00 10.00 C ATOM 147 CD LYS A 10 -1.488 -9.934 -14.065 1.00 10.00 C ATOM 148 CE LYS A 10 -0.940 -10.260 -15.455 1.00 10.00 C ATOM 149 NZ LYS A 10 -1.593 -9.415 -16.480 1.00 10.00 N ATOM 0 H LYS A 10 1.626 -11.290 -10.844 1.00 10.00 H new ATOM 0 HA LYS A 10 1.189 -10.334 -13.627 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.613 -9.939 -11.567 1.00 10.00 H new ATOM 0 HB3 LYS A 10 0.357 -8.480 -11.544 1.00 10.00 H new ATOM 0 HG2 LYS A 10 -1.349 -7.996 -13.126 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.035 -8.407 -14.120 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -1.455 -10.826 -13.439 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -2.534 -9.638 -14.143 1.00 10.00 H new ATOM 0 HE2 LYS A 10 0.138 -10.099 -15.475 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -1.109 -11.313 -15.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -1.210 -9.649 -17.418 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -2.618 -9.589 -16.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -1.410 -8.413 -16.271 1.00 10.00 H new ATOM 163 N GLY A 11 2.853 -8.989 -11.127 1.00 10.00 N ATOM 164 CA GLY A 11 4.068 -8.265 -10.798 1.00 10.00 C ATOM 165 C GLY A 11 4.464 -8.494 -9.337 1.00 10.00 C ATOM 166 O GLY A 11 5.634 -8.725 -9.037 1.00 10.00 O ATOM 0 H GLY A 11 2.229 -9.156 -10.338 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.877 -8.589 -11.453 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.920 -7.200 -10.976 1.00 10.00 H new ATOM 170 N ASN A 12 3.467 -8.421 -8.469 1.00 10.00 N ATOM 171 CA ASN A 12 3.696 -8.618 -7.047 1.00 10.00 C ATOM 172 C ASN A 12 4.199 -7.311 -6.431 1.00 10.00 C ATOM 173 O ASN A 12 5.233 -6.786 -6.838 1.00 10.00 O ATOM 174 CB ASN A 12 4.756 -9.693 -6.804 1.00 10.00 C ATOM 175 CG ASN A 12 4.607 -10.846 -7.800 1.00 10.00 C ATOM 176 OD1 ASN A 12 3.686 -10.895 -8.597 1.00 10.00 O ATOM 177 ND2 ASN A 12 5.563 -11.766 -7.708 1.00 10.00 N ATOM 0 H ASN A 12 2.498 -8.228 -8.722 1.00 10.00 H new ATOM 0 HA ASN A 12 2.755 -8.930 -6.594 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.750 -9.255 -6.895 1.00 10.00 H new ATOM 0 HB3 ASN A 12 4.667 -10.073 -5.786 1.00 10.00 H new ATOM 0 HD21 ASN A 12 5.553 -12.575 -8.329 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.306 -11.662 -7.017 1.00 10.00 H new ATOM 184 N VAL A 13 3.440 -6.822 -5.460 1.00 10.00 N ATOM 185 CA VAL A 13 3.796 -5.587 -4.783 1.00 10.00 C ATOM 186 C VAL A 13 4.655 -5.909 -3.558 1.00 10.00 C ATOM 187 O VAL A 13 4.353 -6.839 -2.812 1.00 10.00 O ATOM 188 CB VAL A 13 2.531 -4.799 -4.435 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.614 -4.670 -5.652 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.794 -5.438 -3.257 1.00 10.00 C ATOM 0 H VAL A 13 2.581 -7.259 -5.127 1.00 10.00 H new ATOM 0 HA VAL A 13 4.391 -4.951 -5.438 1.00 10.00 H new ATOM 0 HB VAL A 13 2.833 -3.795 -4.136 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.723 -4.106 -5.378 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.141 -4.149 -6.451 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.324 -5.663 -5.996 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.899 -4.859 -3.030 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.510 -6.458 -3.516 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.447 -5.453 -2.384 1.00 10.00 H new ATOM 200 N THR A 14 5.709 -5.124 -3.391 1.00 10.00 N ATOM 201 CA THR A 14 6.614 -5.314 -2.270 1.00 10.00 C ATOM 202 C THR A 14 6.185 -4.447 -1.085 1.00 10.00 C ATOM 203 O THR A 14 6.997 -3.713 -0.523 1.00 10.00 O ATOM 204 CB THR A 14 8.035 -5.022 -2.756 1.00 10.00 C ATOM 205 OG1 THR A 14 8.361 -6.144 -3.571 1.00 10.00 O ATOM 206 CG2 THR A 14 9.062 -5.074 -1.622 1.00 10.00 C ATOM 0 H THR A 14 5.957 -4.355 -4.013 1.00 10.00 H new ATOM 0 HA THR A 14 6.584 -6.341 -1.906 1.00 10.00 H new ATOM 0 HB THR A 14 8.063 -4.040 -3.228 1.00 10.00 H new ATOM 0 HG1 THR A 14 9.267 -6.036 -3.929 1.00 10.00 H new ATOM 0 HG21 THR A 14 10.054 -4.860 -2.019 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.806 -4.332 -0.865 1.00 10.00 H new ATOM 0 HG23 THR A 14 9.058 -6.067 -1.173 1.00 10.00 H new ATOM 214 N PHE A 15 4.911 -4.559 -0.741 1.00 10.00 N ATOM 215 CA PHE A 15 4.365 -3.792 0.366 1.00 10.00 C ATOM 216 C PHE A 15 5.330 -3.780 1.553 1.00 10.00 C ATOM 217 O PHE A 15 6.285 -4.555 1.589 1.00 10.00 O ATOM 218 CB PHE A 15 3.066 -4.481 0.789 1.00 10.00 C ATOM 219 CG PHE A 15 2.221 -3.668 1.773 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.527 -2.583 1.337 1.00 10.00 C ATOM 221 CD2 PHE A 15 2.165 -4.031 3.082 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.744 -1.827 2.250 1.00 10.00 C ATOM 223 CE2 PHE A 15 1.381 -3.277 3.995 1.00 10.00 C ATOM 224 CZ PHE A 15 0.687 -2.191 3.559 1.00 10.00 C ATOM 0 H PHE A 15 4.241 -5.169 -1.209 1.00 10.00 H new ATOM 0 HA PHE A 15 4.197 -2.760 0.057 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.471 -4.688 -0.100 1.00 10.00 H new ATOM 0 HB3 PHE A 15 3.308 -5.443 1.242 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.571 -2.296 0.297 1.00 10.00 H new ATOM 0 HD2 PHE A 15 2.717 -4.893 3.427 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.194 -0.964 1.905 1.00 10.00 H new ATOM 0 HE2 PHE A 15 1.336 -3.565 5.035 1.00 10.00 H new ATOM 0 HZ PHE A 15 0.090 -1.618 4.253 1.00 10.00 H new ATOM 234 N ASP A 16 5.048 -2.892 2.495 1.00 10.00 N ATOM 235 CA ASP A 16 5.881 -2.768 3.680 1.00 10.00 C ATOM 236 C ASP A 16 5.019 -2.307 4.856 1.00 10.00 C ATOM 237 O ASP A 16 4.279 -1.330 4.745 1.00 10.00 O ATOM 238 CB ASP A 16 6.987 -1.734 3.470 1.00 10.00 C ATOM 239 CG ASP A 16 8.300 -2.293 2.918 1.00 10.00 C ATOM 240 OD1 ASP A 16 8.801 -3.264 3.522 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.773 -1.736 1.903 1.00 10.00 O ATOM 0 H ASP A 16 4.255 -2.252 2.462 1.00 10.00 H new ATOM 0 HA ASP A 16 6.331 -3.740 3.880 1.00 10.00 H new ATOM 0 HB2 ASP A 16 6.621 -0.967 2.788 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.190 -1.243 4.422 1.00 10.00 H new ATOM 246 N HIS A 17 5.142 -3.031 5.959 1.00 10.00 N ATOM 247 CA HIS A 17 4.384 -2.709 7.156 1.00 10.00 C ATOM 248 C HIS A 17 5.288 -1.986 8.156 1.00 10.00 C ATOM 249 O HIS A 17 4.895 -0.972 8.733 1.00 10.00 O ATOM 250 CB HIS A 17 3.736 -3.964 7.743 1.00 10.00 C ATOM 251 CG HIS A 17 2.261 -3.814 8.034 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.284 -4.490 7.325 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.610 -3.059 8.966 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.101 -4.150 7.816 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.304 -3.263 8.831 1.00 10.00 N ATOM 0 H HIS A 17 5.756 -3.840 6.049 1.00 10.00 H new ATOM 0 HA HIS A 17 3.567 -2.034 6.903 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.877 -4.792 7.048 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.253 -4.230 8.665 1.00 10.00 H new ATOM 0 HD1 HIS A 17 1.447 -5.139 6.555 1.00 10.00 H new ATOM 0 HD2 HIS A 17 2.077 -2.407 9.690 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.857 -4.512 7.472 1.00 10.00 H new ATOM 263 N LYS A 18 6.481 -2.535 8.333 1.00 10.00 N ATOM 264 CA LYS A 18 7.442 -1.954 9.254 1.00 10.00 C ATOM 265 C LYS A 18 8.247 -0.873 8.530 1.00 10.00 C ATOM 266 O LYS A 18 8.651 0.117 9.139 1.00 10.00 O ATOM 267 CB LYS A 18 8.309 -3.047 9.882 1.00 10.00 C ATOM 268 CG LYS A 18 8.223 -3.005 11.410 1.00 10.00 C ATOM 269 CD LYS A 18 9.428 -2.275 12.006 1.00 10.00 C ATOM 270 CE LYS A 18 9.068 -0.836 12.378 1.00 10.00 C ATOM 271 NZ LYS A 18 8.711 -0.744 13.811 1.00 10.00 N ATOM 0 H LYS A 18 6.803 -3.376 7.854 1.00 10.00 H new ATOM 0 HA LYS A 18 6.929 -1.468 10.084 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.986 -4.024 9.523 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.345 -2.919 9.569 1.00 10.00 H new ATOM 0 HG2 LYS A 18 7.303 -2.504 11.713 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.177 -4.020 11.803 1.00 10.00 H new ATOM 0 HD2 LYS A 18 9.778 -2.806 12.891 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.249 -2.275 11.289 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.910 -0.178 12.164 1.00 10.00 H new ATOM 0 HE3 LYS A 18 8.233 -0.494 11.767 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 8.469 0.240 14.046 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 7.894 -1.357 14.