USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 387 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 Single : A 8 GLN : amide:sc= -0.0879 K(o=-0.088,f=-1.2!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 126:sc= 0.00766 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -100:sc= 0.0316 USER MOD Single : A 39 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.2) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -3.38! C(o=-4.5!,f=-3.4!) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.366 F(o=-1.6,f=-0.37) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 123:sc= 1.04 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 8.917 -2.222 -5.044 1.00 0.00 N ATOM 67 CA GLN A 8 9.141 -1.374 -3.879 1.00 0.00 C ATOM 68 C GLN A 8 8.248 -1.795 -2.718 1.00 0.00 C ATOM 69 O GLN A 8 7.024 -1.677 -2.788 1.00 0.00 O ATOM 70 CB GLN A 8 8.882 0.092 -4.232 1.00 0.00 C ATOM 71 CG GLN A 8 10.015 0.740 -5.012 1.00 0.00 C ATOM 72 CD GLN A 8 9.558 1.941 -5.816 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.429 1.980 -6.307 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.434 2.929 -5.955 1.00 0.00 N ATOM 0 HA GLN A 8 10.181 -1.489 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.965 0.160 -4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.717 0.654 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.798 1.048 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.456 0.004 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.359 2.854 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.182 3.763 -6.486 1.00 0.00 H new ATOM 83 N TYR A 9 8.866 -2.287 -1.650 1.00 0.00 N ATOM 84 CA TYR A 9 8.127 -2.729 -0.474 1.00 0.00 C ATOM 85 C TYR A 9 8.182 -1.679 0.631 1.00 0.00 C ATOM 86 O TYR A 9 9.260 -1.284 1.075 1.00 0.00 O ATOM 87 CB TYR A 9 8.689 -4.056 0.040 1.00 0.00 C ATOM 88 CG TYR A 9 9.026 -5.037 -1.060 1.00 0.00 C ATOM 89 CD1 TYR A 9 8.082 -5.388 -2.018 1.00 0.00 C ATOM 90 CD2 TYR A 9 10.288 -5.613 -1.142 1.00 0.00 C ATOM 91 CE1 TYR A 9 8.385 -6.285 -3.024 1.00 0.00 C ATOM 92 CE2 TYR A 9 10.600 -6.510 -2.146 1.00 0.00 C ATOM 93 CZ TYR A 9 9.645 -6.843 -3.084 1.00 0.00 C ATOM 94 OH TYR A 9 9.951 -7.736 -4.085 1.00 0.00 O ATOM 0 H TYR A 9 9.878 -2.390 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 9 7.086 -2.871 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.586 -3.858 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.963 -4.512 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.095 -4.952 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.038 -5.355 -0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.639 -6.548 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.586 -6.948 -2.196 1.00 0.00 H new ATOM 0 HH TYR A 9 10.879 -8.034 -3.985 1.00 0.00 H new ATOM 104 N PHE A 10 7.011 -1.230 1.071 1.00 0.00 N ATOM 105 CA PHE A 10 6.924 -0.225 2.123 1.00 0.00 C ATOM 106 C PHE A 10 6.218 -0.786 3.354 1.00 0.00 C ATOM 107 O PHE A 10 5.441 -1.737 3.259 1.00 0.00 O ATOM 108 CB PHE A 10 6.181 1.013 1.616 1.00 0.00 C ATOM 109 CG PHE A 10 7.058 1.969 0.859 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.522 1.650 -0.407 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.418 3.187 1.413 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.328 2.528 -1.107 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.223 4.069 0.718 1.00 0.00 C ATOM 114 CZ PHE A 10 8.680 3.738 -0.543 1.00 0.00 C ATOM 0 H PHE A 10 6.109 -1.547 0.715 1.00 0.00 H new ATOM 0 HA PHE A 10 7.938 0.058 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.361 0.696 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.737 1.534 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.251 0.704 -0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.065 