USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 777 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 106 GLN :FLIP amide:sc= -0.731 F(o=-2!,f=-0.75) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 155:sc= -0.0179 (180deg=-0.0479) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0122 F(o=-1.1,f=-0.012) USER MOD Single : A 25 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 36 HIS : no HE2:sc= 0.858 K(o=0.86,f=-5.1!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.015 (180deg=-0.172) USER MOD Single : A 44 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 46 ASN : amide:sc= -0.087 K(o=-0.087,f=-0.61) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc=-0.00462 (180deg=-0.111) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.137 (180deg=-0.135) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 60 SER OG : rot 73:sc= 1.1 USER MOD Single : A 67 SER OG : rot -74:sc= -0.304 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0757 K(o=-0.076,f=-0.61) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 100 LYS NZ :NH3+ 171:sc=-0.00358 (180deg=-0.0901) USER MOD Single : A 103 LYS NZ :NH3+ -177:sc= 0.627 (180deg=0.583) USER MOD Single : A 110 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.61) USER MOD Single : A 112 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 11.147 8.206 0.191 1.00 0.00 N ATOM 32 CA ALA A 20 10.324 7.073 0.589 1.00 0.00 C ATOM 33 C ALA A 20 8.828 7.374 0.379 1.00 0.00 C ATOM 34 O ALA A 20 8.082 6.560 -0.195 1.00 0.00 O ATOM 35 CB ALA A 20 10.609 6.696 2.026 1.00 0.00 C ATOM 0 HA ALA A 20 10.579 6.223 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.987 5.847 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.660 6.426 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.386 7.543 2.675 1.00 0.00 H new ATOM 41 N THR A 21 8.403 8.547 0.816 1.00 0.00 N ATOM 42 CA THR A 21 7.025 8.953 0.690 1.00 0.00 C ATOM 43 C THR A 21 6.589 9.121 -0.764 1.00 0.00 C ATOM 44 O THR A 21 5.467 8.780 -1.110 1.00 0.00 O ATOM 45 CB THR A 21 6.742 10.220 1.505 1.00 0.00 C ATOM 46 OG1 THR A 21 7.857 11.141 1.389 1.00 0.00 O ATOM 47 CG2 THR A 21 6.483 9.882 2.967 1.00 0.00 C ATOM 0 H THR A 21 9.005 9.238 1.265 1.00 0.00 H new ATOM 0 HA THR A 21 6.424 8.142 1.102 1.00 0.00 H new ATOM 0 HB THR A 21 5.845 10.694 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.669 11.949 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.285 10.799 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.620 9.220 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.358 9.385 3.386 1.00 0.00 H new ATOM 55 N GLN A 22 7.483 9.623 -1.614 1.00 0.00 N ATOM 56 CA GLN A 22 7.174 9.750 -3.026 1.00 0.00 C ATOM 57 C GLN A 22 7.076 8.367 -3.655 1.00 0.00 C ATOM 58 O GLN A 22 6.293 8.144 -4.558 1.00 0.00 O ATOM 59 CB GLN A 22 8.164 10.643 -3.795 1.00 0.00 C ATOM 60 CG GLN A 22 9.560 10.076 -3.935 1.00 0.00 C ATOM 61 CD GLN A 22 10.479 10.924 -4.787 1.00 0.00 C ATOM 62 OE1 GLN A 22 9.938 11.583 -5.772 1.00 0.00 O flip ATOM 63 NE2 GLN A 22 11.695 10.950 -4.575 1.00 0.00 N flip ATOM 0 H GLN A 22 8.414 9.943 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 22 6.211 10.256 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.763 10.831 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.228 11.607 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.998 9.965 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.495 9.078 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.088 10.423 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.306 11.499 -5.180 1.00 0.00 H new ATOM 72 N ARG A 23 7.890 7.448 -3.183 1.00 0.00 N ATOM 73 CA ARG A 23 7.858 6.094 -3.669 1.00 0.00 C ATOM 74 C ARG A 23 6.514 5.433 -3.345 1.00 0.00 C ATOM 75 O ARG A 23 6.033 4.601 -4.103 1.00 0.00 O ATOM 76 CB ARG A 23 9.028 5.294 -3.100 1.00 0.00 C ATOM 77 CG ARG A 23 9.080 3.840 -3.537 1.00 0.00 C ATOM 78 CD ARG A 23 9.067 3.688 -5.057 1.00 0.00 C ATOM 79 NE ARG A 23 10.111 4.477 -5.733 1.00 0.00 N ATOM 80 CZ ARG A 23 10.291 4.499 -7.063 1.00 0.00 C ATOM 81 NH1 ARG A 23 9.524 3.760 -7.854 1.00 0.00 N ATOM 82 NH2 ARG A 23 11.225 5.280 -7.589 1.00 0.00 N ATOM 0 H ARG A 23 8.586 7.620 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 23 7.962 6.111 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.959 5.780 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.979 5.330 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.980 3.375 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.229 3.306 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.196 2.636 -5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.091 3.990 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 23 10.735 5.041 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.794 3.172 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.664 3.780 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.804 5.862 -6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.364 5.299 -8.599 1.00 0.00 H new ATOM 96 N PHE A 24 5.916 5.805 -2.237 1.00 0.00 N ATOM 97 CA PHE A 24 4.620 5.258 -1.886 1.00 0.00 C ATOM 98 C PHE A 24 3.520 6.334 -1.924 1.00 0.00 C ATOM 99 O PHE A 24 2.542 6.270 -1.176 1.00 0.00 O ATOM 100 CB PHE A 24 4.679 4.501 -0.527 1.00 0.00 C ATOM 101 CG PHE A 24 5.547 3.247 -0.581 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.473 2.399 -1.677 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.434 2.911 0.445 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.251 1.272 -1.764 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.207 1.770 0.346 1.00 0.00 C ATOM 106 CZ PHE A 24 7.118 0.958 -0.754 1.00 0.00 C ATOM 0 H PHE A 24 6.297 6.475 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 24 4.349 4.522 -2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.066 5.172 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.668 4.224 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.788 2.631 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.515 3.544 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.179 0.632 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.889 1.516 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.731 0.072 -0.823 1.00 0.00 H new ATOM 116 N HIS A 25 3.629 7.260 -2.882 1.00 0.00 N ATOM 117 CA HIS A 25 2.660 8.371 -2.989 1.00 0.00 C ATOM 118 C HIS A 25 1.374 7.869 -3.624 1.00 0.00 C ATOM 119 O HIS A 25 0.274 8.235 -3.229 1.00 0.00 O ATOM 120 CB HIS A 25 3.226 9.608 -3.781 1.00 0.00 C ATOM 121 CG HIS A 25 3.276 9.508 -5.306 1.00 0.00 C ATOM 122 ND1 HIS A 25 4.373 9.104 -6.008 1.00 0.00 N ATOM 123 CD2 HIS A 25 2.343 9.797 -6.238 1.00 0.00 C ATOM 124 CE1 HIS A 25 4.128 9.147 -7.289 1.00 0.00 C ATOM 125 NE2 HIS A 25 2.902 9.563 -7.461 1.00 0.00 N ATOM 0 H HIS A 25 4.365 7.269 -3.588 1.00 0.00 H new ATOM 0 HA HIS A 25 2.459 8.724 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.623 10.478 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.237 9.802 -3.423 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.257 8.811 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.339 10.149 -6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.821 8.883 -8.074 1.00 0.00 H new ATOM 134 N GLU A 26 1.534 7.001 -4.588 1.00 0.00 N ATOM 135 CA GLU A 26 0.438 6.423 -5.301 1.00 0.00 C ATOM 136 C GLU A 26 -0.321 5.480 -4.400 1.00 0.00 C ATOM 137 O GLU A 26 -1.538 5.424 -4.443 1.00 0.00 O ATOM 138 CB GLU A 26 0.886 5.728 -6.620 1.00 0.00 C ATOM 139 CG GLU A 26 2.097 4.778 -6.518 1.00 0.00 C ATOM 140 CD GLU A 26 3.432 5.508 -6.492 1.00 0.00 C ATOM 141 OE1 GLU A 26 3.799 6.068 -5.451 1.00 0.00 O ATOM 142 OE2 GLU A 26 4.126 5.534 -7.531 1.00 0.00 O ATOM 0 H GLU A 26 2.448 6.674 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.230 7.230 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.041 5.163 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.119 6.502 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.002 4.175 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.083 4.090 -7.363 1.00 0.00 H new ATOM 149 N ILE A 27 0.407 4.812 -3.523 1.00 0.00 N ATOM 150 CA ILE A 27 -0.190 3.869 -2.598 1.00 0.00 C ATOM 151 C ILE A 27 -1.079 4.634 -1.613 1.00 0.00 C ATOM 152 O ILE A 27 -2.186 4.199 -1.286 1.00 0.00 O ATOM 153 CB ILE A 27 0.878 3.087 -1.799 1.00 0.00 C ATOM 154 CG1 ILE A 27 2.010 2.570 -2.713 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.214 1.920 -1.082 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.574 1.615 -3.800 1.00 0.00 C ATOM 0 H ILE A 27 1.419 4.907 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.771 3.152 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 27 1.326 3.765 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.499 3.426 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.757 2.074 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.964 1.366 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.548 2.298 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.250 1.259 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.441 1.310 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.114 0.736 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.852 2.109 -4.450 1.00 0.00 H new ATOM 168 N GLU A 28 -0.583 5.790 -1.174 1.00 0.00 N ATOM 169 CA GLU A 28 -1.327 6.679 -0.291 1.00 0.00 C ATOM 170 C GLU A 28 -2.618 7.121 -0.973 1.00 0.00 C ATOM 171 O GLU A 28 -3.694 7.107 -0.360 1.00 0.00 O ATOM 172 CB GLU A 28 -0.466 7.896 0.089 1.00 0.00 C ATOM 173 CG GLU A 28 -1.184 8.946 0.936 1.00 0.00 C ATOM 174 CD GLU A 28 -0.305 10.127 1.262 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.387 10.641 0.353 1.00 0.00 O ATOM 176 OE2 GLU A 28 -0.257 10.562 2.446 1.00 0.00 O ATOM 0 H GLU A 28 0.345 6.134 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.581 6.144 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.411 7.547 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.107 8.369 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.070 9.293 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.528 8.487 1.863 1.00 0.00 H new ATOM 183 N LYS A 29 -2.512 7.459 -2.257 1.00 0.00 N ATOM 184 CA LYS A 29 -3.671 7.878 -3.035 1.00 0.00 C ATOM 185 C LYS A 29 -4.689 6.768 -3.129 1.00 0.00 C ATOM 186 O LYS A 29 -5.875 7.005 -2.941 1.00 0.00 O ATOM 187 CB LYS A 29 -3.299 8.376 -4.433 1.00 0.00 C ATOM 188 CG LYS A 29 -2.490 9.660 -4.454 1.00 0.00 C ATOM 189 CD LYS A 29 -2.249 10.119 -5.881 1.00 0.00 C ATOM 190 CE LYS A 29 -1.469 11.420 -5.927 1.00 0.00 C ATOM 191 NZ LYS A 29 -1.243 11.887 -7.313 1.00 0.00 N ATOM 0 H LYS A 29 -1.635 7.450 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.110 8.720 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.732 7.597 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.214 8.530 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.017 10.437 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.536 9.503 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.703 9.348 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.205 10.250 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.010 12.186 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.508 11.284 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.707 12.778 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.704 11.169 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.159 12.043 -7.780 1.00 0.00 H new ATOM 205 N PHE A 30 -4.230 5.560 -3.396 1.00 0.00 N ATOM 206 CA PHE A 30 -5.112 4.411 -3.436 1.00 0.00 C ATOM 207 C PHE A 30 -5.790 4.189 -2.106 1.00 0.00 C ATOM 208 O PHE A 30 -6.991 4.067 -2.053 1.00 0.00 O ATOM 209 CB PHE A 30 -4.388 3.141 -3.866 1.00 0.00 C ATOM 210 CG PHE A 30 -4.208 2.998 -5.354 1.00 0.00 C ATOM 211 CD1 PHE A 30 -5.250 2.529 -6.141 1.00 0.00 C ATOM 212 CD2 PHE A 30 -3.009 3.307 -5.962 1.00 0.00 