USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 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 1 ALA N :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 130 HEC O2A : rot -93:sc= 1.1 USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0.721 USER MOD Set 2.2: A 56 ASN : amide:sc= 1.74 K(o=3.5,f=4.1) USER MOD Set 2.3: A 57 ASN : amide:sc= 1.06 K(o=3.5,f=4.1) USER MOD Set 3.1: A 6 TYR OH : rot 87:sc= 1.25 USER MOD Set 3.2: A 130 HEC O2D : rot -130:sc= 1.02 USER MOD Single : A 5 THR OG1 : rot -52:sc= 1.19 USER MOD Single : A 8 ASN : amide:sc= 0.249 K(o=0.25,f=-6.2!) USER MOD Single : A 12 ASN : amide:sc= 0.902 K(o=0.9,f=-2.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.896) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 43:sc= 0.802 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.04) USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.14) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 94:sc= 0.128 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= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 68 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00724) USER MOD Single : A 153 HEC O2A : rot 167:sc= 0 USER MOD Single : A 153 HEC O2D : rot 165:sc= -0.121 USER MOD Single : A 166 HEC O2A : rot 172:sc= 0 USER MOD Single : A 166 HEC O2D : rot 175:sc= -0.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.152 -8.183 -1.515 1.00 10.00 N ATOM 2 CA ALA A 1 -10.244 -8.121 -0.350 1.00 10.00 C ATOM 3 C ALA A 1 -9.435 -9.416 -0.137 1.00 10.00 C ATOM 4 O ALA A 1 -9.925 -10.324 0.526 1.00 10.00 O ATOM 5 CB ALA A 1 -11.032 -7.752 0.914 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.417 -7.219 -1.800 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.671 -8.658 -2.305 1.00 10.00 H new ATOM 0 H3 ALA A 1 -12.008 -8.716 -1.260 1.00 10.00 H new ATOM 0 HA ALA A 1 -9.512 -7.342 -0.561 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.354 -7.709 1.766 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.505 -6.779 0.777 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -11.798 -8.505 1.098 1.00 10.00 H new ATOM 13 N ASP A 2 -8.210 -9.487 -0.680 1.00 10.00 N ATOM 14 CA ASP A 2 -7.299 -10.622 -0.513 1.00 10.00 C ATOM 15 C ASP A 2 -5.818 -10.166 -0.629 1.00 10.00 C ATOM 16 O ASP A 2 -5.428 -9.200 0.029 1.00 10.00 O ATOM 17 CB ASP A 2 -7.730 -11.719 -1.499 1.00 10.00 C ATOM 18 CG ASP A 2 -7.054 -13.042 -1.193 1.00 10.00 C ATOM 19 OD1 ASP A 2 -7.571 -13.760 -0.314 1.00 10.00 O ATOM 20 OD2 ASP A 2 -5.998 -13.265 -1.821 1.00 10.00 O ATOM 0 H ASP A 2 -7.821 -8.742 -1.258 1.00 10.00 H new ATOM 0 HA ASP A 2 -7.360 -11.049 0.488 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.812 -11.844 -1.455 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.486 -11.412 -2.516 1.00 10.00 H new ATOM 25 N VAL A 3 -5.001 -10.798 -1.475 1.00 10.00 N ATOM 26 CA VAL A 3 -3.713 -10.299 -1.955 1.00 10.00 C ATOM 27 C VAL A 3 -3.909 -9.766 -3.380 1.00 10.00 C ATOM 28 O VAL A 3 -4.020 -10.543 -4.326 1.00 10.00 O ATOM 29 CB VAL A 3 -2.670 -11.432 -1.898 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.381 -11.063 -2.644 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.314 -11.742 -0.439 1.00 10.00 C ATOM 0 H VAL A 3 -5.231 -11.714 -1.861 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.344 -9.488 -1.328 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.115 -12.303 -2.380 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -0.673 -11.890 -2.579 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.611 -10.864 -3.691 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.942 -10.173 -2.193 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.576 -12.544 -0.407 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.901 -10.850 0.032 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.211 -12.053 0.096 1.00 10.00 H new ATOM 41 N VAL A 4 -3.982 -8.441 -3.549 1.00 10.00 N ATOM 42 CA VAL A 4 -4.237 -7.832 -4.854 1.00 10.00 C ATOM 43 C VAL A 4 -2.909 -7.397 -5.502 1.00 10.00 C ATOM 44 O VAL A 4 -2.254 -6.463 -5.045 1.00 10.00 O ATOM 45 CB VAL A 4 -5.257 -6.687 -4.712 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.594 -6.096 -6.087 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.559 -7.166 -4.054 1.00 10.00 C ATOM 0 H VAL A 4 -3.867 -7.768 -2.791 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.685 -8.561 -5.529 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.798 -5.928 -4.078 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.316 -5.288 -5.969 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.686 -5.707 -6.548 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.019 -6.873 -6.723 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.254 -6.330 -3.971 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.007 -7.951 -4.663 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.342 -7.557 -3.060 1.00 10.00 H new ATOM 57 N THR A 5 -2.494 -8.079 -6.571 1.00 10.00 N ATOM 58 CA THR A 5 -1.270 -7.742 -7.303 1.00 10.00 C ATOM 59 C THR A 5 -1.523 -6.717 -8.415 1.00 10.00 C ATOM 60 O THR A 5 -2.511 -6.814 -9.138 1.00 10.00 O ATOM 61 CB THR A 5 -0.578 -9.024 -7.805 1.00 10.00 C ATOM 62 OG1 THR A 5 0.346 -9.437 -6.825 1.00 10.00 O ATOM 63 CG2 THR A 5 0.224 -8.852 -9.094 1.00 10.00 C ATOM 0 H THR A 5 -2.996 -8.880 -6.954 1.00 10.00 H new ATOM 0 HA THR A 5 -0.582 -7.251 -6.615 1.00 10.00 H new ATOM 0 HB THR A 5 -1.379 -9.737 -8.000 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.932 -8.687 -6.592 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.675 -9.805 -9.372 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.438 -8.518 -9.893 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.008 -8.111 -8.939 1.00 10.00 H new ATOM 71 N TYR A 6 -0.615 -5.740 -8.544 1.00 10.00 N ATOM 72 CA TYR A 6 -0.630 -4.726 -9.600 1.00 10.00 C ATOM 73 C TYR A 6 0.599 -4.831 -10.502 1.00 10.00 C ATOM 74 O TYR A 6 1.720 -4.654 -10.034 1.00 10.00 O ATOM 75 CB TYR A 6 -0.700 -3.316 -9.010 1.00 10.00 C ATOM 76 CG TYR A 6 -2.121 -2.829 -8.831 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.943 -3.420 -7.854 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.653 -1.861 -9.700 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.267 -2.979 -7.689 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.984 -1.436 -9.544 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.793 -2.002 -8.546 1.00 10.00 C ATOM 82 OH TYR A 6 -6.126 -1.743 -8.539 1.00 10.00 O ATOM 0 H TYR A 6 0.168 -5.633 -7.900 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.521 -4.912 -10.199 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.192 -3.304 -8.046 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.163 -2.627 -9.662 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.556 -4.213 -7.231 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -2.041 -1.444 -10.486 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.880 -3.393 -6.902 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -4.385 -0.672 -10.194 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.326 -1.077 -7.849 1.00 10.00 H new ATOM 92 N GLU A 7 0.382 -5.100 -11.786 1.00 10.00 N ATOM 93 CA GLU A 7 1.425 -5.379 -12.764 1.00 10.00 C ATOM 94 C GLU A 7 1.745 -4.145 -13.623 1.00 10.00 C ATOM 95 O GLU A 7 1.125 -3.928 -14.660 1.00 10.00 O ATOM 96 CB GLU A 7 0.988 -6.606 -13.577 1.00 10.00 C ATOM 97 CG GLU A 7 0.417 -7.689 -12.650 1.00 10.00 C ATOM 98 CD GLU A 7 0.601 -9.096 -13.191 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.228 -9.507 -14.027 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.583 -9.725 -12.739 1.00 10.00 O ATOM 0 H GLU A 7 -0.556 -5.130 -12.186 1.00 10.00 H new ATOM 0 HA GLU A 7 2.367 -5.611 -12.268 1.00 10.00 H new ATOM 0 HB2 GLU A 7 0.237 -6.315 -14.311 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.838 -7.004 -14.131 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.899 -7.615 -11.675 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.646 -7.502 -12.495 1.00 10.00 H new ATOM 107 N ASN A 8 2.720 -3.336 -13.186 1.00 10.00 N ATOM 108 CA ASN A 8 3.022 -2.044 -13.808 1.00 10.00 C ATOM 109 C ASN A 8 3.999 -2.172 -14.987 1.00 10.00 C ATOM 110 O ASN A 8 3.603 -2.117 -16.147 1.00 10.00 O ATOM 111 CB ASN A 8 3.495 -1.033 -12.746 1.00 10.00 C ATOM 112 CG ASN A 8 4.553 -1.562 -11.790 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.747 -1.463 -12.060 1.00 10.00 O ATOM 114 ND2 ASN A 8 4.133 -2.192 -10.704 1.00 10.00 N ATOM 0 H ASN A 8 3.320 -3.561 -12.392 1.00 10.00 H new ATOM 0 HA ASN A 8 2.100 -1.657 -14.242 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.891 -0.153 -13.253 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.632 -0.706 -12.166 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.808 -2.612 -10.065 1.00 10.00 H new ATOM 0 HD22 ASN A 8 3.134 -2.258 -10.507 1.00 10.00 H new ATOM 121 N ALA A 9 5.291 -2.306 -14.680 1.00 10.00 N ATOM 122 CA ALA A 9 6.396 -2.246 -15.626 1.00 10.00 C ATOM 123 C ALA A 9 7.705 -2.607 -14.914 1.00 10.00 C ATOM 124 O ALA A 9 8.459 -3.458 -15.376 1.00 10.00 O ATOM 125 CB ALA A 9 6.487 -0.832 -16.208 1.00 10.00 C ATOM 0 H ALA A 9 5.604 -2.466 -13.723 1.00 10.00 H new ATOM 0 HA ALA A 9 6.226 -2.958 -16.434 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.313 -0.783 -16.917 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.556 -0.588 -16.719 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.657 -0.117 -15.403 1.00 10.00 H new ATOM 131 N ALA A 10 7.957 -1.981 -13.759 1.00 10.00 N ATOM 132 CA ALA A 10 9.190 -2.156 -12.990 1.00 10.00 C ATOM 133 C ALA