USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC H2D : A 166 HEC O2D : A 166 HEC CGD :(short bond) USER MOD Set 1.1: A 6 TYR OH : rot 70:sc= 1.3 USER MOD Set 1.2: A 130 HEC O2D : rot 44:sc= 1.21 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.103 K(o=0.98,f=0.042) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.882 K(o=0.98,f=0.042) USER MOD Set 3.1: A 23 LYS NZ :NH3+ 158:sc= 0.691 (180deg=0.139!) USER MOD Set 3.2: A 153 HEC O2D : rot -120:sc= 0.461 USER MOD Set 4.1: A 5 THR OG1 : rot -53:sc= 1.22 USER MOD Set 4.2: A 14 THR OG1 : rot -30:sc= -0.0166 USER MOD Single : A 1 ALA N :NH3+ 132:sc= 0.0786 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.588 K(o=0.59,f=-4.9!) USER MOD Single : A 12 ASN : amide:sc= 1.1 K(o=1.1,f=-2.7) USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= 0.0408 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= 2.02 (180deg=0.207) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -166:sc= 1.6 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.848) USER MOD Single : A 51 THR OG1 : rot 143:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -57:sc= 0.695 USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.04 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -0.0283! (180deg=-2.96!) USER MOD Single : A 130 HEC O2A : rot 180:sc= 0 USER MOD Single : A 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 166 HEC O2A : rot 179:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.461 -7.707 -2.858 1.00 10.00 N ATOM 2 CA ALA A 1 -10.498 -9.186 -2.818 1.00 10.00 C ATOM 3 C ALA A 1 -9.232 -9.719 -2.139 1.00 10.00 C ATOM 4 O ALA A 1 -8.196 -9.083 -2.301 1.00 10.00 O ATOM 5 CB ALA A 1 -10.642 -9.748 -4.235 1.00 10.00 C ATOM 0 H1 ALA A 1 -10.699 -7.380 -3.816 1.00 10.00 H new ATOM 0 H2 ALA A 1 -11.151 -7.324 -2.180 1.00 10.00 H new ATOM 0 H3 ALA A 1 -9.508 -7.377 -2.606 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.361 -9.510 -2.237 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.668 -10.837 -4.194 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.566 -9.379 -4.680 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.794 -9.428 -4.841 1.00 10.00 H new ATOM 13 N ASP A 2 -9.347 -10.802 -1.359 1.00 10.00 N ATOM 14 CA ASP A 2 -8.374 -11.312 -0.386 1.00 10.00 C ATOM 15 C ASP A 2 -6.917 -10.837 -0.609 1.00 10.00 C ATOM 16 O ASP A 2 -6.449 -9.933 0.087 1.00 10.00 O ATOM 17 CB ASP A 2 -8.570 -12.839 -0.290 1.00 10.00 C ATOM 18 CG ASP A 2 -8.151 -13.392 1.063 1.00 10.00 C ATOM 19 OD1 ASP A 2 -6.990 -13.136 1.433 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.012 -14.023 1.723 1.00 10.00 O ATOM 0 H ASP A 2 -10.183 -11.386 -1.395 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.572 -10.872 0.591 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.618 -13.080 -0.470 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.991 -13.327 -1.074 1.00 10.00 H new ATOM 25 N VAL A 3 -6.252 -11.359 -1.648 1.00 10.00 N ATOM 26 CA VAL A 3 -5.025 -10.791 -2.213 1.00 10.00 C ATOM 27 C VAL A 3 -5.307 -10.255 -3.623 1.00 10.00 C ATOM 28 O VAL A 3 -5.899 -10.960 -4.438 1.00 10.00 O ATOM 29 CB VAL A 3 -3.884 -11.825 -2.191 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.593 -11.238 -2.785 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.586 -12.272 -0.753 1.00 10.00 C ATOM 0 H VAL A 3 -6.560 -12.205 -2.128 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.694 -9.953 -1.600 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.211 -12.675 -2.789 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.805 -11.990 -2.757 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.771 -10.938 -3.818 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.287 -10.369 -2.202 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.777 -13.002 -0.759 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.290 -11.408 -0.157 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.479 -12.723 -0.320 1.00 10.00 H new ATOM 41 N VAL A 4 -4.907 -9.007 -3.909 1.00 10.00 N ATOM 42 CA VAL A 4 -5.100 -8.372 -5.218 1.00 10.00 C ATOM 43 C VAL A 4 -3.859 -8.543 -6.105 1.00 10.00 C ATOM 44 O VAL A 4 -3.944 -9.136 -7.177 1.00 10.00 O ATOM 45 CB VAL A 4 -5.484 -6.882 -5.068 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.893 -6.294 -6.425 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.642 -6.700 -4.086 1.00 10.00 C ATOM 0 H VAL A 4 -4.437 -8.407 -3.232 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.931 -8.876 -5.712 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.607 -6.360 -4.684 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.160 -5.245 -6.301 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.060 -6.376 -7.123 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.750 -6.843 -6.816 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.886 -5.641 -4.004 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.514 -7.247 -4.446 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.352 -7.082 -3.107 1.00 10.00 H new ATOM 57 N THR A 5 -2.715 -8.006 -5.660 1.00 10.00 N ATOM 58 CA THR A 5 -1.502 -7.835 -6.479 1.00 10.00 C ATOM 59 C THR A 5 -1.676 -6.838 -7.636 1.00 10.00 C ATOM 60 O THR A 5 -2.708 -6.816 -8.299 1.00 10.00 O ATOM 61 CB THR A 5 -0.904 -9.195 -6.922 1.00 10.00 C ATOM 62 OG1 THR A 5 0.296 -9.440 -6.221 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.564 -9.298 -8.411 1.00 10.00 C ATOM 0 H THR A 5 -2.602 -7.671 -4.703 1.00 10.00 H new ATOM 0 HA THR A 5 -0.760 -7.371 -5.829 1.00 10.00 H new ATOM 0 HB THR A 5 -1.688 -9.921 -6.705 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.899 -8.674 -6.327 1.00 10.00 H new ATOM 0 HG21 THR A 5 -0.152 -10.285 -8.623 1.00 10.00 H new ATOM 0 HG22 THR A 5 -1.468 -9.147 -9.002 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.170 -8.535 -8.670 1.00 10.00 H new ATOM 71 N TYR A 6 -0.677 -5.971 -7.858 1.00 10.00 N ATOM 72 CA TYR A 6 -0.693 -5.022 -8.983 1.00 10.00 C ATOM 73 C TYR A 6 0.463 -5.287 -9.938 1.00 10.00 C ATOM 74 O TYR A 6 1.622 -5.250 -9.525 1.00 10.00 O ATOM 75 CB TYR A 6 -0.635 -3.561 -8.524 1.00 10.00 C ATOM 76 CG TYR A 6 -1.988 -2.923 -8.259 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.885 -3.547 -7.373 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.259 -1.616 -8.705 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.910 -2.806 -6.772 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.305 -0.878 -8.119 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.074 -1.454 -7.096 1.00 10.00 C ATOM 82 OH TYR A 6 -4.775 -0.672 -6.241 1.00 10.00 O ATOM 0 H TYR A 6 0.155 -5.907 -7.272 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.642 -5.180 -9.496 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.038 -3.504 -7.614 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.116 -2.976 -9.283 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.783 -4.600 -7.156 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.666 -1.180 -9.495 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.572 -3.276 -6.060 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.515 0.127 -8.455 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.261 -0.546 -5.416 1.00 10.00 H new ATOM 92 N GLU A 7 0.138 -5.501 -11.213 1.00 10.00 N ATOM 93 CA GLU A 7 1.088 -5.879 -12.242 1.00 10.00 C ATOM 94 C GLU A 7 1.317 -4.734 -13.233 1.00 10.00 C ATOM 95 O GLU A 7 0.383 -4.230 -13.851 1.00 10.00 O ATOM 96 CB GLU A 7 0.635 -7.200 -12.869 1.00 10.00 C ATOM 97 CG GLU A 7 0.349 -8.212 -11.749 1.00 10.00 C ATOM 98 CD GLU A 7 0.650 -9.647 -12.144 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.172 -10.228 -12.881 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.714 -10.122 -11.690 1.00 10.00 O ATOM 0 H GLU A 7 -0.817 -5.413 -11.560 1.00 10.00 H new ATOM 0 HA GLU A 7 2.075 -6.058 -11.814 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.259 -7.043 -13.472 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.407 -7.584 -13.536 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.943 -7.951 -10.873 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.699 -8.135 -11.458 1.00 10.00 H new ATOM 107 N ASN A 8 2.572 -4.285 -13.310 1.00 10.00 N ATOM 108 CA ASN A 8 2.997 -3.076 -14.002 1.00 10.00 C ATOM 109 C ASN A 8 4.416 -3.264 -14.543 1.00 10.00 C ATOM 110 O ASN A 8 5.083 -4.251 -14.229 1.00 10.00 O ATOM 111 CB ASN A 8 2.932 -1.901 -13.019 1.00 10.00 C ATOM 112 CG ASN A 8 3.966 -2.046 -11.907 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.090 -1.568 -12.011 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.632 -2.753 -10.838 1.00 10.00 N ATOM 0 H ASN A 8 3.349 -4.779 -12.871 1.00 10.00 H new ATOM 0 HA ASN A 8 2.340 -2.869 -14.847 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.101 -0.967 -13.555 1.00 10.00 H new ATOM 0 HB3 ASN A 8 1.934 -1.843 -12.584 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.312 -2.903 -10.093 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.694 -3.147 -10.760 1.00 10.00 H new ATOM 121 N ALA A 9 4.893 -2.307 -15.334 1.00 10.00 N ATOM 122 CA ALA A 9 6.182 -2.408 -16.005 1.00 10.00 C ATOM 123 C ALA A 9 7.368 -2.429 -15.032 1.00 10.00 C ATOM 124 O ALA A 9 8.376 -3.081 -15.294 1.00 10.00 O ATOM 125 CB ALA A 9 6.315 -1.251 -16.993 1.00 10.00 C ATOM 0 H ALA A 9 4.394 -1.438 -15.527 1.00 10.00 H new ATOM 0 HA ALA A 9 6.211 -3.362 -16.531 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.277 -1.316 -17.502 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.511 -1.306 -17.727 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.252 -0.305 -16.456 1.00 10.00 H new ATOM 131 N ALA A 10 7.266 -1.720 -13.903 1.00 10.00 N ATOM 132 CA ALA A 10 8.388 -1.499 -12.995 1.00 10.00 C ATOM 133 C ALA A 10 8.512 -2.581 -11.908 1.00 10.00 C ATOM 134 O ALA A 10 8.993 -2.291 -10.817 1.00 10.00 O ATOM 135 CB ALA A 10 8.239 -0.098 -12.389 1.00 10.00 C ATOM 0 H ALA A 10 6.397 -1.283 -13.595 1.00 10.00 H new ATOM 0 HA ALA A 10 9.316 -1.569 -13.562 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.066 0.093 -11.705 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.248 0.646 -13.186 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.297 -0.035 -11.845 1.00 10.00 H new ATOM 141 N GLY A 11 8.076 -3.817 -12.175 1.00 10.00 N ATOM 142 CA GLY A 11 7.987 -4.866 -11.152 1.00 10.00 C ATOM 143 C GLY A 11 6.582 -4.892 -10.546 1.00 10.00 C ATOM 144 O GLY A 11 6.072 -3.846 -10.147 1.00 10.00 O ATOM 0 H GLY A 11 7.776 -4.118 -13.102 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.219 -5.835 -11.593 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.725 -4.686 -10.370 1.00 10.00 H new ATOM 148 N ASN A 12 5.936 -6.057 -10.458 1.00 10.00 N ATOM 149 CA ASN A 12 4.635 -6.136 -9.798 1.00 10.00 C ATOM 150 C ASN A 12 4.775 -6.007 -8.277 1.00 10.00 C ATOM 151 O ASN A 12 5.880 -6.014 -7.735 1.00 10.00 O ATOM 152 CB ASN A 12 3.846 -7.390 -10.204 1.00 10.00 C ATOM 153 CG ASN A 12 4.578 -8.702 -9.941 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.710 -8.712 -9.474 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.976 -9.833 -10.270 1.00 10.00 N ATOM 0 H ASN A 12 6.285 -6.941 -10.828 1.00 10.00 H new ATOM 0 HA ASN A 12 4.048 -5.286 -10.144 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.899 -7.401 -9.664 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.607 -7.327 -11.266 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.455 -10.724 -10.135 1.00 10.00 H new ATOM 0 HD22 ASN A 12 3.033 -9.815 -10.658 1.00 10.00 H new ATOM 162 N VAL A 13 3.634 -5.870 -7.604 1.00 10.00 N ATOM 163 CA VAL A 13 3.533 -5.750 -6.154 1.00 10.00 C ATOM 164 C VAL A 13 2.400 -6.635 -5.617 1.00 10.00 C ATOM 165 O VAL A 13 1.510 -7.031 -6.369 1.00 10.00 O ATOM 166 CB VAL A 13 3.367 -4.267 -5.788 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.022 -3.748 -6.277 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.480 -3.966 -4.294 1.00 10.00 C ATOM 0 H VAL A 13 2.727 -5.839 -8.069 1.00 10.00 H new ATOM 0 HA VAL A 13 4.445 -6.109 -5.677 1.00 10.00 H new ATOM 0 HB VAL A 13 4.197 -3.762 -6.283 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.919 -2.696 -6.010 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.963 -3.855 -7.360 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.220 -4.321 -5.811 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.350 -2.897 -4.127 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.708 -4.514 -3.753 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.462 -4.273 -3.934 1.00 10.00 H new ATOM 178 N THR A 14 2.429 -6.895 -4.309 1.00 10.00 N ATOM 179 CA THR A 14 1.467 -7.654 -3.516 1.00 10.00 C ATOM 180 C THR A 14 0.724 -6.696 -2.592 1.00 10.00 C ATOM 181 O THR A 14 1.060 -6.483 -1.431 1.00 10.00 O ATOM 182 CB THR A 14 2.138 -8.828 -2.782 1.00 10.00 C ATOM 183 OG1 THR A 14 2.371 -9.840 -3.732 1.00 10.00 O ATOM 184 CG2 THR A 14 1.260 -9.476 -1.708 1.00 10.00 C ATOM 0 H THR A 14 3.194 -6.549 -3.729 1.00 10.00 H new ATOM 0 HA THR A 14 0.731 -8.121 -4.170 1.00 10.00 H new ATOM 0 HB THR A 14 3.032 -8.426 -2.305 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.682 -9.800 -4.428 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.805 -10.294 -1.238 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.999 -8.733 -0.954 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.350 -9.862 -2.167 1.00 10.00 H new ATOM 192 N PHE A 15 -0.320 -6.108 -3.165 1.00 10.00 N ATOM 193 CA PHE A 15 -1.488 -5.664 -2.423 1.00 10.00 C ATOM 194 C PHE A 15 -2.244 -6.859 -1.845 1.00 10.00 C ATOM 195 O PHE A 15 -2.899 -7.575 -2.608 1.00 10.00 O ATOM 196 CB PHE A 15 -2.441 -4.932 -3.367 1.00 10.00 C ATOM 197 CG PHE A 15 -2.230 -3.450 -3.412 1.00 10.00 C ATOM 198 CD1 PHE A 15 -2.875 -2.645 -2.460 1.00 10.00 C ATOM 199 CD2 PHE A 15 -1.565 -2.869 -4.501 1.00 10.00 C ATOM 200 CE1 PHE A 15 -2.969 -1.265 -2.670 1.00 10.00 C ATOM 201 CE2 PHE A 15 -1.697 -1.495 -4.735 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.435 -0.703 -3.839 1.00 10.00 C ATOM 0 H PHE A 15 -0.377 -5.926 -4.167 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.150 -5.011 -1.618 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.323 -5.337 -4.372 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.467 -5.134 -3.060 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -3.296 -3.089 -1.570 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -0.956 -3.476 -5.154 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -3.450 -0.636 -1.936 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.233 -1.046 -5.601 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.592 0.344 -4.052 1.00 10.00 H new ATOM 212 N ASP A 16 -2.243 -7.000 -0.518 1.00 10.00 N ATOM 213 CA ASP A 16 -3.220 -7.826 0.168 1.00 10.00 C ATOM 214 C ASP A 16 -4.361 -6.925 0.637 1.00 10.00 C ATOM 215 O ASP A 16 -4.125 -5.913 1.297 1.00 10.00 O ATOM 216 CB ASP A 16 -2.596 -8.594 1.332 1.00 10.00 C ATOM 217 CG ASP A 16 -1.141 -8.943 1.126 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.884 -9.925 0.402 1.00 10.00 O ATOM 219 OD2 ASP A 16 -0.334 -8.202 1.724 1.00 10.00 O ATOM 0 H ASP A 16 -1.570 -6.547 0.100 1.00 10.00 H new ATOM 0 HA ASP A 16 -3.605 -8.581 -0.518 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -2.691 -7.998 2.240 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -3.160 -9.513 1.492 1.00 10.00 H new ATOM 224 N HIS A 17 -5.597 -7.279 0.300 1.00 10.00 N ATOM 225 CA HIS A 17 -6.756 -6.557 0.804 1.00 10.00 C ATOM 226 C HIS A 17 -7.078 -7.041 2.216 1.00 10.00 C ATOM 227 O HIS A 17 -7.344 -6.247 3.117 1.00 10.00 O ATOM 228 CB HIS A 17 -7.933 -6.753 -0.159 1.00 10.00 C ATOM 229 CG HIS A 17 -8.637 -5.457 -0.443 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.465 -4.729 -1.593 1.00 10.00 N ATOM 231 CD2 HIS A 17 -9.110 -4.601 0.514 1.00 10.00 C ATOM 232 CE1 HIS A 17 -8.843 -3.471 -1.332 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.228 -3.326 -0.051 1.00 10.00 N ATOM 0 H HIS A 17 -5.820 -8.059 -0.318 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.549 -5.488 0.860 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.572 -7.184 -1.093 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.639 -7.465 0.269 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.114 -5.081 -2.483 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.351 -4.865 1.533 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -8.839 -2.672 -2.059 1.00 10.00 H new ATOM 241 N LYS A 18 -7.037 -8.364 2.387 1.00 10.00 N ATOM 242 CA LYS A 18 -7.346 -9.037 3.636 1.00 10.00 C ATOM 243 C LYS A 18 -6.107 -9.240 4.516 1.00 10.00 C ATOM 244 O LYS A 18 -6.115 -8.796 5.652 1.00 10.00 O ATOM 245 CB LYS A 18 -8.051 -10.350 3.327 1.00 10.00 C ATOM 246 CG LYS A 18 -8.584 -11.026 4.594 1.00 10.00 C ATOM 247 CD LYS A 18 -9.094 -12.393 4.160 1.00 10.00 C ATOM 248 CE LYS A 18 -9.749 -13.177 5.291 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.142 -14.501 4.774 1.00 10.00 N ATOM 0 H LYS A 18 -6.781 -9.007 1.638 1.00 10.00 H new ATOM 0 HA LYS A 18 -8.012 -8.402 4.220 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -8.877 -10.165 2.640 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -7.359 -11.023 2.821 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.799 -11.123 5.344 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -9.383 -10.437 5.044 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.813 -12.265 3.351 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -8.263 -12.973 3.759 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.058 -13.286 6.127 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.621 -12.643 5.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -11.171 -14.620 4.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -9.877 -14.575 3.771 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.655 -15.244 5.316 1.00 10.00 H new ATOM 263 N ALA A 19 -5.040 -9.898 4.045 1.00 10.00 N ATOM 264 CA ALA A 19 -3.915 -10.280 4.910 1.00 10.00 C ATOM 265 C ALA A 19 -3.310 -9.089 5.668 1.00 10.00 C ATOM 266 O ALA A 19 -3.000 -9.190 6.852 1.00 10.00 O ATOM 267 CB ALA A 19 -2.840 -10.992 4.088 1.00 10.00 C ATOM 0 H ALA A 19 -4.932 -10.177 3.070 1.00 10.00 H new ATOM 0 HA ALA A 19 -4.310 -10.960 5.665 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -2.011 -11.271 4.738 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -3.263 -11.888 3.634 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -2.479 -10.325 3.305 1.00 10.00 H new ATOM 273 N HIS A 20 -3.199 -7.938 4.998 1.00 10.00 N ATOM 274 CA HIS A 20 -2.914 -6.675 5.667 1.00 10.00 C ATOM 275 C HIS A 20 -3.989 -6.390 6.743 1.00 10.00 C ATOM 276 O HIS A 20 -3.673 -6.270 7.926 1.00 10.00 O ATOM 277 CB HIS A 20 -2.798 -5.539 4.631 1.00 10.00 C ATOM 278 CG HIS A 20 -1.413 -5.264 4.068 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.771 -6.002 3.100 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.625 -4.157 4.307 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.353 -5.352 2.772 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.517 -4.226 3.492 1.00 10.00 N ATOM 0 H HIS A 20 -3.304 -7.860 3.986 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.954 -6.739 6.180 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -3.464 -5.769 3.799 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -3.167 -4.622 5.090 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -1.093 -6.885 2.704 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.850 -3.366 5.007 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.047 -5.691 2.018 1.00 10.00 H new ATOM 290 N ALA A 21 -5.268 -6.318 6.355 1.00 10.00 N ATOM 291 CA ALA A 21 -6.405 -6.116 7.262 1.00 10.00 C ATOM 292 C ALA A 21 -6.439 -7.040 8.486 1.00 10.00 C ATOM 293 O ALA A 21 -6.824 -6.593 9.562 1.00 10.00 O ATOM 294 CB ALA A 21 -7.725 -6.246 6.506 1.00 10.00 C ATOM 0 H ALA A 21 -5.548 -6.401 5.378 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.267 -5.106 7.648 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.556 -6.093 7.195 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.767 -5.497 5.715 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.796 -7.241 6.067 1.00 10.00 H new ATOM 300 N GLU A 22 -6.041 -8.306 8.356 1.00 10.00 N ATOM 301 CA GLU A 22 -5.963 -9.232 9.483 1.00 10.00 C ATOM 302 C GLU A 22 -5.124 -8.649 10.644 1.00 10.00 C ATOM 303 O GLU A 22 -5.404 -8.926 11.809 1.00 10.00 O ATOM 304 CB GLU A 22 -5.426 -10.590 9.004 1.00 10.00 C ATOM 305 CG GLU A 22 -6.320 -11.306 7.971 1.00 10.00 C ATOM 306 CD GLU A 22 -7.722 -11.656 8.458 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.813 -12.269 9.542 1.00 10.00 O ATOM 308 OE2 GLU A 22 -8.675 -11.356 7.705 1.00 10.00 O ATOM 0 H GLU A 22 -5.764 -8.717 7.465 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.966 -9.384 9.881 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.438 -10.442 8.569 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.299 -11.241 9.869 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -6.407 -10.672 7.088 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.822 -12.223 7.657 1.00 10.00 H new ATOM 315 N LYS A 23 -4.126 -7.803 10.340 1.00 10.00 N ATOM 316 CA LYS A 23 -3.451 -6.951 11.315 1.00 10.00 C ATOM 317 C LYS A 23 -4.107 -5.557 11.422 1.00 10.00 C ATOM 318 O LYS A 23 -4.317 -5.048 12.520 1.00 10.00 O ATOM 319 CB LYS A 23 -1.969 -6.828 10.923 1.00 10.00 C ATOM 320 CG LYS A 23 -1.176 -8.095 11.276 1.00 10.00 C ATOM 321 CD LYS A 23 0.331 -7.906 11.025 1.00 10.00 C ATOM 322 CE LYS A 23 1.111 -9.082 11.633 1.00 10.00 C ATOM 323 NZ LYS A 23 2.570 -8.985 11.399 1.00 10.00 N ATOM 0 H LYS A 23 -3.765 -7.695 9.392 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.539 -7.411 12.299 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.891 -6.638 9.853 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.529 -5.971 11.432 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.342 -8.350 12.323 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.543 -8.932 10.682 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.526 -7.843 9.954 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.668 -6.968 11.466 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.922 -9.122 12.706 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.741 -10.015 11.209 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 3.074 -9.555 12.108 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 2.793 -9.340 10.447 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.869 -7.992 11.477 1.00 10.00 H new ATOM 337 N LEU A 24 -4.371 -4.908 10.284 1.00 10.00 N ATOM 338 CA LEU A 24 -4.664 -3.475 10.191 1.00 10.00 C ATOM 339 C LEU A 24 -6.127 -3.055 10.453 1.00 10.00 C ATOM 340 O LEU A 24 -6.393 -1.884 10.712 1.00 10.00 O ATOM 341 CB LEU A 24 -4.219 -2.980 8.812 1.00 10.00 C ATOM 342 CG LEU A 24 -2.725 -3.124 8.483 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.486 -2.386 7.163 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.825 -2.558 9.587 1.00 10.00 C ATOM 0 H LEU A 24 -4.387 -5.377 9.378 1.00 10.00 H new ATOM 0 HA LEU A 24 -4.108 -3.009 11.004 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.789 -3.519 8.055 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.488 -1.927 8.724 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.469 -4.180 8.402 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.434 -2.462 6.889 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -3.098 -2.833 6.380 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.756 -1.336 7.279 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.780 -2.685 9.305 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.038 -1.498 9.722 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -2.016 -3.089 10.520 1.00 10.00 H new ATOM 356 N GLY A 25 -7.091 -3.970 10.356 1.00 10.00 N ATOM 357 CA GLY A 25 -8.483 -3.737 10.750 1.00 10.00 C ATOM 358 C GLY A 25 -9.302 -2.800 9.856 1.00 10.00 C ATOM 359 O GLY A 25 -10.200 -2.133 10.360 1.00 10.00 O ATOM 0 H GLY A 25 -6.926 -4.910 9.996 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.991 -4.700 10.790 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.487 -3.332 11.762 1.00 10.00 H new ATOM 363 N CYS A 26 -9.019 -2.762 8.548 1.00 10.00 N ATOM 364 CA CYS A 26 -9.625 -1.898 7.519 1.00 10.00 C ATOM 365 C CYS A 26 -9.371 -0.397 7.751 1.00 10.00 C ATOM 366 O CYS A 26 -8.832 0.268 6.867 1.00 10.00 O ATOM 367 CB CYS A 26 -11.104 -2.148 7.328 1.00 10.00 C ATOM 368 SG CYS A 26 -11.615 -3.877 7.068 1.00 10.00 S ATOM 0 H CYS A 26 -8.310 -3.377 8.149 1.00 10.00 H new ATOM 0 HA CYS A 26 -9.113 -2.182 6.599 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.629 -1.766 8.203 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.441 -1.562 6.473 1.00 10.00 H new ATOM 373 N ASP A 27 -9.753 0.127 8.922 1.00 10.00 N ATOM 374 CA ASP A 27 -9.686 1.520 9.355 1.00 10.00 C ATOM 375 C ASP A 27 -8.370 2.170 8.934 1.00 10.00 C ATOM 376 O ASP A 27 -8.345 3.239 8.328 1.00 10.00 O ATOM 377 CB ASP A 27 -9.846 1.564 10.883 1.00 10.00 C ATOM 378 CG ASP A 27 -11.221 1.147 11.386 1.00 10.00 C ATOM 379 OD1 ASP A 27 -12.160 1.116 10.562 1.00 10.00 O ATOM 380 OD2 ASP A 27 -11.305 0.886 12.604 1.00 10.00 O ATOM 0 H ASP A 27 -10.150 -0.467 9.650 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.489 2.083 8.879 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.096 0.914 11.333 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.638 2.577 11.228 1.00 10.00 H new ATOM 385 N ALA A 28 -7.276 1.455 9.208 1.00 10.00 N ATOM 386 CA ALA A 28 -5.915 1.793 8.805 1.00 10.00 C ATOM 387 C ALA A 28 -5.774 2.370 7.385 1.00 10.00 C ATOM 388 O ALA A 28 -4.915 3.218 7.152 1.00 10.00 O ATOM 389 CB ALA A 28 -5.107 0.511 8.907 1.00 10.00 C ATOM 0 H ALA A 28 -7.320 0.586 9.741 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.564 2.588 9.462 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -4.075 0.707 8.615 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.131 0.147 9.934 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.534 -0.242 8.245 1.00 10.00 H new ATOM 395 N CYS A 29 -6.580 1.885 6.435 1.00 10.00 N ATOM 396 CA CYS A 29 -6.555 2.300 5.034 1.00 10.00 C ATOM 397 C CYS A 29 -7.838 3.046 4.621 1.00 10.00 C ATOM 398 O CYS A 29 -7.980 3.445 3.465 1.00 10.00 O ATOM 399 CB CYS A 29 -6.390 1.071 4.177 1.00 10.00 C ATOM 400 SG CYS A 29 -4.813 0.181 4.446 1.00 10.00 S ATOM 0 H CYS A 29 -7.286 1.174 6.627 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.723 2.991 4.897 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -7.218 0.390 4.374 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.458 1.360 3.128 1.00 10.00 H new ATOM 405 N HIS A 30 -8.809 3.192 5.528 1.00 10.00 N ATOM 406 CA HIS A 30 -10.189 3.484 5.171 1.00 10.00 C ATOM 407 C HIS A 30 -10.961 4.153 6.313 1.00 10.00 C ATOM 408 O HIS A 30 -11.498 3.471 7.181 1.00 10.00 O ATOM 409 CB HIS A 30 -10.854 2.157 4.779 1.00 10.00 C ATOM 410 CG HIS A 30 -10.427 1.564 3.474 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.373 2.206 2.269 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.223 0.241 3.238 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.125 1.281 1.319 1.00 10.00 C ATOM 414 NE2 HIS A 30 -10.023 0.055 1.861 1.00 10.00 N ATOM 0 H HIS A 30 -8.653 3.109 6.533 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.202 4.192 4.342 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.657 1.430 5.566 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.933 2.310 4.749 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.498 3.207 2.115 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -10.216 -0.538 3.986 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.022 1.496 0.266 1.00 10.00 H new ATOM 422 N GLU A 31 -11.096 5.479 6.266 1.00 10.00 N ATOM 423 CA GLU A 31 -11.796 6.238 7.292 1.00 10.00 C ATOM 424 C GLU A 31 -13.313 5.955 7.330 1.00 10.00 C ATOM 425 O GLU A 31 -14.122 6.734 6.827 1.00 10.00 O ATOM 426 CB GLU A 31 -11.490 7.729 7.107 1.00 10.00 C ATOM 427 CG GLU A 31 -10.001 8.039 7.332 1.00 10.00 C ATOM 428 CD GLU A 31 -9.690 9.517 7.132 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.230 10.321 7.921 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.925 9.810 6.188 1.00 10.00 O ATOM 0 H GLU A 31 -10.721 6.054 5.512 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.429 5.913 8.265 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.777 8.037 6.102 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.092 8.313 7.803 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.717 7.742 8.342 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.399 7.445 6.644 1.00 10.00 H new ATOM 437 N GLY A 32 -13.712 4.830 7.930 1.00 10.00 N ATOM 438 CA GLY A 32 -15.110 4.474 8.176 1.00 10.00 C ATOM 439 C GLY A 32 -15.833 3.968 6.924 1.00 10.00 C ATOM 440 O GLY A 32 -16.352 2.854 6.911 1.00 10.00 O ATOM 0 H GLY A 32 -13.055 4.125 8.266 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -15.152 3.705 8.948 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.637 5.345 8.565 1.00 10.00 H new ATOM 444 N THR A 33 -15.874 4.784 5.868 1.00 10.00 N ATOM 445 CA THR A 33 -16.472 4.440 4.576 1.00 10.00 C ATOM 446 C THR A 33 -15.387 3.949 3.604 1.00 10.00 C ATOM 447 O THR A 33 -14.679 4.775 3.029 1.00 10.00 O ATOM 448 CB THR A 33 -17.202 5.665 3.997 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.159 6.136 4.922 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.945 5.320 2.703 1.00 10.00 C ATOM 0 H THR A 33 -15.482 5.726 5.888 1.00 10.00 H new ATOM 0 HA THR A 33 -17.195 3.637 4.719 1.00 10.00 H new ATOM 0 HB THR A 33 -16.444 6.421 3.792 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.619 6.917 4.548 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.448 6.210 2.324 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.233 4.961 1.959 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.683 4.543 2.903 1.00 10.00 H new ATOM 458 N PRO A 34 -15.222 2.632 3.392 1.00 10.00 N ATOM 459 CA PRO A 34 -14.241 2.130 2.442 1.00 10.00 C ATOM 460 C PRO A 34 -14.699 2.402 1.003 1.00 10.00 C ATOM 461 O PRO A 34 -15.887 2.324 0.697 1.00 10.00 O ATOM 462 CB PRO A 34 -14.142 0.635 2.728 1.00 10.00 C ATOM 463 CG PRO A 34 -15.552 0.284 3.198 1.00 10.00 C ATOM 464 CD PRO A 34 -15.963 1.528 3.986 1.00 10.00 C ATOM 0 HA PRO A 34 -13.272 2.619 2.546 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.860 0.071 1.839 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.396 0.418 3.492 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.223 0.096 2.360 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.560 -0.611 3.820 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -17.038 1.697 3.919 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.723 1.419 5.044 1.00 10.00 H new ATOM 472 N ALA A 35 -13.752 2.719 0.116 1.00 10.00 N ATOM 473 CA ALA A 35 -14.021 3.057 -1.278 1.00 10.00 C ATOM 474 C ALA A 35 -12.739 2.934 -2.109 1.00 10.00 C ATOM 475 O ALA A 35 -11.647 2.777 -1.555 1.00 10.00 O ATOM 476 CB ALA A 35 -14.592 4.478 -1.355 1.00 10.00 C ATOM 0 H ALA A 35 -12.761 2.748 0.354 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.754 2.362 -1.688 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.794 4.733 -2.395 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.518 4.530 -0.782 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.870 5.183 -0.942 1.00 10.00 H new ATOM 482 N LYS A 36 -12.864 2.992 -3.440 1.00 10.00 N ATOM 483 CA LYS A 36 -11.724 2.810 -4.329 1.00 10.00 C ATOM 484 C LYS A 36 -10.817 4.051 -4.424 1.00 10.00 C ATOM 485 O LYS A 36 -11.033 4.964 -5.221 1.00 10.00 O ATOM 486 CB LYS A 36 -12.151 2.218 -5.676 1.00 10.00 C ATOM 487 CG LYS A 36 -13.020 3.143 -6.536 1.00 10.00 C ATOM 488 CD LYS A 36 -12.212 3.599 -7.759 1.00 10.00 C ATOM 489 CE LYS A 36 -12.915 4.764 -8.460 1.00 10.00 C ATOM 490 NZ LYS A 36 -12.084 5.287 -9.563 1.00 10.00 N ATOM 0 H LYS A 36 -13.747 3.164 -3.920 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.075 2.062 -3.874 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.257 1.953 -6.241 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.699 1.293 -5.494 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.923 2.622 -6.855 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.340 4.007 -5.953 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.212 3.903 -7.449 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -12.092 2.768 -8.454 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -13.878 4.433 -8.849 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.117 5.559 -7.742 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.578 6.076 -10.026 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.175 5.622 -9.184 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.913 4.532 -10.257 1.00 10.00 H new ATOM 504 N ILE A 37 -9.785 4.077 -3.580 1.00 10.00 N ATOM 505 CA ILE A 37 -8.745 5.105 -3.562 1.00 10.00 C ATOM 506 C ILE A 37 -7.877 4.998 -4.826 1.00 10.00 C ATOM 507 O ILE A 37 -7.370 3.926 -5.132 1.00 10.00 O ATOM 508 CB ILE A 37 -7.892 4.930 -2.288 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.746 5.158 -1.025 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.690 5.890 -2.295 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.110 4.545 0.227 1.00 10.00 C ATOM 0 H ILE A 37 -9.646 3.360 -2.868 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.199 6.096 -3.552 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.516 3.907 -2.275 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.885 6.228 -0.872 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.735 4.726 -1.176 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.105 5.747 -1.387 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.066 5.685 -3.165 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.047 6.919 -2.339 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.750 4.733 1.089 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.995 3.470 0.088 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.132 4.995 0.396 1.00 10.00 H new ATOM 523 N ALA A 38 -7.668 6.093 -5.565 1.00 10.00 N ATOM 524 CA ALA A 38 -6.843 6.037 -6.770 1.00 10.00 C ATOM 525 C ALA A 38 -5.354 5.803 -6.466 1.00 10.00 C ATOM 526 O ALA A 38 -4.628 6.702 -6.039 1.00 10.00 O ATOM 527 CB ALA A 38 -7.033 7.283 -7.623 1.00 10.00 C ATOM 0 H ALA A 38 -8.053 7.013 -5.352 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.186 5.171 -7.337 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.407 7.214 -8.513 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.079 7.364 -7.920 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.750 8.164 -7.048 1.00 10.00 H new ATOM 533 N ILE A 39 -4.902 4.581 -6.730 1.00 10.00 N ATOM 534 CA ILE A 39 -3.525 4.131 -6.563 1.00 10.00 C ATOM 535 C ILE A 39 -2.743 4.339 -7.855 1.00 10.00 C ATOM 536 O ILE A 39 -3.057 3.742 -8.882 1.00 10.00 O ATOM 537 CB ILE A 39 -3.532 2.663 -6.131 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.106 2.540 -4.708 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.167 1.971 -6.276 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.281 3.205 -3.587 1.00 10.00 C ATOM 0 H ILE A 39 -5.514 3.845 -7.082 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.029 4.717 -5.789 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.184 2.124 -6.818 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.106 2.974 -4.702 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.216 1.482 -4.472 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.249 0.934 -5.951 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.853 2.001 -7.319 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.430 2.487 -5.660 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.780 3.055 -2.630 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.288 2.758 -3.552 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.191 4.273 -3.786 1.00 10.00 H new ATOM 552 N ASP A 40 -1.727 5.198 -7.787 1.00 10.00 N ATOM 553 CA ASP A 40 -0.990 5.650 -8.953 1.00 10.00 C ATOM 554 C ASP A 40 0.349 6.284 -8.520 1.00 10.00 C ATOM 555 O ASP A 40 0.664 6.439 -7.331 1.00 10.00 O ATOM 556 CB ASP A 40 -1.942 6.612 -9.702 1.00 10.00 C ATOM 557 CG ASP A 40 -1.469 7.169 -11.032 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.519 6.583 -11.593 1.00 10.00 O ATOM 559 OD2 ASP A 40 -2.045 8.193 -11.454 1.00 10.00 O ATOM 0 H ASP A 40 -1.394 5.600 -6.911 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.703 4.841 -9.625 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.883 6.090 -9.872 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.158 7.453 -9.043 1.00 10.00 H new ATOM 564 N LYS A 41 1.137 6.686 -9.511 1.00 10.00 N ATOM 565 CA LYS A 41 2.427 7.354 -9.391 1.00 10.00 C ATOM 566 C LYS A 41 2.272 8.830 -8.999 1.00 10.00 C ATOM 567 O LYS A 41 2.675 9.744 -9.713 1.00 10.00 O ATOM 568 CB LYS A 41 3.265 7.060 -10.638 1.00 10.00 C ATOM 569 CG LYS A 41 2.634 7.539 -11.962 1.00 10.00 C ATOM 570 CD LYS A 41 2.917 6.625 -13.172 1.00 10.00 C ATOM 571 CE LYS A 41 2.460 5.153 -13.073 1.00 10.00 C ATOM 572 NZ LYS A 41 1.004 4.930 -12.934 1.00 10.00 N ATOM 0 H LYS A 41 0.873 6.544 -10.486 1.00 10.00 H new ATOM 0 HA LYS A 41 2.998 6.949 -8.556 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.241 7.532 -10.524 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.436 5.985 -10.700 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.555 7.619 -11.828 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.003 8.540 -12.185 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.441 7.067 -14.047 1.00 10.00 H new ATOM 0 HD3 LYS A 41 3.991 6.633 -13.356 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.804 4.627 -13.963 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.960 4.696 -12.219 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 0.816 4.397 -12.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 0.515 5.847 -12.