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 9.519 -1.050 14.390 1.00 10.00 H new ATOM 285 N ALA A 19 8.454 -1.098 7.241 1.00 10.00 N ATOM 286 CA ALA A 19 9.204 -0.154 6.428 1.00 10.00 C ATOM 287 C ALA A 19 8.379 1.122 6.247 1.00 10.00 C ATOM 288 O ALA A 19 8.934 2.218 6.169 1.00 10.00 O ATOM 289 CB ALA A 19 9.568 -0.807 5.093 1.00 10.00 C ATOM 0 H ALA A 19 8.116 -1.919 6.739 1.00 10.00 H new ATOM 0 HA ALA A 19 10.136 0.122 6.921 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.130 -0.100 4.483 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.176 -1.693 5.275 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.657 -1.094 4.568 1.00 10.00 H new ATOM 295 N HIS A 20 7.069 0.939 6.185 1.00 10.00 N ATOM 296 CA HIS A 20 6.163 2.063 6.014 1.00 10.00 C ATOM 297 C HIS A 20 5.846 2.679 7.378 1.00 10.00 C ATOM 298 O HIS A 20 6.080 3.867 7.596 1.00 10.00 O ATOM 299 CB HIS A 20 4.908 1.637 5.250 1.00 10.00 C ATOM 300 CG HIS A 20 5.092 1.572 3.753 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.303 1.259 3.160 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.207 1.781 2.736 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.142 1.284 1.845 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.843 1.607 1.584 1.00 10.00 N ATOM 0 H HIS A 20 6.612 0.029 6.250 1.00 10.00 H new ATOM 0 HA HIS A 20 6.643 2.833 5.409 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.591 0.658 5.610 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.103 2.336 5.477 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.171 1.046 3.651 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.166 2.044 2.849 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.906 1.084 1.108 1.00 10.00 H new ATOM 312 N ALA A 21 5.321 1.843 8.262 1.00 10.00 N ATOM 313 CA ALA A 21 4.970 2.291 9.599 1.00 10.00 C ATOM 314 C ALA A 21 6.050 3.246 10.112 1.00 10.00 C ATOM 315 O ALA A 21 5.765 4.403 10.417 1.00 10.00 O ATOM 316 CB ALA A 21 4.785 1.077 10.512 1.00 10.00 C ATOM 0 H ALA A 21 5.130 0.858 8.078 1.00 10.00 H new ATOM 0 HA ALA A 21 4.026 2.836 9.586 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.522 1.413 11.515 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.988 0.445 10.120 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.713 0.507 10.552 1.00 10.00 H new ATOM 322 N GLU A 22 7.266 2.727 10.190 1.00 10.00 N ATOM 323 CA GLU A 22 8.389 3.519 10.660 1.00 10.00 C ATOM 324 C GLU A 22 8.220 4.981 10.241 1.00 10.00 C ATOM 325 O GLU A 22 8.532 5.891 11.008 1.00 10.00 O ATOM 326 CB GLU A 22 9.715 2.952 10.147 1.00 10.00 C ATOM 327 CG GLU A 22 9.675 2.754 8.630 1.00 10.00 C ATOM 328 CD GLU A 22 10.917 2.006 8.142 1.00 10.00 C ATOM 329 OE1 GLU A 22 11.437 1.192 8.936 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.319 2.265 6.987 1.00 10.00 O ATOM 0 H GLU A 22 7.498 1.767 9.935 1.00 10.00 H new ATOM 0 HA GLU A 22 8.409 3.473 11.749 1.00 10.00 H new ATOM 0 HB2 GLU A 22 10.529 3.628 10.408 1.00 10.00 H new ATOM 0 HB3 GLU A 22 9.922 2.000 10.636 1.00 10.00 H new ATOM 0 HG2 GLU A 22 8.779 2.197 8.356 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.612 3.723 8.135 1.00 10.00 H new ATOM 337 N LYS A 23 7.727 5.161 9.025 1.00 10.00 N ATOM 338 CA LYS A 23 7.511 6.497 8.494 1.00 10.00 C ATOM 339 C LYS A 23 6.051 6.898 8.710 1.00 10.00 C ATOM 340 O LYS A 23 5.764 7.841 9.445 1.00 10.00 O ATOM 341 CB LYS A 23 7.962 6.572 7.034 1.00 10.00 C ATOM 342 CG LYS A 23 9.403 7.074 6.930 1.00 10.00 C ATOM 343 CD LYS A 23 9.448 8.511 6.406 1.00 10.00 C ATOM 344 CE LYS A 23 9.947 9.473 7.485 1.00 10.00 C ATOM 345 NZ LYS A 23 8.826 9.917 8.344 1.00 10.00 N ATOM 0 H LYS A 23 7.471 4.404 8.391 1.00 10.00 H new ATOM 0 HA LYS A 23 8.122 7.224 9.029 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.882 5.587 6.574 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.301 7.237 6.479 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.880 7.025 7.909 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.971 6.423 6.266 1.00 10.00 H new ATOM 0 HD2 LYS A 23 10.102 8.564 5.536 1.00 10.00 H new ATOM 0 HD3 LYS A 23 8.454 8.813 6.076 1.00 10.00 H new ATOM 0 HE2 LYS A 23 10.707 8.983 8.094 1.00 10.00 H new ATOM 0 HE3 LYS A 23 10.420 10.337 7.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 8.712 10.947 8.261 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.949 9.447 8.041 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 9.028 9.669 9.334 1.00 10.00 H new ATOM 359 N LEU A 24 5.166 6.161 8.054 1.00 10.00 N ATOM 360 CA LEU A 24 3.742 6.427 8.164 1.00 10.00 C ATOM 361 C LEU A 24 3.381 6.645 9.634 1.00 10.00 C ATOM 362 O LEU A 24 3.236 7.783 10.081 1.00 10.00 O ATOM 363 CB LEU A 24 2.935 5.315 7.491 1.00 10.00 C ATOM 364 CG LEU A 24 2.938 5.316 5.962 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.343 5.052 5.416 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.914 4.323 5.410 1.00 10.00 C ATOM 0 H LEU A 24 5.408 5.380 7.444 1.00 10.00 H new ATOM 0 HA LEU A 24 3.483 7.343 7.632 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.320 4.355 7.835 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.902 5.385 7.833 1.00 10.00 H new ATOM 0 HG LEU A 24 2.641 6.308 5.622 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.317 5.058 4.326 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.022 5.829 5.767 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.692 4.080 5.765 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.937 4.344 4.320 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.156 3.319 5.759 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.918 4.597 5.757 1.00 10.00 H new ATOM 378 N GLY A 25 3.244 5.538 10.348 1.00 10.00 N ATOM 379 CA GLY A 25 2.903 5.593 11.760 1.00 10.00 C ATOM 380 C GLY A 25 1.600 4.841 12.038 1.00 10.00 C ATOM 381 O GLY A 25 1.001 5.002 13.101 1.00 10.00 O ATOM 0 H GLY A 25 3.363 4.596 9.975 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.710 5.160 12.350 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.802 6.632 12.073 1.00 10.00 H new ATOM 385 N CYS A 26 1.198 4.037 11.064 1.00 10.00 N ATOM 386 CA CYS A 26 -0.024 3.260 11.192 1.00 10.00 C ATOM 387 C CYS A 26 -1.212 4.193 10.954 1.00 10.00 C ATOM 388 O CYS A 26 -1.965 4.014 9.998 1.00 10.00 O ATOM 389 CB CYS A 26 -0.110 2.560 12.549 1.00 10.00 C ATOM 390 SG CYS A 26 1.505 2.168 13.314 1.00 10.00 S ATOM 0 H CYS A 26 1.696 3.907 10.184 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.033 2.465 10.447 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.676 3.192 13.233 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.674 1.635 12.430 1.00 10.00 H new ATOM 395 N ASP A 27 -1.345 5.169 11.840 1.00 10.00 N ATOM 396 CA ASP A 27 -2.431 6.130 11.740 1.00 10.00 C ATOM 397 C ASP A 27 -2.565 6.589 10.286 1.00 10.00 C ATOM 398 O ASP A 27 -3.642 7.001 9.859 1.00 10.00 O ATOM 399 CB ASP A 27 -2.156 7.363 12.602 1.00 10.00 C ATOM 400 CG ASP A 27 -3.264 8.419 12.592 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.393 8.059 12.989 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.956 9.561 12.190 1.00 10.00 O ATOM 0 H ASP A 27 -0.718 5.315 12.631 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.344 5.646 12.086 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.992 7.040 13.630 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -1.230 7.826 12.262 1.00 10.00 H new ATOM 407 N ALA A 28 -1.455 6.504 9.567 1.00 10.00 N ATOM 408 CA ALA A 28 -1.436 6.905 8.171 1.00 10.00 C ATOM 409 C ALA A 28 -2.456 6.073 7.391 1.00 10.00 C ATOM 410 O ALA A 28 -3.195 6.606 6.564 1.00 10.00 O ATOM 411 CB ALA A 28 -0.017 6.757 7.616 1.00 10.00 C ATOM 0 H ALA A 28 -0.563 6.163 9.925 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.719 7.953 8.070 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.003 7.058 6.568 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.664 7.390 8.185 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.300 5.717 7.699 1.00 10.00 H new ATOM 417 N CYS A 29 -2.464 4.781 7.682 1.00 10.00 N ATOM 418 CA CYS A 29 -3.381 3.871 7.018 1.00 10.00 C ATOM 419 C CYS A 29 -4.531 3.561 7.979 1.00 10.00 C ATOM 420 O CYS A 29 -5.699 3.665 7.610 1.00 10.00 O ATOM 421 CB CYS A 29 -2.673 2.598 6.546 1.00 10.00 C ATOM 422 SG CYS A 29 -1.149 2.885 5.575 1.00 10.00 S ATOM 0 H CYS A 29 -1.850 4.343 8.369 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.777 4.343 6.119 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.423 1.993 7.418 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.368 2.015 5.942 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.164 