A 10 9.079 -3.241 -11.903 1.00 10.00 C ATOM 134 O ALA A 10 9.739 -3.145 -10.871 1.00 10.00 O ATOM 135 CB ALA A 10 9.580 -0.799 -12.395 1.00 10.00 C ATOM 0 H ALA A 10 7.300 -1.330 -13.328 1.00 10.00 H new ATOM 0 HA ALA A 10 9.970 -2.512 -13.663 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.498 -0.906 -11.817 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.739 -0.081 -13.200 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.781 -0.444 -11.745 1.00 10.00 H new ATOM 141 N GLY A 11 8.245 -4.264 -12.128 1.00 10.00 N ATOM 142 CA GLY A 11 7.947 -5.313 -11.153 1.00 10.00 C ATOM 143 C GLY A 11 6.489 -5.214 -10.727 1.00 10.00 C ATOM 144 O GLY A 11 6.017 -4.121 -10.419 1.00 10.00 O ATOM 0 H GLY A 11 7.750 -4.385 -13.012 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.144 -6.293 -11.587 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.598 -5.212 -10.285 1.00 10.00 H new ATOM 148 N ASN A 12 5.743 -6.320 -10.697 1.00 10.00 N ATOM 149 CA ASN A 12 4.404 -6.235 -10.127 1.00 10.00 C ATOM 150 C ASN A 12 4.472 -6.062 -8.607 1.00 10.00 C ATOM 151 O ASN A 12 5.527 -6.258 -8.006 1.00 10.00 O ATOM 152 CB ASN A 12 3.483 -7.371 -10.576 1.00 10.00 C ATOM 153 CG ASN A 12 3.884 -8.759 -10.093 1.00 10.00 C ATOM 154 OD1 ASN A 12 4.726 -8.919 -9.222 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.305 -9.797 -10.675 1.00 10.00 N ATOM 0 H ASN A 12 6.025 -7.238 -11.041 1.00 10.00 H new ATOM 0 HA ASN A 12 3.933 -5.338 -10.529 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.473 -7.159 -10.225 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.447 -7.379 -11.665 1.00 10.00 H new ATOM 0 HD21 ASN A 12 3.560 -10.745 -10.398 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.604 -9.649 -11.401 1.00 10.00 H new ATOM 162 N VAL A 13 3.364 -5.628 -8.006 1.00 10.00 N ATOM 163 CA VAL A 13 3.306 -5.271 -6.592 1.00 10.00 C ATOM 164 C VAL A 13 2.334 -6.170 -5.811 1.00 10.00 C ATOM 165 O VAL A 13 1.789 -7.129 -6.357 1.00 10.00 O ATOM 166 CB VAL A 13 3.059 -3.747 -6.444 1.00 10.00 C ATOM 167 CG1 VAL A 13 3.564 -2.920 -7.632 1.00 10.00 C ATOM 168 CG2 VAL A 13 1.613 -3.370 -6.117 1.00 10.00 C ATOM 0 H VAL A 13 2.475 -5.514 -8.493 1.00 10.00 H new ATOM 0 HA VAL A 13 4.270 -5.467 -6.123 1.00 10.00 H new ATOM 0 HB VAL A 13 3.663 -3.487 -5.575 1.00 10.00 H new ATOM 0 HG11 VAL A 13 3.356 -1.865 -7.456 1.00 10.00 H new ATOM 0 HG12 VAL A 13 4.639 -3.064 -7.745 1.00 10.00 H new ATOM 0 HG13 VAL A 13 3.057 -3.243 -8.542 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.530 -2.287 -6.031 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.956 -3.722 -6.912 1.00 10.00 H new ATOM 0 HG23 VAL A 13 1.321 -3.832 -5.174 1.00 10.00 H new ATOM 178 N THR A 14 2.102 -5.831 -4.541 1.00 10.00 N ATOM 179 CA THR A 14 1.247 -6.544 -3.602 1.00 10.00 C ATOM 180 C THR A 14 0.505 -5.518 -2.743 1.00 10.00 C ATOM 181 O THR A 14 0.973 -5.096 -1.686 1.00 10.00 O ATOM 182 CB THR A 14 2.092 -7.523 -2.768 1.00 10.00 C ATOM 183 OG1 THR A 14 2.509 -8.590 -3.591 1.00 10.00 O ATOM 184 CG2 THR A 14 1.337 -8.123 -1.581 1.00 10.00 C ATOM 0 H THR A 14 2.531 -5.006 -4.122 1.00 10.00 H new ATOM 0 HA THR A 14 0.502 -7.143 -4.126 1.00 10.00 H new ATOM 0 HB THR A 14 2.931 -6.948 -2.376 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.049 -9.216 -3.066 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.994 -8.803 -1.038 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.012 -7.324 -0.915 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.466 -8.670 -1.943 1.00 10.00 H new ATOM 192 N PHE A 15 -0.673 -5.110 -3.214 1.00 10.00 N ATOM 193 CA PHE A 15 -1.700 -4.533 -2.353 1.00 10.00 C ATOM 194 C PHE A 15 -2.229 -5.658 -1.452 1.00 10.00 C ATOM 195 O PHE A 15 -3.219 -6.320 -1.772 1.00 10.00 O ATOM 196 CB PHE A 15 -2.862 -3.923 -3.157 1.00 10.00 C ATOM 197 CG PHE A 15 -2.676 -2.614 -3.900 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.551 -2.421 -4.720 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.816 -1.809 -4.102 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.584 -1.482 -5.763 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.853 -0.873 -5.149 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.740 -0.723 -5.992 1.00 10.00 C ATOM 0 H PHE A 15 -0.939 -5.170 -4.197 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.262 -3.722 -1.771 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.173 -4.668 -3.889 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.695 -3.787 -2.467 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.655 -2.999 -4.547 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.668 -1.913 -3.446 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.716 -1.344 -6.391 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.735 -0.270 -5.305 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.775 -0.024 -6.815 1.00 10.00 H new ATOM 212 N ASP A 16 -1.570 -5.859 -0.312 1.00 10.00 N ATOM 213 CA ASP A 16 -2.096 -6.666 0.772 1.00 10.00 C ATOM 214 C ASP A 16 -3.418 -6.046 1.231 1.00 10.00 C ATOM 215 O ASP A 16 -3.433 -5.013 1.902 1.00 10.00 O ATOM 216 CB ASP A 16 -1.077 -6.647 1.919 1.00 10.00 C ATOM 217 CG ASP A 16 -0.152 -7.840 2.027 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.142 -8.676 1.102 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.493 -7.895 3.098 1.00 10.00 O ATOM 0 H ASP A 16 -0.651 -5.461 -0.120 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.268 -7.695 0.455 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.465 -5.751 1.816 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -1.623 -6.554 2.858 1.00 10.00 H new ATOM 224 N HIS A 17 -4.533 -6.689 0.892 1.00 10.00 N ATOM 225 CA HIS A 17 -5.798 -6.388 1.529 1.00 10.00 C ATOM 226 C HIS A 17 -5.858 -7.164 2.845 1.00 10.00 C ATOM 227 O HIS A 17 -5.899 -6.575 3.923 1.00 10.00 O ATOM 228 CB HIS A 17 -6.957 -6.724 0.576 1.00 10.00 C ATOM 229 CG HIS A 17 -7.818 -5.537 0.266 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.112 -5.050 -0.982 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.264 -4.630 1.182 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.697 -3.857 -0.808 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.784 -3.534 0.496 1.00 10.00 N ATOM 0 H HIS A 17 -4.579 -7.419 0.181 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.890 -5.326 1.755 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.552 -7.126 -0.353 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.572 -7.507 1.021 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -7.922 -5.509 -1.873 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.221 -4.742 2.255 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.054 -3.232 -1.613 1.00 10.00 H new ATOM 241 N LYS A 18 -5.827 -8.498 2.753 1.00 10.00 N ATOM 242 CA LYS A 18 -6.050 -9.367 3.900 1.00 10.00 C ATOM 243 C LYS A 18 -4.873 -9.315 4.879 1.00 10.00 C ATOM 244 O LYS A 18 -5.040 -8.882 6.012 1.00 10.00 O ATOM 245 CB LYS A 18 -6.368 -10.796 3.439 1.00 10.00 C ATOM 246 CG LYS A 18 -7.114 -11.630 4.497 1.00 10.00 C ATOM 247 CD LYS A 18 -8.620 -11.292 4.557 1.00 10.00 C ATOM 248 CE LYS A 18 -9.044 -10.505 5.807 1.00 10.00 C ATOM 249 NZ LYS A 18 -9.067 -11.357 7.014 1.00 10.00 N ATOM 0 H LYS A 18 -5.647 -8.998 1.882 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.919 -9.001 4.446 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.971 -10.751 2.532 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.438 -11.301 3.179 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -6.991 -12.690 4.274 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -6.666 -11.456 5.475 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -8.886 -10.715 3.671 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -9.190 -12.220 4.516 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.357 -9.674 5.963 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.033 -10.075 5.647 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.715 -10.946 7.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -9.393 -12.311 6.759 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.110 -11.414 7.417 1.00 10.00 H new ATOM 263 N ALA A 19 -3.680 -9.742 4.453 1.00 10.00 N ATOM 264 CA ALA A 19 -2.517 -9.914 5.325 1.00 10.00 C ATOM 265 C ALA A 19 -2.124 -8.635 6.073 1.00 10.00 C ATOM 266 O ALA A 19 -1.793 -8.685 7.256 1.00 10.00 O ATOM 267 CB ALA A 19 -1.353 -10.428 4.481 1.00 10.00 C ATOM 0 H ALA A 19 -3.494 -9.981 3.479 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.780 -10.635 6.099 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.476 -10.563 5.114 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.624 -11.382 4.030 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.126 -9.707 3.696 1.00 10.00 H new ATOM 273 N HIS A 20 -2.203 -7.478 5.412 1.00 10.00 N ATOM 274 CA HIS A 20 -2.127 -6.206 6.117 1.00 10.00 C ATOM 275 C HIS A 20 -3.316 -6.067 7.092 1.00 10.00 C ATOM 276 O HIS A 20 -3.096 -5.935 8.294 1.00 10.00 O ATOM 277 CB HIS A 20 -2.000 -5.027 5.138 1.00 10.00 C ATOM 278 CG HIS A 20 -0.586 -4.683 4.700 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.402 -5.585 4.377 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.057 -3.425 4.512 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.489 -4.883 4.023 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.274 -3.555 4.084 1.00 10.00 N ATOM 0 H HIS A 20 -2.318 -7.400 4.402 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.218 -6.185 6.718 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.591 -5.251 4.250 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.442 -4.145 