3.450 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.682 2.268 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.495 5.016 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.312 4.425 -1.087 1.00 0.00 H new ATOM 124 N VAL A 11 6.494 -0.191 4.510 1.00 0.00 N ATOM 125 CA VAL A 11 5.886 -0.630 5.761 1.00 0.00 C ATOM 126 C VAL A 11 5.043 0.479 6.381 1.00 0.00 C ATOM 127 O VAL A 11 5.441 1.643 6.390 1.00 0.00 O ATOM 128 CB VAL A 11 6.953 -1.079 6.777 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.855 0.086 7.154 1.00 0.00 C ATOM 130 CG2 VAL A 11 6.295 -1.676 8.011 1.00 0.00 C ATOM 0 H VAL A 11 7.135 0.597 4.606 1.00 0.00 H new ATOM 0 HA VAL A 11 5.245 -1.478 5.521 1.00 0.00 H new ATOM 0 HB VAL A 11 7.570 -1.849 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.602 -0.250 7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.354 0.464 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.256 0.881 7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.064 -1.988 8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.653 -0.929 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.696 -2.540 7.722 1.00 0.00 H new ATOM 140 N ALA A 12 3.878 0.108 6.901 1.00 0.00 N ATOM 141 CA ALA A 12 2.979 1.071 7.526 1.00 0.00 C ATOM 142 C ALA A 12 3.416 1.382 8.954 1.00 0.00 C ATOM 143 O ALA A 12 3.343 0.525 9.836 1.00 0.00 O ATOM 144 CB ALA A 12 1.551 0.548 7.511 1.00 0.00 C ATOM 0 H ALA A 12 3.534 -0.852 6.902 1.00 0.00 H new ATOM 0 HA ALA A 12 3.021 1.996 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.891 1.278 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.235 0.383 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.502 -0.392 8.060 1.00 0.00 H new ATOM 150 N LEU A 13 3.870 2.610 9.175 1.00 0.00 N ATOM 151 CA LEU A 13 4.319 3.034 10.496 1.00 0.00 C ATOM 152 C LEU A 13 3.135 3.227 11.438 1.00 0.00 C ATOM 153 O LEU A 13 3.231 2.960 12.636 1.00 0.00 O ATOM 154 CB LEU A 13 5.120 4.333 10.392 1.00 0.00 C ATOM 155 CG LEU A 13 6.105 4.423 9.227 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.279 5.868 8.784 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.446 3.817 9.614 1.00 0.00 C ATOM 0 H LEU A 13 3.937 3.330 8.456 1.00 0.00 H new ATOM 0 HA LEU A 13 4.959 2.251 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.418 5.163 10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.674 4.470 11.321 1.00 0.00 H new ATOM 0 HG LEU A 13 5.700 3.855 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.984 5.912 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.317 6.269 8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.661 6.460 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.135 3.890 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.857 4.357 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.308 2.769 9.880 1.00 0.00 H new ATOM 169 N PHE A 14 2.017 3.690 10.888 1.00 0.00 N ATOM 170 CA PHE A 14 0.813 3.917 11.678 1.00 0.00 C ATOM 171 C PHE A 14 -0.408 3.309 10.996 1.00 0.00 C ATOM 172 O PHE A 14 -0.341 2.886 9.841 1.00 0.00 O ATOM 173 CB PHE A 14 0.596 5.416 11.896 1.00 0.00 C ATOM 174 CG PHE A 14 1.865 6.172 12.171 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.673 6.597 11.129 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.249 6.458 13.471 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.842 7.291 11.379 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.416 7.153 13.728 1.00 0.00 C ATOM 179 CZ PHE A 14 4.213 7.571 12.680 1.00 0.00 C ATOM 0 H PHE A 14 1.920 3.915 9.898 1.00 0.00 H new ATOM 0 HA PHE A 14 0.946 3.431 12.645 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.115 5.838 11.013 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.090 5.558 12.731 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.386 