USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 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 Set 1.1: A 45 HIS : no HD1:sc= -0.648 K(o=-0.63,f=-1.5) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.0148 USER MOD Set 2.1: A 25 CYS SG : rot 18:sc= 1.26 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.904 K(o=3.2,f=0.68) USER MOD Set 2.3: A 53 TYR OH : rot 5:sc= 1.02 USER MOD Set 3.1: A 10 TYR OH : rot 19:sc= 1.28 USER MOD Set 3.2: A 38 HIS : no HE2:sc= -1.03 K(o=0.24,f=-9.3!) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= 0.897! (180deg=0.171!) USER MOD Single : A 5 ASN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.129 USER MOD Single : A 8 SER OG : rot -32:sc= 0.24 USER MOD Single : A 11 THR OG1 : rot -100:sc= 0.118 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 2.24 (180deg=0.249) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0.868 (180deg=0.757) USER MOD Single : A 24 ASN : amide:sc= 0.576 K(o=0.58,f=-0.068) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.477 (180deg=-0.388!) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 1.35 (180deg=0.0175!) USER MOD Single : A 35 ASN : amide:sc= -6.32! X(o=-6.3!,f=-6.1) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 147:sc= 1.34 USER MOD Single : A 49 SER OG : rot 180:sc= 0.133 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0034) USER MOD Single : A 59 ASN : amide:sc= -0.39 K(o=-0.39,f=-3!) USER MOD Single : A 62 SER OG : rot 52:sc= 0.643 USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 1.26 (180deg=0.567) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 1.05 (180deg=-0.611!) USER MOD Single : A 77 ASN : amide:sc= 0.527 K(o=0.53,f=-0.086) USER MOD Single : A 79 LYS NZ :NH3+ 148:sc= 0.94 (180deg=-0.0793) USER MOD Single : A 80 SER OG : rot 147:sc= 1.29 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= -0.0636 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.751 4.525 -0.299 1.00 0.00 N ATOM 34 CA LEU A 3 11.626 4.621 -1.180 1.00 0.00 C ATOM 35 C LEU A 3 11.036 6.035 -1.236 1.00 0.00 C ATOM 36 O LEU A 3 11.314 6.892 -0.392 1.00 0.00 O ATOM 37 CB LEU A 3 10.581 3.576 -0.751 1.00 0.00 C ATOM 38 CG LEU A 3 10.988 2.113 -1.024 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.040 1.166 -0.286 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.963 1.785 -2.523 1.00 0.00 C ATOM 0 HA LEU A 3 11.956 4.412 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.386 3.692 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.645 3.782 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 3 12.008 1.982 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.331 0.134 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.092 1.361 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.020 1.327 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.256 0.746 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.956 1.938 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.659 2.438 -3.050 1.00 0.00 H new ATOM 52 N LYS A 4 10.160 6.263 -2.224 1.00 0.00 N ATOM 53 CA LYS A 4 9.455 7.527 -2.435 1.00 0.00 C ATOM 54 C LYS A 4 8.823 7.975 -1.135 1.00 0.00 C ATOM 55 O LYS A 4 8.043 7.251 -0.530 1.00 0.00 O ATOM 56 CB LYS A 4 8.437 7.441 -3.573 1.00 0.00 C ATOM 57 CG LYS A 4 8.951 6.800 -4.870 1.00 0.00 C ATOM 58 CD LYS A 4 7.831 6.774 -5.921 1.00 0.00 C ATOM 59 CE LYS A 4 8.410 7.036 -7.312 1.00 0.00 C ATOM 60 NZ LYS A 4 7.351 7.326 -8.293 1.00 0.00 N ATOM 0 H LYS A 4 9.918 5.552 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 4 10.179 8.279 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.575 6.873 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.085 8.447 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.805 7.361 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.299 5.786 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.328 5.807 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.081 7.528 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.104 7.875 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.982 6.167 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.774 7.742 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.860 6.444 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.671 7.996 -7.881 1.00 0.00 H new ATOM 74 N ASN A 5 9.202 9.171 -0.694 1.00 0.00 N ATOM 75 CA ASN A 5 8.934 9.629 0.659 1.00 0.00 C ATOM 76 C ASN A 5 7.455 9.972 0.845 1.00 0.00 C ATOM 77 O ASN A 5 7.072 10.392 1.936 1.00 0.00 O ATOM 78 CB ASN A 5 9.804 10.855 1.002 1.00 0.00 C ATOM 79 CG ASN A 5 11.322 10.662 1.005 1.00 0.00 C ATOM 80 OD1 ASN A 5 12.047 11.632 1.181 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.865 9.473 0.786 1.00 0.00 N ATOM 0 H ASN A 5 9.704 9.848 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 5 9.186 8.814 1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.566 11.646 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.508 11.213 1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.880 9.372 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.268 8.659 0.638 1.00 0.00 H new ATOM 88 N SER A 6 6.608 9.894 -0.190 1.00 0.00 N ATOM 89 CA SER A 6 5.198 10.185 -0.046 1.00 0.00 C ATOM 90 C SER A 6 4.360 9.468 -1.093 1.00 0.00 C ATOM 91 O SER A 6 4.800 9.287 -2.230 1.00 0.00 O ATOM 92 CB SER A 6 4.997 11.676 -0.242 1.00 0.00 C ATOM 93 OG SER A 6 5.853 12.478 0.550 1.00 0.00 O ATOM 0 H SER A 6 6.888 9.630 -1.135 1.00 0.00 H new ATOM 0 HA SER A 6 4.884 9.851 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.156 11.919 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.962 11.927 -0.010 1.00 0.00 H new ATOM 0 HG SER A 6 5.671 13.425 0.373 1.00 0.00 H new ATOM 99 N ILE A 7 3.100 9.200 -0.747 1.00 0.00 N ATOM 100 CA ILE A 7 2.100 8.607 -1.635 1.00 0.00 C ATOM 101 C ILE A 7 1.942 9.443 -2.908 1.00 0.00 C ATOM 102 O ILE A 7 1.778 8.874 -3.976 1.00 0.00 O ATOM 103 CB ILE A 7 0.763 8.418 -0.874 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.650 7.030 -0.216 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.501 8.687 -1.694 1.00 0.00 C ATOM 106 CD1 ILE A 7 0.255 5.839 -1.068 1.00 0.00 C ATOM 0 H ILE A 7 2.737 9.395 0.186 1.00 0.00 H new ATOM 0 HA ILE A 7 2.436 7.620 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 7 0.810 9.191 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.614 6.803 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.075 7.109 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.380 8.527 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.491 9.717 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.533 8.009 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.223 4.943 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.729 6.014 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.986 5.703 -1.865 1.00 0.00 H new ATOM 118 N SER A 8 2.001 10.774 -2.849 1.00 0.00 N ATOM 119 CA SER A 8 1.793 11.560 -4.064 1.00 0.00 C ATOM 120 C SER A 8 3.022 11.537 -4.979 1.00 0.00 C ATOM 121 O SER A 8 2.912 12.006 -6.121 1.00 0.00 O ATOM 122 CB SER A 8 1.377 12.988 -3.686 1.00 0.00 C ATOM 123 OG SER A 8 0.986 13.735 -4.820 1.00 0.00 O ATOM 0 H SER A 8 2.185 11.315 -2.004 1.00 0.00 H new ATOM 0 HA SER A 8 0.986 11.107 -4.640 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.553 12.951 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.207 13.489 -3.188 1.00 0.00 H new ATOM 0 HG SER A 8 1.504 13.442 -5.599 1.00 0.00 H new ATOM 129 N ASP A 9 4.174 11.002 -4.541 1.00 0.00 N ATOM 130 CA ASP A 9 5.182 10.637 -5.525 1.00 0.00 C ATOM 131 C ASP A 9 4.944 9.235 -6.082 1.00 0.00 C ATOM 132 O ASP A 9 5.289 8.964 -7.237 1.00 0.00 O ATOM 133 CB ASP A 9 6.626 10.749 -5.058 1.00 0.00 C ATOM 134 CG ASP A 9 7.521 10.615 -6.310 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.137 11.168 -7.377 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.523 9.878 -6.233 1.00 0.00 O ATOM 0 H ASP A 9 4.415 10.824 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 9 5.055 11.387 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.797 11.705 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.858 9.968 -4.334 1.00 0.00 H new ATOM 141 N TYR A 10 4.319 8.349 -5.302 1.00 0.00 N ATOM 142 CA TYR A 10 3.847 7.084 -5.812 1.00 0.00 C ATOM 143 C TYR A 10 2.814 7.370 -6.903 1.00 0.00 C ATOM 144 O TYR A 10 2.224 8.449 -7.005 1.00 0.00 O ATOM 145 CB TYR A 10 3.274 6.217 -4.674 1.00 0.00 C ATOM 146 CG TYR A 10 4.290 5.368 -3.949 1.00 0.00 C ATOM 147 CD1 TYR A 10 5.085 5.884 -2.907 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.421 4.024 -4.319 1.00 0.00 C ATOM 149 CE1 TYR A 10 6.082 5.078 -2.336 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.395 3.209 -3.732 1.00 0.00 C ATOM 151 CZ TYR A 10 6.262 3.746 -2.766 1.00 0.00 C ATOM 152 OH TYR A 10 7.242 2.968 -2.246 1.00 0.00 O ATOM 0 H TYR A 10 4.133 8.497 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 10 4.669 6.513 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.785 6.869 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.504 5.564 -5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.929 6.891 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.761 3.611 -5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.717 5.481 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.480 2.172 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 10 7.542 3.346 -1.393 1.00 0.00 H new ATOM 162 N THR A 11 2.577 6.362 -7.716 1.00 0.00 N ATOM 163 CA THR A 11 1.530 6.197 -8.672 1.00 0.00 C ATOM 164 C THR A 11 0.755 4.995 -8.176 1.00 0.00 C ATOM 165 O THR A 11 1.235 4.184 -7.376 1.00 0.00 O ATOM 166 CB THR A 11 2.120 5.944 -10.068 1.00 0.00 C ATOM 167 OG1 THR A 11 2.916 4.796 -10.032 1.00 0.00 O ATOM 