C ATOM 213 CE1 PHE A 30 -5.096 2.377 -7.504 1.00 0.00 C ATOM 214 CE2 PHE A 30 -2.848 3.161 -7.325 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.892 2.695 -8.097 1.00 0.00 C ATOM 0 H PHE A 30 -3.251 5.350 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.871 4.635 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.408 3.118 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.942 2.279 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.195 2.279 -5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.185 3.668 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.915 2.010 -8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.905 3.412 -7.787 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.767 2.579 -9.163 1.00 0.00 H new ATOM 225 N LEU A 31 -5.020 4.205 -1.034 1.00 0.00 N ATOM 226 CA LEU A 31 -5.552 3.963 0.302 1.00 0.00 C ATOM 227 C LEU A 31 -6.645 4.991 0.640 1.00 0.00 C ATOM 228 O LEU A 31 -7.740 4.620 1.125 1.00 0.00 O ATOM 229 CB LEU A 31 -4.391 3.944 1.341 1.00 0.00 C ATOM 230 CG LEU A 31 -4.686 3.435 2.783 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.377 3.180 3.513 1.00 0.00 C ATOM 232 CD2 LEU A 31 -5.509 4.437 3.587 1.00 0.00 C ATOM 0 H LEU A 31 -4.016 4.384 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.028 2.983 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.590 3.329 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.003 4.959 1.422 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.263 2.515 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.586 2.824 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.801 2.427 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.804 4.106 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.691 4.040 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.963 5.377 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.462 4.610 3.086 1.00 0.00 H new ATOM 244 N LEU A 32 -6.387 6.265 0.349 1.00 0.00 N ATOM 245 CA LEU A 32 -7.378 7.284 0.625 1.00 0.00 C ATOM 246 C LEU A 32 -8.582 7.158 -0.314 1.00 0.00 C ATOM 247 O LEU A 32 -9.726 7.361 0.102 1.00 0.00 O ATOM 248 CB LEU A 32 -6.768 8.717 0.693 1.00 0.00 C ATOM 249 CG LEU A 32 -6.047 9.296 -0.543 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.024 9.807 -1.599 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.081 10.393 -0.129 1.00 0.00 C ATOM 0 H LEU A 32 -5.520 6.603 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.761 7.108 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.574 9.403 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.059 8.731 1.521 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.484 8.482 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.467 10.204 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.660 8.987 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.643 10.595 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.581 10.790 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.630 11.193 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.338 9.984 0.555 1.00 0.00 H new ATOM 263 N HIS A 33 -8.310 6.770 -1.560 1.00 0.00 N ATOM 264 CA HIS A 33 -9.349 6.544 -2.558 1.00 0.00 C ATOM 265 C HIS A 33 -10.276 5.452 -2.076 1.00 0.00 C ATOM 266 O HIS A 33 -11.471 5.644 -2.001 1.00 0.00 O ATOM 267 CB HIS A 33 -8.723 6.132 -3.923 1.00 0.00 C ATOM 268 CG HIS A 33 -9.720 5.850 -5.024 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.972 4.583 -5.536 1.00 0.00 N ATOM 270 CD2 HIS A 33 -10.525 6.688 -5.716 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.879 4.674 -6.474 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.231 5.930 -6.606 1.00 0.00 N ATOM 0 H HIS A 33 -7.364 6.604 -1.903 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.907 7.470 -2.699 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.054 6.927 -4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.111 5.243 -3.771 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -9.522 3.720 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.596 7.758 -5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.274 3.848 -7.047 1.00 0.00 H new ATOM 281 N ILE A 34 -9.691 4.347 -1.676 1.00 0.00 N ATOM 282 CA ILE A 34 -10.415 3.167 -1.297 1.00 0.00 C ATOM 283 C ILE A 34 -11.277 3.406 -0.074 1.00 0.00 C ATOM 284 O ILE A 34 -12.453 3.080 -0.081 1.00 0.00 O ATOM 285 CB ILE A 34 -9.444 1.969 -1.134 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.790 1.707 -2.502 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.156 0.721 -0.606 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.696 0.684 -2.513 1.00 0.00 C ATOM 0 H ILE A 34 -8.678 4.246 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.109 2.911 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.683 2.212 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.565 1.391 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.387 2.647 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.438 -0.093 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.595 0.937 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.942 0.429 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.306 0.579 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.894 1.002 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.090 -0.274 -2.175 1.00 0.00 H new ATOM 300 N THR A 35 -10.726 4.048 0.929 1.00 0.00 N ATOM 301 CA THR A 35 -11.482 4.339 2.130 1.00 0.00 C ATOM 302 C THR A 35 -12.668 5.286 1.797 1.00 0.00 C ATOM 303 O THR A 35 -13.820 5.085 2.260 1.00 0.00 O ATOM 304 CB THR A 35 -10.591 5.016 3.174 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.365 4.262 3.347 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.310 5.094 4.506 1.00 0.00 C ATOM 0 H THR A 35 -9.761 4.379 0.940 1.00 0.00 H new ATOM 0 HA THR A 35 -11.859 3.398 2.530 1.00 0.00 H new ATOM 0 HB THR A 35 -10.358 6.022 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.758 4.449 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.665 5.578 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.227 5.672 4.391 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.556 4.088 4.846 1.00 0.00 H new ATOM 314 N HIS A 36 -12.399 6.285 0.968 1.00 0.00 N ATOM 315 CA HIS A 36 -13.418 7.237 0.615 1.00 0.00 C ATOM 316 C HIS A 36 -14.480 6.611 -0.289 1.00 0.00 C ATOM 317 O HIS A 36 -15.643 6.990 -0.246 1.00 0.00 O ATOM 318 CB HIS A 36 -12.841 8.528 0.041 1.00 0.00 C ATOM 319 CG HIS A 36 -13.847 9.635 0.007 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.739 9.856 1.035 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.121 10.564 -0.926 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.507 10.867 0.736 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.157 11.318 -0.450 1.00 0.00 N ATOM 0 H HIS A 36 -11.490 6.448 0.536 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.919 7.525 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -11.984 8.837 0.639 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.475 8.342 -0.969 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.790 9.313 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -13.617 10.690 -1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.296 11.266 1.356 1.00 0.00 H new ATOM 332 N GLU A 37 -14.074 5.658 -1.104 1.00 0.00 N ATOM 333 CA GLU A 37 -15.013 4.919 -1.911 1.00 0.00 C ATOM 334 C GLU A 37 -15.926 4.088 -1.037 1.00 0.00 C ATOM 335 O GLU A 37 -17.060 3.870 -1.393 1.00 0.00 O ATOM 336 CB GLU A 37 -14.354 4.069 -2.992 1.00 0.00 C ATOM 337 CG GLU A 37 -13.586 4.865 -4.029 1.00 0.00 C ATOM 338 CD GLU A 37 -14.398 5.983 -4.634 1.00 0.00 C ATOM 339 OE1 GLU A 37 -15.335 5.706 -5.398 1.00 0.00 O ATOM 340 OE2 GLU A 37 -14.079 7.164 -4.388 1.00 0.00 O ATOM 0 H GLU A 37 -13.100 5.380 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.610 5.659 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.674 3.361 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.123 3.483 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.690 5.282 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.254 4.194 -4.822 1.00 0.00 H new ATOM 347 N VAL A 38 -15.417 3.620 0.115 1.00 0.00 N ATOM 348 CA VAL A 38 -16.212 2.916 1.087 1.00 0.00 C ATOM 349 C VAL A 38 -17.316 3.841 1.547 1.00 0.00 C ATOM 350 O VAL A 38 -18.462 3.435 1.664 1.00 0.00 O ATOM 351 CB VAL A 38 -15.371 2.444 2.310 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.244 1.704 3.320 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.257 1.534 1.854 1.00 0.00 C ATOM 0 H VAL A 38 -14.439 3.729 0.382 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.619 2.019 0.621 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.950 3.328 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.633 1.385 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.033 2.367 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.690 0.831 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.675 1.210 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.680 0.663 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.609 2.071 1.161 1.00 0.00 H new ATOM 363 N ASP A 39 -16.967 5.113 1.738 1.00 0.00 N ATOM 364 CA ASP A 39 -17.968 6.119 2.125 1.00 0.00 C ATOM 365 C ASP A 39 -19.042 6.235 1.026 1.00 0.00 C ATOM 366 O ASP A 39 -20.271 6.292 1.293 1.00 0.00 O ATOM 367 CB ASP A 39 -17.371 7.536 2.340 1.00 0.00 C ATOM 368 CG ASP A 39 -16.259 7.640 3.353 1.00 0.00 C ATOM 369 OD1 ASP A 39 -16.453 7.277 4.530 1.00 0.00 O ATOM 370 OD2 ASP A 39 -15.162 8.105 2.987 1.00 0.00 O ATOM 0 H ASP A 39 -16.018 5.472 1.635 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.384 5.775 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.998 7.900 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.176 8.205 2.644 1.00 0.00 H new ATOM 375 N ASP A 40 -18.570 6.218 -0.205 1.00 0.00 N ATOM 376 CA ASP A 40 -19.378 6.406 -1.383 1.00 0.00 C ATOM 377 C ASP A 40 -20.299 5.240 -1.571 1.00 0.00 C ATOM 378 O ASP A 40 -21.486 5.416 -1.713 1.00 0.00 O ATOM 379 CB ASP A 40 -18.456 6.588 -2.605 1.00 0.00 C ATOM 380 CG ASP A 40 -19.177 6.750 -3.929 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.586 5.740 -4.523 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.293 7.892 -4.421 1.00 0.00 O ATOM 0 H ASP A 40 -17.583 6.068 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.992 7.299 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.827 7.463 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.792 5.726 -2.672 1.00 0.00 H new ATOM 387 N LEU A 41 -19.764 4.057 -1.470 1.00 0.00 N ATOM 388 CA LEU A 41 -20.510 2.860 -1.664 1.00 0.00 C ATOM 389 C LEU A 41 -21.505 2.653 -0.548 1.00 0.00 C ATOM 390 O LEU A 41 -22.591 2.134 -0.772 1.00 0.00 O ATOM 391 CB LEU A 41 -19.601 1.647 -1.942 1.00 0.00 C ATOM 392 CG LEU A 41 -18.511 1.323 -0.928 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.029 0.587 0.300 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.380 0.593 -1.594 1.00 0.00 C ATOM 0 H LEU A 41 -18.781 3.901 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.104 2.969 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.238 0.768 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.122 1.803 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.132 2.272 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.201 0.387 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.774 1.202 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.483 -0.356 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.608 0.368 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.751 -0.336 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.958 1.217 -2.382 1.00 0.00 H new ATOM 406 N GLU A 42 -21.125 3.074 0.646 1.00 0.00 N ATOM 407 CA GLU A 42 -21.966 2.972 1.805 1.00 0.00 C ATOM 408 C GLU A 42 -23.227 3.843 1.654 1.00 0.00 C ATOM 409 