6.384 10.110 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.629 6.134 14.294 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.465 7.614 10.558 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.704 7.369 14.746 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.124 8.116 12.877 1.00 0.00 H new ATOM 189 N ASP A 15 -1.523 3.269 11.717 1.00 0.00 N ATOM 190 CA ASP A 15 -2.761 2.713 11.182 1.00 0.00 C ATOM 191 C ASP A 15 -3.587 3.793 10.492 1.00 0.00 C ATOM 192 O ASP A 15 -3.681 4.922 10.976 1.00 0.00 O ATOM 193 CB ASP A 15 -3.578 2.064 12.300 1.00 0.00 C ATOM 194 CG ASP A 15 -3.702 2.956 13.520 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.770 4.191 13.347 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.729 2.419 14.648 1.00 0.00 O ATOM 0 H ASP A 15 -1.595 3.615 12.674 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.501 1.953 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.573 1.824 11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.110 1.122 12.588 1.00 0.00 H new ATOM 201 N TYR A 16 -4.184 3.441 9.359 1.00 0.00 N ATOM 202 CA TYR A 16 -5.000 4.381 8.600 1.00 0.00 C ATOM 203 C TYR A 16 -6.329 3.748 8.198 1.00 0.00 C ATOM 204 O TYR A 16 -6.406 2.543 7.957 1.00 0.00 O ATOM 205 CB TYR A 16 -4.248 4.850 7.353 1.00 0.00 C ATOM 206 CG TYR A 16 -5.134 5.523 6.329 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.512 6.852 6.475 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.592 4.831 5.215 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.322 7.471 5.543 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.401 5.442 4.277 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.764 6.762 4.445 1.00 0.00 C ATOM 212 OH TYR A 16 -7.569 7.375 3.513 1.00 0.00 O ATOM 0 H TYR A 16 -4.118 2.511 8.946 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.206 5.241 9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.462 5.543 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.758 3.993 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.166 7.411 7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.311 3.797 5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.608 8.504 5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.748 4.889 3.416 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.170 7.279 2.623 1.00 0.00 H new ATOM 222 N GLN A 17 -7.371 4.569 8.127 1.00 0.00 N ATOM 223 CA GLN A 17 -8.697 4.091 7.754 1.00 0.00 C ATOM 224 C GLN A 17 -9.163 4.737 6.454 1.00 0.00 C ATOM 225 O GLN A 17 -9.613 5.883 6.446 1.00 0.00 O ATOM 226 CB GLN A 17 -9.700 4.382 8.872 1.00 0.00 C ATOM 227 CG GLN A 17 -9.793 3.275 9.910 1.00 0.00 C ATOM 228 CD GLN A 17 -10.811 3.575 10.993 1.00 0.00 C ATOM 229 OE1 GLN A 17 -11.956 3.923 10.705 1.00 0.00 O ATOM 230 NE2 GLN A 17 -10.398 3.440 12.247 1.00 0.00 N ATOM 0 H GLN A 17 -7.323 5.569 8.323 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.638 3.013 7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.419 5.311 9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.685 4.540 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.058 2.340 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.815 3.127 10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.440 3.149 12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.039 3.627 13.018 1.00 0.00 H new ATOM 312 N ASP A 23 -9.343 4.845 -1.820 1.00 0.00 N ATOM 313 CA ASP A 23 -8.209 4.671 -0.919 1.00 0.00 C ATOM 314 C ASP A 23 -8.173 3.253 -0.358 1.00 0.00 C ATOM 315 O ASP A 23 -9.165 2.526 -0.417 1.00 0.00 O ATOM 316 CB ASP A 23 -8.279 5.684 0.224 1.00 0.00 C ATOM 317 CG ASP A 23 -7.579 6.986 -0.112 1.00 0.00 C ATOM 318 OD1 ASP A 23 -8.155 7.791 -0.873 1.00 0.00 O ATOM 319 OD2 ASP A 23 -6.454 7.200 