168 CG2 THR A 11 3.015 7.067 -10.582 1.00 0.00 C ATOM 0 H THR A 11 3.193 5.549 -7.712 1.00 0.00 H new ATOM 0 HA THR A 11 0.896 7.079 -8.765 1.00 0.00 H new ATOM 0 HB THR A 11 1.261 5.856 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.859 5.054 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.390 6.809 -11.572 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.441 7.992 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.855 7.204 -9.901 1.00 0.00 H new ATOM 176 N GLU A 12 -0.447 4.876 -8.696 1.00 0.00 N ATOM 177 CA GLU A 12 -1.365 3.833 -8.359 1.00 0.00 C ATOM 178 C GLU A 12 -0.805 2.423 -8.619 1.00 0.00 C ATOM 179 O GLU A 12 -1.080 1.487 -7.867 1.00 0.00 O ATOM 180 CB GLU A 12 -2.614 4.219 -9.136 1.00 0.00 C ATOM 181 CG GLU A 12 -3.801 3.446 -8.629 1.00 0.00 C ATOM 182 CD GLU A 12 -5.135 4.188 -8.780 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.292 5.275 -8.178 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.084 3.646 -9.390 1.00 0.00 O ATOM 0 H GLU A 12 -0.816 5.529 -9.387 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.580 3.755 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.798 5.289 -9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.467 4.019 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.861 2.498 -9.164 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.645 3.209 -7.577 1.00 0.00 H new ATOM 191 N THR A 13 0.047 2.266 -9.633 1.00 0.00 N ATOM 192 CA THR A 13 0.613 0.967 -9.983 1.00 0.00 C ATOM 193 C THR A 13 1.969 0.747 -9.290 1.00 0.00 C ATOM 194 O THR A 13 2.299 -0.396 -8.992 1.00 0.00 O ATOM 195 CB THR A 13 0.737 0.868 -11.516 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.365 1.493 -12.157 1.00 0.00 O ATOM 197 CG2 THR A 13 0.803 -0.583 -12.000 1.00 0.00 C ATOM 0 H THR A 13 0.361 3.031 -10.230 1.00 0.00 H new ATOM 0 HA THR A 13 -0.051 0.177 -9.631 1.00 0.00 H new ATOM 0 HB THR A 13 1.667 1.375 -11.776 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.263 1.419 -13.129 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.890 -0.601 -13.086 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.670 -1.075 -11.559 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.104 -1.108 -11.700 1.00 0.00 H new ATOM 205 N GLU A 14 2.753 1.783 -8.962 1.00 0.00 N ATOM 206 CA GLU A 14 3.907 1.615 -8.087 1.00 0.00 C ATOM 207 C GLU A 14 3.465 1.196 -6.696 1.00 0.00 C ATOM 208 O GLU A 14 4.114 0.341 -6.096 1.00 0.00 O ATOM 209 CB GLU A 14 4.683 2.922 -7.980 1.00 0.00 C ATOM 210 CG GLU A 14 5.399 3.224 -9.294 1.00 0.00 C ATOM 211 CD GLU A 14 6.043 4.605 -9.222 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.287 5.589 -9.050 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.279 4.750 -9.285 1.00 0.00 O ATOM 0 H GLU A 14 2.606 2.738 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 14 4.544 0.841 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.003 3.737 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.409 2.856 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.159 2.467 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.692 3.185 -10.122 1.00 0.00 H new ATOM 220 N PHE A 15 2.367 1.768 -6.181 1.00 0.00 N ATOM 221 CA PHE A 15 1.892 1.329 -4.883 1.00 0.00 C ATOM 222 C PHE A 15 1.359 -0.088 -4.977 1.00 0.00 C ATOM 223 O PHE A 15 1.528 -0.844 -4.025 1.00 0.00 O ATOM 224 CB PHE A 15 0.869 2.280 -4.271 1.00 0.00 C ATOM 225 CG PHE A 15 0.802 2.146 -2.760 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.948 2.413 -1.986 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.386 1.760 -2.111 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.879 2.404 -0.586 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.463 1.812 -0.711 1.00 0.00 C ATOM 230 CZ PHE A 15 0.652 2.192 0.054 1.00 0.00 C ATOM 0 H PHE A 15 1.819 2.503 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 15 2.743 1.339 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.126 3.306 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.114 2.079 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.887 2.626 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.235 1.425 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.773 2.561 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.389 1.557 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.564 2.319 1.123 1.00 0.00 H new ATOM 240 N LYS A 16 0.824 -0.513 -6.133 1.00 0.00 N ATOM 241 CA LYS A 16 0.694 -1.927 -6.345 1.00 0.00 C ATOM 242 C LYS A 16 2.005 -2.649 -6.213 1.00 0.00 C ATOM 243 O LYS A 16 2.024 -3.594 -5.456 1.00 0.00 O ATOM 244 CB LYS A 16 0.187 -2.203 -7.745 1.00 0.00 C ATOM 245 CG LYS A 16 -0.748 -3.386 -7.642 1.00 0.00 C ATOM 246 CD LYS A 16 -2.158 -2.821 -7.668 1.00 0.00 C ATOM 247 CE LYS A 16 -2.480 -2.700 -9.144 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.841 -4.033 -9.695 1.00 0.00 N ATOM 0 H LYS A 16 0.494 0.085 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.000 -2.283 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.332 -1.333 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.014 -2.421 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.591 -4.078 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.570 -3.943 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.861 -3.480 -7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.209 -1.854 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.304 -2.002 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.622 -2.296 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.481 -4.116 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.419 -4.778 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.876 -4.139 -9.699 1.00 0.00 H new ATOM 262 N LYS A 17 3.067 -2.288 -6.942 1.00 0.00 N ATOM 263 CA LYS A 17 4.255 -3.119 -6.976 1.00 0.00 C ATOM 264 C LYS A 17 4.751 -3.386 -5.565 1.00 0.00 C ATOM 265 O LYS A 17 5.276 -4.461 -5.362 1.00 0.00 O ATOM 266 CB LYS A 17 5.330 -2.475 -7.864 1.00 0.00 C ATOM 267 CG LYS A 17 6.217 -3.489 -8.607 1.00 0.00 C ATOM 268 CD LYS A 17 7.246 -4.291 -7.777 1.00 0.00 C ATOM 269 CE LYS A 17 6.858 -5.775 -7.646 1.00 0.00 C ATOM 270 NZ LYS A 17 7.896 -6.614 -6.999 1.00 0.00 N ATOM 0 H LYS A 17 3.120 -1.439 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 17 4.010 -4.085 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.844 -1.829 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.963 -1.838 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.563 -4.202 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.760 -2.952 -9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.227 -4.214 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.331 -3.851 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.935 -5.849 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.649 -6.174 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.617 -7.614 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.804 -6.481 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.996 -6.335 -6.002 1.00 0.00 H new ATOM 284 N ILE A 18 4.548 -2.485 -4.605 1.00 0.00 N ATOM 285 CA ILE A 18 4.795 -2.786 -3.201 1.00 0.00 C ATOM 286 C ILE A 18 3.811 -3.848 -2.688 1.00 0.00 C ATOM 287 O ILE A 18 4.188 -4.968 -2.365 1.00 0.00 O ATOM 288 CB ILE A 18 4.891 -1.453 -2.413 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.288 -1.476 -1.755 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.757 -1.011 -1.463 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.478 -0.419 -0.690 1.00 0.00 C ATOM 0 H ILE A 18 4.212 -1.538 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 18 5.760 -3.269 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 18 4.744 -0.653 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.455 -2.458 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.045 -1.341 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.015 -0.054 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.830 -0.907 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.625 -1.759 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.482 -0.498 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.344 0.569 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.745 -0.565 0.103 1.00 0.00 H new ATOM 303 N ILE A 19 2.527 -3.538 -2.651 1.00 0.00 N ATOM 304 CA ILE A 19 1.535 -4.338 -1.951 1.00 0.00 C ATOM 305 C ILE A 19 1.287 -5.700 -2.641 1.00 0.00 C ATOM 306 O ILE A 19 1.030 -6.707 -1.980 1.00 0.00 O ATOM 307 CB ILE A 19 0.318 -3.381 -1.856 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.411 -2.566 -0.557 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.084 -3.939 -2.040 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.169 -3.414 0.690 1.00 0.00 C ATOM 0 H ILE A 19 2.139 -2.715 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 19 1.837 -4.667 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 19 0.422 -2.769 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.397 -2.105 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.318 -1.756 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.812 -3.134 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.170 -4.387 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.277 -4.697 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.247 -2.786 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.827 -3.854 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.914 -4.208 0.740 1.00 0.00 H new ATOM 322 N GLU A 20 1.408 -5.764 -3.966 1.00 0.00 N ATOM 323 CA GLU A 20 1.467 -6.990 -4.744 1.00 0.00 C ATOM 324 C GLU A 20 2.706 -7.791 -4.340 1.00 0.00 C ATOM 325 O GLU A 20 2.563 -8.974 -4.041 1.00 0.00 O ATOM 326 CB GLU A 20 1.338 -6.744 -6.250 1.00 0.00 C ATOM 327 CG GLU A 20 0.003 -7.195 -6.883 1.00 0.00 C ATOM 328 CD GLU A 20 -0.332 -6.553 -8.248 1.00 0.00 C ATOM 329 OE1 GLU A 20 0.594 -6.309 -9.051 1.00 0.00 O ATOM 330 OE2 GLU A 20 -1.525 -6.214 -8.482 1.00 0.00 O ATOM 0 H GLU A 20 1.470 -4.927 -4.546 1.00 0.00 H new ATOM 0 HA GLU A 20 0.595 -7.601 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.469 -5.679 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.153 -7.260 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.026 -8.278 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.805 -6.970 -6.186 1.00 0.00 H new ATOM 337 N ASP A 21 3.904 -7.183 -4.295 1.00 0.00 N ATOM 338 CA ASP A 21 5.162 -7.856 -3.922 1.00 0.00 C ATOM 339 C ASP A 21 5.027 -8.562 -2.579 1.00 0.00 C ATOM 340 O ASP A 21 5.443 -9.710 -2.454 1.00 0.00 O ATOM 341 CB ASP A 21 6.299 -6.827 -3.889 1.00 0.00 C ATOM 342 CG ASP A 21 7.692 -7.331 -3.584 1.00 0.00 C ATOM 343 OD1 ASP A 21 7.924 -8.020 -2.570 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.602 -6.956 -4.366 1.00 0.00 O ATOM 0 H ASP A 21 4.028 -6.196 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 21 5.392 -8.617 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.327 -6.327 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.046 -6.070 -3.147 1.00 0.00 H new ATOM 349 N ILE A 22 4.350 -7.914 -1.633 1.00 0.00 N ATOM 350 CA ILE A 22 3.997 -8.438 -0.323 1.00 0.00 C ATOM 351 C ILE A 22 3.228 -9.756 -0.418 1.00 0.00 C ATOM 352 O ILE A 22 3.609 -10.734 0.217 1.00 0.00 O ATOM 353 CB ILE A 22 3.263 -7.315 0.458 1.00 0.00 C ATOM 354 CG1 ILE A 22 4.213 -6.810 1.552 1.00 0.00 C ATOM 355 CG2 ILE A 22 1.876 -7.617 1.056 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.547 -5.778 2.454 1.00 0.00 C ATOM 0 H ILE A 22 4.017 -6.960 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 22 4.892 -8.708 0.238 1.00 0.00 H new ATOM 0 HB ILE A 22 3.021 -6.568 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.553 -7.652 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.097 -6.371 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.500 -6.731 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.188 -7.894 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.957 -8.440 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.255 -5.448 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.231 -4.923 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.678 -6.224 2.937 1.00 0.00 H new ATOM 368 N ILE A 23 2.131 -9.781 -1.170 1.00 0.00 N ATOM 369 CA ILE A 23 1.215 -10.930 -1.191 1.00 0.00 C ATOM 370 C ILE A 23 1.768 -12.094 -2.015 1.00 0.00 C ATOM 371 O ILE A 23 1.532 -13.252 -1.680 1.00 0.00 O ATOM 372 CB ILE A 23 -0.163 -10.426 -1.659 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.898 -9.910 -0.387 1.00 0.00 C ATOM 374 CG2 ILE A 23 -1.053 -11.479 -2.346 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.976 -8.845 -0.593 1.00 0.00 C ATOM 0 H ILE A 23 1.849 -9.014 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 23 1.106 -11.350 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 23 0.011 -9.663 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.357 -10.765 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.150 -9.508 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.999 -11.022 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.547 -11.860 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.244 -12.301 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.408 -8.574 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.532 -7.962 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.757 -9.239 -1.243 1.00 0.00 H new ATOM 387 N ASN A 24 2.518 -11.806 -3.076 1.00 0.00 N ATOM 388 CA ASN A 24 3.356 -12.739 -3.779 1.00 0.00 C ATOM 389 C ASN A 24 4.411 -13.322 -2.850 1.00 0.00 C ATOM 390 O ASN A 24 4.710 -14.511 -2.903 1.00 0.00 O ATOM 391 CB ASN A 24 4.083 -11.865 -4.780 1.00 0.00 C ATOM 392 CG ASN A 24 3.402 -11.715 -6.096 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.387 -12.577 -6.964 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.886 -10.529 -6.244 1.00 0.00 N ATOM 0 H ASN A 24 2.551 -10.869 -3.478 1.00 0.00 H new ATOM 0 HA ASN A 24 2.781 -13.560 -4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.220 -10.876 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.077 -12.280 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.436 -10.275 -7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.931 -9.854 -5.480 1.00 0.00 H new ATOM 401 N CYS A 25 4.995 -12.412 -2.072 1.00 0.00 N ATOM 402 CA CYS A 25 6.235 -12.552 -1.306 1.00 0.00 C ATOM 403 C CYS A 25 7.410 -12.727 -2.269 1.00 0.00 C ATOM 404 O CYS A 25 7.984 -13.808 -2.406 1.00 0.00 O ATOM 405 CB CYS A 25 6.177 -13.672 -0.249 1.00 0.00 C ATOM 406 SG CYS A 25 5.104 -13.238 1.150 1.00 0.00 S ATOM 0 H CYS A 25 4.583 -11.487 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 25 6.378 -11.636 -0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.814 -14.589 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.183 -13.877 0.117 1.00 0.00 H new ATOM 0 HG CYS A 25 4.327 -12.252 0.811 1.00 0.00 H new ATOM 411 N GLU A 26 7.795 -11.649 -2.955 1.00 0.00 N ATOM 412 CA GLU A 26 8.915 -11.568 -3.855 1.00 0.00 C ATOM 413 C GLU A 26 10.250 -11.465 -3.088 1.00 0.00 C ATOM 414 O GLU A 26 11.085 -10.587 -3.332 1.00 0.00 O ATOM 415 CB GLU A 26 8.645 -10.409 -4.823 1.00 0.00 C ATOM 416 CG GLU A 26 9.371 -10.576 -6.150 1.00 0.00 C ATOM 417 CD GLU A 26 9.064 -9.391 -7.077 1.00 0.00 C ATOM 418 OE1 GLU A 26 7.901 -9.257 -7.522 1.00 0.00 O ATOM 419 OE2 GLU A 26 9.935 -8.514 -7.292 1.00 0.00 O ATOM 0 H GLU A 26 7.294 -10.764 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 26 9.021 -12.481 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.573 -10.335 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.954 -9.473 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.445 -10.644 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.064 -11.508 -6.626 1.00 0.00 H new ATOM 426 N GLY A 27 10.427 -12.327 -2.096 1.00 0.00 N ATOM 427 CA GLY A 27 11.458 -12.265 -1.070 1.00 0.00 C ATOM 428 C GLY A 27 10.876 -12.628 0.295 1.00 0.00 C ATOM 429 O GLY A 27 9.721 -13.044 0.392 1.00 0.00 O ATOM 0 H GLY A 27 9.818 -13.137 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.269 -12.949 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.885 -11.263 -1.035 1.00 0.00 H new ATOM 433 N ASP A 28 11.696 -12.513 1.338 1.00 0.00 N ATOM 434 CA ASP A 28 11.535 -13.165 2.603 1.00 0.00 C ATOM 435 C ASP A 28 10.778 -12.239 3.555 1.00 0.00 C ATOM 436 O ASP A 28 10.061 -11.307 3.181 1.00 0.00 O ATOM 437 CB ASP A 28 12.948 -13.529 3.130 1.00 0.00 C ATOM 438 CG ASP A 28 13.840 -14.248 2.112 1.00 0.00 C ATOM 439 OD1 ASP A 28 14.371 -13.528 1.231 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.979 -15.486 2.213 1.00 0.00 O ATOM 0 H ASP A 28 12.530 -11.927 1.305 1.00 0.00 H new ATOM 0 HA ASP A 28 10.950 -14.081 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.448 -12.616 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.842 -14.161 4.011 1.00 0.00 H new ATOM 445 N GLU A 29 10.967 -12.519 4.830 1.00 0.00 N ATOM 446 CA GLU A 29 10.296 -11.875 5.951 1.00 0.00 C ATOM 447 C GLU A 29 10.643 -10.391 5.994 1.00 0.00 C ATOM 448 O GLU A 29 9.748 -9.546 5.945 1.00 0.00 O ATOM 449 CB GLU A 29 10.529 -12.621 7.288 1.00 0.00 C ATOM 450 CG GLU A 29 11.857 -13.377 7.505 1.00 0.00 C ATOM 451 CD GLU A 29 13.085 -12.468 7.570 1.00 0.00 C ATOM 452 OE1 GLU A 29 13.625 -12.158 6.484 1.00 0.00 O ATOM 453 OE2 GLU A 29 13.454 -12.044 8.686 1.00 0.00 O ATOM 0 H GLU A 29 11.625 -13.238 5.131 1.00 0.00 H new ATOM 0 HA GLU A 29 9.219 -11.939 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.431 -11.892 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.718 -13.340 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.791 -13.949 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.991 -14.095 6.696 1.00 0.00 H new ATOM 460 N LYS A 30 11.927 -10.034 6.023 1.00 0.00 N ATOM 461 CA LYS A 30 12.332 -8.651 6.087 1.00 0.00 C ATOM 462 C LYS A 30 11.940 -7.828 4.885 1.00 0.00 C ATOM 463 O LYS A 30 11.807 -6.615 4.992 1.00 0.00 O ATOM 464 CB LYS A 30 13.835 -8.624 6.305 1.00 0.00 C ATOM 465 CG LYS A 30 14.114 -8.832 7.800 1.00 0.00 C ATOM 466 CD LYS A 30 14.325 -7.522 8.588 1.00 0.00 C ATOM 467 CE LYS A 30 13.100 -6.606 8.423 1.00 0.00 C ATOM 468 NZ LYS A 30 13.026 -5.461 9.354 1.00 0.00 N ATOM 0 H LYS A 30 12.701 -10.698 6.003 1.00 0.00 H new ATOM 0 HA LYS A 30 11.800 -8.182 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.317 -9.405 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.249 -7.673 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.281 -9.379 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.000 -9.457 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.484 -7.744 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.221 -7.013 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.091 -6.222 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.200 -7.208 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.361 -4.753 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.696 -5.790 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.968 -5.032 9.453 1.00 0.00 H new ATOM 482 N LYS A 31 11.775 -8.465 3.743 1.00 0.00 N ATOM 483 CA LYS A 31 11.274 -7.859 2.556 1.00 0.00 C ATOM 484 C LYS A 31 9.832 -7.402 2.755 1.00 0.00 C ATOM 485 O LYS A 31 9.552 -6.238 2.470 1.00 0.00 O ATOM 486 CB LYS A 31 11.460 -8.900 1.450 1.00 0.00 C ATOM 487 CG LYS A 31 11.809 -8.278 0.110 1.00 0.00 C ATOM 488 CD LYS A 31 10.757 -7.295 -0.423 1.00 0.00 C ATOM 489 CE LYS A 31 11.014 -6.909 -1.882 1.00 0.00 C ATOM 490 NZ LYS A 31 10.580 -7.965 -2.812 