5.601 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.322 -6.602 4.402 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.580 -2.493 4.668 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.426 -5.330 3.724 1.00 10.00 H new ATOM 290 N ALA A 21 -4.571 -6.124 6.616 1.00 10.00 N ATOM 291 CA ALA A 21 -5.769 -5.982 7.455 1.00 10.00 C ATOM 292 C ALA A 21 -5.749 -6.814 8.742 1.00 10.00 C ATOM 293 O ALA A 21 -6.168 -6.316 9.784 1.00 10.00 O ATOM 294 CB ALA A 21 -7.030 -6.334 6.672 1.00 10.00 C ATOM 0 H ALA A 21 -4.783 -6.271 5.629 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.771 -4.933 7.750 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.902 -6.221 7.316 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.123 -5.668 5.814 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.967 -7.365 6.325 1.00 10.00 H new ATOM 300 N GLU A 22 -5.263 -8.057 8.671 1.00 10.00 N ATOM 301 CA GLU A 22 -5.064 -8.939 9.818 1.00 10.00 C ATOM 302 C GLU A 22 -4.452 -8.201 11.028 1.00 10.00 C ATOM 303 O GLU A 22 -4.852 -8.429 12.167 1.00 10.00 O ATOM 304 CB GLU A 22 -4.185 -10.125 9.391 1.00 10.00 C ATOM 305 CG GLU A 22 -4.872 -11.134 8.450 1.00 10.00 C ATOM 306 CD GLU A 22 -6.056 -11.865 9.064 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.021 -12.134 10.280 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.994 -12.135 8.283 1.00 10.00 O ATOM 0 H GLU A 22 -4.990 -8.487 7.787 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.038 -9.302 10.145 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.293 -9.739 8.898 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -3.852 -10.652 10.285 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.210 -10.607 7.558 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.135 -11.869 8.126 1.00 10.00 H new ATOM 315 N LYS A 23 -3.502 -7.289 10.779 1.00 10.00 N ATOM 316 CA LYS A 23 -2.984 -6.360 11.773 1.00 10.00 C ATOM 317 C LYS A 23 -3.698 -4.998 11.727 1.00 10.00 C ATOM 318 O LYS A 23 -4.051 -4.436 12.760 1.00 10.00 O ATOM 319 CB LYS A 23 -1.488 -6.168 11.512 1.00 10.00 C ATOM 320 CG LYS A 23 -0.684 -7.424 11.872 1.00 10.00 C ATOM 321 CD LYS A 23 0.819 -7.120 11.981 1.00 10.00 C ATOM 322 CE LYS A 23 1.156 -6.412 13.305 1.00 10.00 C ATOM 323 NZ LYS A 23 2.597 -6.098 13.407 1.00 10.00 N ATOM 0 H LYS A 23 -3.069 -7.180 9.862 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.161 -6.778 12.764 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.330 -5.923 10.462 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.122 -5.322 12.095 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.044 -7.829 12.818 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.847 -8.191 11.115 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.385 -8.049 11.909 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.126 -6.494 11.144 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.577 -5.492 13.383 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.862 -7.046 14.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.785 -5.622 14.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.148 -6.978 13.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.872 -5.473 12.623 1.00 10.00 H new ATOM 337 N LEU A 24 -3.836 -4.430 10.528 1.00 10.00 N ATOM 338 CA LEU A 24 -4.186 -3.032 10.306 1.00 10.00 C ATOM 339 C LEU A 24 -5.665 -2.681 10.551 1.00 10.00 C ATOM 340 O LEU A 24 -6.000 -1.508 10.698 1.00 10.00 O ATOM 341 CB LEU A 24 -3.763 -2.639 8.885 1.00 10.00 C ATOM 342 CG LEU A 24 -2.262 -2.733 8.562 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.007 -1.878 7.313 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.372 -2.264 9.718 1.00 10.00 C ATOM 0 H LEU A 24 -3.703 -4.949 9.660 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.644 -2.454 11.055 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.303 -3.272 8.181 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.087 -1.614 8.704 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.003 -3.778 8.392 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.949 -1.920 7.053 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.601 -2.261 6.483 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.290 -0.845 7.515 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.324 -2.354 9.430 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.596 -1.223 9.951 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.561 -2.881 10.596 1.00 10.00 H new ATOM 356 N GLY A 25 -6.569 -3.662 10.577 1.00 10.00 N ATOM 357 CA GLY A 25 -7.957 -3.450 10.986 1.00 10.00 C ATOM 358 C GLY A 25 -8.777 -2.514 10.094 1.00 10.00 C ATOM 359 O GLY A 25 -9.670 -1.835 10.586 1.00 10.00 O ATOM 0 H GLY A 25 -6.359 -4.625 10.315 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.457 -4.418 11.023 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.961 -3.051 12.000 1.00 10.00 H new ATOM 363 N CYS A 26 -8.488 -2.503 8.787 1.00 10.00 N ATOM 364 CA CYS A 26 -9.138 -1.712 7.735 1.00 10.00 C ATOM 365 C CYS A 26 -8.935 -0.197 7.888 1.00 10.00 C ATOM 366 O CYS A 26 -8.404 0.435 6.975 1.00 10.00 O ATOM 367 CB CYS A 26 -10.603 -2.040 7.598 1.00 10.00 C ATOM 368 SG CYS A 26 -11.008 -3.815 7.591 1.00 10.00 S ATOM 0 H CYS A 26 -7.742 -3.087 8.410 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.634 -2.004 6.814 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.143 -1.565 8.417 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.972 -1.597 6.673 1.00 10.00 H new ATOM 373 N ASP A 27 -9.352 0.373 9.025 1.00 10.00 N ATOM 374 CA ASP A 27 -9.333 1.791 9.367 1.00 10.00 C ATOM 375 C ASP A 27 -8.013 2.448 8.957 1.00 10.00 C ATOM 376 O ASP A 27 -7.981 3.499 8.320 1.00 10.00 O ATOM 377 CB ASP A 27 -9.561 1.933 10.881 1.00 10.00 C ATOM 378 CG ASP A 27 -10.946 1.508 11.347 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.891 1.621 10.537 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.033 1.106 12.526 1.00 10.00 O ATOM 0 H ASP A 27 -9.739 -0.191 9.782 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.127 2.301 8.821 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.815 1.337 11.407 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.397 2.972 11.166 1.00 10.00 H new ATOM 385 N ALA A 28 -6.914 1.763 9.280 1.00 10.00 N ATOM 386 CA ALA A 28 -5.554 2.135 8.904 1.00 10.00 C ATOM 387 C ALA A 28 -5.385 2.618 7.450 1.00 10.00 C ATOM 388 O ALA A 28 -4.543 3.474 7.186 1.00 10.00 O ATOM 389 CB ALA A 28 -4.704 0.895 9.117 1.00 10.00 C ATOM 0 H ALA A 28 -6.951 0.905 9.830 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.259 2.987 9.517 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.670 1.113 8.851 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.754 0.595 10.164 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.077 0.086 8.490 1.00 10.00 H new ATOM 395 N CYS A 29 -6.148 2.048 6.512 1.00 10.00 N ATOM 396 CA CYS A 29 -6.097 2.377 5.087 1.00 10.00 C ATOM 397 C CYS A 29 -7.374 3.086 4.602 1.00 10.00 C ATOM 398 O CYS A 29 -7.510 3.352 3.409 1.00 10.00 O ATOM 399 CB CYS A 29 -5.921 1.101 4.306 1.00 10.00 C ATOM 400 SG CYS A 29 -4.270 0.333 4.474 1.00 10.00 S ATOM 0 H CYS A 29 -6.835 1.327 6.730 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.262 3.060 4.930 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.676 0.384 4.629 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.107 1.306 3.252 1.00 10.00 H new ATOM 405 N HIS A 30 -8.339 3.345 5.489 1.00 10.00 N ATOM 406 CA HIS A 30 -9.707 3.643 5.097 1.00 10.00 C ATOM 407 C HIS A 30 -10.446 4.464 6.160 1.00 10.00 C ATOM 408 O HIS A 30 -10.806 3.949 7.216 1.00 10.00 O ATOM 409 CB HIS A 30 -10.420 2.304 4.868 1.00 10.00 C ATOM 410 CG HIS A 30 -10.075 1.593 3.594 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.279 2.068 2.325 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.763 0.272 3.485 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.079 1.048 1.467 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.753 -0.076 2.125 1.00 10.00 N ATOM 0 H HIS A 30 -8.187 3.352 6.498 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.700 4.247 4.190 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.191 1.644 5.704 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.496 2.479 4.885 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.536 3.023 2.075 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.557 -0.397 4.308 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.169 1.125 0.393 1.00 10.00 H new ATOM 422 N GLU A 31 -10.759 5.721 5.853 1.00 10.00 N ATOM 423 CA GLU A 31 -11.464 6.623 6.745 1.00 10.00 C ATOM 424 C GLU A 31 -12.953 6.250 6.921 1.00 10.00 C ATOM 425 O GLU A 31 -13.861 6.922 6.433 1.00 10.00 O ATOM 426 CB GLU A 31 -11.217 8.083 6.319 1.00 10.00 C ATOM 427 CG GLU A 31 -11.545 8.415 4.848 1.00 10.00 C ATOM 428 CD GLU A 31 -10.427 8.091 3.864 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.343 6.903 3.478 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.673 9.029 3.530 1.00 10.00 O ATOM 0 H GLU A 31 -10.522 6.145 4.956 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.054 6.514 7.749 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.810 8.735 6.960 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -10.170 8.323 6.502 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -12.440 7.866 4.555 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -11.783 9.476 4.772 1.00 10.00 H new ATOM 437 N GLY A 32 -13.224 5.160 7.644 1.00 10.00 N ATOM 438 CA GLY A 32 -14.575 4.749 8.028 1.00 10.00 C ATOM 439 C GLY A 32 -15.344 4.046 6.902 1.00 10.00 C ATOM 440 O GLY A 32 -15.873 