3.150 6.381 1.00 10.00 H new ATOM 427 N HIS A 30 -4.158 3.185 9.195 1.00 10.00 N ATOM 428 CA HIS A 30 -5.143 2.860 10.212 1.00 10.00 C ATOM 429 C HIS A 30 -5.325 4.053 11.151 1.00 10.00 C ATOM 430 O HIS A 30 -5.142 5.200 10.746 1.00 10.00 O ATOM 431 CB HIS A 30 -4.757 1.576 10.951 1.00 10.00 C ATOM 432 CG HIS A 30 -4.251 0.477 10.048 1.00 10.00 C ATOM 433 ND1 HIS A 30 -5.081 -0.249 9.211 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.992 -0.013 9.860 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.344 -1.132 8.555 1.00 10.00 C ATOM 436 NE2 HIS A 30 -3.050 -0.985 8.959 1.00 10.00 N ATOM 0 H HIS A 30 -3.188 3.099 9.498 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.106 2.664 9.741 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.988 1.810 11.688 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.624 1.210 11.501 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -6.089 -0.125 9.116 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.099 0.332 10.360 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.705 -1.844 7.827 1.00 10.00 H new ATOM 444 N GLU A 31 -5.681 3.742 12.389 1.00 10.00 N ATOM 445 CA GLU A 31 -5.891 4.775 13.389 1.00 10.00 C ATOM 446 C GLU A 31 -5.711 4.197 14.794 1.00 10.00 C ATOM 447 O GLU A 31 -4.843 3.354 15.017 1.00 10.00 O ATOM 448 CB GLU A 31 -7.269 5.419 13.234 1.00 10.00 C ATOM 449 CG GLU A 31 -8.380 4.431 13.595 1.00 10.00 C ATOM 450 CD GLU A 31 -9.486 4.438 12.538 1.00 10.00 C ATOM 451 OE1 GLU A 31 -9.234 3.880 11.449 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.559 5.003 12.843 1.00 10.00 O ATOM 0 H GLU A 31 -5.829 2.789 12.722 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.144 5.555 13.239 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -7.337 6.298 13.874 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -7.401 5.761 12.208 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -7.964 3.427 13.684 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -8.800 4.690 14.567 1.00 10.00 H new ATOM 459 N GLY A 32 -6.546 4.673 15.707 1.00 10.00 N ATOM 460 CA GLY A 32 -6.490 4.214 17.084 1.00 10.00 C ATOM 461 C GLY A 32 -6.607 2.690 17.159 1.00 10.00 C ATOM 462 O GLY A 32 -6.083 2.068 18.082 1.00 10.00 O ATOM 0 H GLY A 32 -7.265 5.372 15.519 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -5.553 4.533 17.540 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -7.296 4.673 17.657 1.00 10.00 H new ATOM 466 N THR A 33 -7.299 2.132 16.176 1.00 10.00 N ATOM 467 CA THR A 33 -7.492 0.694 16.120 1.00 10.00 C ATOM 468 C THR A 33 -7.451 0.207 14.669 1.00 10.00 C ATOM 469 O THR A 33 -8.391 0.434 13.908 1.00 10.00 O ATOM 470 CB THR A 33 -8.804 0.364 16.835 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.498 0.537 18.216 1.00 10.00 O ATOM 472 CG2 THR A 33 -9.178 -1.116 16.720 1.00 10.00 C ATOM 0 H THR A 33 -7.733 2.651 15.412 1.00 10.00 H new ATOM 0 HA THR A 33 -6.686 0.167 16.630 1.00 10.00 H new ATOM 0 HB THR A 33 -9.607 0.975 16.421 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.294 0.345 18.754 1.00 10.00 H new ATOM 0 HG21 THR A 33 -10.116 -1.296 17.244 1.00 10.00 H new ATOM 0 HG22 THR A 33 -9.293 -1.382 15.669 1.00 10.00 H new ATOM 0 HG23 THR A 33 -8.391 -1.726 17.165 1.00 10.00 H new ATOM 480 N PRO A 34 -6.325 -0.471 14.322 1.00 10.00 N ATOM 481 CA PRO A 34 -6.151 -0.992 12.977 1.00 10.00 C ATOM 482 C PRO A 34 -7.010 -2.238 12.755 1.00 10.00 C ATOM 483 O PRO A 34 -7.824 -2.594 13.605 1.00 10.00 O ATOM 484 CB PRO A 34 -4.661 -1.268 12.852 1.00 10.00 C ATOM 485 CG PRO A 34 -4.129 -1.332 14.274 1.00 10.00 C ATOM 486 CD PRO A 34 -5.192 -0.759 15.197 1.00 10.00 C ATOM 0 HA PRO A 34 -6.479 -0.291 12.209 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.480 -2.205 12.325 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.164 -0.481 12.284 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.899 -2.361 14.549 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.202 -0.764 14.361 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.464 -1.470 15.977 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.838 0.143 15.697 1.00 10.00 H new ATOM 494 N ALA A 35 -6.800 -2.866 11.607 1.00 10.00 N ATOM 495 CA ALA A 35 -7.546 -4.065 11.263 1.00 10.00 C ATOM 496 C ALA A 35 -7.350 -4.372 9.777 1.00 10.00 C ATOM 497 O ALA A 35 -6.861 -3.531 9.024 1.00 10.00 O ATOM 498 CB ALA A 35 -9.019 -3.872 11.629 1.00 10.00 C ATOM 0 H ALA A 35 -6.124 -2.567 10.904 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.179 -4.922 11.828 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.579 -4.771 11.371 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.106 -3.685 12.699 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.423 -3.023 11.078 1.00 10.00 H new ATOM 504 N LYS A 36 -7.743 -5.579 9.398 1.00 10.00 N ATOM 505 CA LYS A 36 -7.617 -6.009 8.016 1.00 10.00 C ATOM 506 C LYS A 36 -8.531 -5.154 7.136 1.00 10.00 C ATOM 507 O LYS A 36 -9.754 -5.267 7.212 1.00 10.00 O ATOM 508 CB LYS A 36 -7.877 -7.512 7.896 1.00 10.00 C ATOM 509 CG LYS A 36 -9.375 -7.802 7.787 1.00 10.00 C ATOM 510 CD LYS A 36 -9.843 -7.732 6.331 1.00 10.00 C ATOM 511 CE LYS A 36 -9.702 -9.092 5.645 1.00 10.00 C ATOM 512 NZ LYS A 36 -10.850 -9.964 5.980 1.00 10.00 N ATOM 0 H LYS A 36 -8.149 -6.274 10.025 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.598 -5.857 7.661 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.362 -7.905 7.019 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -7.466 -8.026 8.764 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -9.588 -8.790 8.194 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.933 -7.083 8.387 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.883 -7.408 6.295 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.258 -6.986 5.792 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.644 -8.957 4.565 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -8.773 -9.569 5.957 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.738 -10.883 5.506 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.888 -10.108 7.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.732 -9.515 5.660 1.00 10.00 H new ATOM 526 N ILE A 37 -7.903 -4.319 6.322 1.00 10.00 N ATOM 527 CA ILE A 37 -8.645 -3.445 5.428 1.00 10.00 C ATOM 528 C ILE A 37 -9.034 -4.223 4.169 1.00 10.00 C ATOM 529 O ILE A 37 -9.840 -3.751 3.368 1.00 10.00 O ATOM 530 CB ILE A 37 -7.849 -2.170 5.143 1.00 10.00 C ATOM 531 CG1 ILE A 37 -7.526 -1.423 6.438 1.00 10.00 C ATOM 532 CG2 ILE A 37 -8.582 -1.281 4.136 1.00 10.00 C ATOM 533 CD1 ILE A 37 -6.426 -0.383 6.212 1.00 10.00 C ATOM 0 H ILE A 37 -6.889 -4.229 6.262 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.571 -3.115 5.898 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.899 -2.454 4.691 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.424 -0.932 6.812 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -7.209 -2.133 7.202 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -7.995 -0.381 3.950 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -8.717 -1.825 3.201 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -9.556 -1.003 4.538 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -6.216 0.134 7.148 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -5.522 -0.880 5.861 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.756 0.339 5.465 1.00 10.00 H new ATOM 545 N ALA A 38 -8.445 -5.402 4.034 1.00 10.00 N ATOM 546 CA ALA A 38 -8.720 -6.249 2.887 1.00 10.00 C ATOM 547 C ALA A 38 -8.324 -5.510 1.606 1.00 10.00 C ATOM 548 O ALA A 38 -9.134 -4.789 1.025 1.00 10.00 O ATOM 549 CB ALA A 38 -10.195 -6.655 2.893 1.00 10.00 C ATOM 0 H ALA A 38 -7.778 -5.791 4.701 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.130 -7.164 2.936 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.401 -7.291 2.032 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -10.418 -7.202 3.809 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.818 -5.762 2.842 1.00 10.00 H new ATOM 555 N ILE A 39 -7.079 -5.714 1.204 1.00 10.00 N ATOM 556 CA ILE A 39 -6.566 -5.077 0.003 1.00 10.00 C ATOM 557 C ILE A 39 -6.643 -6.062 -1.165 1.00 10.00 C ATOM 558 O ILE A 39 -6.116 -7.170 -1.083 1.00 10.00 O ATOM 559 CB ILE A 39 -5.161 -4.523 0.248 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.223 -3.160 0.941 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.358 -4.470 -1.053 