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 0.656 4.389 -13.751 1.00 10.00 H new ATOM 586 N LYS A 42 1.668 9.013 -7.822 1.00 10.00 N ATOM 587 CA LYS A 42 1.235 10.284 -7.239 1.00 10.00 C ATOM 588 C LYS A 42 0.723 10.081 -5.803 1.00 10.00 C ATOM 589 O LYS A 42 0.999 10.891 -4.924 1.00 10.00 O ATOM 590 CB LYS A 42 0.155 10.936 -8.125 1.00 10.00 C ATOM 591 CG LYS A 42 -1.121 10.082 -8.195 1.00 10.00 C ATOM 592 CD LYS A 42 -1.939 10.333 -9.463 1.00 10.00 C ATOM 593 CE LYS A 42 -2.638 11.689 -9.520 1.00 10.00 C ATOM 594 NZ LYS A 42 -3.480 11.748 -10.735 1.00 10.00 N ATOM 0 H LYS A 42 1.455 8.224 -7.211 1.00 10.00 H new ATOM 0 HA LYS A 42 2.093 10.955 -7.193 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.090 11.923 -7.732 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.550 11.082 -9.130 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -0.849 9.028 -8.147 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -1.740 10.291 -7.323 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -1.280 10.244 -10.326 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -2.691 9.549 -9.554 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -3.251 11.834 -8.630 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -1.901 12.492 -9.534 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -3.960 12.670 -10.781 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -2.883 11.627 -11.578 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -4.191 10.989 -10.702 1.00 10.00 H new ATOM 608 N SER A 43 -0.018 8.991 -5.563 1.00 10.00 N ATOM 609 CA SER A 43 -0.538 8.581 -4.266 1.00 10.00 C ATOM 610 C SER A 43 0.403 7.561 -3.623 1.00 10.00 C ATOM 611 O SER A 43 1.029 7.838 -2.596 1.00 10.00 O ATOM 612 CB SER A 43 -1.929 7.973 -4.488 1.00 10.00 C ATOM 613 OG SER A 43 -1.913 7.101 -5.611 1.00 10.00 O ATOM 0 H SER A 43 -0.280 8.345 -6.308 1.00 10.00 H new ATOM 0 HA SER A 43 -0.610 9.436 -3.594 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.240 7.426 -3.598 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.659 8.767 -4.646 1.00 10.00 H new ATOM 0 HG SER A 43 -2.833 6.891 -5.876 1.00 10.00 H new ATOM 619 N ALA A 44 0.543 6.397 -4.271 1.00 10.00 N ATOM 620 CA ALA A 44 1.263 5.237 -3.739 1.00 10.00 C ATOM 621 C ALA A 44 2.770 5.479 -3.571 1.00 10.00 C ATOM 622 O ALA A 44 3.486 4.648 -3.016 1.00 10.00 O ATOM 623 CB ALA A 44 0.999 4.037 -4.649 1.00 10.00 C ATOM 0 H ALA A 44 0.150 6.234 -5.198 1.00 10.00 H new ATOM 0 HA ALA A 44 0.887 5.042 -2.734 1.00 10.00 H new ATOM 0 HB1 ALA A 44 1.529 3.166 -4.265 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -0.071 3.829 -4.675 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.350 4.260 -5.657 1.00 10.00 H new ATOM 629 N HIS A 45 3.245 6.620 -4.078 1.00 10.00 N ATOM 630 CA HIS A 45 4.636 7.038 -4.063 1.00 10.00 C ATOM 631 C HIS A 45 4.847 8.334 -3.274 1.00 10.00 C ATOM 632 O HIS A 45 5.982 8.807 -3.202 1.00 10.00 O ATOM 633 CB HIS A 45 5.091 7.216 -5.516 1.00 10.00 C ATOM 634 CG HIS A 45 4.914 5.960 -6.325 1.00 10.00 C ATOM 635 ND1 HIS A 45 3.712 5.469 -6.769 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.870 5.014 -6.580 1.00 10.00 C ATOM 637 CE1 HIS A 45 3.948 4.268 -7.306 1.00 10.00 C ATOM 638 NE2 HIS A 45 5.248 3.926 -7.201 1.00 10.00 N ATOM 0 H HIS A 45 2.637 7.304 -4.529 1.00 10.00 H new ATOM 0 HA HIS A 45 5.229 6.274 -3.561 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.524 8.025 -5.976 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.140 7.512 -5.533 1.00 10.00 H new ATOM 0 HD1 HIS A 45 2.807 5.934 -6.702 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.921 5.094 -6.343 1.00 10.00 H new ATOM 0 HE1 HIS A 45 3.192 3.649 -7.766 1.00 10.00 H new ATOM 646 N LYS A 46 3.799 8.893 -2.659 1.00 10.00 N ATOM 647 CA LYS A 46 3.889 10.099 -1.837 1.00 10.00 C ATOM 648 C LYS A 46 3.757 9.743 -0.358 1.00 10.00 C ATOM 649 O LYS A 46 4.704 9.924 0.407 1.00 10.00 O ATOM 650 CB LYS A 46 2.801 11.086 -2.275 1.00 10.00 C ATOM 651 CG LYS A 46 3.015 12.485 -1.683 1.00 10.00 C ATOM 652 CD LYS A 46 1.819 13.373 -2.057 1.00 10.00 C ATOM 653 CE LYS A 46 2.065 14.855 -1.735 1.00 10.00 C ATOM 654 NZ LYS A 46 2.985 15.484 -2.709 1.00 10.00 N ATOM 0 H LYS A 46 2.854 8.514 -2.721 1.00 10.00 H new ATOM 0 HA LYS A 46 4.863 10.569 -1.974 1.00 10.00 H new ATOM 0 HB2 LYS A 46 2.789 11.152 -3.363 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.826 10.709 -1.968 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.115 12.424 -0.599 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.940 12.918 -2.064 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.609 13.265 -3.121 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.934 13.030 -1.521 1.00 10.00 H new ATOM 0 HE2 LYS A 46 1.115 15.389 -1.735 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.481 14.945 -0.732 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 3.126 16.483 -2.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.900 14.990 -2.691 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 2.576 15.421 -3.663 1.00 10.00 H new ATOM 668 N ASP A 47 2.582 9.227 0.005 1.00 10.00 N ATOM 669 CA ASP A 47 2.206 8.907 1.379 1.00 10.00 C ATOM 670 C ASP A 47 1.528 7.532 1.493 1.00 10.00 C ATOM 671 O ASP A 47 1.969 6.695 2.286 1.00 10.00 O ATOM 672 CB ASP A 47 1.323 10.035 1.918 1.00 10.00 C ATOM 673 CG ASP A 47 0.856 9.702 3.324 1.00 10.00 C ATOM 674 OD1 ASP A 47 1.685 9.862 4.246 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.294 9.235 3.429 1.00 10.00 O ATOM 0 H ASP A 47 1.846 9.015 -0.669 1.00 10.00 H new ATOM 0 HA ASP A 47 3.107 8.834 1.989 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.879 10.972 1.923 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.463 10.178 1.264 1.00 10.00 H new ATOM 680 N ALA A 48 0.482 7.279 0.689 1.00 10.00 N ATOM 681 CA ALA A 48 -0.257 6.026 0.731 1.00 10.00 C ATOM 682 C ALA A 48 0.702 4.835 0.631 1.00 10.00 C ATOM 683 O ALA A 48 1.511 4.765 -0.296 1.00 10.00 O ATOM 684 CB ALA A 48 -1.300 6.006 -0.390 1.00 10.00 C ATOM 0 H ALA A 48 0.133 7.942 -0.003 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.779 5.944 1.684 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.852 5.067 -0.357 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.991 6.838 -0.259 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.800 6.099 -1.354 1.00 10.00 H new ATOM 690 N CYS A 49 0.651 3.941 1.623 1.00 10.00 N ATOM 691 CA CYS A 49 1.486 2.742 1.733 1.00 10.00 C ATOM 692 C CYS A 49 2.928 3.061 2.115 1.00 10.00 C ATOM 693 O CYS A 49 3.406 2.605 3.157 1.00 10.00 O ATOM 694 CB CYS A 49 1.406 1.894 0.493 1.00 10.00 C ATOM 695 SG CYS A 49 -0.344 1.588 0.131 1.00 10.00 S ATOM 0 H CYS A 49 0.000 4.037 2.403 1.00 10.00 H new ATOM 0 HA CYS A 49 1.078 2.154 2.555 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.885 2.400 -0.345 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.934 0.952 0.641 1.00 10.00 H new ATOM 700 N LYS A 50 3.602 3.862 1.285 1.00 10.00 N ATOM 701 CA LYS A 50 4.882 4.489 1.588 1.00 10.00 C ATOM 702 C LYS A 50 5.070 4.760 3.086 1.00 10.00 C ATOM 703 O LYS A 50 5.960 4.179 3.696 1.00 10.00 O ATOM 704 CB LYS A 50 4.987 5.803 0.809 1.00 10.00 C ATOM 705 CG LYS A 50 5.372 5.618 -0.665 1.00 10.00 C ATOM 706 CD LYS A 50 6.805 6.093 -0.973 1.00 10.00 C ATOM 707 CE LYS A 50 7.003 7.566 -0.570 1.00 10.00 C ATOM 708 NZ LYS A 50 7.894 8.298 -1.494 1.00 10.00 N ATOM 0 H LYS A 50 3.256 4.097 0.354 1.00 10.00 H new ATOM 0 HA LYS A 50 5.669 3.796 1.290 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.031 6.324 0.863 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.727 6.443 1.291 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.278 4.565 -0.931 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.669 6.168 -1.291 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.521 5.468 -0.439 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.009 5.974 -2.037 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.033 8.063 -0.538 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.417 7.610 0.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.419 9.025 -0.967 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.565 7.633 -1.928 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.326 8.752 -2.238 1.00 10.00 H new ATOM 722 N THR A 51 4.253 5.634 3.681 1.00 10.00 N ATOM 723 CA THR A 51 4.451 6.094 5.057 1.00 10.00 C ATOM 724 C THR A 51 4.496 4.952 6.083 1.00 10.00 C ATOM 725 O THR A 51 5.433 4.896 6.880 1.00 10.00 O ATOM 726 CB THR A 51 3.435 7.197 5.380 1.00 10.00 C ATOM 727 OG1 THR A 51 3.776 8.294 4.561 1.00 10.00 O ATOM 728 CG2 THR A 51 3.504 7.667 6.834 1.00 10.00 C ATOM 0 H THR A 51 3.438 6.041 3.223 1.00 10.00 H new ATOM 0 HA THR A 51 5.446 6.533 5.136 1.00 10.00 H new ATOM 0 HB THR A 51 2.430 6.810 5.211 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.959 8.737 4.250 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.761 8.447 7.000 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.302 6.827 7.498 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.498 8.062 7.042 1.00 10.00 H new ATOM 736 N CYS A 52 3.560 3.995 6.039 1.00 10.00 N ATOM 737 CA CYS A 52 3.672 2.770 6.843 1.00 10.00 C ATOM 738 C CYS A 52 4.999 2.068 6.588 1.00 10.00 C ATOM 739 O CYS A 52 5.750 1.753 7.507 1.00 10.00 O ATOM 740 CB CYS A 52 2.599 1.783 6.494 1.00 10.00 C ATOM 741 SG CYS A 52 0.972 2.313 7.046 1.00 10.00 S ATOM 0 H CYS A 52 2.722 4.044 5.460 1.00 10.00 H new ATOM 0 HA CYS A 52 3.585 3.084 7.883 1.00 10.00 H new ATOM 0 HB2 CYS A 52 2.583 1.635 5.414 1.00 10.00 H new ATOM 0 HB3 CYS A 52 2.836 0.819 6.944 1.00 10.00 H new ATOM 746 N HIS A 53 5.294 1.857 5.307 1.00 10.00 N ATOM 747 CA HIS A 53 6.516 1.227 4.845 1.00 10.00 C ATOM 748 C HIS A 53 7.792 2.062 5.096 1.00 10.00 C ATOM 749 O HIS A 53 8.884 1.653 4.698 1.00 10.00 O ATOM 750 CB HIS A 53 6.282 0.875 3.376 1.00 10.00 C ATOM 751 CG HIS A 53 5.486 -0.404 3.258 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.046 -1.637 3.437 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.124 -0.583 3.267 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.053 -2.537 3.527 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.847 -1.960 3.412 1.00 10.00 N ATOM 0 H HIS A 53 4.670 2.129 4.547 1.00 10.00 H new ATOM 0 HA HIS A 53 6.721 0.327 5.425 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.750 1.688 2.881 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.239 0.763 2.866 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.044 -1.839 3.493 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.386 0.201 3.178 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.206 -3.596 3.674 1.00 10.00 H new ATOM 763 N LYS A 54 7.668 3.201 5.781 1.00 10.00 N ATOM 764 CA LYS A 54 8.759 3.922 6.400 1.00 10.00 C ATOM 765 C LYS A 54 8.713 3.779 7.923 1.00 10.00 C ATOM 766 O LYS A 54 9.664 3.301 8.531 1.00 10.00 O ATOM 767 CB LYS A 54 8.658 5.380 6.010 1.00 10.00 C ATOM 768 CG LYS A 54 8.865 5.549 4.510 1.00 10.00 C ATOM 769 CD LYS A 54 9.366 6.986 4.405 1.00 10.00 C ATOM 770 CE LYS A 54 9.332 7.574 2.998 1.00 10.00 C ATOM 771 NZ LYS A 54 9.974 8.906 2.997 1.00 10.00 N ATOM 0 H LYS A 54 6.766 3.656 5.919 1.00 10.00 H new ATOM 0 HA LYS A 54 9.706 3.508 6.055 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.681 5.771 6.294 1.00 10.00 H new ATOM 0 HB3 LYS A 54 9.404 5.960 6.553 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.591 4.837 4.118 1.00 10.00 H new ATOM 0 HG3 LYS A 54 7.940 5.400 3.953 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.764 7.615 5.061 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.390 7.027 4.776 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.848 6.911 2.304 1.00 10.00 H new ATOM 0 HE3 LYS A 54 8.301 7.657 2.653 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 9.949 9.303 2.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 9.463 9.538 3.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 10.962 8.815 3.308 1.00 10.00 H new ATOM 785 N SER A 55 7.643 4.276 8.558 1.00 10.00 N ATOM 786 CA SER A 55 7.546 4.403 10.015 1.00 10.00 C ATOM 787 C SER A 55 8.841 4.967 10.631 1.00 10.00 C ATOM 788 O SER A 55 9.320 4.467 11.645 1.00 10.00 O ATOM 789 CB SER A 55 7.169 3.039 10.610 1.00 10.00 C ATOM 790 OG SER A 55 7.010 3.159 12.011 1.00 10.00 O ATOM 0 H SER A 55 6.812 4.605 8.067 1.00 10.00 H new ATOM 0 HA SER A 55 6.765 5.123 10.259 1.00 10.00 H new ATOM 0 HB2 SER A 55 6.245 2.677 10.159 1.00 10.00 H new ATOM 0 HB3 SER A 55 7.943 2.306 10.383 1.00 10.00 H new ATOM 0 HG SER A 55 7.834 3.516 12.404 1.00 10.00 H new ATOM 796 N ASN A 56 9.450 5.953 9.954 1.00 10.00 N ATOM 797 CA ASN A 56 10.788 6.517 10.194 1.00 10.00 C ATOM 798 C ASN A 56 11.978 5.534 10.291 1.00 10.00 C ATOM 799 O ASN A 56 13.112 5.969 10.461 1.00 10.00 O ATOM 800 CB ASN A 56 10.758 7.525 11.349 1.00 10.00 C ATOM 801 CG ASN A 56 10.434 6.908 12.705 1.00 10.00 C ATOM 802 OD1 ASN A 56 11.224 6.164 13.269 1.00 10.00 O ATOM 803 ND2 ASN A 56 9.270 7.219 13.258 1.00 10.00 N ATOM 0 H ASN A 56 8.987 6.410 9.168 1.00 10.00 H new ATOM 0 HA ASN A 56 11.015 7.033 9.261 1.00 10.00 H new ATOM 0 HB2 ASN A 56 11.727 8.021 11.410 1.00 10.00 H new ATOM 0 HB3 ASN A 56 10.019 8.295 11.126 1.00 10.00 H new ATOM 0 HD21 ASN A 56 9.020 6.836 14.170 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.624 7.841 12.772 1.00 10.00 H new ATOM 810 N ASN A 57 11.742 4.231 10.133 1.00 10.00 N ATOM 811 CA ASN A 57 12.723 3.153 10.206 1.00 10.00 C ATOM 812 C ASN A 57 12.248 1.985 9.325 1.00 10.00 C ATOM 813 O ASN A 57 11.813 0.949 9.825 1.00 10.00 O ATOM 814 CB ASN A 57 12.911 2.724 11.673 1.00 10.00 C ATOM 815 CG ASN A 57 13.925 3.586 12.417 1.00 10.00 C ATOM 816 OD1 ASN A 57 15.122 3.343 12.340 1.00 10.00 O ATOM 817 ND2 ASN A 57 13.487 4.580 13.175 1.00 10.00 N ATOM 0 H ASN A 57 10.804 3.881 9.939 1.00 10.00 H new ATOM 0 HA ASN A 57 13.691 3.490 9.834 1.00 10.00 H new ATOM 0 HB2 ASN A 57 11.951 2.775 12.187 1.00 10.00 H new ATOM 0 HB3 ASN A 57 13.234 1.683 11.704 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.149 5.150 13.701 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.487 4.775 13.233 1.00 10.00 H new ATOM 824 N GLY A 58 12.311 2.163 8.001 1.00 10.00 N ATOM 825 CA GLY A 58 11.773 1.209 7.032 1.00 10.00 C ATOM 826 C GLY A 58 12.459 1.324 5.666 1.00 10.00 C ATOM 827 O GLY A 58 13.162 2.304 5.414 1.00 10.00 O ATOM 0 H GLY A 58 12.741 2.982 7.571 1.00 10.00 H new ATOM 0 HA2 GLY A 58 11.896 0.196 7.415 1.00 10.00 H new ATOM 0 HA3 GLY A 58 10.702 1.377 6.915 1.00 10.00 H new ATOM 831 N PRO A 59 12.268 0.328 4.782 1.00 10.00 N ATOM 832 CA PRO A 59 13.072 0.106 3.582 1.00 10.00 C ATOM 833 C PRO A 59 13.254 1.342 2.698 1.00 10.00 C ATOM 834 O PRO A 59 14.360 1.601 2.233 1.00 10.00 O ATOM 835 CB PRO A 59 12.409 -1.064 2.840 1.00 10.00 C ATOM 836 CG PRO A 59 11.016 -1.167 3.464 1.00 10.00 C ATOM 837 CD PRO A 59 11.263 -0.715 4.900 1.00 10.00 C ATOM 0 HA PRO A 59 14.098 -0.129 3.867 1.00 10.00 H new ATOM 0 HB2 PRO A 59 12.352 -0.874 1.768 1.00 10.00 H new ATOM 0 HB3 PRO A 59 12.972 -1.988 2.970 1.00 10.00 H new ATOM 0 HG2 PRO A 59 10.295 -0.527 2.955 1.00 10.00 H new ATOM 0 HG3 PRO A 59 10.626 -2.184 3.420 1.00 10.00 H new ATOM 0 HD2 PRO A 59 10.350 -0.337 5.360 1.00 10.00 H new ATOM 0 HD3 PRO A 59 11.616 -1.539 5.521 1.00 10.00 H new ATOM 845 N THR A 60 12.186 2.109 2.456 1.00 10.00 N ATOM 846 CA THR A 60 12.268 3.379 1.722 1.00 10.00 C ATOM 847 C THR A 60 12.962 3.220 0.355 1.00 10.00 C ATOM 848 O THR A 60 13.806 4.023 -0.035 1.00 10.00 O ATOM 849 CB THR A 60 12.927 4.453 2.615 1.00 10.00 C ATOM 850 OG1 THR A 60 12.269 4.476 3.867 1.00 10.00 O ATOM 851 CG2 THR A 60 12.814 5.872 2.048 1.00 10.00 C ATOM 0 H THR A 60 11.243 1.869 2.762 1.00 10.00 H new ATOM 0 HA THR A 60 11.258 3.714 1.487 1.00 10.00 H new ATOM 0 HB THR A 60 13.981 4.183 2.684 1.00 10.00 H new ATOM 0 HG1 THR A 60 12.586 3.729 4.417 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.298 6.575 2.726 1.00 10.00 H new ATOM 0 HG22 THR A 60 13.301 5.914 1.074 1.00 10.00 H new ATOM 0 HG23 THR A 60 11.762 6.138 1.940 1.00 10.00 H new ATOM 859 N LYS A 61 12.591 2.176 -0.392 1.00 10.00 N ATOM 860 CA LYS A 61 13.173 1.862 -1.694 1.00 10.00 C ATOM 861 C LYS A 61 12.121 1.189 -2.582 1.00 10.00 C ATOM 862 O LYS A 61 11.223 0.518 -2.080 1.00 10.00 O ATOM 863 CB LYS A 61 14.400 0.953 -1.500 1.00 10.00 C ATOM 864 CG LYS A 61 15.497 1.215 -2.542 1.00 10.00 C ATOM 865 CD LYS A 61 16.594 0.144 -2.416 1.00 10.00 C ATOM 866 CE LYS A 61 17.931 0.559 -3.049 1.00 10.00 C ATOM 867 NZ LYS A 61 17.810 0.874 -4.489 1.00 10.00 N ATOM 0 H LYS A 61 11.868 1.518 -0.102 1.00 10.00 H new ATOM 0 HA LYS A 61 13.497 2.779 -2.187 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.808 1.107 -0.501 1.00 10.00 H new ATOM 0 HB3 LYS A 61 14.089 -0.090 -1.560 1.00 10.00 H new ATOM 0 HG2 LYS A 61 15.071 1.198 -3.545 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.924 2.207 -2.394 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.754 -0.078 -1.361 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.248 -0.776 -2.887 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.322 1.430 -2.523 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.655 -0.245 -2.917 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 18.744 1.131 -4.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.447 0.042 -4.997 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 17.154 1.671 -4.616 1.00 10.00 H new ATOM 881 N CYS A 62 12.242 1.347 -3.902 1.00 10.00 N ATOM 882 CA CYS A 62 11.336 0.763 -4.898 1.00 10.00 C ATOM 883 C CYS A 62 11.123 -0.737 -4.666 1.00 10.00 C ATOM 884 O CYS A 62 9.991 -1.223 -4.609 1.00 10.00 O ATOM 885 CB CYS A 62 11.856 1.040 -6.290 1.00 10.00 C ATOM 886 SG CYS A 62 12.558 2.716 -6.468 1.00 10.00 S ATOM 0 H CYS A 62 12.991 1.898 -4.320 1.00 10.00 H new ATOM 0 HA CYS A 62 10.359 1.235 -4.790 1.00 10.00 H new ATOM 0 HB2 CYS A 62 12.620 0.304 -6.540 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.045 0.914 -7.007 1.00 10.00 H new ATOM 891 N GLY A 63 12.236 -1.448 -4.457 1.00 10.00 N ATOM 892 CA GLY A 63 12.275 -2.870 -4.137 1.00 10.00 C ATOM 893 C GLY A 63 11.568 -3.265 -2.834 1.00 10.00 C ATOM 894 O GLY A 63 11.321 -4.443 -2.608 1.00 10.00 O ATOM 0 H GLY A 63 13.165 -1.030 -4.509 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.823 -3.424 -4.960 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.317 -3.184 -4.076 1.00 10.00 H new ATOM 898 N GLY A 64 11.217 -2.295 -1.982 1.00 10.00 N ATOM 899 CA GLY A 64 10.334 -2.528 -0.844 1.00 10.00 C ATOM 900 C GLY A 64 8.909 -2.904 -1.276 1.00 10.00 C ATOM 901 O GLY A 64 8.167 -3.482 -0.485 1.00 10.00 O ATOM 0 H GLY A 64 11.538 -1.331 -2.065 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.746 -3.326 -0.226 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.299 -1.631 -0.226 1.00 10.00 H new ATOM 905 N CYS A 65 8.526 -2.571 -2.517 1.00 10.00 N ATOM 906 CA CYS A 65 7.223 -2.901 -3.093 1.00 10.00 C ATOM 907 C CYS A 65 7.364 -3.708 -4.387 1.00 10.00 C ATOM 908 O CYS A 65 6.801 -4.792 -4.508 1.00 10.00 O ATOM 909 CB CYS A 65 6.457 -1.636 -3.362 1.00 10.00 C ATOM 910 SG CYS A 65 6.026 -0.774 -1.821 1.00 10.00 S ATOM 0 H CYS A 65 9.128 -2.054 -3.158 1.00 10.00 H new ATOM 0 HA CYS A 65 6.683 -3.517 -2.374 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.052 -0.977 -3.994 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.547 -1.871 -3.915 1.00 10.00 H new ATOM 915 N HIS A 66 8.082 -3.171 -5.373 1.00 10.00 N ATOM 916 CA HIS A 66 8.203 -3.801 -6.679 1.00 10.00 C ATOM 917 C HIS A 66 9.137 -5.024 -6.618 1.00 10.00 C ATOM 918 O HIS A 66 10.277 -4.894 -6.174 1.00 10.00 O ATOM 919 CB HIS A 66 8.725 -2.762 -7.675 1.00 10.00 C ATOM 920 CG HIS A 66 7.794 -1.618 -7.946 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.914 -1.586 -8.983 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.710 -0.411 -7.308 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.303 -0.398 -8.988 1.00 10.00 C ATOM 924 NE2 HIS A 66 6.747 0.369 -7.982 1.00 10.00 N ATOM 0 H HIS A 66 8.592 -2.292 -5.286 1.00 10.00 H new ATOM 0 HA HIS A 66 7.226 -4.160 -7.003 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.667 -2.363 -7.300 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.944 -3.263 -8.618 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.748 -2.343 -9.646 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.280 -0.109 -6.442 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.554 -0.097 -9.705 1.00 10.00 H new ATOM 932 N ILE A 67 8.699 -6.191 -7.107 1.00 10.00 N ATOM 933 CA ILE A 67 9.592 -7.352 -7.217 1.00 10.00 C ATOM 934 C ILE A 67 10.858 -7.007 -8.023 1.00 10.00 C ATOM 935 O ILE A 67 10.777 -6.400 -9.091 1.00 10.00 O ATOM 936 CB ILE A 67 8.864 -8.568 -7.819 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.591 -8.958 -7.046 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.806 -9.779 -7.911 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.794 -9.222 -5.549 1.00 10.00 C ATOM 0 H ILE A 67 7.745 -6.356 -7.429 1.00 10.00 H new ATOM 0 HA ILE A 67 9.903 -7.622 -6.208 1.00 10.00 H new ATOM 0 HB ILE A 67 8.553 -8.266 -8.819 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.856 -8.162 -7.162 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.167 -9.852 -7.503 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.269 -10.626 -8.339 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.657 -9.531 -8.545 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.160 -10.041 -6.914 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.840 -9.489 -5.094 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.501 -10.041 -5.417 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.185 -8.324 -5.071 1.00 10.00 H new ATOM 951 N LYS A 68 12.023 -7.389 -7.492 1.00 10.00 N ATOM 952 CA LYS A 68 13.354 -7.124 -8.025 1.00 10.00 C ATOM 953 C LYS A 68 14.345 -8.026 -7.284 1.00 10.00 C ATOM 954 O LYS A 68 13.923 -8.625 -6.265 1.00 10.00 O ATOM 955 CB LYS A 68 13.714 -5.643 -7.839 1.00 10.00 C ATOM 956 CG LYS A 68 13.943 -5.314 -6.358 1.00 10.00 C ATOM 957 CD LYS A 68 15.433 -5.237 -5.960 1.00 10.00 C ATOM 958 CE LYS A 68 15.816 -6.058 -4.716 1.00 10.00 C ATOM 959 NZ LYS A 68 15.869 -7.507 -5.006 1.00 10.00 N ATOM 960 OXT LYS A 68 15.566 -7.947 -7.551 1.00 10.00 O ATOM 0 H LYS A 68 12.059 -7.925 -6.625 1.00 10.00 H new ATOM 0 HA LYS A 68 13.388 -7.337 -9.093 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.612 -5.409 -8.410 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.913 -5.018 -8.234 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.466 -4.361 -6.129 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.452 -6.071 -5.747 1.00 10.00 H new ATOM 0 HD2 LYS A 68 16.037 -5.577 -6.801 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.693 -4.193 -5.783 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.786 -5.726 -4.347 1.00 10.00 H new ATOM 0 HE3 LYS A 68 15.092 -5.873 -3.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.481 -7.978 -4.309 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 14.911 -7.907 -4.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.253 -7.656 -5.961 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.687 -1.651 0.898 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.498 -0.486 -2.143 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.789 -2.333 1.611 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.648 -3.228 3.639 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.663 -0.369 0.515 1.00 10.00 C HETATM 980 NA HEC A 130 -11.282 -1.464 -0.060 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.438 -0.977 -1.310 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.840 -1.000 -1.659 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.500 -1.502 -0.575 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.486 -1.796 0.414 1.00 10.00 C HETATM 985 CMA HEC A 130 -15.001 -1.697 -0.475 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.502 -0.493 -2.923 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.649 -1.560 -4.019 1.00 10.00 C HETATM 988 CGA HEC A 130 -14.430 -1.074 -5.258 1.00 10.00 C HETATM 989 O1A HEC A 130 -14.889 0.093 -5.239 1.00 10.00 O HETATM 990 O2A HEC A 130 -14.555 -1.882 -6.204 1.00 10.00 O HETATM 991 NB HEC A 130 -10.539 -2.575 2.346 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.844 -2.711 2.480 1.00 10.00 C HETATM 993 C2B HEC A 130 -12.155 -3.389 3.722 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.951 -3.676 4.312 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.955 -3.153 3.401 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.540 -3.733 4.242 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.695 -4.446 5.608 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.941 -5.952 5.456 1.00 10.00 C HETATM 999 NC HEC A 130 -8.034 -1.797 1.834 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.792 -2.512 2.929 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.408 -2.390 3.320 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.906 -1.398 2.532 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.916 -1.156 1.540 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.679 -3.145 4.414 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.682 -0.539 2.786 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.358 -1.204 2.424 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.765 -0.624 -0.527 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.514 -0.203 -0.463 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.125 0.454 -1.682 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.213 0.381 -2.496 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.251 -0.270 -1.718 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.757 0.996 -2.068 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.256 0.947 -3.897 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.712 0.028 -5.000 1.00 10.00 C HETATM 1015 CGD HEC A 130 -7.750 0.726 -6.379 1.00 10.00 C HETATM 1016 O1D HEC A 130 -8.869 1.095 -6.802 1.00 10.00 O HETATM 1017 O2D HEC A 130 -6.663 0.893 -6.985 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.452 1.759 -1.351 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -5.030 0.184 -2.065 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.807 1.434 -3.065 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -6.157 -2.947 5.373 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.715 -4.214 4.204 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.640 -2.818 4.452 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -14.119 -2.818 4.367 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -14.044 -4.387 3.530 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.452 -4.241 5.202 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.502 -0.737 -0.598 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.332 -2.381 -1.256 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.250 -2.113 0.501 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.688 -0.261 -4.764 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.301 -0.888 -5.037 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.235 -2.113 3.012 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.355 -1.455 1.363 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.537 -0.520 2.637 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.977 -6.124 5.163 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -10.277 -6.354 4.691 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.745 -6.450 6.405 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -12.657 -1.887 -4.331 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.154 -2.431 -3.601 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.289 1.200 -4.136 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.689 1.878 -3.911 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.489 -0.104 -2.674 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.921 0.341 -3.317 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.712 0.162 0.481 1.00 10.00 H new HETATM 0 HHC HEC A 130 -8.279 -3.886 4.426 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.837 -2.464 1.881 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.760 -0.262 -3.177 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.126 0.076 -6.924 1.00 10.00 H new HETATM 0 H2A HEC A 130 -15.068 -1.463 -6.926 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.145 -3.057 3.413 1.00 10.00 FE HETATM 1051 CHA HEC A 153 3.558 -5.863 4.480 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.978 -3.735 0.320 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.141 -0.633 2.440 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.854 -1.976 6.584 1.00 10.00 C HETATM 1055 NA HEC A 153 3.097 -4.482 2.580 1.00 10.00 N HETATM 1056 C1A HEC A 153 3.581 -5.581 3.175 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.238 -6.421 2.199 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.121 -5.767 1.006 