1.00 0.00 N ATOM 0 H LYS A 31 11.998 -9.453 3.627 1.00 0.00 H new ATOM 0 HA LYS A 31 11.807 -6.948 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.249 -9.594 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.544 -9.482 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.762 -7.758 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.949 -9.074 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.767 -7.743 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.756 -6.397 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.486 -5.983 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.077 -6.714 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.449 -7.560 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.303 -8.711 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.681 -8.371 -2.481 1.00 0.00 H new ATOM 504 N GLN A 32 8.929 -8.268 3.235 1.00 0.00 N ATOM 505 CA GLN A 32 7.570 -7.807 3.489 1.00 0.00 C ATOM 506 C GLN A 32 7.549 -6.806 4.645 1.00 0.00 C ATOM 507 O GLN A 32 6.791 -5.851 4.556 1.00 0.00 O ATOM 508 CB GLN A 32 6.556 -8.947 3.671 1.00 0.00 C ATOM 509 CG GLN A 32 6.833 -9.966 4.779 1.00 0.00 C ATOM 510 CD GLN A 32 5.575 -10.789 5.061 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.833 -10.527 6.006 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.280 -11.777 4.231 1.00 0.00 N ATOM 0 H GLN A 32 9.109 -9.250 3.446 1.00 0.00 H new ATOM 0 HA GLN A 32 7.238 -7.288 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.579 -8.502 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.484 -9.487 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.649 -10.625 4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.152 -9.452 5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.900 -11.989 3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.433 -12.327 4.373 1.00 0.00 H new ATOM 521 N ASP A 33 8.380 -6.968 5.681 1.00 0.00 N ATOM 522 CA ASP A 33 8.528 -6.012 6.794 1.00 0.00 C ATOM 523 C ASP A 33 8.854 -4.614 6.297 1.00 0.00 C ATOM 524 O ASP A 33 8.237 -3.639 6.728 1.00 0.00 O ATOM 525 CB ASP A 33 9.644 -6.512 7.713 1.00 0.00 C ATOM 526 CG ASP A 33 10.089 -5.600 8.858 1.00 0.00 C ATOM 527 OD1 ASP A 33 10.635 -4.508 8.595 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.313 -6.150 9.960 1.00 0.00 O ATOM 0 H ASP A 33 8.984 -7.785 5.775 1.00 0.00 H new ATOM 0 HA ASP A 33 7.583 -5.951 7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.322 -7.459 8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.517 -6.724 7.095 1.00 0.00 H new ATOM 533 N ASP A 34 9.784 -4.533 5.349 1.00 0.00 N ATOM 534 CA ASP A 34 10.288 -3.246 4.890 1.00 0.00 C ATOM 535 C ASP A 34 9.177 -2.489 4.160 1.00 0.00 C ATOM 536 O ASP A 34 8.939 -1.305 4.409 1.00 0.00 O ATOM 537 CB ASP A 34 11.513 -3.427 3.985 1.00 0.00 C ATOM 538 CG ASP A 34 12.173 -2.088 3.649 1.00 0.00 C ATOM 539 OD1 ASP A 34 11.823 -1.439 2.635 1.00 0.00 O ATOM 540 OD2 ASP A 34 13.129 -1.693 4.358 1.00 0.00 O ATOM 0 H ASP A 34 10.201 -5.341 4.887 1.00 0.00 H new ATOM 0 HA ASP A 34 10.603 -2.663 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.237 -4.076 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.214 -3.926 3.063 1.00 0.00 H new ATOM 545 N ASN A 35 8.419 -3.208 3.320 1.00 0.00 N ATOM 546 CA ASN A 35 7.161 -2.714 2.770 1.00 0.00 C ATOM 547 C ASN A 35 6.203 -2.377 3.891 1.00 0.00 C ATOM 548 O ASN A 35 5.517 -1.378 3.777 1.00 0.00 O ATOM 549 CB ASN A 35 6.508 -3.750 1.839 1.00 0.00 C ATOM 550 CG ASN A 35 5.124 -3.395 1.256 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.878 -3.702 0.106 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.139 -2.854 1.970 1.00 0.00 N ATOM 0 H ASN A 35 8.666 -4.147 3.007 1.00 0.00 H new ATOM 0 HA ASN A 35 7.383 -1.819 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.188 -3.935 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.414 -4.687 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.221 -2.712 1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.302 -2.582 2.939 1.00 0.00 H new ATOM 559 N LEU A 36 6.022 -3.218 4.898 1.00 0.00 N ATOM 560 CA LEU A 36 4.954 -3.115 5.868 1.00 0.00 C ATOM 561 C LEU A 36 4.997 -1.764 6.575 1.00 0.00 C ATOM 562 O LEU A 36 4.033 -1.001 6.546 1.00 0.00 O ATOM 563 CB LEU A 36 5.035 -4.361 6.773 1.00 0.00 C ATOM 564 CG LEU A 36 4.113 -5.484 6.290 1.00 0.00 C ATOM 565 CD1 LEU A 36 4.537 -6.858 6.811 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.672 -5.259 6.716 1.00 0.00 C ATOM 0 H LEU A 36 6.637 -4.015 5.064 1.00 0.00 H new ATOM 0 HA LEU A 36 3.965 -3.123 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.063 -4.723 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.767 -4.086 7.793 1.00 0.00 H new ATOM 0 HG LEU A 36 4.193 -5.464 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.849 -7.617 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.546 -7.082 6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.518 -6.856 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.053 -6.079 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.616 -5.217 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.312 -4.319 6.298 1.00 0.00 H new ATOM 578 N GLU A 37 6.163 -1.428 7.098 1.00 0.00 N ATOM 579 CA GLU A 37 6.448 -0.104 7.665 1.00 0.00 C ATOM 580 C GLU A 37 6.268 0.972 6.595 1.00 0.00 C ATOM 581 O GLU A 37 5.627 1.992 6.845 1.00 0.00 O ATOM 582 CB GLU A 37 7.857 -0.039 8.294 1.00 0.00 C ATOM 583 CG GLU A 37 8.037 1.299 9.043 1.00 0.00 C ATOM 584 CD GLU A 37 9.404 1.466 9.720 1.00 0.00 C ATOM 585 OE1 GLU A 37 10.323 1.990 9.048 1.00 0.00 O ATOM 586 OE2 GLU A 37 9.497 1.156 10.930 1.00 0.00 O ATOM 0 H GLU A 37 6.955 -2.069 7.146 1.00 0.00 H new ATOM 0 HA GLU A 37 5.736 0.080 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.996 -0.873 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.616 -0.136 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.891 2.118 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.257 1.386 9.800 1.00 0.00 H new ATOM 593 N HIS A 38 6.773 0.756 5.381 1.00 0.00 N ATOM 594 CA HIS A 38 6.625 1.728 4.307 1.00 0.00 C ATOM 595 C HIS A 38 5.157 2.017 3.962 1.00 0.00 C ATOM 596 O HIS A 38 4.797 3.153 3.668 1.00 0.00 O ATOM 597 CB HIS A 38 7.376 1.240 3.076 1.00 0.00 C ATOM 598 CG HIS A 38 7.509 2.333 2.069 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.296 3.455 2.203 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.738 2.473 0.953 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.010 4.258 1.169 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.104 3.682 0.365 1.00 0.00 N ATOM 0 H HIS A 38 7.288 -0.085 5.120 1.00 0.00 H new ATOM 0 HA HIS A 38 7.050 2.669 4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.365 0.883 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.849 0.394 2.634 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.968 3.640 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.990 1.782 0.595 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.447 5.232 1.006 1.00 0.00 H new ATOM 610 N PHE A 39 4.313 0.994 4.000 1.00 0.00 N ATOM 611 CA PHE A 39 2.869 1.011 3.792 1.00 0.00 C ATOM 612 C PHE A 39 2.136 1.713 4.935 1.00 0.00 C ATOM 613 O PHE A 39 0.993 2.132 4.759 1.00 0.00 O ATOM 614 CB PHE A 39 2.402 -0.431 3.621 1.00 0.00 C ATOM 615 CG PHE A 39 0.917 -0.608 3.435 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.328 -0.320 2.192 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.136 -1.121 4.484 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.049 -0.518 1.999 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.227 -1.370 4.265 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.824 -1.035 3.048 1.00 0.00 C ATOM 0 H PHE A 39 4.649 0.051 4.194 1.00 0.00 H new ATOM 0 HA PHE A 39 2.634 1.584 2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.913 -0.862 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.713 -1.003 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.936 0.055 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.580 -1.321 5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.507 -0.275 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.820 -1.825 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.887 -1.174 2.914 1.00 0.00 H new ATOM 630 N ILE A 40 2.758 1.876 6.099 1.00 0.00 N ATOM 631 CA ILE A 40 2.303 2.921 7.018 1.00 0.00 C ATOM 632 C ILE A 40 2.779 4.245 6.423 1.00 0.00 C ATOM 633 O ILE A 40 1.984 5.159 6.220 1.00 0.00 O ATOM 634 CB ILE A 40 2.817 2.723 8.475 1.00 0.00 C ATOM 635 CG1 ILE A 40 2.006 1.654 9.225 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.713 4.010 9.321 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.322 0.268 8.691 1.00 0.00 C ATOM 0 H ILE A 40 3.550 1.322 6.423 1.00 0.00 H new ATOM 0 HA ILE A 40 1.217 2.892 7.111 1.00 0.00 H new ATOM 0 HB ILE A 40 3.859 2.424 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.233 1.699 10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.940 1.857 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.085 3.815 10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.309 4.798 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.672 4.327 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.738 -0.474 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.072 0.221 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.384 0.061 8.823 1.00 0.00 H new ATOM 649 N SER A 41 4.078 4.315 6.147 1.00 0.00 N ATOM 650 CA SER A 41 4.850 5.522 6.004 1.00 0.00 C ATOM 651 C SER A 41 4.298 6.517 4.968 1.00 0.00 C ATOM 652 O SER A 41 4.103 7.686 5.292 1.00 0.00 O ATOM 653 CB SER A 41 6.314 5.143 5.724 1.00 0.00 C ATOM 654 OG SER A 41 7.224 6.154 6.104 1.00 0.00 O ATOM 0 H SER A 41 4.642 