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.700 -2.075 -0.026 1.00 10.00 C ATOM 0 H ILE A 39 -6.410 -6.312 1.689 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.181 -4.217 -0.263 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.638 -5.202 0.921 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.898 -3.213 1.796 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.238 -2.900 1.328 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.363 -4.073 -0.851 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.270 -5.474 -1.467 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.868 -3.825 -1.769 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.735 -1.116 0.491 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -5.010 -2.008 -0.867 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.695 -2.326 -0.392 1.00 10.00 H new ATOM 574 N ASP A 40 -7.304 -5.623 -2.227 1.00 10.00 N ATOM 575 CA ASP A 40 -7.457 -6.452 -3.410 1.00 10.00 C ATOM 576 C ASP A 40 -8.702 -6.009 -4.181 1.00 10.00 C ATOM 577 O ASP A 40 -9.626 -5.441 -3.600 1.00 10.00 O ATOM 578 CB ASP A 40 -7.635 -7.924 -3.031 1.00 10.00 C ATOM 579 CG ASP A 40 -6.364 -8.771 -3.115 1.00 10.00 C ATOM 580 OD1 ASP A 40 -5.738 -8.750 -4.197 1.00 10.00 O ATOM 581 OD2 ASP A 40 -6.046 -9.421 -2.095 1.00 10.00 O ATOM 0 H ASP A 40 -7.740 -4.703 -2.292 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.559 -6.341 -4.018 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.023 -7.977 -2.014 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -8.390 -8.363 -3.683 1.00 10.00 H new ATOM 586 N LYS A 41 -8.686 -6.285 -5.476 1.00 10.00 N ATOM 587 CA LYS A 41 -9.802 -5.921 -6.333 1.00 10.00 C ATOM 588 C LYS A 41 -9.669 -4.452 -6.739 1.00 10.00 C ATOM 589 O LYS A 41 -8.560 -3.927 -6.833 1.00 10.00 O ATOM 590 CB LYS A 41 -11.131 -6.253 -5.650 1.00 10.00 C ATOM 591 CG LYS A 41 -11.078 -7.632 -4.989 1.00 10.00 C ATOM 592 CD LYS A 41 -12.485 -8.139 -4.666 1.00 10.00 C ATOM 593 CE LYS A 41 -12.489 -9.657 -4.470 1.00 10.00 C ATOM 594 NZ LYS A 41 -13.374 -10.305 -5.464 1.00 10.00 N ATOM 0 H LYS A 41 -7.918 -6.757 -5.953 1.00 10.00 H new ATOM 0 HA LYS A 41 -9.786 -6.508 -7.251 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -11.358 -5.495 -4.900 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -11.937 -6.228 -6.383 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -10.576 -8.338 -5.651 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -10.488 -7.578 -4.074 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -12.853 -7.651 -3.763 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -13.166 -7.871 -5.474 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -11.475 -10.045 -4.569 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -12.826 -9.899 -3.462 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -13.365 -11.335 -5.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -14.344 -9.947 -5.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -13.035 -10.089 -6.423 1.00 10.00 H new ATOM 608 N LYS A 42 -10.816 -3.829 -6.969 1.00 10.00 N ATOM 609 CA LYS A 42 -10.843 -2.431 -7.363 1.00 10.00 C ATOM 610 C LYS A 42 -10.749 -1.552 -6.114 1.00 10.00 C ATOM 611 O LYS A 42 -11.557 -0.642 -5.931 1.00 10.00 O ATOM 612 CB LYS A 42 -12.070 -2.142 -8.229 1.00 10.00 C ATOM 613 CG LYS A 42 -13.357 -2.542 -7.506 1.00 10.00 C ATOM 614 CD LYS A 42 -13.900 -3.868 -8.044 1.00 10.00 C ATOM 615 CE LYS A 42 -14.611 -4.657 -6.942 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.948 -4.082 -6.675 1.00 10.00 N ATOM 0 H LYS A 42 -11.734 -4.267 -6.890 1.00 10.00 H new ATOM 0 HA LYS A 42 -9.980 -2.193 -7.986 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -12.103 -1.081 -8.477 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.992 -2.687 -9.170 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -13.165 -2.631 -6.437 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -14.106 -1.761 -7.631 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -14.593 -3.676 -8.863 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.082 -4.462 -8.451 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -14.710 -5.701 -7.240 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -14.013 -4.641 -6.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -16.417 -4.629 -5.925 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.846 -3.093 -6.370 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -16.522 -4.120 -7.542 1.00 10.00 H new ATOM 630 N SER A 43 -9.758 -1.853 -5.290 1.00 10.00 N ATOM 631 CA SER A 43 -9.549 -1.103 -4.064 1.00 10.00 C ATOM 632 C SER A 43 -8.094 -0.636 -3.978 1.00 10.00 C ATOM 633 O SER A 43 -7.826 0.564 -3.927 1.00 10.00 O ATOM 634 CB SER A 43 -9.910 -1.940 -2.836 1.00 10.00 C ATOM 635 OG SER A 43 -11.271 -2.365 -2.860 1.00 10.00 O ATOM 0 H SER A 43 -9.090 -2.607 -5.447 1.00 10.00 H new ATOM 0 HA SER A 43 -10.204 -0.232 -4.081 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.259 -2.813 -2.788 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.728 -1.356 -1.933 1.00 10.00 H new ATOM 0 HG SER A 43 -11.461 -2.898 -2.060 1.00 10.00 H new ATOM 641 N ALA A 44 -7.194 -1.607 -3.965 1.00 10.00 N ATOM 642 CA ALA A 44 -5.774 -1.311 -3.887 1.00 10.00 C ATOM 643 C ALA A 44 -5.384 -0.393 -5.046 1.00 10.00 C ATOM 644 O ALA A 44 -4.334 0.249 -5.010 1.00 10.00 O ATOM 645 CB ALA A 44 -4.978 -2.617 -3.885 1.00 10.00 C ATOM 0 H ALA A 44 -7.421 -2.601 -4.007 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.543 -0.787 -2.959 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -3.913 -2.394 -3.826 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.270 -3.220 -3.025 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.183 -3.169 -4.802 1.00 10.00 H new ATOM 651 N HIS A 45 -6.250 -0.358 -6.048 1.00 10.00 N ATOM 652 CA HIS A 45 -6.010 0.472 -7.217 1.00 10.00 C ATOM 653 C HIS A 45 -6.752 1.801 -7.065 1.00 10.00 C ATOM 654 O HIS A 45 -6.675 2.663 -7.939 1.00 10.00 O ATOM 655 CB HIS A 45 -6.386 -0.273 -8.499 1.00 10.00 C ATOM 656 CG HIS A 45 -5.370 -1.305 -8.931 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.333 -1.829 -10.211 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.357 -1.901 -8.240 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.337 -2.702 -10.276 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.735 -2.745 -9.053 1.00 10.00 N ATOM 0 H HIS A 45 -7.119 -0.891 -6.075 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.946 0.697 -7.295 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.348 -0.764 -8.353 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.517 0.451 -9.303 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -5.964 -1.585 -10.974 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.104 -1.717 -7.206 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.053 -3.278 -11.144 1.00 10.00 H new ATOM 668 N LYS A 46 -7.454 1.926 -5.948 1.00 10.00 N ATOM 669 CA LYS A 46 -8.209 3.135 -5.670 1.00 10.00 C ATOM 670 C LYS A 46 -7.526 3.909 -4.540 1.00 10.00 C ATOM 671 O LYS A 46 -6.366 3.656 -4.223 1.00 10.00 O ATOM 672 CB LYS A 46 -9.675 2.798 -5.386 1.00 10.00 C ATOM 673 CG LYS A 46 -10.597 3.450 -6.420 1.00 10.00 C ATOM 674 CD LYS A 46 -12.033 2.946 -6.267 1.00 10.00 C ATOM 675 CE LYS A 46 -13.002 3.792 -7.096 1.00 10.00 C ATOM 676 NZ LYS A 46 -14.230 3.025 -7.401 1.00 10.00 N ATOM 0 H LYS A 46 -7.515 1.209 -5.225 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.219 3.787 -6.543 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.813 1.717 -5.401 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.944 3.140 -4.387 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.573 4.533 -6.302 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.236 3.231 -7.425 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.092 1.904 -6.583 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.324 2.978 -5.217 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.259 4.700 -6.551 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.521 4.103 -8.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.876 3.614 -7.