2.957 7.103 1.00 10.00 O ATOM 0 H GLY A 32 -12.498 4.529 7.984 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.513 4.081 8.887 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.136 5.627 8.347 1.00 10.00 H new ATOM 444 N THR A 33 -15.422 4.665 5.720 1.00 10.00 N ATOM 445 CA THR A 33 -16.078 4.117 4.528 1.00 10.00 C ATOM 446 C THR A 33 -15.032 3.515 3.574 1.00 10.00 C ATOM 447 O THR A 33 -14.407 4.266 2.821 1.00 10.00 O ATOM 448 CB THR A 33 -16.862 5.235 3.820 1.00 10.00 C ATOM 449 OG1 THR A 33 -16.008 6.318 3.521 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.003 5.760 4.693 1.00 10.00 C ATOM 0 H THR A 33 -15.019 5.588 5.561 1.00 10.00 H new ATOM 0 HA THR A 33 -16.766 3.326 4.827 1.00 10.00 H new ATOM 0 HB THR A 33 -17.274 4.807 2.906 1.00 10.00 H new ATOM 0 HG1 THR A 33 -15.156 5.977 3.176 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.535 6.549 4.161 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.692 4.946 4.919 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.596 6.160 5.622 1.00 10.00 H new ATOM 458 N PRO A 34 -14.804 2.190 3.572 1.00 10.00 N ATOM 459 CA PRO A 34 -13.648 1.600 2.912 1.00 10.00 C ATOM 460 C PRO A 34 -13.870 1.419 1.405 1.00 10.00 C ATOM 461 O PRO A 34 -13.913 0.302 0.897 1.00 10.00 O ATOM 462 CB PRO A 34 -13.429 0.277 3.649 1.00 10.00 C ATOM 463 CG PRO A 34 -14.862 -0.161 3.946 1.00 10.00 C ATOM 464 CD PRO A 34 -15.521 1.165 4.322 1.00 10.00 C ATOM 0 HA PRO A 34 -12.767 2.239 2.965 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -12.899 -0.450 3.034 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.845 0.409 4.560 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.336 -0.623 3.080 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.908 -0.886 4.759 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.580 1.162 4.066 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.453 1.346 5.395 1.00 10.00 H new ATOM 472 N ALA A 35 -14.009 2.527 0.675 1.00 10.00 N ATOM 473 CA ALA A 35 -14.219 2.511 -0.770 1.00 10.00 C ATOM 474 C ALA A 35 -12.904 2.462 -1.568 1.00 10.00 C ATOM 475 O ALA A 35 -11.805 2.520 -1.015 1.00 10.00 O ATOM 476 CB ALA A 35 -15.080 3.718 -1.147 1.00 10.00 C ATOM 0 H ALA A 35 -13.979 3.465 1.074 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.740 1.592 -1.039 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -15.248 3.723 -2.224 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -16.038 3.657 -0.631 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -14.568 4.635 -0.855 1.00 10.00 H new ATOM 482 N LYS A 36 -13.021 2.332 -2.895 1.00 10.00 N ATOM 483 CA LYS A 36 -11.875 2.126 -3.771 1.00 10.00 C ATOM 484 C LYS A 36 -11.042 3.403 -4.022 1.00 10.00 C ATOM 485 O LYS A 36 -11.362 4.225 -4.883 1.00 10.00 O ATOM 486 CB LYS A 36 -12.310 1.400 -5.052 1.00 10.00 C ATOM 487 CG LYS A 36 -13.234 2.221 -5.970 1.00 10.00 C ATOM 488 CD LYS A 36 -12.633 2.405 -7.379 1.00 10.00 C ATOM 489 CE LYS A 36 -12.929 3.798 -7.948 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.995 4.801 -7.389 1.00 10.00 N ATOM 0 H LYS A 36 -13.915 2.367 -3.386 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.175 1.473 -3.249 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.420 1.116 -5.614 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.820 0.477 -4.776 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.201 1.724 -6.050 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.415 3.198 -5.522 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.555 2.251 -7.337 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.037 1.646 -8.048 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.842 3.779 -9.034 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.956 4.081 -7.715 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.375 5.756 -7.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.882 4.639 -6.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.071 4.714 -7.858 1.00 10.00 H new ATOM 504 N ILE A 37 -9.954 3.567 -3.271 1.00 10.00 N ATOM 505 CA ILE A 37 -8.996 4.667 -3.421 1.00 10.00 C ATOM 506 C ILE A 37 -8.166 4.484 -4.706 1.00 10.00 C ATOM 507 O ILE A 37 -7.723 3.380 -4.998 1.00 10.00 O ATOM 508 CB ILE A 37 -8.094 4.721 -2.171 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.930 5.004 -0.905 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.005 5.796 -2.326 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.199 4.618 0.384 1.00 10.00 C ATOM 0 H ILE A 37 -9.706 2.922 -2.521 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.530 5.613 -3.510 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.614 3.748 -2.067 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.183 6.064 -0.871 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.869 4.454 -0.964 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.382 5.814 -1.432 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.387 5.566 -3.194 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.473 6.771 -2.462 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.834 4.839 1.242 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.969 3.553 0.367 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.273 5.188 0.462 1.00 10.00 H new ATOM 523 N ALA A 38 -7.931 5.549 -5.482 1.00 10.00 N ATOM 524 CA ALA A 38 -7.090 5.454 -6.678 1.00 10.00 C ATOM 525 C ALA A 38 -5.595 5.380 -6.335 1.00 10.00 C ATOM 526 O ALA A 38 -5.022 6.323 -5.785 1.00 10.00 O ATOM 527 CB ALA A 38 -7.370 6.618 -7.624 1.00 10.00 C ATOM 0 H ALA A 38 -8.309 6.480 -5.304 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.348 4.522 -7.180 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.736 6.530 -8.506 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.417 6.598 -7.926 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.157 7.559 -7.116 1.00 10.00 H new ATOM 533 N ILE A 39 -4.981 4.235 -6.641 1.00 10.00 N ATOM 534 CA ILE A 39 -3.577 3.952 -6.390 1.00 10.00 C ATOM 535 C ILE A 39 -2.759 3.893 -7.679 1.00 10.00 C ATOM 536 O ILE A 39 -2.850 2.940 -8.449 1.00 10.00 O ATOM 537 CB ILE A 39 -3.460 2.646 -5.612 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.228 2.726 -4.291 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.987 2.298 -5.363 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.730 3.776 -3.294 1.00 10.00 C ATOM 0 H ILE A 39 -5.469 3.457 -7.085 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.164 4.770 -5.799 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.904 1.852 -6.212 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.275 2.931 -4.513 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.189 1.749 -3.810 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.923 1.363 -4.807 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.473 2.188 -6.318 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.517 3.096 -4.788 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.346 3.745 -2.395 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.693 3.565 -3.031 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.796 4.766 -3.745 1.00 10.00 H new ATOM 552 N ASP A 40 -1.918 4.909 -7.859 1.00 10.00 N ATOM 553 CA ASP A 40 -1.132 5.130 -9.061 1.00 10.00 C ATOM 554 C ASP A 40 0.295 5.571 -8.709 1.00 10.00 C ATOM 555 O ASP A 40 0.695 5.669 -7.541 1.00 10.00 O ATOM 556 CB ASP A 40 -1.820 6.229 -9.903 1.00 10.00 C ATOM 557 CG ASP A 40 -3.343 6.234 -9.862 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.876 6.767 -8.863 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.942 5.768 -10.851 1.00 10.00 O ATOM 0 H ASP A 40 -1.763 5.622 -7.146 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.070 4.199 -9.624 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.462 7.200 -9.562 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.503 6.119 -10.940 1.00 10.00 H new ATOM 564 N LYS A 41 1.036 5.953 -9.751 1.00 10.00 N ATOM 565 CA LYS A 41 2.334 6.608 -9.674 1.00 10.00 C ATOM 566 C LYS A 41 2.216 8.066 -9.192 1.00 10.00 C ATOM 567 O LYS A 41 2.632 9.012 -9.857 1.00 10.00 O ATOM 568 CB LYS A 41 2.997 6.486 -11.036 1.00 10.00 C ATOM 569 CG LYS A 41 4.492 6.817 -10.980 1.00 10.00 C ATOM 570 CD LYS A 41 4.960 6.982 -12.426 1.00 10.00 C ATOM 571 CE LYS A 41 6.479 7.142 -12.546 1.00 10.00 C ATOM 572 NZ LYS A 41 6.898 6.916 -13.947 1.00 10.00 N ATOM 0 H LYS A 41 0.730 5.805 -10.713 1.00 10.00 H new ATOM 0 HA LYS A 41 2.959 6.119 -8.927 1.00 10.00 H new ATOM 0 HB2 LYS A 41 2.864 5.472 -11.414 1.00 10.00 H new ATOM 0 HB3 LYS A 41 2.504 7.156 -11.740 1.00 10.00 H new ATOM 0 HG2 LYS A 41 4.665 7.730 -10.411 1.00 10.00 H new ATOM 0 HG3 LYS A 41 5.046 6.021 -10.482 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.644 6.115 -13.006 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.472 7.853 -12.863 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.775 8.141 -12.225 1.00 10.00 H new ATOM 0 HE3 LYS A 41 6.982 6.433 -11.888 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 7.925 7.059 -14.030 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 6.660 5.943 -14.228 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 6.404 7.587 -14.570 1.00 10.00 H new ATOM 586 N LYS A 42 1.624 8.228 -8.012 1.00 10.00 N ATOM 587 CA LYS A 42 1.258 9.490 -7.391 1.00 10.00 C ATOM 588 C LYS A 42 0.920 9.159 -5.935 1.00 10.00 C ATOM 589 O LYS A 42 1.751 9.309 -5.038 1.00 10.00 O ATOM 590 CB LYS A 42 0.079 10.093 -8.183 1.00 10.00 C ATOM 591 CG LYS A 42 -0.505 11.379 -7.580 1.00 10.00 C ATOM 592 CD LYS A 42 -1.858 11.731 -8.225 1.00 10.00 C ATOM 593 CE LYS A 42 -1.737 12.067 -9.719 1.00 10.00 C ATOM 594 NZ LYS A 42 -3.057 12.379 -10.313 1.00 10.00 N ATOM 0 H LYS A 42 1.373 7.429 -7.430 1.00 10.00 H new ATOM 0 HA LYS A 42 2.050 10.239 -7.402 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.411 10.302 -9.200 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.713 9.348 -8.253 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.633 11.254 -6.505 1.00 10.00 H new ATOM 0 HG3 LYS A 42 0.195 12.202 -7.724 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -2.544 10.893 -8.100 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.295 12.581 -7.701 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.068 12.918 -9.849 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -1.289 11.226 -10.247 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.940 12.601 -11.