3.476 6.011 1.00 0.00 H new ATOM 0 HA SER A 41 4.779 6.067 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.555 4.224 6.258 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.433 4.934 4.661 1.00 0.00 H new ATOM 0 HG SER A 41 8.138 5.862 5.907 1.00 0.00 H new ATOM 660 N VAL A 42 4.099 6.111 3.706 1.00 0.00 N ATOM 661 CA VAL A 42 3.664 6.955 2.635 1.00 0.00 C ATOM 662 C VAL A 42 2.183 7.343 2.747 1.00 0.00 C ATOM 663 O VAL A 42 1.754 8.368 2.200 1.00 0.00 O ATOM 664 CB VAL A 42 4.003 6.191 1.383 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.480 6.312 1.094 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.556 4.758 1.157 1.00 0.00 C ATOM 0 H VAL A 42 4.248 5.145 3.414 1.00 0.00 H new ATOM 0 HA VAL A 42 4.164 7.924 2.647 1.00 0.00 H new ATOM 0 HB VAL A 42 3.346 6.702 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.720 5.757 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.739 7.362 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.049 5.904 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.915 4.413 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.964 4.122 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.467 4.709 1.179 1.00 0.00 H new ATOM 676 N THR A 43 1.382 6.468 3.347 1.00 0.00 N ATOM 677 CA THR A 43 -0.055 6.543 3.491 1.00 0.00 C ATOM 678 C THR A 43 -0.417 7.545 4.603 1.00 0.00 C ATOM 679 O THR A 43 0.434 8.049 5.325 1.00 0.00 O ATOM 680 CB THR A 43 -0.603 5.095 3.618 1.00 0.00 C ATOM 681 OG1 THR A 43 0.402 4.146 3.316 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.605 4.768 2.525 1.00 0.00 C ATOM 0 H THR A 43 1.758 5.623 3.777 1.00 0.00 H new ATOM 0 HA THR A 43 -0.559 6.957 2.617 1.00 0.00 H new ATOM 0 HB THR A 43 -1.005 5.049 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.265 3.341 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.962 3.746 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.447 5.457 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.126 4.866 1.551 1.00 0.00 H new ATOM 690 N GLU A 44 -1.703 7.878 4.720 1.00 0.00 N ATOM 691 CA GLU A 44 -2.315 8.425 5.897 1.00 0.00 C ATOM 692 C GLU A 44 -3.309 7.392 6.449 1.00 0.00 C ATOM 693 O GLU A 44 -4.088 7.707 7.339 1.00 0.00 O ATOM 694 CB GLU A 44 -2.973 9.805 5.656 1.00 0.00 C ATOM 695 CG GLU A 44 -2.054 10.965 5.210 1.00 0.00 C ATOM 696 CD GLU A 44 -2.364 11.499 3.801 1.00 0.00 C ATOM 697 OE1 GLU A 44 -3.549 11.661 3.425 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.433 11.616 2.979 1.00 0.00 O ATOM 0 H GLU A 44 -2.364 7.762 3.952 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.539 8.620 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.749 9.681 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.471 10.106 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.144 11.782 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.018 10.627 5.240 1.00 0.00 H new ATOM 705 N HIS A 45 -3.323 6.178 5.875 1.00 0.00 N ATOM 706 CA HIS A 45 -4.283 5.129 6.160 1.00 0.00 C ATOM 707 C HIS A 45 -3.993 4.588 7.575 1.00 0.00 C ATOM 708 O HIS A 45 -2.976 3.915 7.754 1.00 0.00 O ATOM 709 CB HIS A 45 -4.204 4.035 5.077 1.00 0.00 C ATOM 710 CG HIS A 45 -5.358 3.062 5.258 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.412 2.172 6.313 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.591 3.029 4.623 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.660 1.690 6.386 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.394 2.184 5.387 1.00 0.00 N ATOM 0 H HIS A 45 -2.635 5.902 5.175 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.304 5.511 6.139 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.246 4.486 4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.253 3.506 5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.872 3.552 3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.018 1.005 7.140 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.377 1.978 5.212 1.00 0.00 H new ATOM 722 N PRO A 46 -4.835 4.867 8.583 1.00 0.00 N ATOM 723 CA PRO A 46 -4.485 4.758 9.995 1.00 0.00 C ATOM 724 C PRO A 46 -4.244 3.318 10.430 1.00 0.00 C ATOM 725 O PRO A 46 -3.387 3.072 11.274 1.00 0.00 O ATOM 726 CB PRO A 46 -5.656 5.388 10.762 1.00 0.00 C ATOM 727 CG PRO A 46 -6.832 5.311 9.787 1.00 0.00 C ATOM 728 CD PRO A 46 -6.150 5.441 8.436 1.00 0.00 C ATOM 0 HA PRO A 46 -3.545 5.270 10.198 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.867 4.844 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.439 6.419 11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.374 4.370 9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.552 6.111 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.716 4.920 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.085 6.486 8.133 1.00 0.00 H new ATOM 736 N SER A 47 -4.985 2.373 9.856 1.00 0.00 N ATOM 737 CA SER A 47 -4.864 0.958 10.160 1.00 0.00 C ATOM 738 C SER A 47 -3.534 0.368 9.662 1.00 0.00 C ATOM 739 O SER A 47 -3.146 -0.716 10.096 1.00 0.00 O ATOM 740 CB SER A 47 -6.053 0.239 9.511 1.00 0.00 C ATOM 741 OG SER A 47 -7.254 0.990 9.593 1.00 0.00 O ATOM 0 H SER A 47 -5.697 2.578 9.155 1.00 0.00 H new ATOM 0 HA SER A 47 -4.871 0.820 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.825 0.039 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.198 -0.726 9.996 1.00 0.00 H new ATOM 0 HG SER A 47 -7.981 0.492 9.165 1.00 0.00 H new ATOM 747 N GLY A 48 -2.825 1.061 8.756 1.00 0.00 N ATOM 748 CA GLY A 48 -1.665 0.521 8.065 1.00 0.00 C ATOM 749 C GLY A 48 -1.960 -0.879 7.532 1.00 0.00 C ATOM 750 O GLY A 48 -3.011 -1.117 6.934 1.00 0.00 O ATOM 0 H GLY A 48 -3.051 2.019 8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.387 1.178 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.814 0.485 8.745 1.00 0.00 H new ATOM 754 N SER A 49 -1.021 -1.785 7.794 1.00 0.00 N ATOM 755 CA SER A 49 -0.919 -3.200 7.438 1.00 0.00 C ATOM 756 C SER A 49 -2.157 -4.057 7.717 1.00 0.00 C ATOM 757 O SER A 49 -2.221 -5.189 7.250 1.00 0.00 O ATOM 758 CB SER A 49 0.215 -3.757 8.298 1.00 0.00 C ATOM 759 OG SER A 49 1.332 -2.879 8.272 1.00 0.00 O ATOM 0 H SER A 49 -0.203 -1.505 8.335 1.00 0.00 H new ATOM 0 HA SER A 49 -0.770 -3.247 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.129 -3.889 9.324 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.509 -4.741 7.932 1.00 0.00 H new ATOM 0 HG SER A 49 2.050 -3.247 8.828 1.00 0.00 H new ATOM 765 N ASP A 50 -3.130 -3.552 8.463 1.00 0.00 N ATOM 766 CA ASP A 50 -4.415 -4.187 8.742 1.00 0.00 C ATOM 767 C ASP A 50 -5.092 -4.683 7.463 1.00 0.00 C ATOM 768 O ASP A 50 -5.595 -5.800 7.425 1.00 0.00 O ATOM 769 CB ASP A 50 -5.241 -3.113 9.449 1.00 0.00 C ATOM 770 CG ASP A 50 -6.630 -3.528 9.917 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.686 -4.421 10.789 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.585 -2.822 9.521 1.00 0.00 O ATOM 0 H ASP A 50 -3.042 -2.641 8.914 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.302 -5.078 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.679 -2.764 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.347 -2.264 8.774 1.00 0.00 H new ATOM 777 N LEU A 51 -4.983 -3.943 6.355 1.00 0.00 N ATOM 778 CA LEU A 51 -5.614 -4.310 5.083 1.00 0.00 C ATOM 779 C LEU A 51 -4.876 -5.457 4.385 1.00 0.00 C ATOM 780 O LEU A 51 -5.393 -6.016 3.420 1.00 0.00 O ATOM 781 CB LEU A 51 -5.616 -3.059 4.201 1.00 0.00 C ATOM 782 CG LEU A 51 -6.759 -2.067 4.498 1.00 0.00 C ATOM 783 CD1 LEU A 51 -7.007 -1.728 5.974 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.400 -0.771 3.781 1.00 0.00 C ATOM 0 H LEU A 51 -4.454 -3.072 6.315 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.628 -4.665 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.664 -2.543 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.681 -3.366 3.157 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.677 -2.549 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.834 -1.022 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.255 -2.638 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.109 -1.282 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.179 -0.029 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.449 -0.396 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.314 -0.959 2.711 1.00 0.00 H new ATOM 796 N ILE A 52 -3.675 -5.791 4.851 1.00 0.00 N ATOM 797 CA ILE A 52 -2.840 -6.875 4.357 1.00 0.00 C ATOM 798 C ILE A 52 -3.069 -8.100 5.256 1.00 0.00 C ATOM 799 O ILE A 52 -3.125 -9.224 4.764 1.00 0.00 O ATOM 800 CB ILE A 52 -1.364 -6.453 4.354 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.127 -5.073 3.698 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.413 -7.506 3.754 1.00 0.00 C ATOM 803 CD1 ILE A 52 0.302 -4.577 3.908 1.00 0.00 C ATOM 0 H ILE A 52 -3.239 -5.285 5.622 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.106 -7.123 3.