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.981 2.171 -7.940 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.697 2.750 -6.513 1.00 10.00 H new ATOM 690 N ASP A 47 -8.277 4.837 -3.964 1.00 10.00 N ATOM 691 CA ASP A 47 -7.759 5.649 -2.876 1.00 10.00 C ATOM 692 C ASP A 47 -7.025 4.750 -1.879 1.00 10.00 C ATOM 693 O ASP A 47 -6.152 5.212 -1.147 1.00 10.00 O ATOM 694 CB ASP A 47 -8.891 6.358 -2.131 1.00 10.00 C ATOM 695 CG ASP A 47 -10.023 5.446 -1.654 1.00 10.00 C ATOM 696 OD1 ASP A 47 -10.621 4.780 -2.527 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.264 5.434 -0.428 1.00 10.00 O ATOM 0 H ASP A 47 -9.240 5.044 -4.230 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.086 6.394 -3.301 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -8.471 6.872 -1.267 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -9.312 7.123 -2.784 1.00 10.00 H new ATOM 702 N ALA A 48 -7.410 3.482 -1.881 1.00 10.00 N ATOM 703 CA ALA A 48 -6.800 2.514 -0.985 1.00 10.00 C ATOM 704 C ALA A 48 -5.292 2.768 -0.915 1.00 10.00 C ATOM 705 O ALA A 48 -4.736 2.932 0.169 1.00 10.00 O ATOM 706 CB ALA A 48 -7.131 1.098 -1.460 1.00 10.00 C ATOM 0 H ALA A 48 -8.136 3.103 -2.488 1.00 10.00 H new ATOM 0 HA ALA A 48 -7.199 2.621 0.024 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.673 0.372 -0.788 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.212 0.959 -1.463 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.744 0.953 -2.469 1.00 10.00 H new ATOM 712 N CYS A 49 -4.675 2.795 -2.087 1.00 10.00 N ATOM 713 CA CYS A 49 -3.243 3.027 -2.173 1.00 10.00 C ATOM 714 C CYS A 49 -3.003 4.210 -3.115 1.00 10.00 C ATOM 715 O CYS A 49 -2.335 5.174 -2.747 1.00 10.00 O ATOM 716 CB CYS A 49 -2.494 1.774 -2.629 1.00 10.00 C ATOM 717 SG CYS A 49 -2.725 0.308 -1.558 1.00 10.00 S ATOM 0 H CYS A 49 -5.140 2.660 -2.985 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.851 3.266 -1.184 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.817 1.523 -3.639 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.430 2.003 -2.682 1.00 10.00 H new ATOM 722 N LYS A 50 -3.563 4.095 -4.310 1.00 10.00 N ATOM 723 CA LYS A 50 -3.418 5.142 -5.307 1.00 10.00 C ATOM 724 C LYS A 50 -3.330 6.499 -4.606 1.00 10.00 C ATOM 725 O LYS A 50 -2.267 7.116 -4.573 1.00 10.00 O ATOM 726 CB LYS A 50 -4.544 5.057 -6.341 1.00 10.00 C ATOM 727 CG LYS A 50 -4.109 4.235 -7.556 1.00 10.00 C ATOM 728 CD LYS A 50 -4.439 4.966 -8.859 1.00 10.00 C ATOM 729 CE LYS A 50 -4.889 3.983 -9.941 1.00 10.00 C ATOM 730 NZ LYS A 50 -4.775 4.599 -11.282 1.00 10.00 N ATOM 0 H LYS A 50 -4.118 3.293 -4.610 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.491 5.010 -5.866 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.426 4.604 -5.888 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.828 6.060 -6.659 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.037 4.042 -7.504 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -4.608 3.266 -7.542 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -5.225 5.699 -8.679 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.563 5.516 -9.204 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -4.280 3.080 -9.896 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -5.920 3.681 -9.760 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.085 3.918 -12.004 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -5.375 5.447 -11.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.785 4.865 -11.459 1.00 10.00 H new ATOM 744 N THR A 51 -4.462 6.924 -4.062 1.00 10.00 N ATOM 745 CA THR A 51 -4.525 8.196 -3.363 1.00 10.00 C ATOM 746 C THR A 51 -3.216 8.460 -2.616 1.00 10.00 C ATOM 747 O THR A 51 -2.441 9.333 -3.005 1.00 10.00 O ATOM 748 CB THR A 51 -5.752 8.172 -2.449 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.822 8.591 -3.293 1.00 10.00 O ATOM 750 CG2 THR A 51 -5.693 9.248 -1.362 1.00 10.00 C ATOM 0 H THR A 51 -5.342 6.410 -4.092 1.00 10.00 H new ATOM 0 HA THR A 51 -4.637 9.026 -4.061 1.00 10.00 H new ATOM 0 HB THR A 51 -5.839 7.190 -1.984 1.00 10.00 H new ATOM 0 HG1 THR A 51 -7.621 8.756 -2.750 1.00 10.00 H new ATOM 0 HG21 THR A 51 -6.587 9.188 -0.741 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.810 9.091 -0.743 1.00 10.00 H new ATOM 0 HG23 THR A 51 -5.640 10.232 -1.827 1.00 10.00 H new ATOM 758 N CYS A 52 -3.010 7.690 -1.557 1.00 10.00 N ATOM 759 CA CYS A 52 -1.808 7.830 -0.753 1.00 10.00 C ATOM 760 C CYS A 52 -0.642 7.201 -1.518 1.00 10.00 C ATOM 761 O CYS A 52 -0.271 6.058 -1.259 1.00 10.00 O ATOM 762 CB CYS A 52 -1.982 7.211 0.635 1.00 10.00 C ATOM 763 SG CYS A 52 -0.419 6.754 1.473 1.00 10.00 S ATOM 0 H CYS A 52 -3.655 6.968 -1.238 1.00 10.00 H new ATOM 0 HA CYS A 52 -1.601 8.887 -0.584 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -2.524 7.915 1.266 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -2.604 6.320 0.545 1.00 10.00 H new ATOM 768 N HIS A 53 -0.098 7.976 -2.444 1.00 10.00 N ATOM 769 CA HIS A 53 1.019 7.510 -3.249 1.00 10.00 C ATOM 770 C HIS A 53 1.222 8.448 -4.439 1.00 10.00 C ATOM 771 O HIS A 53 2.346 8.632 -4.905 1.00 10.00 O ATOM 772 CB HIS A 53 0.813 6.053 -3.670 1.00 10.00 C ATOM 773 CG HIS A 53 1.762 5.082 -3.009 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.080 4.935 -3.405 1.00 10.00 N ATOM 775 CD2 HIS A 53 1.572 4.212 -1.976 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.647 4.015 -2.639 1.00 10.00 C ATOM 777 NE2 HIS A 53 2.710 3.568 -1.753 1.00 10.00 N ATOM 0 H HIS A 53 -0.410 8.924 -2.655 1.00 10.00 H new ATOM 0 HA HIS A 53 1.933 7.531 -2.656 1.00 10.00 H new ATOM 0 HB2 HIS A 53 -0.211 5.760 -3.437 1.00 10.00 H new ATOM 0 HB3 HIS A 53 0.928 5.978 -4.751 1.00 10.00 H new ATOM 0 HD1 HIS A 53 3.537 5.448 -4.159 1.00 10.00 H new ATOM 0 HD2 HIS A 53 0.650 4.071 -1.431 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.671 3.678 -2.704 1.00 10.00 H new ATOM 785 N LYS A 54 0.118 9.018 -4.897 1.00 10.00 N ATOM 786 CA LYS A 54 0.160 9.934 -6.025 1.00 10.00 C ATOM 787 C LYS A 54 1.037 11.136 -5.668 1.00 10.00 C ATOM 788 O LYS A 54 1.871 11.559 -6.466 1.00 10.00 O ATOM 789 CB LYS A 54 -1.257 10.314 -6.459 1.00 10.00 C ATOM 790 CG LYS A 54 -1.900 9.190 -7.275 1.00 10.00 C ATOM 791 CD LYS A 54 -2.895 9.752 -8.293 1.00 10.00 C ATOM 792 CE LYS A 54 -3.293 8.686 -9.316 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.463 9.290 -10.655 1.00 10.00 N ATOM 0 H LYS A 54 -0.812 8.864 -4.508 1.00 10.00 H new ATOM 0 HA LYS A 54 0.615 9.452 -6.890 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -1.866 10.525 -5.580 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.227 11.228 -7.052 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.126 8.623 -7.792 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -2.410 8.497 -6.607 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -3.783 10.115 -7.776 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.453 10.606 -8.806 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -2.530 7.909 -9.356 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.221 8.206 -9.007 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -3.733 8.553 -11.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.207 10.015 -10.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -2.568 9.728 -10.955 1.00 10.00 H new ATOM 807 N SER A 55 0.819 11.651 -4.466 1.00 10.00 N ATOM 808 CA SER A 55 1.580 12.795 -3.993 1.00 10.00 C ATOM 809 C SER A 55 2.812 12.321 -3.220 1.00 10.00 C ATOM 810 O SER A 55 3.130 12.860 -2.162 1.00 10.00 O ATOM 811 CB SER A 55 0.718 13.703 -3.114 1.00 10.00 C ATOM 812 OG SER A 55 0.306 13.052 -1.916 1.00 10.00 O ATOM 0 H SER A 55 0.126 11.297 -3.806 1.00 10.00 H new ATOM 0 HA SER A 55 1.903 13.373 -4.859 1.00 10.00 H new ATOM 0 HB2 SER A 55 1.279 14.603 -2.863 1.00 10.00 H new ATOM 0 HB3 SER A 55 -0.161 14.021 -3.674 1.00 10.00 H new ATOM 0 HG SER A 55 -0.241 13.665 -1.382 1.00 10.00 H new ATOM 818 N ASN A 56 3.473 11.318 -3.779 1.00 10.00 N ATOM 819 CA ASN A 56 4.663 10.766 -3.156 1.00 10.00 C ATOM 820 C ASN A 56 5.780 10.667 -4.197 1.00 10.00 C ATOM 821 O ASN A 56 5.633 11.151 -5.318 1.00 10.00 O ATOM 822 CB ASN A 56 4.398 9.360 -2.612 1.00 10.00 C ATOM 823 CG ASN A 56 4.711 9.283 -1.116 1.00 10.00 C ATOM 824 OD1 ASN A 56 5.739 9.744 -0.646 1.00 10.00 O ATOM 825 ND2 ASN A 56 3.770 8.676 -0.397 1.00 10.00 N ATOM 0 H ASN A 56 3.206 10.873 -4.657 1.00 10.00 H new ATOM 0 HA ASN A 56 4.949 11.423 -2.335 1.00 10.00 H new ATOM 0 HB2 ASN A 56 3.356 9.090 -2.784 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.008 8.636 -3.153 1.00 10.00 H new ATOM 0 HD21 ASN A 56 3.885 8.574 0.611 1.00 10.00 H new ATOM 0 HD22 ASN A 56 2.934 8.313 -0.854 1.00 10.00 H new ATOM 832 N ASN A 57 6.872 10.037 -3.788 1.00 10.00 N ATOM 833 CA ASN A 57 8.013 9.869 -4.671 1.00 