O GLU A 42 -24.301 3.467 2.112 1.00 0.00 O ATOM 410 CB GLU A 42 -21.187 3.339 3.067 1.00 0.00 C ATOM 411 CG GLU A 42 -21.979 3.183 4.334 1.00 0.00 C ATOM 412 CD GLU A 42 -21.179 3.481 5.571 1.00 0.00 C ATOM 413 OE1 GLU A 42 -21.082 4.660 5.965 1.00 0.00 O ATOM 414 OE2 GLU A 42 -20.652 2.548 6.193 1.00 0.00 O ATOM 0 H GLU A 42 -20.216 3.498 0.830 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.293 1.936 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.296 2.714 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.848 4.372 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -22.843 3.846 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.362 2.164 4.393 1.00 0.00 H new ATOM 421 N LYS A 43 -23.106 4.991 0.980 1.00 0.00 N ATOM 422 CA LYS A 43 -24.292 5.840 0.768 1.00 0.00 C ATOM 423 C LYS A 43 -25.042 5.411 -0.499 1.00 0.00 C ATOM 424 O LYS A 43 -26.164 5.831 -0.768 1.00 0.00 O ATOM 425 CB LYS A 43 -23.952 7.375 0.808 1.00 0.00 C ATOM 426 CG LYS A 43 -22.913 7.919 -0.204 1.00 0.00 C ATOM 427 CD LYS A 43 -23.446 7.998 -1.637 1.00 0.00 C ATOM 428 CE LYS A 43 -22.412 8.583 -2.603 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.056 9.977 -2.265 1.00 0.00 N ATOM 0 H LYS A 43 -22.237 5.348 0.584 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.971 5.686 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.881 7.926 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.596 7.612 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.593 8.912 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.030 7.280 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -23.732 7.001 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.347 8.611 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.513 7.967 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.805 8.547 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.503 10.392 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.924 10.532 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.490 9.989 -1.392 1.00 0.00 H new ATOM 443 N THR A 44 -24.386 4.586 -1.245 1.00 0.00 N ATOM 444 CA THR A 44 -24.814 4.115 -2.532 1.00 0.00 C ATOM 445 C THR A 44 -25.604 2.775 -2.472 1.00 0.00 C ATOM 446 O THR A 44 -26.670 2.650 -3.073 1.00 0.00 O ATOM 447 CB THR A 44 -23.544 4.026 -3.390 1.00 0.00 C ATOM 448 OG1 THR A 44 -23.110 5.327 -3.781 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.599 3.107 -4.559 1.00 0.00 C ATOM 0 H THR A 44 -23.486 4.197 -0.963 1.00 0.00 H new ATOM 0 HA THR A 44 -25.535 4.804 -2.971 1.00 0.00 H new ATOM 0 HB THR A 44 -22.809 3.563 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.325 5.582 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.645 3.131 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.799 2.092 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.394 3.424 -5.234 1.00 0.00 H new ATOM 457 N GLY A 45 -25.098 1.809 -1.749 1.00 0.00 N ATOM 458 CA GLY A 45 -25.762 0.510 -1.667 1.00 0.00 C ATOM 459 C GLY A 45 -24.766 -0.624 -1.751 1.00 0.00 C ATOM 460 O GLY A 45 -25.024 -1.731 -1.281 1.00 0.00 O ATOM 0 H GLY A 45 -24.236 1.884 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.316 0.441 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.488 0.419 -2.475 1.00 0.00 H new ATOM 464 N ASN A 46 -23.650 -0.334 -2.419 1.00 0.00 N ATOM 465 CA ASN A 46 -22.452 -1.197 -2.529 1.00 0.00 C ATOM 466 C ASN A 46 -22.755 -2.580 -3.093 1.00 0.00 C ATOM 467 O ASN A 46 -22.071 -3.538 -2.771 1.00 0.00 O ATOM 468 CB ASN A 46 -21.640 -1.288 -1.183 1.00 0.00 C ATOM 469 CG ASN A 46 -22.230 -2.154 -0.047 1.00 0.00 C ATOM 470 OD1 ASN A 46 -21.957 -3.345 0.040 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.982 -1.557 0.844 1.00 0.00 N ATOM 0 H ASN A 46 -23.541 0.545 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.811 -0.699 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -20.646 -1.671 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.510 -0.276 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -23.355 -2.085 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.195 -0.564 0.749 1.00 0.00 H new ATOM 478 N LYS A 47 -23.680 -2.637 -4.065 1.00 0.00 N ATOM 479 CA LYS A 47 -24.161 -3.921 -4.623 1.00 0.00 C ATOM 480 C LYS A 47 -23.032 -4.830 -5.185 1.00 0.00 C ATOM 481 O LYS A 47 -23.203 -6.038 -5.299 1.00 0.00 O ATOM 482 CB LYS A 47 -25.246 -3.721 -5.702 1.00 0.00 C ATOM 483 CG LYS A 47 -24.749 -3.063 -6.989 1.00 0.00 C ATOM 484 CD LYS A 47 -25.831 -3.003 -8.070 1.00 0.00 C ATOM 485 CE LYS A 47 -26.967 -2.048 -7.721 1.00 0.00 C ATOM 486 NZ LYS A 47 -26.515 -0.639 -7.685 1.00 0.00 N ATOM 0 H LYS A 47 -24.112 -1.813 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.597 -4.437 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.678 -4.691 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -26.048 -3.112 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.404 -2.053 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -23.890 -3.617 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.379 -2.693 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.238 -4.002 -8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -27.767 -2.153 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -27.384 -2.320 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -27.342 -0.010 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -25.911 -0.490 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -25.975 -0.426 -8.548 1.00 0.00 H new ATOM 500 N ASP A 48 -21.915 -4.235 -5.567 1.00 0.00 N ATOM 501 CA ASP A 48 -20.760 -4.998 -6.085 1.00 0.00 C ATOM 502 C ASP A 48 -19.471 -4.208 -5.902 1.00 0.00 C ATOM 503 O ASP A 48 -18.377 -4.767 -5.825 1.00 0.00 O ATOM 504 CB ASP A 48 -20.954 -5.323 -7.578 1.00 0.00 C ATOM 505 CG ASP A 48 -19.844 -6.184 -8.154 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.756 -7.373 -7.786 1.00 0.00 O ATOM 507 OD2 ASP A 48 -19.079 -5.705 -9.021 1.00 0.00 O ATOM 0 H ASP A 48 -21.770 -3.226 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.691 -5.929 -5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.907 -5.835 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.011 -4.391 -8.141 1.00 0.00 H new ATOM 512 N GLU A 49 -19.629 -2.907 -5.755 1.00 0.00 N ATOM 513 CA GLU A 49 -18.529 -1.955 -5.709 1.00 0.00 C ATOM 514 C GLU A 49 -17.596 -2.194 -4.565 1.00 0.00 C ATOM 515 O GLU A 49 -16.425 -2.028 -4.723 1.00 0.00 O ATOM 516 CB GLU A 49 -19.069 -0.527 -5.625 1.00 0.00 C ATOM 517 CG GLU A 49 -20.050 -0.153 -6.723 1.00 0.00 C ATOM 518 CD GLU A 49 -19.451 -0.265 -8.094 1.00 0.00 C ATOM 519 OE1 GLU A 49 -18.644 0.599 -8.468 1.00 0.00 O ATOM 520 OE2 GLU A 49 -19.773 -1.228 -8.822 1.00 0.00 O ATOM 0 H GLU A 49 -20.546 -2.469 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.963 -2.095 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.557 -0.394 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.229 0.167 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.925 -0.800 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.396 0.868 -6.564 1.00 0.00 H new ATOM 527 N LYS A 50 -18.105 -2.580 -3.425 1.00 0.00 N ATOM 528 CA LYS A 50 -17.242 -2.728 -2.279 1.00 0.00 C ATOM 529 C LYS A 50 -16.274 -3.879 -2.421 1.00 0.00 C ATOM 530 O LYS A 50 -15.077 -3.717 -2.241 1.00 0.00 O ATOM 531 CB LYS A 50 -18.044 -2.836 -1.029 1.00 0.00 C ATOM 532 CG LYS A 50 -17.198 -2.929 0.202 1.00 0.00 C ATOM 533 CD LYS A 50 -18.032 -2.764 1.417 1.00 0.00 C ATOM 534 CE LYS A 50 -18.996 -3.924 1.630 1.00 0.00 C ATOM 535 NZ LYS A 50 -18.284 -5.209 1.784 1.00 0.00 N ATOM 0 H LYS A 50 -19.089 -2.794 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.631 -1.827 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.699 -1.969 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.685 -3.715 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -16.690 -3.893 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.424 -2.162 0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.383 -2.671 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.598 -1.836 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.601 -3.735 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.681 -3.987 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.942 -5.930 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.908 -5.510 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.499 -5.093 2.456 1.00 0.00 H new ATOM 549 N ALA A 51 -16.797 -5.009 -2.757 1.00 0.00 N ATOM 550 CA ALA A 51 -15.970 -6.184 -3.056 1.00 0.00 C ATOM 551 C ALA A 51 -15.009 -5.892 -4.218 1.00 0.00 C ATOM 552 O ALA A 51 -13.836 -6.286 -4.189 1.00 0.00 O ATOM 553 CB ALA A 51 -16.838 -7.389 -3.372 1.00 0.00 C ATOM 0 H ALA A 51 -17.801 -5.169 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.377 -6.413 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.203 -8.248 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.472 -7.615 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.463 -7.170 -4.238 1.00 0.00 H new ATOM 559 N ARG A 52 -15.491 -5.170 -5.208 1.00 0.00 N ATOM 560 CA ARG A 52 -14.668 -4.791 -6.342 1.00 0.00 C ATOM 561 C ARG A 52 -13.568 -3.809 -5.908 1.00 0.00 C ATOM 562 O ARG A 52 -12.424 -3.904 -6.342 1.00 0.00 O ATOM 563 CB ARG A 52 -15.527 -4.203 -7.451 1.00 0.00 C ATOM 564 CG ARG A 52 -14.747 -3.801 -8.674 1.00 0.00 C ATOM 565 CD ARG A 52 -15.662 -3.398 -9.795 1.00 0.00 C ATOM 566 NE ARG A 52 -14.921 -3.018 -10.989 1.00 0.00 N ATOM 567 CZ ARG A 52 -15.453 -2.431 -12.060 1.00 0.00 C ATOM 568 NH1 ARG A 52 -16.757 -2.141 -12.096 1.00 0.00 N ATOM 569 NH2 ARG A 52 -14.681 -2.136 -13.091 1.00 0.00 N ATOM 0 H ARG A 52 -16.452 -4.832 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.182 -5.685 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.284 -4.933 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.055 -3.331 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.082 -2.973 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.117 -4.631 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.333 -4.224 -10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.285 -2.564 -9.473 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.921 -3.216 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.352 -2.369 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.157 -1.691 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.686 -2.358 -13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.080 -1.687 -13.915 1.00 0.00 H new ATOM 583 N LEU A 53 -13.920 -2.895 -5.043 1.00 0.00 N ATOM 584 CA LEU A 53 -13.002 -1.965 -4.476 1.00 0.00 C ATOM 585 C LEU A 53 -11.950 -2.689 -3.598 1.00 0.00 C ATOM 586 O LEU A 53 -10.785 -2.304 -3.553 1.00 0.00 O ATOM 587 CB LEU A 53 -13.779 -0.975 -3.656 1.00 0.00 C ATOM 588 CG LEU A 53 -12.949 0.018 -2.961 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.330 1.003 -3.954 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.706 0.697 -1.849 1.00 0.00 C ATOM 0 H LEU A 53 -14.877 -2.780 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.464 -1.451 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.481 -0.453 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.371 -1.517 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.122 -0.505 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.720 1.728 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.706 0.460 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.122 1.524 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.058 1.424 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.578 1.206 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.030 -0.048 -1.122 1.00 0.00 H new ATOM 602 N LEU A 54 -12.369 -3.738 -2.915 1.00 0.00 N ATOM 603 CA LEU A 54 -11.457 -4.574 -2.142 1.00 0.00 C ATOM 604 C LEU A 54 -10.453 -5.235 -3.069 1.00 0.00 C ATOM 