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.115 -6.367 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.334 -5.139 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.827 -4.349 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.611 -7.133 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.482 -8.429 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.693 -7.702 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.423 -3.605 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.502 -4.485 4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.002 -5.287 3.468 1.00 0.00 H new ATOM 815 N TYR A 53 -3.139 -7.892 6.578 1.00 0.00 N ATOM 816 CA TYR A 53 -3.007 -8.948 7.573 1.00 0.00 C ATOM 817 C TYR A 53 -4.351 -9.367 8.170 1.00 0.00 C ATOM 818 O TYR A 53 -4.511 -10.541 8.511 1.00 0.00 O ATOM 819 CB TYR A 53 -2.051 -8.460 8.678 1.00 0.00 C ATOM 820 CG TYR A 53 -0.547 -8.624 8.460 1.00 0.00 C ATOM 821 CD1 TYR A 53 0.009 -9.091 7.248 1.00 0.00 C ATOM 822 CD2 TYR A 53 0.308 -8.370 9.551 1.00 0.00 C ATOM 823 CE1 TYR A 53 1.386 -9.382 7.156 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.681 -8.661 9.467 1.00 0.00 C ATOM 825 CZ TYR A 53 2.224 -9.201 8.280 1.00 0.00 C ATOM 826 OH TYR A 53 3.540 -9.554 8.254 1.00 0.00 O ATOM 0 H TYR A 53 -3.291 -6.969 6.985 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.604 -9.834 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.249 -7.401 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.312 -8.982 9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.626 -9.226 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.095 -7.948 10.460 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.800 -9.743 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.324 -8.471 10.314 1.00 0.00 H new ATOM 0 HH TYR A 53 3.780 -9.855 7.353 1.00 0.00 H new ATOM 836 N TYR A 54 -5.313 -8.450 8.296 1.00 0.00 N ATOM 837 CA TYR A 54 -6.618 -8.686 8.907 1.00 0.00 C ATOM 838 C TYR A 54 -7.717 -8.144 7.970 1.00 0.00 C ATOM 839 O TYR A 54 -8.524 -7.312 8.382 1.00 0.00 O ATOM 840 CB TYR A 54 -6.640 -8.047 10.315 1.00 0.00 C ATOM 841 CG TYR A 54 -5.391 -8.275 11.159 1.00 0.00 C ATOM 842 CD1 TYR A 54 -4.917 -9.579 11.403 1.00 0.00 C ATOM 843 CD2 TYR A 54 -4.660 -7.171 11.641 1.00 0.00 C ATOM 844 CE1 TYR A 54 -3.697 -9.781 12.071 1.00 0.00 C ATOM 845 CE2 TYR A 54 -3.445 -7.362 12.323 1.00 0.00 C ATOM 846 CZ TYR A 54 -2.950 -8.669 12.522 1.00 0.00 C ATOM 847 OH TYR A 54 -1.743 -8.853 13.127 1.00 0.00 O ATOM 0 H TYR A 54 -5.199 -7.492 7.964 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.810 -9.751 9.040 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.792 -6.973 10.205 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.501 -8.437 10.858 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.495 -10.430 11.074 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.036 -6.170 11.485 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.331 -10.783 12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.892 -6.511 12.693 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.365 -7.983 13.373 1.00 0.00 H new ATOM 857 N PRO A 55 -7.749 -8.574 6.694 1.00 0.00 N ATOM 858 CA PRO A 55 -8.528 -7.905 5.662 1.00 0.00 C ATOM 859 C PRO A 55 -10.039 -8.032 5.897 1.00 0.00 C ATOM 860 O PRO A 55 -10.519 -8.997 6.499 1.00 0.00 O ATOM 861 CB PRO A 55 -8.101 -8.586 4.362 1.00 0.00 C ATOM 862 CG PRO A 55 -7.725 -9.989 4.784 1.00 0.00 C ATOM 863 CD PRO A 55 -7.063 -9.734 6.135 1.00 0.00 C ATOM 0 HA PRO A 55 -8.343 -6.831 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.910 -8.593 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.259 -8.070 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.596 -10.639 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.044 -10.461 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.161 -10.600 6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.997 -9.541 6.019 1.00 0.00 H new ATOM 871 N GLU A 56 -10.795 -7.077 5.346 1.00 0.00 N ATOM 872 CA GLU A 56 -12.228 -7.217 5.128 1.00 0.00 C ATOM 873 C GLU A 56 -12.514 -8.158 3.958 1.00 0.00 C ATOM 874 O GLU A 56 -11.664 -8.939 3.537 1.00 0.00 O ATOM 875 CB GLU A 56 -12.913 -5.845 5.010 1.00 0.00 C ATOM 876 CG GLU A 56 -12.490 -4.929 3.841 1.00 0.00 C ATOM 877 CD GLU A 56 -13.356 -5.088 2.585 1.00 0.00 C ATOM 878 OE1 GLU A 56 -14.539 -5.464 2.728 1.00 0.00 O ATOM 879 OE2 GLU A 56 -12.838 -4.865 1.470 1.00 0.00 O ATOM 0 H GLU A 56 -10.421 -6.179 5.038 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.673 -7.688 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.987 -6.012 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.741 -5.303 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.533 -3.891 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.452 -5.139 3.584 1.00 0.00 H new ATOM 886 N GLY A 57 -13.752 -8.115 3.486 1.00 0.00 N ATOM 887 CA GLY A 57 -14.324 -9.088 2.565 1.00 0.00 C ATOM 888 C GLY A 57 -15.030 -8.434 1.398 1.00 0.00 C ATOM 889 O GLY A 57 -16.192 -8.035 1.467 1.00 0.00 O ATOM 0 H GLY A 57 -14.408 -7.377 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.533 -9.737 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.029 -9.722 3.103 1.00 0.00 H new ATOM 893 N ASN A 58 -14.297 -8.469 0.301 1.00 0.00 N ATOM 894 CA ASN A 58 -14.312 -7.661 -0.915 1.00 0.00 C ATOM 895 C ASN A 58 -12.813 -7.468 -1.151 1.00 0.00 C ATOM 896 O ASN A 58 -12.336 -7.558 -2.284 1.00 0.00 O ATOM 897 CB ASN A 58 -15.005 -6.301 -0.732 1.00 0.00 C ATOM 898 CG ASN A 58 -14.492 -5.240 -1.662 1.00 0.00 C ATOM 899 OD1 ASN A 58 -14.869 -5.159 -2.830 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.716 -4.337 -1.123 1.00 0.00 N ATOM 0 H ASN A 58 -13.563 -9.174 0.229 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.864 -8.129 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.077 -6.424 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.869 -5.968 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.406 -3.537 -1.674 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.421 -4.433 -0.151 1.00 0.00 H new ATOM 907 N ASN A 59 -12.068 -7.302 -0.047 1.00 0.00 N ATOM 908 CA ASN A 59 -10.653 -7.560 -0.027 1.00 0.00 C ATOM 909 C ASN A 59 -10.535 -9.081 0.054 1.00 0.00 C ATOM 910 O ASN A 59 -11.450 -9.718 0.583 1.00 0.00 O ATOM 911 CB ASN A 59 -10.060 -6.818 1.171 1.00 0.00 C ATOM 912 CG ASN A 59 -8.547 -6.829 1.224 1.00 0.00 C ATOM 913 OD1 ASN A 59 -7.861 -7.217 0.283 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.028 -6.358 2.343 1.00 0.00 N ATOM 0 H ASN A 59 -12.446 -6.985 0.846 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.103 -7.209 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.404 -5.784 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.447 -7.263 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.015 -6.305 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.640 -6.047 3.098 1.00 0.00 H new ATOM 921 N ASP A 60 -9.483 -9.632 -0.556 1.00 0.00 N ATOM 922 CA ASP A 60 -9.229 -11.048 -0.914 1.00 0.00 C ATOM 923 C ASP A 60 -8.827 -11.108 -2.381 1.00 0.00 C ATOM 924 O ASP A 60 -7.734 -11.557 -2.717 1.00 0.00 O ATOM 925 CB ASP A 60 -10.428 -12.008 -0.707 1.00 0.00 C ATOM 926 CG ASP A 60 -10.273 -13.354 -1.434 1.00 0.00 C ATOM 927 OD1 ASP A 60 -9.657 -14.272 -0.850 1.00 0.00 O ATOM 928 OD2 ASP A 60 -10.830 -13.467 -2.553 1.00 0.00 O ATOM 0 H ASP A 60 -8.701 -9.044 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.446 -11.389 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.554 -12.193 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.338 -11.519 -1.055 1.00 0.00 H new ATOM 933 N GLY A 61 -9.698 -10.577 -3.246 1.00 0.00 N ATOM 934 CA GLY A 61 -9.717 -10.932 -4.661 1.00 0.00 C ATOM 935 C GLY A 61 -8.410 -10.617 -5.374 1.00 0.00 C ATOM 936 O GLY A 61 -8.031 -11.293 -6.335 1.00 0.00 O ATOM 0 H GLY A 61 -10.406 -9.892 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.930 -11.996 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.530 -10.397 -5.153 1.00 0.00 H new ATOM 940 N SER A 62 -7.722 -9.556 -4.958 1.00 0.00 N ATOM 941 CA SER A 62 -6.390 -9.222 -5.322 1.00 0.00 C ATOM 942 C SER A 62 -5.910 -8.119 -4.360 1.00 0.00 C ATOM 943 O SER A 62 -6.754 -7.377 -3.847 1.00 0.00 O ATOM 944 CB SER A 62 -6.537 -8.657 -6.717 1.00 0.00 C ATOM 945 OG SER A 62 -6.212 -9.625 -7.686 1.00 0.00 O ATOM 0 H SER A 62 -8.128 -8.876 -4.315 1.00 0.00 H new ATOM 0 HA SER A 62 -5.686 -10.054 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.560 -8.313 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.889 -7.788 -6.833 1.00 0.00 H new ATOM 0 HG SER A 62 -6.719 -10.446 -7.511 1.00 0.00 H new ATOM 951 N PRO A 63 -4.591 -7.856 -4.259 1.00 0.00 N ATOM 952 CA PRO A 63 -4.008 -6.673 -3.589 1.00 0.00 C ATOM 953 C PRO A 63 -4.505 -5.319 -4.145 1.00 0.00 C ATOM 954 O PRO A 63 -4.278 -4.250 -3.579 1.00 0.00 O ATOM 955 CB PRO A 63 -2.492 -6.802 -3.792 1.00 0.00 C ATOM 956 CG PRO A 63 -2.271 -8.273 -4.144 1.00 0.00 C ATOM 957 CD PRO A 63 -3.547 -8.666 -4.864 1.00 0.00 C ATOM 0 HA PRO A 63 -4.310 -6.664 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.142 -6.147 -4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.947 -6.524 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.395 -8.405 -4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.112 -8.879 -3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.470 -8.474 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.755 -9.729 -4.745 1.00 0.00 H new ATOM 965 N GLU A 64 -5.238 -5.382 -5.254 1.00 0.00 N ATOM 966 CA GLU A 64 -6.070 -4.365 -5.857 1.00 0.00 C ATOM 967 C GLU A 64 -6.914 -3.728 -4.775 1.00 0.00 C ATOM 968 O GLU A 64 -6.946 -2.509 -4.675 1.00 0.00 O ATOM 969 CB GLU A 64 -7.019 -5.046 -6.858 1.00 0.00 C ATOM 970 CG GLU A 64 -6.399 -5.370 -8.219 1.00 0.00 C ATOM 971 CD GLU A 64 -6.547 -4.193 -9.183 1.00 0.00 C ATOM 972 OE1 GLU A 64 -7.711 -3.834 -9.489 1.00 0.00 O ATOM 973 OE2 GLU A 64 -5.500 -3.634 -9.572 1.00 0.00 O ATOM 0 H GLU A 64 -5.260 -6.241 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.452 -3.617 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.388 -5.971 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.883 -4.400 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.343 -5.611 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.880 -6.253 -8.641 1.00 0.00 H new ATOM 980 N ALA A 65 -7.598 -4.559 -3.989 1.00 0.00 N ATOM 981 CA ALA A 65 -8.514 -4.126 -2.958 1.00 0.00 C ATOM 982 C ALA A 65 -7.819 -3.225 -1.946 1.00 0.00 C ATOM 983 O ALA A 65 -8.450 -2.289 -1.469 1.00 0.00 O ATOM 