10.00 C ATOM 834 C ASN A 57 8.363 8.382 -4.767 1.00 10.00 C ATOM 835 O ASN A 57 8.638 7.739 -3.755 1.00 10.00 O ATOM 836 CB ASN A 57 9.239 10.610 -4.133 1.00 10.00 C ATOM 837 CG ASN A 57 9.554 10.181 -2.699 1.00 10.00 C ATOM 838 OD1 ASN A 57 10.141 9.140 -2.449 1.00 10.00 O ATOM 839 ND2 ASN A 57 9.132 11.037 -1.773 1.00 10.00 N ATOM 0 H ASN A 57 6.990 9.637 -2.857 1.00 10.00 H new ATOM 0 HA ASN A 57 7.747 10.274 -5.648 1.00 10.00 H new ATOM 0 HB2 ASN A 57 10.099 10.411 -4.773 1.00 10.00 H new ATOM 0 HB3 ASN A 57 9.061 11.685 -4.164 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.293 10.840 -0.785 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.647 11.890 -2.050 1.00 10.00 H new ATOM 846 N GLY A 58 8.342 7.881 -5.993 1.00 10.00 N ATOM 847 CA GLY A 58 8.654 6.483 -6.235 1.00 10.00 C ATOM 848 C GLY A 58 7.622 5.843 -7.165 1.00 10.00 C ATOM 849 O GLY A 58 7.371 6.347 -8.259 1.00 10.00 O ATOM 0 H GLY A 58 8.114 8.418 -6.829 1.00 10.00 H new ATOM 0 HA2 GLY A 58 9.647 6.400 -6.676 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.679 5.943 -5.288 1.00 10.00 H new ATOM 853 N PRO A 59 7.036 4.714 -6.686 1.00 10.00 N ATOM 854 CA PRO A 59 6.036 4.001 -7.462 1.00 10.00 C ATOM 855 C PRO A 59 4.698 4.743 -7.448 1.00 10.00 C ATOM 856 O PRO A 59 4.324 5.335 -6.437 1.00 10.00 O ATOM 857 CB PRO A 59 5.957 2.621 -6.829 1.00 10.00 C ATOM 858 CG PRO A 59 6.569 2.762 -5.445 1.00 10.00 C ATOM 859 CD PRO A 59 7.308 4.088 -5.394 1.00 10.00 C ATOM 0 HA PRO A 59 6.298 3.926 -8.517 1.00 10.00 H new ATOM 0 HB2 PRO A 59 4.924 2.279 -6.766 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.501 1.887 -7.424 1.00 10.00 H new ATOM 0 HG2 PRO A 59 5.794 2.728 -4.680 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.252 1.937 -5.244 1.00 10.00 H new ATOM 0 HD2 PRO A 59 6.953 4.708 -4.571 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.377 3.940 -5.243 1.00 10.00 H new ATOM 867 N THR A 60 4.015 4.686 -8.581 1.00 10.00 N ATOM 868 CA THR A 60 2.726 5.346 -8.711 1.00 10.00 C ATOM 869 C THR A 60 2.262 5.327 -10.168 1.00 10.00 C ATOM 870 O THR A 60 1.064 5.277 -10.441 1.00 10.00 O ATOM 871 CB THR A 60 2.856 6.757 -8.134 1.00 10.00 C ATOM 872 OG1 THR A 60 1.829 7.496 -8.788 1.00 10.00 O ATOM 873 CG2 THR A 60 4.149 7.450 -8.568 1.00 10.00 C ATOM 0 H THR A 60 4.329 4.194 -9.417 1.00 10.00 H new ATOM 0 HA THR A 60 1.954 4.819 -8.149 1.00 10.00 H new ATOM 0 HB THR A 60 2.818 6.709 -7.046 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.841 8.423 -8.471 1.00 10.00 H new ATOM 0 HG21 THR A 60 4.191 8.448 -8.131 1.00 10.00 H new ATOM 0 HG22 THR A 60 5.006 6.868 -8.228 1.00 10.00 H new ATOM 0 HG23 THR A 60 4.173 7.529 -9.655 1.00 10.00 H new ATOM 881 N LYS A 61 3.235 5.365 -11.067 1.00 10.00 N ATOM 882 CA LYS A 61 2.942 5.353 -12.490 1.00 10.00 C ATOM 883 C LYS A 61 2.650 3.917 -12.933 1.00 10.00 C ATOM 884 O LYS A 61 3.259 3.421 -13.881 1.00 10.00 O ATOM 885 CB LYS A 61 4.069 6.023 -13.276 1.00 10.00 C ATOM 886 CG LYS A 61 5.302 5.117 -13.346 1.00 10.00 C ATOM 887 CD LYS A 61 6.574 5.939 -13.560 1.00 10.00 C ATOM 888 CE LYS A 61 7.765 5.032 -13.877 1.00 10.00 C ATOM 889 NZ LYS A 61 9.031 5.795 -13.806 1.00 10.00 N ATOM 0 H LYS A 61 4.228 5.404 -10.837 1.00 10.00 H new ATOM 0 HA LYS A 61 2.048 5.940 -12.700 1.00 10.00 H new ATOM 0 HB2 LYS A 61 3.726 6.255 -14.284 1.00 10.00 H new ATOM 0 HB3 LYS A 61 4.334 6.969 -12.804 1.00 10.00 H new ATOM 0 HG2 LYS A 61 5.387 4.541 -12.424 1.00 10.00 H new ATOM 0 HG3 LYS A 61 5.186 4.401 -14.160 1.00 10.00 H new ATOM 0 HD2 LYS A 61 6.422 6.645 -14.377 1.00 10.00 H new ATOM 0 HD3 LYS A 61 6.787 6.526 -12.667 1.00 10.00 H new ATOM 0 HE2 LYS A 61 7.794 4.201 -13.172 1.00 10.00 H new ATOM 0 HE3 LYS A 61 7.648 4.602 -14.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 9.829 5.165 -14.024 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 9.006 6.573 -14.495 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 9.149 6.184 -12.849 1.00 10.00 H new ATOM 903 N CYS A 62 1.720 3.291 -12.227 1.00 10.00 N ATOM 904 CA CYS A 62 1.342 1.923 -12.536 1.00 10.00 C ATOM 905 C CYS A 62 2.549 1.019 -12.275 1.00 10.00 C ATOM 906 O CYS A 62 2.589 0.305 -11.275 1.00 10.00 O ATOM 907 CB CYS A 62 0.828 1.788 -13.971 1.00 10.00 C ATOM 908 SG CYS A 62 0.244 0.114 -14.423 1.00 10.00 S ATOM 0 H CYS A 62 1.217 3.706 -11.442 1.00 10.00 H new ATOM 0 HA CYS A 62 0.516 1.618 -11.894 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.011 2.494 -14.117 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.625 2.077 -14.656 1.00 10.00 H new ATOM 0 HG CYS A 62 1.098 -0.772 -14.003 1.00 10.00 H new ATOM 913 N GLY A 63 3.502 1.080 -13.193 1.00 10.00 N ATOM 914 CA GLY A 63 4.707 0.276 -13.074 1.00 10.00 C ATOM 915 C GLY A 63 5.556 0.732 -11.885 1.00 10.00 C ATOM 916 O GLY A 63 6.702 1.142 -12.057 1.00 10.00 O ATOM 0 H GLY A 63 3.465 1.673 -14.022 1.00 10.00 H new ATOM 0 HA2 GLY A 63 4.438 -0.773 -12.952 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.290 0.351 -13.992 1.00 10.00 H new ATOM 920 N GLY A 64 4.959 0.643 -10.706 1.00 10.00 N ATOM 921 CA GLY A 64 5.645 1.042 -9.489 1.00 10.00 C ATOM 922 C GLY A 64 5.548 -0.051 -8.422 1.00 10.00 C ATOM 923 O GLY A 64 6.564 -0.490 -7.883 1.00 10.00 O ATOM 0 H GLY A 64 4.008 0.301 -10.567 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.692 1.249 -9.709 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.210 1.966 -9.109 1.00 10.00 H new ATOM 927 N CYS A 65 4.318 -0.460 -8.149 1.00 10.00 N ATOM 928 CA CYS A 65 4.075 -1.493 -7.157 1.00 10.00 C ATOM 929 C CYS A 65 4.310 -2.855 -7.813 1.00 10.00 C ATOM 930 O CYS A 65 4.908 -3.744 -7.210 1.00 10.00 O ATOM 931 CB CYS A 65 2.672 -1.383 -6.557 1.00 10.00 C ATOM 932 SG CYS A 65 2.050 0.327 -6.365 1.00 10.00 S ATOM 0 H CYS A 65 3.478 -0.094 -8.598 1.00 10.00 H new ATOM 0 HA CYS A 65 4.766 -1.369 -6.323 1.00 10.00 H new ATOM 0 HB2 CYS A 65 1.978 -1.938 -7.188 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.671 -1.867 -5.580 1.00 10.00 H new ATOM 0 HG CYS A 65 2.311 0.751 -5.164 1.00 10.00 H new ATOM 937 N HIS A 66 3.828 -2.974 -9.041 1.00 10.00 N ATOM 938 CA HIS A 66 3.979 -4.212 -9.787 1.00 10.00 C ATOM 939 C HIS A 66 5.202 -4.117 -10.701 1.00 10.00 C ATOM 940 O HIS A 66 5.109 -3.610 -11.818 1.00 10.00 O ATOM 941 CB HIS A 66 2.695 -4.548 -10.550 1.00 10.00 C ATOM 942 CG HIS A 66 1.561 -5.013 -9.668 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.209 -6.345 -9.539 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.704 -4.310 -8.873 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.186 -6.429 -8.702 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.126 -5.166 -8.291 1.00 10.00 N ATOM 0 H HIS A 66 3.333 -2.234 -9.538 1.00 10.00 H new ATOM 0 HA HIS A 66 4.149 -5.037 -9.095 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.373 -3.667 -11.104 1.00 10.00 H new ATOM 0 HB3 HIS A 66 2.913 -5.324 -11.284 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.661 -7.129 -10.009 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.702 -3.238 -8.740 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.313 -7.337 -8.398 1.00 10.00 H new ATOM 954 N ILE A 67 6.321 -4.611 -10.192 1.00 10.00 N ATOM 955 CA ILE A 67 7.562 -4.586 -10.947 1.00 10.00 C ATOM 956 C ILE A 67 7.439 -5.524 -12.150 1.00 10.00 C ATOM 957 O ILE A 67 6.410 -6.171 -12.335 1.00 10.00 O ATOM 958 CB ILE A 67 8.750 -4.906 -10.037 1.00 10.00 C ATOM 959 CG1 ILE A 67 10.060 -4.406 -10.649 1.00 10.00 C ATOM 960 CG2 ILE A 67 8.803 -6.400 -9.709 1.00 10.00 C ATOM 961 CD1 ILE A 67 11.039 -3.962 -9.562 1.00 10.00 C ATOM 0 H ILE A 67 6.394 -5.031 -9.265 1.00 10.00 H new ATOM 0 HA ILE A 67 7.751 -3.586 -11.338 1.00 10.00 H new ATOM 0 HB ILE A 67 8.612 -4.375 -9.095 1.00 10.00 H new ATOM 0 HG12 ILE A 67 10.511 -5.197 -11.248 1.00 10.00 H new ATOM 0 HG13 ILE A 67 9.856 -3.573 -11.322 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.656 -6.600 -9.061 1.00 10.00 H new ATOM 0 HG22 ILE A 67 7.885 -6.694 -9.201 1.00 10.00 H new ATOM 0 HG23 ILE A 67 8.906 -6.972 -10.631 1.00 10.00 H new ATOM 0 HD11 ILE A 67 11.962 -3.611 -10.024 1.00 10.00 H new ATOM 0 HD12 ILE A 67 10.595 -3.154 -8.980 1.00 10.00 H new ATOM 0 HD13 ILE A 67 11.259 -4.803 -8.905 1.00 10.00 H new ATOM 973 N LYS A 68 8.504 -5.566 -12.938 1.00 10.00 N ATOM 974 CA LYS A 68 8.529 -6.414 -14.118 1.00 10.00 C ATOM 975 C LYS A 68 9.614 -7.479 -13.953 1.00 10.00 C ATOM 976 O LYS A 68 10.792 -7.212 -14.187 1.00 10.00 O ATOM 977 CB LYS A 68 8.686 -5.567 -15.382 1.00 10.00 C ATOM 978 CG LYS A 68 7.323 -5.245 -16.000 1.00 10.00 C ATOM 979 CD LYS A 68 6.808 -3.888 -15.517 1.00 10.00 C ATOM 980 CE LYS A 68 5.706 -3.361 -16.438 1.00 10.00 C ATOM 981 NZ LYS A 68 6.234 -2.305 -17.329 1.00 10.00 N ATOM 0 H LYS A 68 9.356 -5.027 -12.782 1.00 10.00 H new ATOM 0 HA LYS A 68 7.581 -6.940 -14.230 1.00 10.00 H new ATOM 0 HB2 LYS A 68 9.208 -4.641 -15.141 1.00 10.00 H new ATOM 0 HB3 LYS A 68 9.301 -6.100 -16.107 1.00 10.00 H new ATOM 0 HG2 LYS A 68 7.405 -5.241 -17.087 1.00 10.00 H new ATOM 0 HG3 LYS A 68 6.607 -6.024 -15.737 1.00 10.00 H new ATOM 0 HD2 LYS A 68 6.424 -3.981 -14.501 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.631 -3.174 -15.483 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.301 -4.179 -17.034 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.885 -2.964 -15.