0.387 1.00 0.00 O ATOM 0 HA ASP A 23 -7.295 4.840 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.323 5.887 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.827 5.252 1.117 1.00 0.00 H new ATOM 324 N LEU A 24 -7.024 2.866 0.185 1.00 0.00 N ATOM 325 CA LEU A 24 -6.858 1.535 0.756 1.00 0.00 C ATOM 326 C LEU A 24 -6.633 1.613 2.263 1.00 0.00 C ATOM 327 O LEU A 24 -6.005 2.547 2.759 1.00 0.00 O ATOM 328 CB LEU A 24 -5.684 0.815 0.091 1.00 0.00 C ATOM 329 CG LEU A 24 -5.390 -0.598 0.594 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.286 -1.610 -0.104 1.00 0.00 C ATOM 331 CD2 LEU A 24 -3.924 -0.946 0.382 1.00 0.00 C ATOM 0 H LEU A 24 -6.194 3.456 0.242 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.773 0.972 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.875 0.765 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.788 1.421 0.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.600 -0.633 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.063 -2.610 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.330 -1.373 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.108 -1.573 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.733 -1.956 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.687 -0.893 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.300 -0.239 0.929 1.00 0.00 H new ATOM 343 N SER A 25 -7.150 0.623 2.985 1.00 0.00 N ATOM 344 CA SER A 25 -7.007 0.581 4.436 1.00 0.00 C ATOM 345 C SER A 25 -5.830 -0.303 4.840 1.00 0.00 C ATOM 346 O SER A 25 -5.617 -1.372 4.269 1.00 0.00 O ATOM 347 CB SER A 25 -8.294 0.062 5.081 1.00 0.00 C ATOM 348 OG SER A 25 -8.878 -0.965 4.300 1.00 0.00 O ATOM 0 H SER A 25 -7.671 -0.160 2.589 1.00 0.00 H new ATOM 0 HA SER A 25 -6.816 1.595 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.077 -0.316 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.002 0.882 5.197 1.00 0.00 H new ATOM 0 HG SER A 25 -9.698 -1.281 4.735 1.00 0.00 H new ATOM 354 N PHE A 26 -5.069 0.153 5.829 1.00 0.00 N ATOM 355 CA PHE A 26 -3.913 -0.594 6.311 1.00 0.00 C ATOM 356 C PHE A 26 -3.627 -0.270 7.774 1.00 0.00 C ATOM 357 O PHE A 26 -4.088 0.744 8.298 1.00 0.00 O ATOM 358 CB PHE A 26 -2.683 -0.277 5.457 1.00 0.00 C ATOM 359 CG PHE A 26 -2.381 1.192 5.363 1.00 0.00 C ATOM 360 CD1 PHE A 26 -1.591 1.813 6.316 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.887 1.950 4.320 1.00 0.00 C ATOM 362 CE1 PHE A 26 -1.313 3.164 6.232 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.612 3.302 4.230 1.00 0.00 C ATOM 364 CZ PHE A 26 -1.823 3.909 5.187 1.00 0.00 C ATOM 0 H PHE A 26 -5.232 1.036 6.312 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.139 -1.657 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.818 -0.792 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.835 -0.673 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.188 1.235 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.503 1.480 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.697 3.637 6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.014 3.882 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.605 4.965 5.118 1.00 0.00 H new ATOM 374 N ARG A 27 -2.865 -1.140 8.428 1.00 0.00 N ATOM 375 CA ARG A 27 -2.519 -0.949 9.832 1.00 0.00 C ATOM 376 C ARG A 27 -1.005 -0.891 10.015 1.00 0.00 C ATOM 377 O ARG A 27 -0.246 -1.207 9.100 1.00 0.00 O ATOM 378 CB ARG A 27 -3.103 -2.079 10.682 1.00 0.00 C ATOM 379 CG ARG A 27 -4.617 -2.027 10.806 1.00 0.00 C ATOM 380 CD ARG A 27 -5.094 -2.694 12.086 1.00 0.00 C ATOM 381 NE ARG A 27 -6.468 -2.326 12.416 1.00 0.00 N ATOM 382 CZ ARG A 27 -7.152 -2.862 13.422 1.00 0.00 C ATOM 383 NH1 ARG A 27 -6.591 -3.785 14.191 1.00 0.00 N ATOM 384 NH2 ARG A 27 -8.398 -2.475 13.659 1.00 0.00 N ATOM 0 H ARG