605 O LEU A 54 -9.289 -5.471 -2.711 1.00 0.00 O ATOM 606 CB LEU A 54 -12.203 -5.605 -1.295 1.00 0.00 C ATOM 607 CG LEU A 54 -13.100 -5.028 -0.198 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.799 -6.131 0.556 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.295 -4.171 0.758 1.00 0.00 C ATOM 0 H LEU A 54 -13.344 -4.037 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.919 -3.934 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.815 -6.219 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.472 -6.267 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.854 -4.402 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.431 -5.698 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.414 -6.709 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.057 -6.784 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.953 -3.771 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.517 -4.777 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.836 -3.348 0.210 1.00 0.00 H new ATOM 621 N ARG A 55 -10.905 -5.523 -4.262 1.00 0.00 N ATOM 622 CA ARG A 55 -10.055 -6.095 -5.279 1.00 0.00 C ATOM 623 C ARG A 55 -9.026 -5.042 -5.708 1.00 0.00 C ATOM 624 O ARG A 55 -7.865 -5.360 -5.933 1.00 0.00 O ATOM 625 CB ARG A 55 -10.900 -6.614 -6.450 1.00 0.00 C ATOM 626 CG ARG A 55 -10.123 -7.227 -7.603 1.00 0.00 C ATOM 627 CD ARG A 55 -11.072 -7.923 -8.570 1.00 0.00 C ATOM 628 NE ARG A 55 -11.721 -9.095 -7.939 1.00 0.00 N ATOM 629 CZ ARG A 55 -13.048 -9.283 -7.769 1.00 0.00 C ATOM 630 NH1 ARG A 55 -13.924 -8.366 -8.181 1.00 0.00 N ATOM 631 NH2 ARG A 55 -13.491 -10.406 -7.195 1.00 0.00 N ATOM 0 H ARG A 55 -11.869 -5.369 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.513 -6.956 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.597 -7.360 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.497 -5.788 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.564 -6.451 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.395 -7.942 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.834 -7.219 -8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.522 -8.242 -9.455 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.105 -9.834 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.595 -7.511 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.924 -8.519 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.828 -11.117 -6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.492 -10.552 -7.065 1.00 0.00 H new ATOM 645 N GLU A 56 -9.449 -3.779 -5.723 1.00 0.00 N ATOM 646 CA GLU A 56 -8.567 -2.666 -6.019 1.00 0.00 C ATOM 647 C GLU A 56 -7.450 -2.565 -4.960 1.00 0.00 C ATOM 648 O GLU A 56 -6.276 -2.346 -5.306 1.00 0.00 O ATOM 649 CB GLU A 56 -9.354 -1.340 -6.133 1.00 0.00 C ATOM 650 CG GLU A 56 -8.473 -0.124 -6.355 1.00 0.00 C ATOM 651 CD GLU A 56 -9.246 1.168 -6.565 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.736 1.395 -7.696 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.357 1.985 -5.635 1.00 0.00 O ATOM 0 H GLU A 56 -10.412 -3.505 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.101 -2.851 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.064 -1.419 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.937 -1.194 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.812 -0.005 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.838 -0.301 -7.223 1.00 0.00 H new ATOM 660 N LEU A 57 -7.787 -2.786 -3.679 1.00 0.00 N ATOM 661 CA LEU A 57 -6.760 -2.725 -2.641 1.00 0.00 C ATOM 662 C LEU A 57 -5.847 -3.911 -2.763 1.00 0.00 C ATOM 663 O LEU A 57 -4.676 -3.820 -2.483 1.00 0.00 O ATOM 664 CB LEU A 57 -7.319 -2.531 -1.183 1.00 0.00 C ATOM 665 CG LEU A 57 -8.080 -3.665 -0.480 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.132 -4.733 0.056 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.913 -3.095 0.647 1.00 0.00 C ATOM 0 H LEU A 57 -8.728 -3.001 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.183 -1.817 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.473 -2.269 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.981 -1.665 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.730 -4.141 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.708 -5.518 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.563 -5.162 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.446 -4.284 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.452 -3.901 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.262 -2.597 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.626 -2.376 0.244 1.00 0.00 H new ATOM 679 N THR A 58 -6.404 -5.018 -3.215 1.00 0.00 N ATOM 680 CA THR A 58 -5.651 -6.216 -3.457 1.00 0.00 C ATOM 681 C THR A 58 -4.595 -5.963 -4.552 1.00 0.00 C ATOM 682 O THR A 58 -3.434 -6.355 -4.412 1.00 0.00 O ATOM 683 CB THR A 58 -6.593 -7.387 -3.836 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.538 -7.598 -2.759 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.818 -8.675 -4.084 1.00 0.00 C ATOM 0 H THR A 58 -7.399 -5.104 -3.423 1.00 0.00 H new ATOM 0 HA THR A 58 -5.130 -6.499 -2.542 1.00 0.00 H new ATOM 0 HB THR A 58 -7.111 -7.124 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.252 -6.929 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.513 -9.473 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.113 -8.524 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.273 -8.951 -3.181 1.00 0.00 H new ATOM 693 N VAL A 59 -4.991 -5.256 -5.597 1.00 0.00 N ATOM 694 CA VAL A 59 -4.065 -4.891 -6.662 1.00 0.00 C ATOM 695 C VAL A 59 -3.014 -3.912 -6.111 1.00 0.00 C ATOM 696 O VAL A 59 -1.822 -4.049 -6.376 1.00 0.00 O ATOM 697 CB VAL A 59 -4.800 -4.258 -7.882 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.819 -3.927 -8.999 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.878 -5.194 -8.404 1.00 0.00 C ATOM 0 H VAL A 59 -5.945 -4.923 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.578 -5.801 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.267 -3.333 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.358 -3.487 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.076 -3.218 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.320 -4.839 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.379 -4.733 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.424 -6.134 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.606 -5.387 -7.616 1.00 0.00 H new ATOM 709 N SER A 60 -3.467 -2.968 -5.298 1.00 0.00 N ATOM 710 CA SER A 60 -2.584 -1.993 -4.663 1.00 0.00 C ATOM 711 C SER A 60 -1.552 -2.687 -3.773 1.00 0.00 C ATOM 712 O SER A 60 -0.362 -2.352 -3.765 1.00 0.00 O ATOM 713 CB SER A 60 -3.412 -0.985 -3.868 1.00 0.00 C ATOM 714 OG SER A 60 -4.385 -0.378 -4.706 1.00 0.00 O ATOM 0 H SER A 60 -4.452 -2.854 -5.059 1.00 0.00 H new ATOM 0 HA SER A 60 -2.036 -1.457 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.902 -1.485 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.760 -0.222 -3.444 1.00 0.00 H new ATOM 0 HG SER A 60 -5.095 -1.024 -4.904 1.00 0.00 H new ATOM 720 N GLU A 61 -2.024 -3.683 -3.089 1.00 0.00 N ATOM 721 CA GLU A 61 -1.239 -4.505 -2.198 1.00 0.00 C ATOM 722 C GLU A 61 -0.211 -5.295 -3.005 1.00 0.00 C ATOM 723 O GLU A 61 0.909 -5.511 -2.567 1.00 0.00 O ATOM 724 CB GLU A 61 -2.208 -5.421 -1.427 1.00 0.00 C ATOM 725 CG GLU A 61 -1.633 -6.204 -0.267 1.00 0.00 C ATOM 726 CD GLU A 61 -1.232 -7.613 -0.620 1.00 0.00 C ATOM 727 OE1 GLU A 61 -2.135 -8.481 -0.766 1.00 0.00 O ATOM 728 OE2 GLU A 61 -0.052 -7.906 -0.709 1.00 0.00 O ATOM 0 H GLU A 61 -3.004 -3.963 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.683 -3.901 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.027 -4.808 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.640 -6.130 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.762 -5.675 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.369 -6.237 0.537 1.00 0.00 H new ATOM 735 N ALA A 62 -0.582 -5.636 -4.218 1.00 0.00 N ATOM 736 CA ALA A 62 0.278 -6.394 -5.090 1.00 0.00 C ATOM 737 C ALA A 62 1.477 -5.576 -5.538 1.00 0.00 C ATOM 738 O ALA A 62 2.618 -6.064 -5.490 1.00 0.00 O ATOM 739 CB ALA A 62 -0.491 -6.949 -6.278 1.00 0.00 C ATOM 0 H ALA A 62 -1.486 -5.395 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 62 0.658 -7.241 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.186 -7.516 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.287 -7.603 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.924 -6.127 -6.848 1.00 0.00 H new ATOM 745 N PHE A 63 1.258 -4.334 -5.941 1.00 0.00 N ATOM 746 CA PHE A 63 2.392 -3.529 -6.365 1.00 0.00 C ATOM 747 C PHE A 63 3.210 -3.013 -5.205 1.00 0.00 C ATOM 748 O PHE A 63 4.422 -2.820 -5.330 1.00 0.00 O ATOM 749 CB PHE A 63 2.121 -2.495 -7.485 1.00 0.00 C ATOM 750 CG PHE A 63 0.881 -1.699 -7.338 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.781 -0.709 -6.390 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.200 -1.959 -8.152 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.379 0.004 -6.255 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.362 -1.254 -8.014 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.449 -0.275 -7.066 1.00 0.00 C ATOM 0 H PHE A 63 0.347 -3.877 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 63 3.035 -4.238 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.967 -1.810 -7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.082 -3.022 -8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.622 -0.493 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.128 -2.728 -8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.452 0.784 -5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.207 -1.470 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.367 0.283 -6.954 1.00 0.00 H new ATOM 765 N ILE A 64 2.560 -2.776 -4.068 1.00 0.00 N ATOM 766 CA ILE A 64 3.284 -2.356 -2.882 1.00 0.00 C ATOM 767 C ILE A 64 4.191 -3.528 -2.417 1.00 0.00 C ATOM 768 O ILE A 64 5.313 -3.321 -1.974 1.00 0.00 O ATOM 769 CB ILE A 64 2.321 -1.820 -1.742 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.002 -0.752 -0.850 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.746 -2.936 -0.880 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.146 -1.222 0.046 1.00 0.00 C ATOM 0 H ILE A 64 1.551 -2.867 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 64 3.916 -1.502 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 64 1.491 -1.347 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.382 0.038 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.238 -0.303 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.095 -2.508 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.172 -3.620 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.559 -3.480 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.533 -0.377 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.780 -1.986 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.943 -1.639 -0.570 1.00 0.00 H new ATOM 784 N GLU A 65 3.714 -4.763 -2.592 1.00 0.00 N ATOM 785 CA GLU A 65 4.510 -5.937 -2.279 1.00 0.00 C ATOM 786 C GLU A 65 5.709 -6.008 -3.228 1.00 0.00 C ATOM 787 O GLU A 65 6.828 -6.368 -2.828 1.00 0.00 O ATOM 788 CB GLU A 65 3.680 -7.207 -2.415 1.00 0.00 C ATOM 789 CG GLU A 65 4.449 -8.453 -2.050 1.00 0.00 C ATOM 790 CD GLU A 65 3.691 -9.712 -2.320 1.00 0.00 C ATOM 791 OE1 GLU A 65 2.933 -10.162 -1.441 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.862 -10.298 -3.417 1.00 0.00 O ATOM 0 H GLU A 65 2.781 -4.969 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 65 4.855 -5.857 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.800 -7.130 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.323 -7.294 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.384 -8.472 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.711 -8.414 -0.993 