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.472 -1.959 -17.947 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.599 -1.518 -16.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 7.002 -2.695 -17.912 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -6.860 1.529 -12.855 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.663 -2.300 8.965 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.798 -4.846 8.253 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.988 -3.009 12.271 1.00 10.00 C HETATM 1000 CHC HEC A 98 0.824 -0.146 9.595 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.842 -1.243 5.825 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.686 -3.637 9.988 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.521 -4.610 9.592 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.829 -5.570 10.680 1.00 10.00 C HETATM 1005 C3A HEC A 98 -3.331 -5.012 11.784 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.605 -3.868 11.449 1.00 10.00 C HETATM 1007 CMA HEC A 98 -3.414 -5.622 13.235 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.739 -6.744 10.466 1.00 10.00 C HETATM 1009 CBA HEC A 98 -4.084 -7.717 9.432 1.00 10.00 C HETATM 1010 CGA HEC A 98 -3.347 -8.936 9.966 1.00 10.00 C HETATM 1011 O1A HEC A 98 -3.887 -9.451 10.952 1.00 10.00 O HETATM 1012 O2A HEC A 98 -2.305 -9.343 9.409 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.743 -1.673 10.630 1.00 10.00 N HETATM 1014 C1B HEC A 98 -1.179 -1.935 11.924 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.280 -1.188 12.798 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.573 -0.421 12.075 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.201 -0.722 10.719 1.00 10.00 C HETATM 1018 CMB HEC A 98 -0.460 -1.205 14.360 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.618 0.583 12.486 1.00 10.00 C HETATM 1020 CBB HEC A 98 2.959 -0.040 12.907 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.707 -0.947 7.865 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.312 -0.120 8.228 1.00 10.00 C HETATM 1023 C2C HEC A 98 0.762 0.818 7.276 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.038 0.477 6.190 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.930 -0.551 6.567 1.00 10.00 C HETATM 1026 CMC HEC A 98 1.840 1.851 7.393 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.145 1.196 4.816 1.00 10.00 C HETATM 1028 CBC HEC A 98 1.106 1.051 3.920 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.642 -2.913 7.328 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.595 -2.332 6.066 1.00 10.00 C HETATM 1031 C2D HEC A 98 -3.396 -3.049 5.187 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.924 -4.087 5.857 1.00 10.00 C HETATM 1033 C4D HEC A 98 -3.381 -4.047 7.212 1.00 10.00 C HETATM 1034 CMD HEC A 98 -3.579 -2.754 3.629 1.00 10.00 C HETATM 1035 CAD HEC A 98 -4.770 -5.223 5.229 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.929 -6.389 4.765 1.00 10.00 C HETATM 1037 CGD HEC A 98 -4.579 -7.432 3.874 1.00 10.00 C HETATM 1038 O1D HEC A 98 -4.018 -8.559 3.810 1.00 10.00 O HETATM 1039 O2D HEC A 98 -5.516 -7.000 3.166 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.980 -1.750 3.494 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -2.614 -2.829 3.129 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -4.268 -3.481 3.199 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.597 2.540 8.202 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 2.791 1.362 7.606 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 1.918 2.404 6.457 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -1.443 -0.812 14.617 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -0.372 -2.228 14.725 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 0.310 -0.587 14.822 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -4.459 -5.745 13.519 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.917 -6.592 13.251 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.923 -4.951 13.940 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.067 -5.987 4.233 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -3.548 -6.898 5.650 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 1.967 1.491 4.423 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 1.297 -0.005 3.730 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.937 1.565 2.974 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.801 -0.703 13.757 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.373 -0.609 12.075 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.655 0.750 13.188 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -4.868 -8.068 8.761 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -3.383 -7.140 8.829 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -5.499 -5.574 5.960 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -5.332 -4.827 4.383 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.915 -7.261 11.410 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.709 -6.406 10.102 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.992 -0.827 4.829 1.00 10.00 H new HETATM 0 HHC HEC A 98 1.790 0.330 9.763 1.00 10.00 H new HETATM 0 HHB HEC A 98 -2.139 -3.172 13.338 1.00 10.00 H new HETATM 0 HHA HEC A 98 -4.389 -5.728 8.007 1.00 10.00 H new HETATM 0 HAC HEC A 98 -1.046 1.735 4.524 1.00 10.00 H new HETATM 0 H2D HEC A 98 -6.071 -7.749 2.865 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.845 -9.977 9.998 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.607 2.580 0.001 1.00 10.00 FE HETATM 1073 CHA HEC A 128 6.960 3.061 -0.267 1.00 10.00 C HETATM 1074 CHB HEC A 128 3.819 0.116 -2.326 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.422 1.784 0.662 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.330 5.364 1.784 1.00 10.00 C HETATM 1077 NA HEC A 128 5.086 1.801 -1.044 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.398 2.082 -1.072 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.183 1.043 -1.782 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.274 0.259 -2.362 1.00 10.00 C HETATM 1081 C4A HEC A 128 4.994 0.628 -1.943 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.590 -0.994 -3.265 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.674 1.144 -1.935 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.361 0.408 -0.739 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.870 0.531 -0.597 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.428 0.987 -1.603 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.438 0.204 0.467 1.00 10.00 O HETATM 1088 NB HEC A 128 2.333 1.205 -0.705 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.559 0.416 -1.826 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.326 -0.339 -2.028 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.366 0.059 -1.156 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.036 1.072 -0.384 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.170 -1.342 -3.228 1.00 10.00 C HETATM 1094 CAB HEC A 128 -1.081 -0.332 -1.005 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.314 -1.540 -0.082 1.00 10.00 C HETATM 1096 NC HEC A 128 2.164 3.456 1.050 1.00 10.00 N HETATM 1097 C1C HEC A 128 0.887 3.032 1.263 1.00 10.00 C HETATM 1098 C2C HEC A 128 0.025 3.888 1.978 1.00 10.00 C HETATM 1099 C3C HEC A 128 0.861 4.884 2.338 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.157 4.670 1.697 1.00 10.00 C HETATM 1101 CMC HEC A 128 -1.414 3.698 2.347 1.00 10.00 C HETATM 1102 CAC HEC A 128 0.576 6.278 2.980 1.00 10.00 C