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.687 11.558 -10.210 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -3.473 13.197 -9.824 1.00 10.00 H new ATOM 608 N SER A 43 -0.275 8.600 -5.720 1.00 10.00 N ATOM 609 CA SER A 43 -0.772 8.141 -4.436 1.00 10.00 C ATOM 610 C SER A 43 0.264 7.256 -3.739 1.00 10.00 C ATOM 611 O SER A 43 0.685 7.563 -2.625 1.00 10.00 O ATOM 612 CB SER A 43 -2.098 7.396 -4.670 1.00 10.00 C ATOM 613 OG SER A 43 -2.737 7.906 -5.831 1.00 10.00 O ATOM 0 H SER A 43 -0.945 8.452 -6.475 1.00 10.00 H new ATOM 0 HA SER A 43 -0.951 8.989 -3.775 1.00 10.00 H new ATOM 0 HB2 SER A 43 -1.911 6.329 -4.786 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.749 7.513 -3.804 1.00 10.00 H new ATOM 0 HG SER A 43 -2.490 7.360 -6.607 1.00 10.00 H new ATOM 619 N ALA A 44 0.725 6.203 -4.432 1.00 10.00 N ATOM 620 CA ALA A 44 1.620 5.208 -3.831 1.00 10.00 C ATOM 621 C ALA A 44 3.045 5.728 -3.573 1.00 10.00 C ATOM 622 O ALA A 44 3.870 5.012 -3.006 1.00 10.00 O ATOM 623 CB ALA A 44 1.643 3.948 -4.699 1.00 10.00 C ATOM 0 H ALA A 44 0.492 6.021 -5.408 1.00 10.00 H new ATOM 0 HA ALA A 44 1.217 4.973 -2.846 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.308 3.210 -4.251 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.637 3.535 -4.768 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.001 4.200 -5.697 1.00 10.00 H new ATOM 629 N HIS A 45 3.353 6.950 -4.028 1.00 10.00 N ATOM 630 CA HIS A 45 4.701 7.516 -4.010 1.00 10.00 C ATOM 631 C HIS A 45 4.788 8.779 -3.144 1.00 10.00 C ATOM 632 O HIS A 45 5.863 9.087 -2.633 1.00 10.00 O ATOM 633 CB HIS A 45 5.175 7.743 -5.452 1.00 10.00 C ATOM 634 CG HIS A 45 5.097 6.475 -6.262 1.00 10.00 C ATOM 635 ND1 HIS A 45 3.931 5.924 -6.719 1.00 10.00 N ATOM 636 CD2 HIS A 45 6.072 5.519 -6.384 1.00 10.00 C ATOM 637 CE1 HIS A 45 4.204 4.677 -7.123 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.499 4.363 -6.938 1.00 10.00 N ATOM 0 H HIS A 45 2.657 7.581 -4.425 1.00 10.00 H new ATOM 0 HA HIS A 45 5.379 6.804 -3.538 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.563 8.514 -5.921 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.201 8.110 -5.446 1.00 10.00 H new ATOM 0 HD1 HIS A 45 3.019 6.380 -6.747 1.00 10.00 H new ATOM 0 HD2 HIS A 45 7.108 5.636 -6.101 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.473 4.004 -7.546 1.00 10.00 H new ATOM 646 N LYS A 46 3.664 9.470 -2.919 1.00 10.00 N ATOM 647 CA LYS A 46 3.596 10.538 -1.925 1.00 10.00 C ATOM 648 C LYS A 46 3.495 9.957 -0.509 1.00 10.00 C ATOM 649 O LYS A 46 4.424 10.092 0.287 1.00 10.00 O ATOM 650 CB LYS A 46 2.395 11.462 -2.194 1.00 10.00 C ATOM 651 CG LYS A 46 2.707 12.590 -3.184 1.00 10.00 C ATOM 652 CD LYS A 46 1.590 13.643 -3.100 1.00 10.00 C ATOM 653 CE LYS A 46 1.949 14.908 -3.890 1.00 10.00 C ATOM 654 NZ LYS A 46 0.956 15.983 -3.666 1.00 10.00 N ATOM 0 H LYS A 46 2.789 9.305 -3.416 1.00 10.00 H new ATOM 0 HA LYS A 46 4.513 11.122 -2.003 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.567 10.867 -2.581 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.062 11.897 -1.252 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.671 13.042 -2.950 1.00 10.00 H new ATOM 0 HG3 LYS A 46 2.778 12.195 -4.197 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.662 13.222 -3.487 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.411 13.903 -2.057 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.938 15.256 -3.593 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.000 14.673 -4.953 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.226 16.825 -4.213 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.017 15.658 -3.972 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.926 16.223 -2.654 1.00 10.00 H new ATOM 668 N ASP A 47 2.334 9.371 -0.200 1.00 10.00 N ATOM 669 CA ASP A 47 1.877 9.183 1.171 1.00 10.00 C ATOM 670 C ASP A 47 1.140 7.849 1.367 1.00 10.00 C ATOM 671 O ASP A 47 1.526 7.052 2.224 1.00 10.00 O ATOM 672 CB ASP A 47 1.023 10.397 1.549 1.00 10.00 C ATOM 673 CG ASP A 47 0.686 10.366 3.027 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.271 9.646 3.368 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.439 11.014 3.786 1.00 10.00 O ATOM 0 H ASP A 47 1.685 9.014 -0.901 1.00 10.00 H new ATOM 0 HA ASP A 47 2.734 9.120 1.842 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.560 11.315 1.311 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.106 10.402 0.960 1.00 10.00 H new ATOM 680 N ALA A 48 0.125 7.563 0.542 1.00 10.00 N ATOM 681 CA ALA A 48 -0.508 6.247 0.528 1.00 10.00 C ATOM 682 C ALA A 48 0.562 5.159 0.352 1.00 10.00 C ATOM 683 O ALA A 48 1.450 5.290 -0.490 1.00 10.00 O ATOM 684 CB ALA A 48 -1.577 6.181 -0.564 1.00 10.00 C ATOM 0 H ALA A 48 -0.272 8.227 -0.122 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.009 6.073 1.480 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.039 5.194 -0.561 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.338 6.938 -0.375 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.117 6.364 -1.535 1.00 10.00 H new ATOM 690 N CYS A 49 0.545 4.147 1.224 1.00 10.00 N ATOM 691 CA CYS A 49 1.638 3.189 1.421 1.00 10.00 C ATOM 692 C CYS A 49 2.902 3.845 2.012 1.00 10.00 C ATOM 693 O CYS A 49 3.375 3.460 3.082 1.00 10.00 O ATOM 694 CB CYS A 49 1.966 2.393 0.171 1.00 10.00 C ATOM 695 SG CYS A 49 0.600 1.955 -0.969 1.00 10.00 S ATOM 0 H CYS A 49 -0.254 3.966 1.831 1.00 10.00 H new ATOM 0 HA CYS A 49 1.265 2.478 2.158 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.704 2.958 -0.398 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.446 1.466 0.485 1.00 10.00 H new ATOM 700 N LYS A 50 3.470 4.830 1.314 1.00 10.00 N ATOM 701 CA LYS A 50 4.720 5.481 1.680 1.00 10.00 C ATOM 702 C LYS A 50 4.823 5.938 3.141 1.00 10.00 C ATOM 703 O LYS A 50 5.765 5.551 3.819 1.00 10.00 O ATOM 704 CB LYS A 50 4.987 6.641 0.716 1.00 10.00 C ATOM 705 CG LYS A 50 5.679 6.156 -0.561 1.00 10.00 C ATOM 706 CD LYS A 50 7.214 6.260 -0.508 1.00 10.00 C ATOM 707 CE LYS A 50 7.833 5.447 0.642 1.00 10.00 C ATOM 708 NZ LYS A 50 9.311 5.440 0.597 1.00 10.00 N ATOM 0 H LYS A 50 3.060 5.203 0.458 1.00 10.00 H new ATOM 0 HA LYS A 50 5.494 4.718 1.590 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.046 7.127 0.460 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.609 7.389 1.207 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.400 5.118 -0.744 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.313 6.739 -1.406 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.629 5.914 -1.455 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.498 7.307 -0.399 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.503 5.862 1.595 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.466 4.422 0.597 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.680 4.880 1.392 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.629 5.020 -0.300 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.665 6.415 0.667 1.00 10.00 H new ATOM 722 N THR A 51 3.917 6.784 3.625 1.00 10.00 N ATOM 723 CA THR A 51 4.047 7.411 4.949 1.00 10.00 C ATOM 724 C THR A 51 3.907 6.402 6.097 1.00 10.00 C ATOM 725 O THR A 51 4.576 6.523 7.127 1.00 10.00 O ATOM 726 CB THR A 51 3.108 8.618 5.064 1.00 10.00 C ATOM 727 OG1 THR A 51 3.618 9.622 4.214 1.00 10.00 O ATOM 728 CG2 THR A 51 3.066 9.215 6.472 1.00 10.00 C ATOM 0 H THR A 51 3.075 7.057 3.118 1.00 10.00 H new ATOM 0 HA THR A 51 5.063 7.792 5.048 1.00 10.00 H new ATOM 0 HB THR A 51 2.103 8.284 4.806 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.960 10.343 4.128 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.384 10.065 6.487 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.720 8.460 7.177 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.065 9.546 6.757 1.00 10.00 H new ATOM 736 N CYS A 52 3.110 5.349 5.895 1.00 10.00 N ATOM 737 CA CYS A 52 3.221 4.140 6.710 1.00 10.00 C ATOM 738 C CYS A 52 4.640 3.584 6.639 1.00 10.00 C ATOM 739 O CYS A 52 5.323 3.485 7.658 1.00 10.00 O ATOM 740 CB CYS A 52 2.269 3.085 6.226 1.00 10.00 C ATOM 741 SG CYS A 52 0.737 3.123 7.171 1.00 10.00 S ATOM 0 H CYS A 52 2.385 5.311 5.178 1.00 10.00 H new ATOM 0 HA CYS A 52 2.977 4.407 7.738 1.00 10.00 H new ATOM 0 HB2 CYS A 52 2.053 3.241 5.169 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.732 2.102 6.315 1.00 10.00 H new ATOM 746 N HIS A 53 5.080 3.242 5.423 1.00 10.00 N ATOM 747 CA HIS A 53 6.398 2.699 5.130 1.00 10.00 C ATOM 748 C HIS A 53 7.537 3.749 5.306 1.00 10.00 C ATOM 749 O HIS A 53 8.333 3.981 4.392 1.00 10.00 O ATOM 750 CB HIS A 53 6.357 2.172 3.688 1.00 10.00 C ATOM 751 CG HIS A 53 5.540 0.945 3.367 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.679 0.255 2.196 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.532 0.338 4.071 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.781 -0.741 2.189 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.044 -0.749 3.309 1.00 10.00 N ATOM 0 H HIS A 53 4.501 3.342 4.589 1.00 10.00 H new ATOM 0 HA HIS A 53 6.627 1.902 5.838 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.993 2.981 3.055 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.384 1.968 3.386 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.349 0.462 1.456 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.171 0.639 5.043 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.666 -1.449 1.381 1.00 10.00 H new ATOM 763 N LYS A 54 7.604 4.379 6.480 1.00 10.00 N ATOM 764 CA LYS A 54 8.421 5.522 6.858 1.00 10.00 C ATOM 765 C LYS A 54 8.339 5.713 8.378 1.00 10.00 C ATOM 766 O LYS A 54 9.361 5.722 9.055 1.00 10.00 O ATOM 767 CB LYS A 54 7.885 6.767 6.187 1.00 10.00 C ATOM 768 CG LYS A 54 8.472 7.017 4.803 1.00 10.00 C ATOM 769 CD LYS A 54 8.396 8.532 4.651 1.00 10.00 C ATOM 770 CE LYS A 54 8.503 9.026 3.206 1.00 10.00 C ATOM 771 NZ LYS A 54 8.208 10.475 3.126 1.00 10.00 N ATOM 0 H LYS A 54 7.029 4.067 7.263 1.00 10.00 H new ATOM 0 HA LYS A 54 9.453 5.349 6.552 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.801 6.686 6.103 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.092 7.629 6.821 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.499 6.658 4.732 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.901 6.507 4.027 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.454 8.881 5.073 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.195 8.985 5.238 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.505 8.832 2.823 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.808 8.473 2.575 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 8.286 10.791 2.138 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 7.243 10.652 3.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 8.888 11.001 3.712 1.00 10.00 H new ATOM 785 N SER A 55 7.111 5.875 8.895 1.00 10.00 N ATOM 786 CA SER A 55 6.826 6.000 10.326 1.00 10.00 C ATOM 787 C SER A 55 7.567 4.935 11.137 1.00 10.00 C ATOM 788 O SER A 55 8.299 5.238 12.076 1.00 10.00 O ATOM 789 CB SER A 55 5.310 5.876 10.539 1.00 10.00 C ATOM 790 OG SER A 55 5.023 5.709 11.918 1.00 10.00 O ATOM 0 H SER A 55 6.274 5.923 8.315 1.00 10.00 H new ATOM 0 HA SER A 55 7.174 6.973 10.674 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.808 6.766 10.160 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.924 5.028 9.974 1.00 10.00 H new ATOM 0 HG SER A 55 4.054 5.632 12.044 1.00 10.00 H new ATOM 796 N ASN A 56 7.359 3.677 10.751 1.00 10.00 N ATOM 797 CA ASN A 56 7.951 2.508 11.378 1.00 10.00 C ATOM 798 C ASN A 56 7.658 1.292 10.500 1.00 10.00 C ATOM 799 O ASN A 56 6.589 1.237 9.900 1.00 10.00 O ATOM 800 CB ASN A 56 7.367 2.320 12.786 1.00 10.00 C ATOM 801 CG ASN A 56 5.877 1.987 12.769 1.00 10.00 C ATOM 802 OD1 ASN A 56 5.499 0.826 12.890 1.00 10.00 O ATOM 803 ND2 ASN A 56 5.004 2.975 12.629 1.00 10.00 N ATOM 0 H ASN A 56 6.752 3.441 9.966 1.00 10.00 H new ATOM 0 HA ASN A 56 9.029 2.633 11.476 1.00 10.00 H new ATOM 0 HB2 ASN A 56 7.907 1.522 13.295 1.00 10.00 H new ATOM 0 HB3 ASN A 56 7.525 3.230 13.364 1.00 10.00 H new ATOM 0 HD21 ASN A 56 4.004 2.775 12.621 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.332 3.936 12.529 1.00 10.00 H new ATOM 810 N ASN A 57 8.579 0.326 10.432 1.00 10.00 N ATOM 811 CA ASN A 57 8.345 -0.946 9.747 1.00 10.00 C ATOM 812 C ASN A 57 7.938 -0.743 8.270 1.00 10.00 C ATOM 813 O ASN A 57 6.762 -0.843 7.915 1.00 10.00 O ATOM 814 CB ASN A 57 7.329 -1.764 10.565 1.00 10.00 C ATOM 815 CG ASN A 57 7.816 -2.020 11.986 1.00 10.00 C ATOM 816 OD1 ASN A 57 8.730 -2.802 12.206 1.00 10.00 O ATOM 817 ND2 ASN A 57 7.221 -1.379 12.981 1.00 10.00 N ATOM 0 H ASN A 57 9.506 0.405 10.850 1.00 10.00 H new ATOM 0 HA ASN A 57 9.273 -1.516 9.694 1.00 10.00 H new ATOM 0 HB2 ASN A 57 6.378 -1.233 10.598 1.00 10.00 H new ATOM 0 HB3 ASN A 57 7.145 -2.716 10.067 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.524 -1.536 13.942 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.460 -0.729 12.786 1.00 10.00 H new ATOM 824 N GLY A 58 8.919 -0.429 7.415 1.00 10.00 N ATOM 825 CA GLY A 58 8.707 -0.260 5.979 1.00 10.00 C ATOM 826 C GLY A 58 9.977 -0.493 5.145 1.00 10.00 C ATOM 827 O GLY A 58 11.079 -0.201 5.616 1.00 10.00 O ATOM 0 H GLY A 58 9.886 -0.285 7.705 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.932 -0.952 5.649 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.336 0.747 5.790 1.00 10.00 H new ATOM 831 N PRO A 59 9.846 -0.930 3.880 1.00 10.00 N ATOM 832 CA PRO A 59 10.963 -1.121 2.967 1.00 10.00 C ATOM 833 C PRO A 59 11.423 0.204 2.333 1.00 10.00 C ATOM 834 O PRO A 59 10.815 0.709 1.388 1.00 10.00 O ATOM 835 CB PRO A 59 10.427 -2.081 1.904 1.00 10.00 C ATOM 836 CG PRO A 59 8.952 -1.690 1.809 1.00 10.00 C ATOM 837 CD PRO A 59 8.613 -1.411 3.274 1.00 10.00 C ATOM 0 HA PRO A 59 11.841 -1.512 3.481 1.00 10.00 H new ATOM 0 HB2 PRO A 59 10.941 -1.957 0.951 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.551 -3.123 2.200 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.800 -0.813 1.179 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.342 -2.491 1.393 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.820 -0.668 3.357 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.258 -2.313 3.772 1.00 10.00 H new ATOM 845 N THR A 60 12.543 0.763 2.797 1.00 10.00 N ATOM 846 CA THR A 60 13.142 1.975 2.224 1.00 10.00 C ATOM 847 C THR A 60 13.838 1.703 0.874 1.00 10.00 C ATOM 848 O THR A 60 15.016 2.009 0.705 1.00 10.00 O ATOM 849 CB THR A 60 14.111 2.597 3.247 1.00 10.00 C ATOM 850 OG1 THR A 60 13.510 2.578 4.524 1.00 10.00 O ATOM 851 CG2 THR A 60 14.438 4.060 2.932 1.00 10.00 C ATOM 0 H THR A 60 13.066 0.386 3.587 1.00 10.00 H new ATOM 0 HA THR A 60 12.343 2.685 2.011 1.00 10.00 H new ATOM 0 HB THR A 60 15.029 2.010 3.209 1.00 10.00 H new ATOM 0 HG1 THR A 60 14.123 2.971 5.180 1.00 10.00 H new ATOM 0 HG21 THR A 60 15.124 4.449 3.684 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.902 4.125 1.948 1.00 10.00 H new ATOM 0 HG23 THR A 60 13.520 4.648 2.940 1.00 10.00 H new ATOM 859 N LYS A 61 13.119 1.136 -0.102 1.00 10.00 N ATOM 860 CA LYS A 61 13.651 0.795 -1.423 1.00 10.00 C ATOM 861 C LYS A 61 12.512 0.471 -2.396 1.00 10.00 C ATOM 862 O LYS A 61 11.591 -0.270 -2.058 1.00 10.00 O ATOM 863 CB LYS A 61 14.584 -0.416 -1.302 1.00 10.00 C ATOM 864 CG LYS A 61 15.422 -0.686 -2.561 1.00 10.00 C ATOM 865 CD LYS A 61 16.445 -1.810 -2.320 1.00 10.00 C ATOM 866 CE LYS A 61 15.777 -3.186 -2.162 1.00 10.00 C ATOM 867 NZ LYS A 61 16.767 -4.248 -1.874 1.00 10.00 N ATOM 0 H LYS A 61 12.133 0.898 0.008 1.00 10.00 H new ATOM 0 HA LYS A 61 14.206 1.651 -1.808 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.255 -0.262 -0.457 1.00 10.00 H new ATOM 0 HB3 LYS A 61 13.988 -1.301 -1.078 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.765 -0.960 -3.386 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.942 0.225 -2.857 1.00 10.00 H new ATOM 0 HD2 LYS A 61 17.147 -1.843 -3.153 1.00 10.00 H new ATOM 0 HD3 LYS A 61 17.024 -1.585 -1.424 1.00 10.00 H new ATOM 0 HE2 LYS A 61 15.044 -3.144 -1.356 1.00 10.00 H new ATOM 0 HE3 LYS A 61 15.234 -3.433 -3.074 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 16.278 -5.161 -1.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.452 -4.305 -2.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 17.268 -4.025 -0.990 1.00 10.00 H new ATOM 881 N CYS A 62 12.600 0.984 -3.626 1.00 10.00 N ATOM 882 CA CYS A 62 11.596 0.753 -4.672 1.00 10.00 C ATOM 883 C CYS A 62 11.315 -0.752 -4.828 1.00 10.00 C ATOM 884 O CYS A 62 10.170 -1.204 -4.776 1.00 10.00 O ATOM 885 CB CYS A 62 12.035 1.344 -5.994 1.00 10.00 C ATOM 886 SG CYS A 62 12.778 3.009 -5.884 1.00 10.00 S ATOM 0 H CYS A 62 13.374 1.575 -3.928 1.00 10.00 H new ATOM 0 HA CYS A 62 10.677 1.253 -4.367 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.757 0.670 -6.455 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.173 1.390 -6.659 1.00 10.00 H new ATOM 891 N GLY A 63 12.378 -1.545 -4.987 1.00 10.00 N ATOM 892 CA GLY A 63 12.316 -3.000 -5.122 1.00 10.00 C ATOM 893 C GLY A 63 11.556 -3.733 -4.005 1.00 10.00 C ATOM 894 O GLY A 63 11.204 -4.895 -4.176 1.00 10.00 O ATOM 0 H GLY A 63 13.330 -1.181 -5.026 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.846 -3.240 -6.076 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.334 -3.388 -5.161 1.00 10.00 H new ATOM 898 N GLY A 64 11.295 -3.081 -2.865 1.00 10.00 N ATOM 899 CA GLY A 64 10.440 -3.644 -1.824 1.00 10.00 C ATOM 900 C GLY A 64 8.978 -3.769 -2.266 1.00 10.00 C ATOM 901 O GLY A 64 8.296 -4.724 -1.906 1.00 10.00 O ATOM 0 H GLY A 64 11.668 -2.158 -2.644 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.816 -4.628 -1.543 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.495 -3.016 -0.935 1.00 10.00 H new ATOM 905 N CYS A 65 8.477 -2.803 -3.051 1.00 10.00 N ATOM 906 CA CYS A 65 7.072 -2.810 -3.475 1.00 10.00 C ATOM 907 C CYS A 65 6.873 -3.500 -4.828 1.00 10.00 C ATOM 908 O CYS A 65 5.920 -4.249 -4.988 1.00 10.00 O ATOM 909 CB CYS A 65 6.496 -1.419 -3.481 1.00 10.00 C ATOM 910 SG CYS A 65 6.454 -0.707 -1.801 1.00 10.00 S ATOM 0 H CYS A 65 9.020 -2.014 -3.402 1.00 10.00 H new ATOM 0 HA CYS A 65 6.525 -3.398 -2.739 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.091 -0.780 -4.134 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.487 -1.443 -3.893 1.00 10.00 H new ATOM 915 N HIS A 66 7.755 -3.244 -5.796 1.00 10.00 N ATOM 916 CA HIS A 66 7.716 -3.819 -7.145 1.00 10.00 C ATOM 