1.00 0.00 H new ATOM 799 N GLY A 66 5.469 -5.654 -4.477 1.00 0.00 N ATOM 800 CA GLY A 66 6.510 -5.643 -5.475 1.00 0.00 C ATOM 801 C GLY A 66 7.581 -4.617 -5.165 1.00 0.00 C ATOM 802 O GLY A 66 8.778 -4.930 -5.173 1.00 0.00 O ATOM 0 H GLY A 66 4.552 -5.369 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.963 -6.632 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.075 -5.429 -6.451 1.00 0.00 H new ATOM 806 N SER A 67 7.155 -3.424 -4.816 1.00 0.00 N ATOM 807 CA SER A 67 8.062 -2.356 -4.509 1.00 0.00 C ATOM 808 C SER A 67 8.774 -2.624 -3.191 1.00 0.00 C ATOM 809 O SER A 67 9.939 -2.274 -3.015 1.00 0.00 O ATOM 810 CB SER A 67 7.340 -1.005 -4.554 1.00 0.00 C ATOM 811 OG SER A 67 6.073 -1.080 -3.918 1.00 0.00 O ATOM 0 H SER A 67 6.169 -3.173 -4.739 1.00 0.00 H new ATOM 0 HA SER A 67 8.840 -2.308 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.951 -0.246 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.212 -0.692 -5.590 1.00 0.00 H new ATOM 0 HG SER A 67 5.449 -1.574 -4.490 1.00 0.00 H new ATOM 817 N ARG A 68 8.087 -3.292 -2.281 1.00 0.00 N ATOM 818 CA ARG A 68 8.699 -3.687 -1.036 1.00 0.00 C ATOM 819 C ARG A 68 9.772 -4.722 -1.295 1.00 0.00 C ATOM 820 O ARG A 68 10.879 -4.641 -0.755 1.00 0.00 O ATOM 821 CB ARG A 68 7.678 -4.189 -0.012 1.00 0.00 C ATOM 822 CG ARG A 68 8.293 -4.626 1.302 1.00 0.00 C ATOM 823 CD ARG A 68 7.266 -5.190 2.255 1.00 0.00 C ATOM 824 NE ARG A 68 7.871 -5.513 3.550 1.00 0.00 N ATOM 825 CZ ARG A 68 7.195 -5.616 4.701 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.864 -5.660 4.703 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.845 -5.736 5.852 1.00 0.00 N ATOM 0 H ARG A 68 7.111 -3.569 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 68 9.158 -2.801 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.953 -3.398 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.128 -5.027 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.059 -5.377 1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.790 -3.776 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.461 -4.469 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.819 -6.086 1.825 1.00 0.00 H new ATOM 0 HE ARG A 68 8.878 -5.670 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.351 -5.615 3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.358 -5.739 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.865 -5.750 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.325 -5.814 6.726 1.00 0.00 H new ATOM 841 N GLY A 69 9.455 -5.661 -2.153 1.00 0.00 N ATOM 842 CA GLY A 69 10.405 -6.659 -2.534 1.00 0.00 C ATOM 843 C GLY A 69 11.564 -6.042 -3.277 1.00 0.00 C ATOM 844 O GLY A 69 12.663 -6.553 -3.236 1.00 0.00 O ATOM 0 H GLY A 69 8.541 -5.749 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.770 -7.177 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.921 -7.406 -3.163 1.00 0.00 H new ATOM 848 N TYR A 70 11.324 -4.885 -3.877 1.00 0.00 N ATOM 849 CA TYR A 70 12.330 -4.215 -4.682 1.00 0.00 C ATOM 850 C TYR A 70 13.403 -3.698 -3.767 1.00 0.00 C ATOM 851 O TYR A 70 14.587 -3.939 -3.976 1.00 0.00 O ATOM 852 CB TYR A 70 11.699 -3.061 -5.478 1.00 0.00 C ATOM 853 CG TYR A 70 12.622 -2.393 -6.475 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.462 -1.344 -6.103 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.641 -2.804 -7.795 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.292 -0.740 -7.024 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.464 -2.200 -8.716 1.00 0.00 C ATOM 858 CZ TYR A 70 14.290 -1.172 -8.329 1.00 0.00 C ATOM 859 OH TYR A 70 15.108 -0.557 -9.264 1.00 0.00 O ATOM 0 H TYR A 70 10.434 -4.389 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 70 12.760 -4.916 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.827 -3.441 -6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.341 -2.308 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.463 -1.000 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.998 -3.613 -8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.941 0.069 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.461 -2.533 -9.743 1.00 0.00 H new ATOM 0 HH TYR A 70 14.986 -0.984 -10.137 1.00 0.00 H new ATOM 869 N PHE A 71 12.969 -3.037 -2.720 1.00 0.00 N ATOM 870 CA PHE A 71 13.863 -2.491 -1.733 1.00 0.00 C ATOM 871 C PHE A 71 14.594 -3.584 -0.995 1.00 0.00 C ATOM 872 O PHE A 71 15.780 -3.460 -0.695 1.00 0.00 O ATOM 873 CB PHE A 71 13.163 -1.516 -0.804 1.00 0.00 C ATOM 874 CG PHE A 71 12.762 -0.262 -1.508 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.728 0.565 -2.039 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.438 0.075 -1.669 1.00 0.00 C ATOM 877 CE1 PHE A 71 13.393 1.711 -2.710 1.00 0.00 C ATOM 878 CE2 PHE A 71 11.089 1.221 -2.345 1.00 0.00 C ATOM 879 CZ PHE A 71 12.076 2.043 -2.867 1.00 0.00 C ATOM 0 H PHE A 71 11.982 -2.863 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 71 14.619 -1.907 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.279 -1.991 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.824 -1.270 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.770 0.304 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.668 -0.564 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.165 2.349 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.048 1.480 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.805 2.944 -3.397 1.00 0.00 H new ATOM 889 N GLN A 72 13.869 -4.650 -0.709 1.00 0.00 N ATOM 890 CA GLN A 72 14.414 -5.827 -0.081 1.00 0.00 C ATOM 891 C GLN A 72 15.584 -6.383 -0.931 1.00 0.00 C ATOM 892 O GLN A 72 16.631 -6.746 -0.401 1.00 0.00 O ATOM 893 CB GLN A 72 13.298 -6.857 0.070 1.00 0.00 C ATOM 894 CG GLN A 72 13.694 -8.097 0.812 1.00 0.00 C ATOM 895 CD GLN A 72 14.083 -7.822 2.256 1.00 0.00 C ATOM 896 OE1 GLN A 72 13.569 -6.892 2.900 1.00 0.00 O ATOM 897 NE2 GLN A 72 14.983 -8.607 2.771 1.00 0.00 N ATOM 0 H GLN A 72 12.872 -4.718 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 72 14.809 -5.585 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.459 -6.392 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.945 -7.139 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.867 -8.806 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.531 -8.570 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.383 -9.360 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.289 -8.469 3.734 1.00 0.00 H new ATOM 906 N ARG A 73 15.403 -6.396 -2.254 1.00 0.00 N ATOM 907 CA ARG A 73 16.467 -6.813 -3.186 1.00 0.00 C ATOM 908 C ARG A 73 17.628 -5.838 -3.144 1.00 0.00 C ATOM 909 O ARG A 73 18.788 -6.237 -3.220 1.00 0.00 O ATOM 910 CB ARG A 73 15.959 -6.922 -4.635 1.00 0.00 C ATOM 911 CG ARG A 73 15.424 -8.282 -5.069 1.00 0.00 C ATOM 912 CD ARG A 73 14.296 -8.773 -4.205 1.00 0.00 C ATOM 913 NE ARG A 73 13.686 -9.996 -4.721 1.00 0.00 N ATOM 914 CZ ARG A 73 12.655 -10.626 -4.158 1.00 0.00 C ATOM 915 NH1 ARG A 73 12.151 -10.182 -3.009 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.133 -11.691 -4.750 1.00 0.00 N ATOM 0 H ARG A 73 14.532 -6.124 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 73 16.797 -7.800 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.169 -6.184 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.775 -6.647 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.082 -8.219 -6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.235 -9.010 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.668 -8.954 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.536 -7.996 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 73 14.077 -10.397 -5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.554 -9.360 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.362 -10.664 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.520 -12.025 -5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.344 -12.176 -4.323 1.00 0.00 H new ATOM 930 N GLU A 74 17.318 -4.563 -3.039 1.00 0.00 N ATOM 931 CA GLU A 74 18.340 -3.517 -2.974 1.00 0.00 C ATOM 932 C GLU A 74 19.233 -3.672 -1.746 1.00 0.00 C ATOM 933 O GLU A 74 20.437 -3.416 -1.813 1.00 0.00 O ATOM 934 CB GLU A 74 17.729 -2.118 -3.047 1.00 0.00 C ATOM 935 CG GLU A 74 17.014 -1.819 -4.356 1.00 0.00 C ATOM 936 CD GLU A 74 17.931 -1.916 -5.553 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.060 -3.006 -6.136 1.00 0.00 O ATOM 938 OE2 GLU A 74 18.541 -0.897 -5.939 1.00 0.00 O ATOM 0 H GLU A 74 16.360 -4.215 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 74 18.973 -3.639 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.024 -1.998 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.518 -1.381 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.185 -2.516 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.585 -0.818 -4.311 1.00 0.00 H new ATOM 945 N LEU A 75 18.656 -4.154 -0.657 1.00 0.00 N ATOM 946 CA LEU A 75 19.402 -4.425 0.572 1.00 0.00 C ATOM 947 C LEU A 75 20.437 -5.531 0.362 1.00 0.00 C ATOM 948 O LEU A 75 21.408 -5.644 1.118 1.00 0.00 O ATOM 949 CB LEU A 75 18.449 -4.825 1.705 1.00 0.00 C ATOM 950 CG LEU A 75 17.496 -3.743 2.215 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.523 -4.337 3.208 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.276 -2.626 2.884 1.00 0.00 C ATOM 0 H LEU A 75 17.661 -4.369 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 75 19.924 -3.508 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.852 -5.671 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.048 -5.175 2.546 1.00 0.00 H new ATOM 0 HG LEU A 75 16.947 -3.338 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.848 -3.559 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.945 -5.125 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.073 -4.756 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.585 -1.863 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 18.839 -3.029 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.965 -2.182 2.165 1.00 0.00 H new ATOM 964 N LYS A 76 20.245 -6.318 -0.678 1.00 0.00 N ATOM 965 CA LYS A 76 21.096 -7.456 -0.955 1.00 0.00 C ATOM 966 C LYS A 76 21.984 -7.178 -2.171 1.00 0.00 C ATOM 967 O LYS A 76 22.866 -7.965 -2.511 1.00 0.00 O ATOM 968 CB LYS A 76 20.246 -8.714 -1.193 1.00 0.00 C ATOM 969 CG LYS A 76 19.220 -9.011 -0.095 1.00 0.00 C ATOM 970 CD LYS A 76 19.850 -9.164 1.287 1.00 0.00 C ATOM 971 CE LYS A 76 18.777 -9.429 2.337 1.00 0.00 C ATOM 972 NZ LYS A 76 19.324 -9.572 3.699 1.00 0.00 N ATOM 0 H LYS A 76 19.494 -6.186 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 76 21.737 -7.626 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.721 -8.607 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.911 -9.572 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.485 -8.207 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.682 -9.925 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.568 -9.984 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.403 -8.260 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.056 -8.612 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.234 -10.337 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.548 -9.750 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.992 -10.369 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.819 -8.698 3.968 1.00 0.00 H new ATOM 986 N ARG A 77 21.745 -6.048 -2.807 1.00 0.00 N ATOM 987 CA ARG A 77 22.399 -5.679 -4.062 1.00 0.00 C ATOM 988 C ARG A 77 23.886 -5.408 -3.883 1.00 0.00 C ATOM 989 O ARG A 77 24.653 -5.496 -4.838 1.00 0.00 O ATOM 990 CB ARG A 77 21.752 -4.412 -4.615 1.00 0.00 C ATOM 991 CG ARG A 77 22.086 -4.124 -6.067 1.00 0.00 C ATOM 992 CD ARG A 77 21.330 -2.915 -6.571 1.00 0.00 C ATOM 993 NE ARG A 77 21.605 -2.647 -7.983 1.00 0.00 N ATOM 994 CZ ARG A 77 20.843 -1.895 -8.785 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.701 -1.371 -8.343 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.225 -1.671 -10.029 1.00 0.00 N ATOM 0 H ARG A 77 21.085 -5.348 -2.469 1.00 0.00 H new ATOM 0 HA ARG A 77 22.281 -6.520 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.670 -4.496 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.065 -3.563 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.158 -3.955 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.840 -4.992 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.260 -3.073 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.603 -2.043 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 77 22.443 -3.066 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.399 -1.542 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.128 -0.799 -8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.098 -2.071 -10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.648 -1.098 -10.645 1.00 0.00 H new ATOM 1010 N THR A 78 24.275 -5.045 -2.664 1.00 0.00 N ATOM 1011 CA THR A 78 25.633 -4.596 -2.326 1.00 0.00 C ATOM 1012 C THR A 78 25.845 -3.132 -2.782 1.00 0.00 C ATOM 1013 O THR A 78 26.550 -2.352 -2.127 1.00 0.00 O ATOM 1014 CB THR A 78 26.727 -5.551 -2.863 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.431 -6.881 -2.386 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.111 -5.141 -2.373 1.00 0.00 C ATOM 0 H THR A 78 23.645 -5.053 -1.862 1.00 0.00 H new ATOM 0 HA THR A 78 25.733 -4.625 -1.241 1.00 0.00 H new ATOM 0 HB THR A 78 26.731 -5.512 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.111 -7.505 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.856 -5.832 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.334 -4.131 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.134 -5.167 -1.284 1.00 0.00 H new ATOM 1024 N ASP A 79 25.174 -2.753 -3.866 1.00 0.00 N ATOM 1025 CA ASP A 79 25.154 -1.377 -4.348 1.00 0.00 C ATOM 1026 C ASP A 79 24.220 -0.527 -3.525 1.00 0.00 C ATOM 1027 O ASP A 79 23.118 -0.164 -3.966 1.00 0.00 O ATOM 1028 CB ASP A 79 24.792 -1.271 -5.841 1.00 0.00 C ATOM 1029 CG ASP A 79 25.939 -1.561 -6.754 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.354 -2.731 -6.859 1.00 0.00 O ATOM 1031 OD2 ASP A 79 26.455 -0.620 -7.388 1.00 0.00 O ATOM 0 H ASP A 79 24.626 -3.396 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 79 26.171 -1.001 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 79 23.979 -1.964 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.419 -0.267 -6.046 1.00 0.00 H new ATOM 1036 N LEU A 80 24.619 -0.330 -2.307 1.00 0.00 N ATOM 1037 CA LEU A 80 23.968 0.520 -1.354 1.00 0.00 C ATOM 1038 C LEU A 80 24.957 0.849 -0.277 1.00 0.00 C ATOM 1039 O LEU A 80 25.855 0.056 0.067 1.00 0.00 O ATOM 1040 CB LEU A 80 22.727 -0.150 -0.714 1.00 0.00 C ATOM 1041 CG LEU A 80 22.976 -1.213 0.378 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.683 -1.546 1.080 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.579 -2.490 -0.183 1.00 0.00 C ATOM 0 H LEU A 80 25.452 -0.781 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 80 23.621 1.414 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.105 0.635 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.147 -0.616 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 80 23.691 -0.784 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.869 -2.297 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.278 -0.646 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.967 -1.936 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.734 -3.205 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.901 -2.919 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.535 -2.264 -0.656 1.00 0.00 H new ATOM 1055 N ASP A 81 24.807 1.997 0.198 1.00 0.00 N ATOM 1056 CA ASP A 81 25.518 2.521 1.296 1.00 0.00 C ATOM 1057 C ASP A 81 24.500 2.563 2.395 1.00 0.00 C ATOM 1058 O ASP A 81 23.310 2.323 2.113 1.00 0.00 O ATOM 1059 CB ASP A 81 26.007 3.952 0.946 1.00 0.00 C ATOM 1060 CG ASP A 81 26.637 4.702 2.103 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.844 4.563 2.339 1.00 0.00 O ATOM 1062 OD2 ASP A 81 25.918 5.423 2.808 1.00 0.00 O ATOM 0 H ASP A 81 24.135 2.660 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 81 26.396 1.937 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.732 3.886 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.162 4.530 0.572 1.00 0.00 H new ATOM 1067 N LEU A 82 24.902 2.852 3.603 1.00 0.00 N ATOM 1068 CA LEU A 82 23.979 3.006 4.702 1.00 0.00 C ATOM 1069 C LEU A 82 22.889 4.033 4.352 1.00 0.00 C ATOM 1070 O LEU A 82 21.774 3.932 4.811 1.00 0.00 O ATOM 1071 CB LEU A 82 24.721 3.317 6.033 1.00 0.00 C ATOM 1072 CG LEU A 82 25.629 4.568 6.094 1.00 0.00 C ATOM 1073 CD1 LEU A 82 24.832 5.854 6.226 1.00 0.00 C ATOM 1074 CD2 LEU A 82 26.632 4.451 7.222 1.00 0.00 C ATOM 0 H LEU A 82 25.881 2.988 3.857 1.00 0.00 H new ATOM 0 HA LEU A 82 23.470 2.056 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.970 3.413 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.333 2.450 6.282 1.00 0.00 H new ATOM 0 HG LEU A 82 26.166 4.615 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.515 6.703 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.169 5.961 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.240 5.823 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 82 27.259 5.342 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 82 26.103 4.355 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.257 3.572 7.064 1.00 0.00 H new ATOM 1086 N LEU A 83 23.254 5.003 3.516 1.00 0.00 N ATOM 1087 CA LEU A 83 22.348 6.036 3.035 1.00 0.00 C ATOM 1088 C LEU A 83 21.198 5.450 2.254 1.00 0.00 C ATOM 1089 O LEU A 83 20.034 5.767 2.475 1.00 0.00 O ATOM 1090 CB LEU A 83 23.079 6.838 2.009 1.00 0.00 C ATOM 1091 CG LEU A 83 22.320 8.043 1.502 1.00 0.00 C ATOM 1092 CD1 LEU A 83 22.418 9.208 2.461 1.00 0.00 C ATOM 1093 CD2 LEU A 83 22.745 8.399 0.124 1.00 0.00 C ATOM 0 H LEU A 83 24.202 5.092 3.150 1.00 0.00 H new ATOM 0 HA LEU A 83 22.000 6.594 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.026 7.172 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 83 23.319 6.193 1.164 1.00 0.00 H new ATOM 0 HG LEU A 83 21.264 7.779 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.860 10.055 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 83 22.001 8.921 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.464 9.489 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 83 22.184 9.269 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.810 8.630 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 83 22.554 7.559 -0.544 1.00 0.00 H new ATOM 1105 N GLU A 84 21.550 4.601 1.336 1.00 0.00 N ATOM 1106 CA GLU A 84 20.608 4.005 0.449 1.00 0.00 C ATOM 1107 C GLU A 84 19.786 3.034 1.219 1.00 0.00 C ATOM 1108 O GLU A 84 18.570 2.995 1.091 1.00 0.00 O ATOM 1109 CB GLU A 84 21.346 3.367 -0.704 1.00 0.00 C ATOM 1110 CG GLU A 84 22.123 4.379 -1.523 1.00 0.00 C ATOM 1111 CD GLU A 84 22.984 3.743 -2.558 1.00 0.00 C ATOM 1112 OE1 GLU A 84 22.515 3.513 -3.679 1.00 0.00 O ATOM 1113 OE2 GLU A 84 24.159 3.459 -2.257 1.00 0.00 O ATOM 0 H GLU A 84 22.513 4.302 1.183 1.00 0.00 H new ATOM 0 HA GLU A 84 19.933 4.747 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.031 2.611 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.633 2.853 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.424 5.061 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.745 4.978 -0.858 1.00 0.00 H new ATOM 1120 N LYS A 85 20.465 2.318 2.094 1.00 0.00 N ATOM 1121 CA LYS A 85 19.861 1.385 2.999 1.00 0.00 C ATOM 1122 C LYS A 85 18.846 2.118 3.841 1.00 0.00 C ATOM 1123 O LYS A 85 17.773 1.610 4.091 1.00 0.00 O ATOM 1124 CB LYS A 85 20.926 0.742 3.895 1.00 0.00 C ATOM 1125 CG LYS A 85 20.383 -0.304 4.847 1.00 0.00 C ATOM 1126 CD LYS A 85 21.478 -0.921 5.689 1.00 0.00 C ATOM 1127 CE LYS A 85 20.898 -1.933 6.656 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.928 -2.552 7.507 1.00 0.00 N ATOM 0 H LYS A 85 21.479 2.378 2.190 1.00 0.00 H new ATOM 0 HA LYS A 85 19.371 0.592 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.688 0.284 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.419 1.523 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.636 0.150 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.878 -1.085 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.212 -1.405 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.003 -0.142 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.155 -1.444 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.379 -2.710 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.481 -3.236 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.624 -3.042 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.407 -1.815 8.063 1.00 0.00 H new ATOM 1142 N PHE A 86 19.182 3.348 4.210 1.00 0.00 N ATOM 1143 CA PHE A 86 18.318 4.171 5.001 1.00 0.00 C ATOM 1144 C PHE A 86 17.004 4.450 4.287 1.00 0.00 C ATOM 1145 O PHE A 86 15.963 4.413 4.885 1.00 0.00 O ATOM 1146 CB PHE A 86 19.017 5.469 5.454 1.00 0.00 C ATOM 1147 CG PHE A 86 18.143 6.415 6.238 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.825 6.153 7.560 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.646 7.572 5.651 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.028 7.018 8.282 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.848 8.440 6.367 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.539 8.163 7.683 1.00 0.00 C ATOM 0 H PHE A 86 20.067 3.791 3.961 1.00 0.00 H new ATOM 0 HA PHE A 86 18.078 3.612 5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.882 5.206 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.393 5.989 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.206 5.260 8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.887 7.794 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.787 6.801 9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.466 9.335 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.915 8.842 8.245 1.00 0.00 H new ATOM 1162 N ASN A 87 17.086 4.676 3.007 1.00 0.00 N ATOM 1163 CA ASN A 87 15.945 4.960 2.171 1.00 0.00 C ATOM 1164 C ASN A 87 15.146 3.707 1.918 1.00 0.00 C ATOM 1165 O ASN A 87 13.924 3.746 1.865 1.00 0.00 O ATOM 1166 CB ASN A 87 16.368 5.651 0.856 1.00 0.00 C ATOM 1167 CG ASN A 87 15.243 5.727 -0.173 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.387 6.603 -0.116 1.00 0.00 O ATOM 1169 ND2 ASN A 87 15.290 4.860 -1.163 1.00 0.00 N ATOM 0 H ASN A 87 17.970 4.669 2.498 1.00 0.00 H new ATOM 0 HA ASN A 87 15.300 5.660 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.716 6.660 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.211 5.111 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.601 4.905 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.016 4.144 -1.180 1.00 0.00 H new ATOM 1176 N PHE A 88 15.832 2.579 1.804 1.00 0.00 N ATOM 1177 CA PHE A 88 15.154 1.318 1.584 1.00 0.00 C ATOM 1178 C PHE A 88 14.419 0.961 2.814 1.00 0.00 C ATOM 1179 O PHE A 88 13.269 0.613 2.749 1.00 0.00 O ATOM 1180 CB PHE A 88 16.099 0.169 1.214 1.00 0.00 C ATOM 1181 CG PHE A 88 17.060 0.485 0.131 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.736 1.362 -0.892 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.312 -0.067 0.157 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.655 1.683 -1.845 1.00 0.00 C ATOM 1185 CE2 PHE A 88 19.225 0.241 -0.799 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.900 1.120 -1.793 1.00 0.00 C ATOM 0 H PHE A 88 16.848 2.515 1.860 1.00 0.00 H new ATOM 0 HA PHE A 88 14.484 1.456 0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.657 -0.125 2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.502 -0.692 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.747 1.794 