HETATM 1103 CBC HEC A 128 -0.401 6.170 4.173 1.00 10.00 C HETATM 1104 ND HEC A 128 4.895 3.975 0.642 1.00 10.00 N HETATM 1105 C1D HEC A 128 4.591 5.101 1.398 1.00 10.00 C HETATM 1106 C2D HEC A 128 5.751 5.819 1.660 1.00 10.00 C HETATM 1107 C3D HEC A 128 6.783 5.158 1.114 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.249 3.932 0.526 1.00 10.00 C HETATM 1109 CMD HEC A 128 5.854 7.145 2.542 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.277 5.530 1.284 1.00 10.00 C HETATM 1111 CBD HEC A 128 8.709 5.575 2.730 1.00 10.00 C HETATM 1112 CGD HEC A 128 10.181 5.382 3.046 1.00 10.00 C HETATM 1113 O1D HEC A 128 10.800 6.372 3.518 1.00 10.00 O HETATM 1114 O2D HEC A 128 10.661 4.298 2.641 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.230 7.923 2.103 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 5.513 6.935 3.556 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 6.890 7.484 2.570 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -2.010 3.582 1.441 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.516 2.806 2.965 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.765 4.567 2.903 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.292 -0.805 -4.169 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 1.930 -2.120 -3.153 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.180 -1.797 -3.195 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.176 -0.681 -4.129 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.156 -1.725 -2.688 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.656 -1.444 -3.603 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 8.405 6.539 3.138 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 8.150 4.810 3.268 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -1.347 5.750 3.832 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.028 5.522 4.937 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.574 7.161 4.593 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.788 -2.408 -0.479 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.938 -1.313 0.916 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.381 -1.756 -0.028 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 8.908 0.773 0.183 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 9.118 -0.652 -0.815 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 8.890 4.805 0.749 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 8.459 6.502 0.825 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 8.986 0.699 -2.880 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 8.980 2.190 -1.959 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.221 6.335 2.268 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.497 1.360 1.067 1.00 10.00 H new HETATM 0 HHB HEC A 128 3.855 -0.624 -3.125 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.047 3.147 -0.262 1.00 10.00 H new HETATM 0 H2D HEC A 128 11.636 4.314 2.740 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.403 0.132 0.314 1.00 10.00 H new HETATM 1147 FE HEC A 158 -1.950 -3.980 -8.641 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.028 -6.674 -6.875 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.221 -5.797 -11.497 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.393 -1.177 -10.390 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.110 -2.442 -5.823 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.499 -5.828 -9.046 1.00 10.00 N HETATM 1153 C1A HEC A 158 -2.908 -6.827 -8.248 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.509 -7.949 -9.010 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.242 -7.681 -10.289 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.667 -6.413 -10.396 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.646 -8.583 -11.517 1.00 10.00 C HETATM 1158 CAA HEC A 158 -4.040 -9.176 -8.326 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.174 -10.409 -8.742 1.00 10.00 C HETATM 1160 CGA HEC A 158 -3.768 -11.796 -8.552 1.00 10.00 C HETATM 1161 O1A HEC A 158 -3.043 -12.709 -8.966 1.00 10.00 O HETATM 1162 O2A HEC A 158 -4.883 -11.940 -8.008 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.818 -3.551 -10.593 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.749 -4.496 -11.610 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.543 -3.735 -12.839 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.372 -2.416 -12.568 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.499 -2.365 -11.137 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.387 -4.453 -14.228 1.00 10.00 C HETATM 1169 CAB HEC A 158 -1.048 -1.242 -13.454 1.00 10.00 C HETATM 1170 CBB HEC A 158 -2.142 -0.162 -13.494 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.355 -2.148 -8.145 1.00 10.00 N HETATM 1172 C1C HEC A 158 -1.168 -1.065 -8.950 1.00 10.00 C HETATM 1173 C2C HEC A 158 -0.653 0.106 -8.360 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.616 -0.236 -7.054 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.963 -1.650 -6.925 1.00 10.00 C HETATM 1176 CMC HEC A 158 -0.334 1.428 -8.988 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.023 0.484 -5.827 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.426 1.960 -5.727 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.036 -4.458 -6.697 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.629 -3.668 -5.629 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.860 -4.336 -4.434 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.432 -5.517 -4.721 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.618 -5.567 -6.168 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.590 -3.763 -2.969 1.00 10.00 C HETATM 1185 CAD HEC A 158 -2.986 -6.522 -3.679 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.376 -7.899 -3.813 1.00 10.00 C HETATM 1187 CGD HEC A 158 -1.241 -8.086 -4.803 1.00 10.00 C HETATM 1188 O1D HEC A 158 -0.419 -7.138 -4.918 1.00 10.00 O HETATM 1189 O2D HEC A 158 -1.344 -9.104 -5.524 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.533 -3.520 -2.862 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.186 -2.863 -2.815 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -1.867 -4.513 -2.228 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 0.418 1.290 -9.765 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -1.238 1.849 -9.429 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.050 2.109 -8.228 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -0.524 -5.118 -14.199 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.285 -5.033 -14.441 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.243 -3.707 -15.009 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -3.189 -9.567 -11.412 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -4.730 -8.689 -11.550 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -3.299 -8.118 -12.440 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -2.014 -8.200 -2.830 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -3.173 -8.591 -4.085 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 -0.127 2.493 -6.629 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.510 2.004 -5.622 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.042 2.425 -4.859 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -3.069 -0.597 -13.866 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -2.303 0.230 -12.490 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -1.830 0.647 -14.154 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.918 -10.297 -9.796 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -2.241 -10.366 -8.181 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -2.795 -6.141 -2.676 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.068 -6.596 -3.791 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.012 -9.045 -7.244 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -5.082 -9.339 -8.601 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.727 -1.986 -4.910 1.00 10.00 H new HETATM 0 HHC HEC A 158 -1.489 -0.243 -10.943 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.229 -6.386 -12.414 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.481 -7.492 -6.314 1.00 10.00 H new HETATM 0 HAC HEC A 158 0.704 0.004 -5.124 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.119 -1.165 -14.018 1.00 10.00 H new HETATM 0 H2D HEC A 158 -1.203 -9.906 -4.979 1.00 10.00 H new HETATM 0 H2A HEC A 158 -5.210 -12.850 -8.169 1.00 10.00 H new