984 CB ALA A 65 -9.114 -5.359 -2.281 1.00 0.00 C ATOM 0 H ALA A 65 -7.522 -5.574 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.313 -3.537 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.807 -5.045 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.647 -5.957 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.316 -5.956 -1.839 1.00 0.00 H new ATOM 990 N VAL A 66 -6.525 -3.426 -1.684 1.00 0.00 N ATOM 991 CA VAL A 66 -5.830 -2.505 -0.785 1.00 0.00 C ATOM 992 C VAL A 66 -5.606 -1.170 -1.498 1.00 0.00 C ATOM 993 O VAL A 66 -5.786 -0.124 -0.891 1.00 0.00 O ATOM 994 CB VAL A 66 -4.495 -3.091 -0.299 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.831 -2.147 0.694 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.603 -4.499 0.321 1.00 0.00 C ATOM 0 H VAL A 66 -5.958 -4.184 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.452 -2.346 0.096 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.884 -3.198 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.887 -2.576 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.643 -1.187 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.487 -2.001 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.615 -4.835 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.268 -4.466 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.003 -5.193 -0.419 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.203 -1.155 -2.772 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.912 0.115 -3.462 1.00 0.00 C ATOM 1008 C ILE A 67 -6.152 0.959 -3.526 1.00 0.00 C ATOM 1009 O ILE A 67 -6.092 2.161 -3.287 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.302 -0.134 -4.866 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.776 -0.083 -4.729 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.686 0.857 -5.980 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.351 -1.041 -3.628 1.00 0.00 C ATOM 0 H ILE A 67 -5.071 -1.990 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.162 0.662 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.707 -1.097 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.303 -0.358 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.452 0.931 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.193 0.570 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.766 0.842 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.371 1.862 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.267 -1.014 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.816 -0.744 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.665 -2.053 -3.885 1.00 0.00 H new ATOM 1025 N LYS A 68 -7.241 0.278 -3.837 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.600 0.756 -3.729 1.00 0.00 C ATOM 1027 C LYS A 68 -8.753 1.348 -2.368 1.00 0.00 C ATOM 1028 O LYS A 68 -8.794 2.559 -2.325 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.582 -0.348 -4.122 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.306 -0.629 -5.606 1.00 0.00 C ATOM 1031 CD LYS A 68 -10.177 -1.703 -6.257 1.00 0.00 C ATOM 1032 CE LYS A 68 -9.516 -2.008 -7.609 1.00 0.00 C ATOM 1033 NZ LYS A 68 -10.009 -3.243 -8.249 1.00 0.00 N ATOM 0 H LYS A 68 -7.193 -0.677 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.838 1.553 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.430 -1.242 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.613 -0.030 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.434 0.300 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.262 -0.923 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.228 -2.597 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.199 -1.350 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.685 -1.168 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.439 -2.090 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.204 -3.784 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.516 -3.819 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.655 -2.997 -9.026 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.695 0.604 -1.281 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.993 1.171 0.013 1.00 0.00 C ATOM 1049 C GLU A 69 -8.054 2.301 0.398 1.00 0.00 C ATOM 1050 O GLU A 69 -8.414 3.156 1.180 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.854 0.078 1.054 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.103 -0.135 1.940 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.768 1.147 2.498 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.470 1.832 1.715 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.627 1.420 3.710 1.00 0.00 O ATOM 0 H GLU A 69 -8.446 -0.385 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.003 1.578 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.621 -0.859 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.006 0.313 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.846 -0.682 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.823 -0.770 2.780 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.842 2.369 -0.135 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.954 3.435 0.160 1.00 0.00 C ATOM 1064 C ILE A 70 -6.562 4.648 -0.525 1.00 0.00 C ATOM 1065 O ILE A 70 -6.805 5.653 0.131 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.543 3.146 -0.280 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.867 2.081 0.596 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.783 4.457 -0.155 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.560 1.343 1.747 1.00 0.00 C ATOM 0 H ILE A 70 -6.466 1.676 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.853 3.599 1.233 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.546 2.757 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.509 1.310 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.987 2.558 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.748 4.308 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.247 5.209 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.809 4.795 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.861 0.643 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.891 2.064 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.421 0.797 1.363 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.758 4.577 -1.849 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.437 5.661 -2.562 1.00 0.00 C ATOM 1083 C LYS A 71 -8.720 6.018 -1.846 1.00 0.00 C ATOM 1084 O LYS A 71 -8.949 7.202 -1.608 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.858 5.284 -3.990 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.740 4.858 -4.934 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.237 3.767 -5.895 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.431 4.213 -6.746 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.977 4.975 -7.924 1.00 0.00 N ATOM 0 H LYS A 71 -6.462 3.797 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.718 6.479 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.583 4.472 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.372 6.138 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.387 5.719 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.892 4.486 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.420 3.471 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.518 2.885 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.000 3.341 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.102 4.828 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.744 5.596 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.150 5.551 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.716 4.315 -8.685 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.539 5.029 -1.504 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.913 5.277 -1.255 1.00 0.00 C ATOM 1105 C GLU A 72 -11.135 5.663 0.217 1.00 0.00 C ATOM 1106 O GLU A 72 -11.913 6.584 0.480 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.611 4.030 -1.783 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.393 4.261 -3.089 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.462 4.592 -4.282 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.166 5.793 -4.486 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.052 3.665 -5.024 1.00 0.00 O ATOM 0 H GLU A 72 -9.254 4.055 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.340 6.142 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.867 3.251 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.296 3.659 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.976 3.370 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.101 5.077 -2.946 1.00 0.00 H new ATOM 1118 N TRP A 73 -10.344 5.121 1.154 1.00 0.00 N ATOM 1119 CA TRP A 73 -10.160 5.662 2.494 1.00 0.00 C ATOM 1120 C TRP A 73 -9.724 7.102 2.401 1.00 0.00 C ATOM 1121 O TRP A 73 -10.383 7.957 2.996 1.00 0.00 O ATOM 1122 CB TRP A 73 -9.175 4.851 3.314 1.00 0.00 C ATOM 1123 CG TRP A 73 -9.101 5.301 4.728 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.870 4.844 5.732 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -8.283 6.353 5.286 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.579 5.550 6.887 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.661 6.557 6.640 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -7.278 7.171 4.749 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -8.095 7.588 7.408 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -6.705 8.200 5.502 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -7.116 8.415 6.817 1.00 0.00 C ATOM 0 H TRP A 73 -9.803 4.272 0.989 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.117 5.604 3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.463 3.800 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.186 4.923 2.862 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.599 4.052 5.650 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.988 5.354 7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.941 7.003 3.