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.576 -0.755 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.403 2.376 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 88 20.207 -0.208 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.633 1.373 -2.545 1.00 0.00 H new ATOM 1196 N GLU A 89 15.077 1.111 3.955 1.00 0.00 N ATOM 1197 CA GLU A 89 14.457 0.830 5.212 1.00 0.00 C ATOM 1198 C GLU A 89 13.387 1.845 5.463 1.00 0.00 C ATOM 1199 O GLU A 89 12.352 1.526 6.051 1.00 0.00 O ATOM 1200 CB GLU A 89 15.453 0.781 6.373 1.00 0.00 C ATOM 1201 CG GLU A 89 16.519 -0.288 6.218 1.00 0.00 C ATOM 1202 CD GLU A 89 17.336 -0.487 7.468 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.233 0.326 7.762 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.092 -1.480 8.183 1.00 0.00 O ATOM 0 H GLU A 89 16.044 1.428 4.020 1.00 0.00 H new ATOM 0 HA GLU A 89 14.020 -0.167 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.937 1.753 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.908 0.606 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.044 -1.231 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.182 -0.017 5.396 1.00 0.00 H new ATOM 1211 N ALA A 90 13.604 3.074 4.970 1.00 0.00 N ATOM 1212 CA ALA A 90 12.600 4.113 5.190 1.00 0.00 C ATOM 1213 C ALA A 90 11.337 3.766 4.425 1.00 0.00 C ATOM 1214 O ALA A 90 10.219 3.824 4.959 1.00 0.00 O ATOM 1215 CB ALA A 90 13.101 5.495 4.787 1.00 0.00 C ATOM 0 H ALA A 90 14.428 3.360 4.441 1.00 0.00 H new ATOM 0 HA ALA A 90 12.387 4.151 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.320 6.233 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.983 5.748 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.359 5.494 3.728 1.00 0.00 H new ATOM 1221 N ALA A 91 11.524 3.349 3.202 1.00 0.00 N ATOM 1222 CA ALA A 91 10.439 2.967 2.351 1.00 0.00 C ATOM 1223 C ALA A 91 9.791 1.690 2.838 1.00 0.00 C ATOM 1224 O ALA A 91 8.586 1.626 2.924 1.00 0.00 O ATOM 1225 CB ALA A 91 10.903 2.859 0.915 1.00 0.00 C ATOM 0 H ALA A 91 12.443 3.266 2.768 1.00 0.00 H new ATOM 0 HA ALA A 91 9.676 3.744 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.064 2.568 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.289 3.823 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.690 2.108 0.842 1.00 0.00 H new ATOM 1231 N LEU A 92 10.592 0.708 3.220 1.00 0.00 N ATOM 1232 CA LEU A 92 10.075 -0.566 3.733 1.00 0.00 C ATOM 1233 C LEU A 92 9.175 -0.337 4.913 1.00 0.00 C ATOM 1234 O LEU A 92 8.110 -0.923 4.998 1.00 0.00 O ATOM 1235 CB LEU A 92 11.194 -1.543 4.138 1.00 0.00 C ATOM 1236 CG LEU A 92 12.087 -2.088 3.025 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.171 -2.971 3.608 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.274 -2.865 2.018 1.00 0.00 C ATOM 0 H LEU A 92 11.610 0.763 3.187 1.00 0.00 H new ATOM 0 HA LEU A 92 9.514 -1.018 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.831 -1.042 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.734 -2.390 4.646 1.00 0.00 H new ATOM 0 HG LEU A 92 12.552 -1.243 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.800 -3.353 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.780 -2.390 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.714 -3.806 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.931 -3.244 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.782 -3.701 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.521 -2.212 1.576 1.00 0.00 H new ATOM 1250 N ALA A 93 9.572 0.564 5.786 1.00 0.00 N ATOM 1251 CA ALA A 93 8.794 0.852 6.957 1.00 0.00 C ATOM 1252 C ALA A 93 7.539 1.591 6.601 1.00 0.00 C ATOM 1253 O ALA A 93 6.490 1.353 7.205 1.00 0.00 O ATOM 1254 CB ALA A 93 9.600 1.584 8.014 1.00 0.00 C ATOM 0 H ALA A 93 10.431 1.107 5.701 1.00 0.00 H new ATOM 0 HA ALA A 93 8.503 -0.102 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.969 1.780 8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.449 0.970 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.961 2.528 7.607 1.00 0.00 H new ATOM 1260 N THR A 94 7.622 2.419 5.575 1.00 0.00 N ATOM 1261 CA THR A 94 6.498 3.178 5.150 1.00 0.00 C ATOM 1262 C THR A 94 5.468 2.225 4.544 1.00 0.00 C ATOM 1263 O THR A 94 4.289 2.196 4.953 1.00 0.00 O ATOM 1264 CB THR A 94 6.922 4.272 4.133 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.924 5.115 4.738 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.733 5.135 3.720 1.00 0.00 C ATOM 0 H THR A 94 8.470 2.572 5.028 1.00 0.00 H new ATOM 0 HA THR A 94 6.056 3.692 6.003 1.00 0.00 H new ATOM 0 HB THR A 94 7.317 3.780 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.814 4.746 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.062 5.891 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.971 4.508 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.315 5.623 4.600 1.00 0.00 H new ATOM 1274 N GLY A 95 5.961 1.378 3.660 1.00 0.00 N ATOM 1275 CA GLY A 95 5.144 0.439 2.976 1.00 0.00 C ATOM 1276 C GLY A 95 4.545 -0.569 3.896 1.00 0.00 C ATOM 1277 O GLY A 95 3.378 -0.823 3.826 1.00 0.00 O ATOM 0 H GLY A 95 6.948 1.335 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.347 0.968 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.738 -0.072 2.219 1.00 0.00 H new ATOM 1281 N ASP A 96 5.350 -1.106 4.790 1.00 0.00 N ATOM 1282 CA ASP A 96 4.903 -2.137 5.731 1.00 0.00 C ATOM 1283 C ASP A 96 3.775 -1.658 6.622 1.00 0.00 C ATOM 1284 O ASP A 96 2.764 -2.346 6.766 1.00 0.00 O ATOM 1285 CB ASP A 96 6.069 -2.652 6.579 1.00 0.00 C ATOM 1286 CG ASP A 96 5.666 -3.700 7.599 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.385 -4.844 7.212 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.698 -3.405 8.811 1.00 0.00 O ATOM 0 H ASP A 96 6.331 -0.847 4.892 1.00 0.00 H new ATOM 0 HA ASP A 96 4.515 -2.959 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.828 -3.073 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.528 -1.811 7.098 1.00 0.00 H new ATOM 1293 N LEU A 97 3.898 -0.451 7.157 1.00 0.00 N ATOM 1294 CA LEU A 97 2.885 0.048 8.086 1.00 0.00 C ATOM 1295 C LEU A 97 1.558 0.231 7.362 1.00 0.00 C ATOM 1296 O LEU A 97 0.516 -0.214 7.846 1.00 0.00 O ATOM 1297 CB LEU A 97 3.332 1.359 8.791 1.00 0.00 C ATOM 1298 CG LEU A 97 3.198 2.671 7.996 1.00 0.00 C ATOM 1299 CD1 LEU A 97 1.914 3.422 8.344 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.397 3.538 8.169 1.00 0.00 C ATOM 0 H LEU A 97 4.669 0.191 6.972 1.00 0.00 H new ATOM 0 HA LEU A 97 2.755 -0.696 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.755 1.461 9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.376 1.246 9.082 1.00 0.00 H new ATOM 0 HG LEU A 97 3.135 2.400 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.860 4.341 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.052 2.795 8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.912 3.666 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.269 4.455 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.519 3.785 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.282 3.009 7.816 1.00 0.00 H new ATOM 1312 N LEU A 98 1.604 0.853 6.187 1.00 0.00 N ATOM 1313 CA LEU A 98 0.403 1.080 5.417 1.00 0.00 C ATOM 1314 C LEU A 98 -0.110 -0.214 4.844 1.00 0.00 C ATOM 1315 O LEU A 98 -1.263 -0.334 4.577 1.00 0.00 O ATOM 1316 CB LEU A 98 0.593 2.157 4.337 1.00 0.00 C ATOM 1317 CG LEU A 98 1.594 1.828 3.241 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.983 0.981 2.130 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.279 3.065 2.695 1.00 0.00 C ATOM 0 H LEU A 98 2.459 1.204 5.756 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.355 1.470 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.374 2.353 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.906 3.081 4.823 1.00 0.00 H new ATOM 0 HG LEU A 98 2.368 1.220 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.739 0.774 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.620 0.041 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.153 1.521 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.984 2.776 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.532 3.740 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.814 3.569 3.499 1.00 0.00 H new ATOM 1331 N LEU A 99 0.784 -1.176 4.627 1.00 0.00 N ATOM 1332 CA LEU A 99 0.406 -2.445 4.052 1.00 0.00 C ATOM 1333 C LEU A 99 -0.434 -3.171 5.072 1.00 0.00 C ATOM 1334 O LEU A 99 -1.482 -3.753 4.755 1.00 0.00 O ATOM 1335 CB LEU A 99 1.656 -3.264 3.630 1.00 0.00 C ATOM 1336 CG LEU A 99 1.472 -4.487 2.693 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.829 -4.944 2.192 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.783 -5.657 3.389 1.00 0.00 C ATOM 0 H LEU A 99 1.777 -1.091 4.845 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.173 -2.298 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.350 -2.578 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.141 -3.617 4.540 1.00 0.00 H new ATOM 0 HG LEU A 99 0.836 -4.170 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.703 -5.803 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.306 -4.132 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.454 -5.225 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.679 -6.486 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.381 -5.976 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.204 -5.346 3.733 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.002 -3.088 6.315 1.00 0.00 N ATOM 1351 CA LYS A 100 -0.753 -3.637 7.390 1.00 0.00 C ATOM 1352 C LYS A 100 -2.017 -2.837 7.574 1.00 0.00 C ATOM 1353 O LYS A 100 -3.065 -3.395 7.905 1.00 0.00 O ATOM 1354 CB LYS A 100 0.046 -3.742 8.703 1.00 0.00 C ATOM 1355 CG LYS A 100 0.892 -5.019 8.860 1.00 0.00 C ATOM 1356 CD LYS A 100 1.979 -5.166 7.808 1.00 0.00 C ATOM 1357 CE LYS A 100 2.801 -6.432 8.019 1.00 0.00 C ATOM 1358 NZ LYS A 100 2.007 -7.662 7.830 1.00 0.00 N ATOM 0 H LYS A 100 0.872 -2.640 6.591 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.005 -4.664 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.706 -2.878 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.651 -3.683 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.353 -5.020 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.235 -5.887 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.526 -5.188 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.636 -4.296 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.641 -6.436 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.220 -6.425 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.640 -8.488 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.317 -7.752 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.505 -7.615 6.921 1.00 0.00 H new ATOM 1372 N ASP A 101 -1.941 -1.531 7.300 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.113 -0.674 7.468 1.00 0.00 C ATOM 1374 C ASP A 101 -4.160 -0.993 6.393 1.00 0.00 C ATOM 1375 O ASP A 101 -5.366 -1.032 6.660 1.00 0.00 O ATOM 1376 CB ASP A 101 -2.739 0.812 7.433 1.00 0.00 C ATOM 1377 CG ASP A 101 -3.923 1.706 7.705 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.326 1.831 8.883 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.484 2.279 6.770 1.00 0.00 O ATOM 0 H ASP A 101 -1.102 -1.055 6.969 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.539 -0.879 8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.962 1.006 8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.319 1.056 6.457 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.657 -1.280 5.209 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.420 -1.644 4.028 1.00 0.00 C ATOM 1386 C LEU A 102 -5.208 -2.917 4.312 1.00 0.00 C ATOM 1387 O LEU A 102 -6.412 -2.988 4.078 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.431 -1.878 2.871 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.991 -2.102 1.463 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -4.652 -0.844 0.926 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -2.883 -2.539 0.534 1.00 0.00 C ATOM 0 H LEU A 102 -2.652 -1.265 5.034 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.119 -0.852 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.762 -1.019 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.821 -2.745 3.127 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.749 -2.884 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.039 -1.035 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.472 -0.555 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.920 -0.038 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.287 -2.697 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.114 -1.767 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.447 -3.469 0.900 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.528 -3.906 4.853 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.171 -5.155 5.206 1.00 0.00 C ATOM 1405 C LYS A 103 -6.129 -5.003 6.380 1.00 0.00 C ATOM 1406 O LYS A 103 -7.171 -5.630 6.403 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.154 -6.279 5.428 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.543 -6.816 4.138 1.00 0.00 C ATOM 1409 CD LYS A 103 -4.596 -7.554 3.310 1.00 0.00 C ATOM 1410 CE LYS A 103 -4.082 -7.977 1.942 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.923 -8.892 2.001 1.00 0.00 N ATOM 0 H LYS A 103 -3.530 -3.870 5.058 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.780 -5.446 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.355 -5.912 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.641 -7.098 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.126 -5.993 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.719 -7.490 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.928 -8.436 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.467 -6.911 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.890 -8.462 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.803 -7.087 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.594 -9.098 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.155 -8.445 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.204 -9.778 2.468 1.00 0.00 H new ATOM 1425 N ALA A 104 -5.813 -4.121 7.309 1.00 0.00 N ATOM 1426 CA ALA A 104 -6.675 -3.907 8.457 1.00 0.00 C ATOM 1427 C ALA A 104 -7.972 -3.264 8.004 1.00 0.00 C ATOM 1428 O ALA A 104 -9.079 -3.628 8.467 1.00 0.00 O ATOM 1429 CB ALA A 104 -5.983 -3.045 9.503 1.00 0.00 C ATOM 0 H ALA A 104 -4.972 -3.544 7.293 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.896 -4.870 8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.649 -2.899 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.071 -3.540 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.732 -2.077 9.069 1.00 0.00 H new ATOM 1435 N LEU A 105 -7.854 -2.342 7.054 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.002 -1.672 6.537 1.00 0.00 C ATOM 1437 C LEU A 105 -9.796 -2.653 5.723 1.00 0.00 C ATOM 1438 O LEU A 105 -10.973 -2.567 5.681 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.685 -0.371 5.755 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.354 -0.493 4.261 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.606 -0.331 3.395 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.275 0.487 3.851 1.00 0.00 C ATOM 0 H LEU A 105 -6.968 -2.054 6.638 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.595 -1.321 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.541 0.296 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.843 0.117 6.245 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.967 -1.498 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.335 -0.423 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.329 -1.105 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.046 0.650 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.065 0.373 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.614 1.504 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.368 0.290 4.423 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.109 -3.585 5.067 1.00 0.00 N ATOM 1455 CA GLN A 106 -9.766 -4.614 4.282 1.00 0.00 C ATOM 1456 C GLN A 106 -10.716 -5.429 5.124 1.00 0.00 C ATOM 1457 O GLN A 106 -11.837 -5.590 4.744 1.00 0.00 O ATOM 1458 CB GLN A 106 -8.756 -5.530 3.586 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.378 -6.796 3.025 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.374 -7.745 2.435 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -8.201 -7.676 1.153 1.00 0.00 O flip ATOM 1462 NE2 GLN A 106 -7.800 -8.583 3.134 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.091 -3.644 5.067 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.343 -4.101 3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.276 -4.980 2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.974 -5.801 4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.925 -7.305 3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.105 -6.526 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.963 -8.605 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.162 -9.254 2.706 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.283 -5.879 6.278 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.169 -6.659 7.159 1.00 0.00 C ATOM 1473 C LYS A 107 -12.320 -5.794 7.674 1.00 0.00 C ATOM 1474 O LYS A 107 -13.455 -6.269 7.859 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.416 -7.354 8.318 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.609 -8.609 7.922 1.00 0.00 C ATOM 1477 CD LYS A 107 -8.442 -8.295 6.999 1.00 0.00 C ATOM 1478 CE LYS A 107 -7.664 -9.537 6.585 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.465 -10.459 5.751 1.00 0.00 N ATOM 0 H LYS A 107 -9.341 -5.730 6.639 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.586 -7.463 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.736 -6.633 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.140 -7.634 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.233 -9.092 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.272 -9.321 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.816 -7.792 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.767 -7.599 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.773 -9.236 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.324 -10.063 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.830 -11.034 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.027 -11.083 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.102 -9.909 5.140 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.020 -4.527 7.850 1.00 0.00 N ATOM 1494 CA ARG A 108 -12.960 -3.519 8.287 1.00 0.00 C ATOM 1495 C ARG A 108 -14.018 -3.311 7.212 1.00 0.00 C ATOM 1496 O ARG A 108 -15.202 -3.359 7.481 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.174 -2.234 8.546 1.00 0.00 C ATOM 1498 CG ARG A 108 -12.976 -0.969 8.766 1.00 0.00 C ATOM 1499 CD ARG A 108 -12.024 0.209 8.932 1.00 0.00 C ATOM 1500 NE ARG A 108 -12.713 1.497 8.915 1.00 0.00 N ATOM 1501 CZ ARG A 108 -12.117 2.692 8.834 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.798 2.792 8.916 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -12.847 3.793 8.718 1.00 0.00 N ATOM 0 H ARG A 108 -11.083 -4.157 7.687 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.471 -3.824 9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.545 -2.393 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.507 -2.069 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.643 -0.796 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.603 -1.072 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.482 0.104 9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.283 0.187 8.133 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.731 1.484 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.230 1.954 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.351 3.707 8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.865 3.730 8.690 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.391 4.703 8.656 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.564 -3.116 6.000 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.422 -2.898 4.856 1.00 0.00 C ATOM 1519 C VAL A 109 -15.176 -4.182 4.455 1.00 0.00 C ATOM 1520 O VAL A 109 -16.331 -4.144 4.002 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.662 -2.252 3.672 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.573 -2.037 2.477 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.078 -0.921 4.109 1.00 0.00 C ATOM 0 H VAL A 109 -12.570 -3.104 5.773 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.182 -2.175 5.155 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.864 -2.931 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.006 -1.582 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.973 -2.996 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.394 -1.379 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.543 -0.467 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.882 -0.258 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.389 -1.081 4.938 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.490 -5.299 4.571 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.041 -6.614 4.326 1.00 0.00 C ATOM 1535 C GLN A 110 -16.258 -6.817 5.200 1.00 0.00 C ATOM 1536 O GLN A 110 -17.255 -7.396 4.764 1.00 0.00 O ATOM 1537 CB GLN A 110 -13.976 -7.673 4.627 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.420 -9.112 4.515 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.941 -9.490 3.140 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -14.537 -8.930 2.111 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -15.824 -10.436 3.106 1.00 0.00 N ATOM 0 H GLN A 110 -13.508 -5.318 4.846 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.341 -6.706 3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.137 -7.519 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.603 -7.507 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.581 -9.761 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.200 -9.300 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.134 -10.875 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.209 -10.742 2.213 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.194 -6.327 6.428 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.351 -6.418 7.267 1.00 0.00 C ATOM 1552 C ASP A 111 -18.316 -5.274 6.957 1.00 0.00 C ATOM 1553 O ASP A 111 -19.513 -5.490 6.780 1.00 0.00 O ATOM 1554 CB ASP A 111 -17.008 -6.485 8.748 1.00 0.00 C ATOM 1555 CG ASP A 111 -18.241 -6.684 9.605 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -18.968 -7.683 9.394 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.472 -5.892 10.531 1.00 0.00 O ATOM 0 H ASP A 111 -15.378 -5.879 6.844 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.845 -7.363 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.309 -7.303 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.503 -5.566 9.046 1.00 0.00 H new ATOM 1562 N SER A 112 -17.766 -4.061 6.909 1.00 0.00 N ATOM 1563 CA SER A 112 -18.430 -2.812 6.473 1.00 0.00 C ATOM 1564 C SER A 112 -19.471 -2.266 7.462 1.00 0.00 C ATOM 1565 O SER A 112 -19.652 -1.041 7.548 1.00 0.00 O ATOM 1566 CB SER A 112 -19.051 -2.980 5.071 1.00 0.00 C ATOM 1567 OG SER A 112 -19.479 -1.745 4.513 1.00 0.00 O ATOM 0 H SER A 112 -16.797 -3.905 7.185 1.00 0.00 H new ATOM 0 HA SER A 112 -17.638 -2.064 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.320 -3.441 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.900 -3.661 5.133 1.00 0.00 H new ATOM 0 HG SER A 112 -20.004 -1.916 3.703 1.00 0.00 H new