917 C HIS A 66 8.742 -4.966 -7.207 1.00 10.00 C ATOM 918 O HIS A 66 9.928 -4.703 -7.007 1.00 10.00 O ATOM 919 CB HIS A 66 8.021 -2.737 -8.213 1.00 10.00 C ATOM 920 CG HIS A 66 7.858 -1.317 -7.777 1.00 10.00 C ATOM 921 ND1 HIS A 66 8.721 -0.736 -6.909 1.00 10.00 N ATOM 922 CD2 HIS A 66 6.912 -0.383 -8.109 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.280 0.491 -6.651 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.195 0.789 -7.372 1.00 10.00 N ATOM 0 H HIS A 66 8.542 -2.610 -5.660 1.00 10.00 H new ATOM 0 HA HIS A 66 6.719 -4.206 -7.359 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.046 -2.874 -8.557 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.371 -2.909 -9.071 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.561 -1.165 -6.522 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.099 -0.518 -8.807 1.00 10.00 H new ATOM 0 HE1 HIS A 66 8.742 1.165 -5.945 1.00 10.00 H new ATOM 932 N ILE A 67 8.323 -6.209 -7.475 1.00 10.00 N ATOM 933 CA ILE A 67 9.231 -7.365 -7.497 1.00 10.00 C ATOM 934 C ILE A 67 10.421 -7.141 -8.445 1.00 10.00 C ATOM 935 O ILE A 67 10.250 -7.131 -9.663 1.00 10.00 O ATOM 936 CB ILE A 67 8.480 -8.652 -7.888 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.300 -8.989 -6.958 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.437 -9.854 -7.958 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.691 -9.314 -5.511 1.00 10.00 C ATOM 0 H ILE A 67 7.352 -6.442 -7.682 1.00 10.00 H new ATOM 0 HA ILE A 67 9.623 -7.479 -6.486 1.00 10.00 H new ATOM 0 HB ILE A 67 8.063 -8.452 -8.875 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.609 -8.146 -6.952 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.761 -9.840 -7.373 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.879 -10.748 -8.236 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.209 -9.662 -8.703 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.903 -10.005 -6.984 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.794 -9.538 -4.933 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.356 -10.178 -5.499 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.202 -8.457 -5.071 1.00 10.00 H new ATOM 951 N LYS A 68 11.618 -6.970 -7.877 1.00 10.00 N ATOM 952 CA LYS A 68 12.863 -6.742 -8.584 1.00 10.00 C ATOM 953 C LYS A 68 13.765 -7.983 -8.541 1.00 10.00 C ATOM 954 O LYS A 68 14.107 -8.408 -7.414 1.00 10.00 O ATOM 955 CB LYS A 68 13.525 -5.532 -7.913 1.00 10.00 C ATOM 956 CG LYS A 68 14.720 -4.980 -8.688 1.00 10.00 C ATOM 957 CD LYS A 68 15.995 -5.830 -8.535 1.00 10.00 C ATOM 958 CE LYS A 68 17.231 -5.131 -9.106 1.00 10.00 C ATOM 959 NZ LYS A 68 17.104 -4.945 -10.567 1.00 10.00 N ATOM 960 OXT LYS A 68 14.176 -8.428 -9.636 1.00 10.00 O ATOM 0 H LYS A 68 11.742 -6.989 -6.865 1.00 10.00 H new ATOM 0 HA LYS A 68 12.685 -6.546 -9.641 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.783 -4.742 -7.795 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.851 -5.816 -6.912 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.460 -4.916 -9.745 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.926 -3.965 -8.348 1.00 10.00 H new ATOM 0 HD2 LYS A 68 16.159 -6.048 -7.480 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.855 -6.786 -9.040 1.00 10.00 H new ATOM 0 HE2 LYS A 68 17.362 -4.163 -8.622 1.00 10.00 H new ATOM 0 HE3 LYS A 68 18.121 -5.721 -8.886 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 17.968 -4.500 -10.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 16.968 -5.869 -11.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.287 -4.335 -10.770 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.351 -1.837 1.308 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.305 -1.055 -1.813 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.370 -2.803 2.083 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.164 -3.067 4.184 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.395 -0.491 0.692 1.00 10.00 C HETATM 980 NA HEC A 130 -10.970 -1.907 0.353 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.175 -1.603 -0.947 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.507 -2.016 -1.327 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.146 -2.314 -0.163 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.120 -2.356 0.849 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.634 -2.543 0.010 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.024 -2.344 -2.715 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.255 -3.862 -2.905 1.00 10.00 C HETATM 988 CGA HEC A 130 -12.072 -4.776 -2.499 1.00 10.00 C HETATM 989 O1A HEC A 130 -10.907 -4.404 -2.757 1.00 10.00 O HETATM 990 O2A HEC A 130 -12.328 -5.871 -1.934 1.00 10.00 O HETATM 991 NB HEC A 130 -10.108 -2.713 2.837 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.394 -2.987 2.974 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.645 -3.605 4.254 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.422 -3.741 4.855 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.477 -3.140 3.935 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.994 -4.062 4.781 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.114 -4.472 6.157 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.394 -5.977 6.069 1.00 10.00 C HETATM 999 NC HEC A 130 -7.651 -1.823 2.211 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.347 -2.405 3.368 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.935 -2.272 3.638 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.486 -1.355 2.736 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.560 -1.197 1.793 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.096 -3.014 4.658 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.249 -0.479 2.849 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.940 -1.168 2.464 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.544 -0.917 -0.219 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.314 -0.443 -0.244 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.991 0.081 -1.541 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.124 -0.047 -2.283 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.082 -0.707 -1.423 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.624 0.500 -2.036 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.284 0.444 -3.702 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.073 -0.622 -4.783 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.057 0.003 -6.188 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.133 0.482 -6.621 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.963 0.002 -6.800 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.237 1.299 -1.403 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.946 -0.353 -1.998 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.702 0.856 -3.063 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.485 -2.822 5.658 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.136 -4.084 4.453 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.063 -2.671 4.598 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.671 -3.210 4.835 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.410 -4.814 4.111 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.870 -4.490 5.776 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.177 -1.648 -0.292 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.947 -3.383 -0.610 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.849 -2.763 1.056 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.133 -1.144 -4.604 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.867 -1.366 -4.723 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.777 -2.028 3.114 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.995 -1.501 1.428 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.113 -0.467 2.576 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.447 -6.138 5.836 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.777 -6.417 5.285 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.157 -6.448 7.023 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -14.131 -4.153 -2.325 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -13.490 -4.047 -3.953 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.284 0.862 -3.815 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.578 1.257 -3.871 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.959 -1.811 -2.889 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.312 -1.990 -3.460 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.470 0.068 0.555 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.757 -3.557 5.069 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.398 -3.023 2.369 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.606 -0.894 -2.848 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.778 0.902 -7.140 1.00 10.00 H new HETATM 0 H2A HEC A 130 -12.307 -5.750 -0.962 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.633 -2.155 3.633 1.00 10.00 FE HETATM 1051 CHA HEC A 153 5.135 -4.166 4.442 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.732 -3.304 0.491 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.491 0.188 2.719 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.297 -1.208 6.817 1.00 10.00 C HETATM 1055 NA HEC A 153 3.705 -3.454 2.668 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.723 -4.163 3.180 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.309 -5.008 2.161 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.561 -4.802 1.039 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.566 -3.817 1.393 