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.403 7.745 8.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.943 8.829 5.065 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.681 9.222 7.388 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.628 7.404 1.688 1.00 0.00 N ATOM 1143 CA ARG A 74 -8.105 8.759 1.679 1.00 0.00 C ATOM 1144 C ARG A 74 -9.178 9.666 1.105 1.00 0.00 C ATOM 1145 O ARG A 74 -9.429 10.714 1.686 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.799 8.830 0.881 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.677 7.936 1.427 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.829 8.495 2.568 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.603 9.188 2.138 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.503 8.639 1.613 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.571 7.427 1.068 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.341 9.281 1.653 1.00 0.00 N ATOM 0 H ARG A 74 -8.103 6.736 1.124 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.862 9.086 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.002 8.548 -0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.451 9.863 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.125 7.002 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.010 7.689 0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.437 9.188 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.554 7.677 3.233 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.592 10.201 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.458 6.924 1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.736 7.001 0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.282 10.202 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.508 8.853 1.249 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.829 9.272 0.008 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.915 9.987 -0.625 1.00 0.00 C ATOM 1168 C ALA A 75 -11.996 10.338 0.376 1.00 0.00 C ATOM 1169 O ALA A 75 -12.243 11.533 0.569 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.462 9.228 -1.841 1.00 0.00 C ATOM 0 H ALA A 75 -9.595 8.406 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.518 10.928 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.276 9.797 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.667 9.094 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.832 8.253 -1.525 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.602 9.330 1.003 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.703 9.520 1.925 1.00 0.00 C ATOM 1178 C ALA A 76 -13.274 10.392 3.097 1.00 0.00 C ATOM 1179 O ALA A 76 -14.027 11.278 3.501 1.00 0.00 O ATOM 1180 CB ALA A 76 -14.217 8.158 2.406 1.00 0.00 C ATOM 0 H ALA A 76 -12.335 8.354 0.879 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.515 10.034 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.045 8.306 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.559 7.576 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.412 7.623 2.911 1.00 0.00 H new ATOM 1186 N ASN A 77 -12.073 10.163 3.632 1.00 0.00 N ATOM 1187 CA ASN A 77 -11.614 10.863 4.805 1.00 0.00 C ATOM 1188 C ASN A 77 -11.177 12.299 4.514 1.00 0.00 C ATOM 1189 O ASN A 77 -11.122 13.096 5.450 1.00 0.00 O ATOM 1190 CB ASN A 77 -10.484 10.044 5.422 1.00 0.00 C ATOM 1191 CG ASN A 77 -11.043 8.917 6.278 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -11.220 9.059 7.482 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -11.387 7.801 5.661 1.00 0.00 N ATOM 0 H ASN A 77 -11.405 9.489 3.258 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.442 10.960 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.855 9.631 4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.850 10.689 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.809 7.036 6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.231 7.704 4.658 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.882 12.674 3.260 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.397 14.029 2.991 1.00 0.00 C ATOM 1202 C GLY A 78 -9.517 14.164 1.754 1.00 0.00 C ATOM 1203 O GLY A 78 -8.741 15.112 1.662 1.00 0.00 O ATOM 0 H GLY A 78 -10.968 12.075 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.256 14.691 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.835 14.376 3.858 1.00 0.00 H new ATOM 1207 N LYS A 79 -9.675 13.290 0.763 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.923 13.039 -0.430 1.00 0.00 C ATOM 1209 C LYS A 79 -7.452 13.449 -0.486 1.00 0.00 C ATOM 1210 O LYS A 79 -7.125 14.609 -0.738 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.746 13.431 -1.646 1.00 0.00 C ATOM 1212 CG LYS A 79 -11.127 14.109 -1.479 1.00 0.00 C ATOM 1213 CD LYS A 79 -11.134 15.609 -1.825 1.00 0.00 C ATOM 1214 CE LYS A 79 -10.536 16.524 -0.738 1.00 0.00 C ATOM 1215 NZ LYS A 79 -9.056 16.504 -0.664 1.00 0.00 N ATOM 0 H LYS A 79 -10.466 12.648 0.804 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.763 11.961 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.131 14.100 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.902 12.526 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.851 13.597 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.460 13.983 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.578 15.757 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.161 15.919 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.864 17.547 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.940 16.228 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.711 17.438 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.752 15.784 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.665 16.276 -1.600 1.00 0.00 H new ATOM 1229 N SER A 80 -6.634 12.416 -0.428 1.00 0.00 N ATOM 1230 CA SER A 80 -5.248 12.302 -0.847 1.00 0.00 C ATOM 1231 C SER A 80 -5.227 11.085 -1.780 1.00 0.00 C ATOM 1232 O SER A 80 -6.215 10.351 -1.860 1.00 0.00 O ATOM 1233 CB SER A 80 -4.351 12.085 0.380 1.00 0.00 C ATOM 1234 OG SER A 80 -4.589 13.031 1.399 1.00 0.00 O ATOM 0 H SER A 80 -6.963 11.532 -0.040 1.00 0.00 H new ATOM 0 HA SER A 80 -4.876 13.196 -1.347 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.517 11.082 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.306 12.139 0.076 1.00 0.00 H new ATOM 0 HG SER A 80 -4.454 12.610 2.274 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.127 10.839 -2.478 1.00 0.00 N ATOM 1241 CA GLY A 81 -3.976 9.690 -3.350 1.00 0.00 C ATOM 1242 C GLY A 81 -2.608 9.749 -4.008 1.00 0.00 C ATOM 1243 O GLY A 81 -1.867 10.719 -3.817 1.00 0.00 O ATOM 0 H GLY A 81 -3.305 11.442 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.080 8.767 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.759 9.686 -4.108 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.262 8.698 -4.748 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.097 8.670 -5.600 1.00 0.00 C ATOM 1249 C PHE A 82 -1.302 9.629 -6.774 1.00 0.00 C ATOM 1250 O PHE A 82 -2.288 10.360 -6.867 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.783 7.226 -6.057 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.511 6.111 -5.341 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.949 5.536 -4.193 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.743 5.642 -5.824 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.636 4.521 -3.505 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.384 4.578 -5.173 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.855 4.031 -3.992 1.00 0.00 C ATOM 0 H PHE A 82 -2.799 7.831 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.225 9.009 -5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.007 7.150 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.288 7.059 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.013 5.873 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.195 6.098 -6.692 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.221 4.116 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.297 4.174 -5.585 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.379 3.246 -3.468 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.337 9.603 -7.685 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.295 10.321 -8.928 1.00 0.00 C ATOM 1269 C LYS A 83 -1.640 10.346 -9.646 1.00 0.00 C ATOM 1270 O LYS A 83 -2.286 9.315 -9.827 1.00 0.00 O ATOM 1271 CB LYS A 83 0.718 9.577 -9.780 1.00 0.00 C ATOM 1272 CG LYS A 83 1.470 10.488 -10.771 1.00 0.00 C ATOM 1273 CD LYS A 83 2.538 11.365 -10.081 1.00 0.00 C ATOM 1274 CE LYS A 83 3.681 10.550 -9.441 1.00 0.00 C ATOM 1275 NZ LYS A 83 4.635 11.401 -8.694 1.00 0.00 N ATOM 0 H LYS A 83 0.497 9.031 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.033 11.364 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.441 9.087 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.207 8.791 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.948 9.873 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.754 11.130 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.959 12.055 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.059 11.970 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.258 9.805 -8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.216 10.007 -10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.344 10.800 -8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.110 12.050 -9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.121 11.951 -7.976 1.00 0.00 H new