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.367 -4.567 1.284 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.608 -6.253 -0.345 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.079 -7.659 2.445 1.00 10.00 C HETATM 1062 CBA HEC A 153 6.564 -7.306 2.645 1.00 10.00 C HETATM 1063 CGA HEC A 153 7.488 -8.523 2.826 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.423 -8.413 3.651 1.00 10.00 O HETATM 1065 O2A HEC A 153 7.254 -9.536 2.129 1.00 10.00 O HETATM 1066 NB HEC A 153 1.651 -2.338 1.735 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.126 -2.729 0.560 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.571 -1.917 -0.503 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.663 -1.077 0.092 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.788 -1.348 1.515 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.933 -1.998 -1.975 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.294 -0.076 -0.588 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.096 0.233 -2.069 1.00 10.00 C HETATM 1074 NC HEC A 153 1.183 -1.602 4.331 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.397 -0.727 3.738 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.153 0.209 4.697 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.392 -0.127 5.904 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.212 -1.297 5.633 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.123 1.354 4.440 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.246 0.661 7.213 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.176 0.832 7.754 1.00 10.00 C HETATM 1082 ND HEC A 153 2.620 -3.757 5.143 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.420 -3.158 6.323 1.00 10.00 C HETATM 1084 C2D HEC A 153 2.853 -4.021 7.395 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.214 -5.195 6.804 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.144 -4.963 5.379 1.00 10.00 C HETATM 1087 CMD HEC A 153 2.782 -3.741 8.886 1.00 10.00 C HETATM 1088 CAD HEC A 153 3.385 -6.517 7.522 1.00 10.00 C HETATM 1089 CBD HEC A 153 4.647 -6.660 8.388 1.00 10.00 C HETATM 1090 CGD HEC A 153 4.329 -7.559 9.592 1.00 10.00 C HETATM 1091 O1D HEC A 153 4.113 -8.777 9.393 1.00 10.00 O HETATM 1092 O2D HEC A 153 4.067 -7.040 10.704 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.363 -2.848 9.117 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 1.744 -3.584 9.178 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.189 -4.590 9.435 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.678 2.057 3.736 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.049 0.959 4.021 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.338 1.866 5.378 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.996 -1.792 -2.100 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.711 -2.997 -2.350 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.353 -1.264 -2.533 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.687 -6.403 -0.310 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.118 -7.195 -0.591 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.369 -5.511 -1.106 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 5.459 -7.090 7.802 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 4.983 -5.680 8.728 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.784 1.361 7.020 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.612 -0.148 7.947 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.146 1.405 8.681 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.898 0.652 -2.224 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.197 -0.684 -2.649 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -0.847 0.953 -2.394 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 6.907 -6.730 1.786 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 6.657 -6.661 3.519 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 2.514 -6.677 8.157 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 3.388 -7.313 6.778 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 4.707 -8.183 3.326 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 4.977 -8.342 1.602 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.918 -1.561 7.590 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.634 0.060 2.112 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.362 -3.876 -0.690 1.00 10.00 H new HETATM 0 HHA HEC A 153 3.883 -6.846 4.820 1.00 10.00 H new HETATM 0 H2D HEC A 153 4.719 -7.345 11.369 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.917 -10.230 2.328 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.068 2.196 -7.666 1.00 10.00 FE HETATM 1126 CHA HEC A 166 3.747 1.904 -10.038 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.248 3.254 -9.935 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.284 2.828 -5.269 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.036 0.782 -5.474 1.00 10.00 C HETATM 1130 NA HEC A 166 5.995 2.562 -9.551 1.00 10.00 N HETATM 1131 C1A HEC A 166 4.939 2.403 -10.358 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.288 2.779 -11.713 1.00 10.00 C HETATM 1133 C3A HEC A 166 6.592 3.164 -11.671 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.006 2.986 -10.304 1.00 10.00 C HETATM 1135 CMA HEC A 166 7.426 3.685 -12.827 1.00 10.00 C HETATM 1136 CAA HEC A 166 4.474 2.647 -12.982 1.00 10.00 C HETATM 1137 CBA HEC A 166 4.866 1.427 -13.823 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.080 1.318 -15.142 1.00 10.00 C HETATM 1139 O1A HEC A 166 3.885 0.164 -15.592 1.00 10.00 O HETATM 1140 O2A HEC A 166 3.709 2.387 -15.678 1.00 10.00 O HETATM 1141 NB HEC A 166 7.886 2.871 -7.611 1.00 10.00 N HETATM 1142 C1B HEC A 166 8.617 3.202 -8.667 1.00 10.00 C HETATM 1143 C2B HEC A 166 9.948 3.589 -8.273 1.00 10.00 C HETATM 1144 C3B HEC A 166 9.968 3.510 -6.909 1.00 10.00 C HETATM 1145 C4B HEC A 166 8.646 3.042 -6.534 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.068 4.026 -9.205 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.164 3.786 -6.005 1.00 10.00 C HETATM 1148 CBB HEC A 166 11.614 5.252 -6.019 1.00 10.00 C HETATM 1149 NC HEC A 166 6.140 1.894 -5.778 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.124 2.247 -4.965 1.00 10.00 C HETATM 1151 C2C HEC A 166 6.828 1.869 -3.606 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.620 1.231 -3.654 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.205 1.283 -5.046 1.00 10.00 C HETATM 1154 CMC HEC A 166 7.750 2.031 -2.408 1.00 10.00 C HETATM 1155 CAC HEC A 166 4.938 0.510 -2.498 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.441 1.432 -1.381 1.00 10.00 C HETATM 1157 ND HEC A 166 4.269 1.434 -7.765 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.620 0.897 -6.741 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.294 0.495 -7.156 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.153 0.895 -8.454 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.452 1.427 -8.831 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.183 -0.100 -6.310 1.00 10.00 C HETATM 1163 CAD HEC A 166 0.804 0.956 -9.173 1.00 10.00 C HETATM 1164 CBD HEC A 166 0.732 0.699 -10.693 1.00 10.00 C HETATM 1165 CGD HEC A 166 0.635 1.994 -11.553 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.051 3.081 -11.085 1.00 10.00 O HETATM 1167 O2D HEC A 166 0.205 1.949 -12.722 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.523 -1.037 -5.870 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 0.917 0.598 -5.516 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.310 -0.288 -6.936 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.668 1.468 -2.577 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 7.991 3.086 -2.274 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.253 1.656 -1.513 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.292 3.222 -9.906 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 10.757 4.913 -9.757 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 11.959 4.257 -8.620 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 7.474 2.929 -13.611 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 6.970 4.592 -13.225 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 8.434 3.909 -12.477 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 1.616 0.138 -10.998 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 -0.133 0.070 -10.904 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.284 1.980 -0.960 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.716 2.137 -1.787 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 3.969 0.836 -0.600 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 11.898 5.536 -7.032 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 10.795 5.887 -5.681 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 12.469 5.377 -5.354 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 5.932 1.476 -14.046 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.704 0.523 -13.236 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.145 0.234 -8.690 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.383 1.945 -8.990 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 3.417 2.578 -12.723 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 4.597 3.549 -13.581 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.399 0.260 -4.760 1.00 10.00 H new HETATM 0 HHC HEC A 166 8.952 3.135 -4.465 1.00 10.00 H new HETATM 0 HHB HEC A 166 8.983 3.524 -10.693 1.00 10.00 H new HETATM 0 HHA HEC A 166 2.972 1.885 -10.804 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.238 2.188 -16.514 1.00 10.00 H new