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.805 -5.404 -0.330 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.547 -5.891 2.244 1.00 10.00 C HETATM 1062 CBA HEC A 153 7.803 -5.153 1.742 1.00 10.00 C HETATM 1063 CGA HEC A 153 9.038 -6.024 1.431 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.916 -7.270 1.489 1.00 10.00 O HETATM 1065 O2A HEC A 153 10.090 -5.421 1.107 1.00 10.00 O HETATM 1066 NB HEC A 153 1.796 -1.661 1.961 1.00 10.00 N HETATM 1067 C1B HEC A 153 1.961 -2.251 0.773 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.260 -1.510 -0.257 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.617 -0.489 0.388 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.976 -0.629 1.784 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.359 -1.698 -1.763 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.309 0.563 -0.225 1.00 10.00 C HETATM 1073 CBB HEC A 153 -1.287 0.020 -1.278 1.00 10.00 C HETATM 1074 NC HEC A 153 1.570 -0.825 4.581 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.760 0.045 4.010 1.00 10.00 C HETATM 1076 C2C HEC A 153 0.117 0.876 4.999 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.671 0.528 6.200 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.555 -0.588 5.896 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.942 1.937 4.747 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.600 1.344 7.495 1.00 10.00 C HETATM 1081 CBC HEC A 153 -0.660 1.153 8.330 1.00 10.00 C HETATM 1082 ND HEC A 153 3.514 -2.601 5.271 1.00 10.00 N HETATM 1083 C1D HEC A 153 3.214 -2.131 6.481 1.00 10.00 C HETATM 1084 C2D HEC A 153 4.066 -2.744 7.474 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.867 -3.624 6.799 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.534 -3.460 5.402 1.00 10.00 C HETATM 1087 CMD HEC A 153 4.098 -2.437 8.958 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.745 -4.700 7.423 1.00 10.00 C HETATM 1089 CBD HEC A 153 7.218 -4.302 7.634 1.00 10.00 C HETATM 1090 CGD HEC A 153 8.084 -4.261 6.365 1.00 10.00 C HETATM 1091 O1D HEC A 153 8.783 -3.241 6.167 1.00 10.00 O HETATM 1092 O2D HEC A 153 8.034 -5.258 5.613 1.00 10.00 O HETATM 0 HMD3 HEC A 153 4.352 -1.387 9.107 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 3.119 -2.639 9.392 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.846 -3.064 9.443 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.540 2.702 4.083 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.815 1.477 4.284 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.232 2.394 5.693 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.388 -1.534 -2.083 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.055 -2.712 -2.024 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 0.705 -0.983 -2.263 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.788 -5.101 -0.691 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.762 -6.491 -0.262 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.040 -5.054 -1.023 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 7.246 -3.319 8.103 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 7.668 -5.003 8.337 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.533 1.438 7.742 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -0.746 0.107 8.624 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -0.604 1.777 9.222 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.726 -0.424 -2.100 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.927 -0.737 -0.824 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.903 0.835 -1.657 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.537 -4.604 0.839 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 8.087 -4.415 2.492 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.319 -4.981 8.386 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.712 -5.586 6.790 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.699 -6.210 3.275 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.392 -6.793 1.651 1.00 10.00 H new HETATM 0 HHD HEC A 153 2.155 -0.959 7.869 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.155 1.010 2.409 1.00 10.00 H new HETATM 0 HHB HEC A 153 2.677 -3.754 -0.500 1.00 10.00 H new HETATM 0 HHA HEC A 153 6.002 -4.772 4.706 1.00 10.00 H new HETATM 0 H2D HEC A 153 8.424 -5.031 4.743 1.00 10.00 H new HETATM 0 H2A HEC A 153 10.847 -6.042 1.143 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.367 2.595 -7.239 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.027 2.230 -9.575 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.651 3.252 -9.455 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.431 3.590 -4.795 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.489 1.038 -5.035 1.00 10.00 C HETATM 1130 NA HEC A 166 6.336 2.755 -9.117 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.277 2.598 -9.933 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.678 2.851 -11.308 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.026 3.105 -11.256 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.398 3.015 -9.864 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.926 3.543 -12.399 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.792 2.781 -12.553 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.453 2.340 -13.882 1.00 10.00 C HETATM 1138 CGA HEC A 166 6.065 3.472 -14.740 1.00 10.00 C HETATM 1139 O1A HEC A 166 5.696 4.658 -14.548 1.00 10.00 O HETATM 1140 O2A HEC A 166 7.000 3.178 -15.513 1.00 10.00 O HETATM 1141 NB HEC A 166 8.153 3.313 -7.139 1.00 10.00 N HETATM 1142 C1B HEC A 166 8.951 3.438 -8.180 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.260 3.890 -7.769 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.213 3.977 -6.405 1.00 10.00 C HETATM 1145 C4B HEC A 166 8.842 3.672 -6.057 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.428 4.226 -8.681 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.396 4.109 -5.449 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.916 5.546 -5.345 1.00 10.00 C HETATM 1149 NC HEC A 166 6.443 2.377 -5.326 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.351 2.872 -4.494 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.157 2.354 -3.162 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.032 1.583 -3.227 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.599 1.637 -4.607 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.140 2.425 -2.006 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.435 0.770 -2.091 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.242 1.566 -0.800 1.00 10.00 C HETATM 1157 ND HEC A 166 4.629 1.779 -7.302 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.032 1.204 -6.271 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.686 0.829 -6.614 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.494 1.256 -7.895 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.780 1.760 -8.342 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.631 0.281 -5.673 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.154 1.289 -8.606 1.00 10.00 C HETATM 1164 CBD HEC A 166 0.853 0.043 -9.449 1.00 10.00 C HETATM 1165 CGD HEC A 166 0.721 0.307 -10.959 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.069 -0.525 -11.626 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.348 1.283 -11.438 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.986 -0.650 -5.231 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.436 1.006 -4.883 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.712 0.092 -6.227 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.062 1.913 -2.280 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.359 3.468 -1.778 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.706 1.945 -1.129 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.698 3.346 -9.265 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.143 5.035 -9.354 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.281 4.538 -8.079 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.907 2.789 -13.186 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.571 4.493 -12.798 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.946 3.661 -12.034 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 1.646 -0.688 -9.289 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 -0.072 -0.407 -9.090 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.206 1.943 -0.457 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.570 2.404 -0.986 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.812 0.920 -0.035 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.242 5.887 -6.328 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.120 6.196 -4.981 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.757 5.579 -4.652 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.238 1.619 -13.653 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.706 1.819 -14.481 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.365 1.410 -7.863 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 1.121 2.166 -9.252 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.971 2.095 -12.343 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 4.352 3.766 -12.708 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.939 0.392 -4.350 1.00 10.00 H new HETATM 0 HHC HEC A 166 8.978 4.110 -4.008 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.449 3.293 -10.196 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.212 2.316 -10.294 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.248 1.290 -12.413 1.00 10.00 H new HETATM 0 H2A HEC A 166 7.203 3.946 -16.087 1.00 10.00 H new