A 27 -2.475 -1.984 8.009 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.945 -0.000 10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.815 -3.036 10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.664 -2.037 11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.949 -0.989 10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.071 -2.520 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.025 -3.776 11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.436 -2.413 12.908 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.928 -1.619 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.633 -4.085 14.011 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.118 -4.195 14.962 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.833 -1.765 13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.922 -2.887 14.431 1.00 0.00 H new ATOM 398 N ALA A 28 -0.574 -0.483 11.205 1.00 0.00 N ATOM 399 CA ALA A 28 0.848 -0.385 11.509 1.00 0.00 C ATOM 400 C ALA A 28 1.533 -1.741 11.376 1.00 0.00 C ATOM 401 O ALA A 28 1.316 -2.640 12.187 1.00 0.00 O ATOM 402 CB ALA A 28 1.051 0.176 12.909 1.00 0.00 C ATOM 0 H ALA A 28 -1.189 -0.215 11.973 1.00 0.00 H new ATOM 0 HA ALA A 28 1.302 0.294 10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.118 0.244 13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.605 1.168 12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.576 -0.482 13.637 1.00 0.00 H new ATOM 408 N GLY A 29 2.362 -1.881 10.346 1.00 0.00 N ATOM 409 CA GLY A 29 3.066 -3.131 10.125 1.00 0.00 C ATOM 410 C GLY A 29 2.406 -3.988 9.063 1.00 0.00 C ATOM 411 O GLY A 29 2.391 -5.214 9.166 1.00 0.00 O ATOM 0 H GLY A 29 2.559 -1.151 9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.093 -2.918 9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.112 -3.689 11.060 1.00 0.00 H new ATOM 415 N ASP A 30 1.859 -3.341 8.040 1.00 0.00 N ATOM 416 CA ASP A 30 1.194 -4.052 6.954 1.00 0.00 C ATOM 417 C ASP A 30 2.003 -3.953 5.664 1.00 0.00 C ATOM 418 O ASP A 30 2.142 -2.875 5.087 1.00 0.00 O ATOM 419 CB ASP A 30 -0.211 -3.490 6.733 1.00 0.00 C ATOM 420 CG ASP A 30 -1.189 -3.942 7.800 1.00 0.00 C ATOM 421 OD1 ASP A 30 -0.971 -3.610 8.983 1.00 0.00 O ATOM 422 OD2 ASP A 30 -2.173 -4.629 7.451 1.00 0.00 O ATOM 0 H ASP A 30 1.863 -2.326 7.940 1.00 0.00 H new ATOM 0 HA ASP A 30 1.117 -5.103 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.166 -2.401 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.575 -3.803 5.754 1.00 0.00 H new ATOM 427 N LYS A 31 2.535 -5.086 5.217 1.00 0.00 N ATOM 428 CA LYS A 31 3.330 -5.129 3.996 1.00 0.00 C ATOM 429 C LYS A 31 2.519 -4.640 2.801 1.00 0.00 C ATOM 430 O LYS A 31 1.443 -5.166 2.511 1.00 0.00 O ATOM 431 CB LYS A 31 3.830 -6.552 3.738 1.00 0.00 C ATOM 432 CG LYS A 31 4.691 -7.107 4.860 1.00 0.00 C ATOM 433 CD LYS A 31 6.122 -6.605 4.765 1.00 0.00 C ATOM 434 CE LYS A 31 6.880 -6.832 6.064 1.00 0.00 C ATOM 435 NZ LYS A 31 6.704 -5.699 7.014 1.00 0.00 N ATOM 0 H LYS A 31 2.430 -5.987 5.683 1.00 0.00 H new ATOM 0 HA LYS A 31 4.186 -4.467 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.972 -7.208 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.404 -6.564 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.267 -6.819 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.683 -8.196 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.634 -7.116 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.120 -5.542 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.533 -7.754 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.940 -6.963 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.236 -5.892 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.058 -4.823 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.695 -5.590 7.241 1.00 0.00 H new ATOM 449 N LEU A 32 3.040 -3.632 2.110 1.00 0.00 N ATOM 450 CA LEU A 32 2.364 -3.073 0.945 1.00 0.00 C ATOM 451 C LEU A 32 3.368 -2.714 -0.147 1.00 0.00 C ATOM 452 O LEU A 32 4.337 -1.998 0.100 1.00 0.00 O ATOM 453 CB LEU A 32 1.561 -1.833 1.342 1.00 0.00 C ATOM 454 CG LEU A 32 0.457 -2.052 2.377 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.173 -0.764 3.135 1.00 0.00 C ATOM 456 CD2 LEU A 32 -0.808 -2.567 1.706 1.00 0.00 C ATOM 0 H LEU A 32 3.929 -3.185 2.337 1.00 0.00 H new ATOM 0 HA LEU A 32 1.683 -3.829 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.253 -1.086 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.110 -1.413 0.443 1.00 0.00 H new ATOM 0 HG LEU A 32 0.798 -2.802 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.615 -0.939 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.078 -0.436 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.147 0.007 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.583 -2.717 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.152 -1.840 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.597 -3.514 1.209 1.00 0.00 H new ATOM 468 N GLN A 33 3.126 -3.216 -1.354 1.00 0.00 N ATOM 469 CA GLN A 33 4.008 -2.947 -2.483 1.00 0.00 C ATOM 470 C GLN A 33 3.506 -1.756 -3.294 1.00 0.00 C ATOM 471 O GLN A 33 2.400 -1.781 -3.834 1.00 0.00 O ATOM 472 CB GLN A 33 4.114 -4.181 -3.380 1.00 0.00 C ATOM 473 CG GLN A 33 4.997 -3.973 -4.600 1.00 0.00 C ATOM 474 CD GLN A 33 4.720 -4.980 -5.699 1.00 0.00 C ATOM 475 OE1 GLN A 33 3.621 -5.525 -5.795 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.720 -5.232 -6.536 1.00 0.00 N ATOM 0 H GLN A 33 2.327 -3.811 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 33 4.996 -2.706 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.507 -5.012 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.115 -4.467 -3.709 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.843 -2.966 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.043 -4.044 -4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.615 -4.757 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.593 -5.901 -7.296 1.00 0.00 H new ATOM 485 N VAL A 34 4.327 -0.714 -3.375 1.00 0.00 N ATOM 486 CA VAL A 34 3.968 0.486 -4.121 1.00 0.00 C ATOM 487 C VAL A 34 4.035 0.240 -5.624 1.00 0.00 C ATOM 488 O VAL A 34 5.088 -0.104 -6.162 1.00 0.00 O ATOM 489 CB VAL A 34 4.890 1.666 -3.764 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.513 2.901 -4.569 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.833 1.954 -2.272 1.00 0.00 C ATOM 0 H VAL A 34 5.246 -0.677 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 34 2.945 0.737 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 34 5.914 1.394 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.175 3.725 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.611 2.686 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.482 3.179 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.491 2.791 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.811 2.205 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.156 1.072 -1.719 1.00 0.00 H new ATOM 501 N LEU A 35 2.904 0.418 -6.298 1.00 0.00 N ATOM 502 CA LEU A 35 2.833 0.216 -7.741 1.00 0.00 C ATOM 503 C LEU A 35 2.936 1.544 -8.483 1.00 0.00 C ATOM 504 O LEU A 35 3.801 1.723 -9.340 1.00 0.00 O ATOM 505 CB LEU A 35 1.528 -0.490 -8.114 1.00 0.00 C ATOM 506 CG LEU A 35 1.072 -1.601 -7.167 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.444 -1.725 -7.182 1.00 0.00 C ATOM 508 CD2 LEU A 35 1.721 -2.924 -7.546 1.00 0.00 C ATOM 0 H LEU A 35 2.024 0.702 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 35 3.675 -0.410 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.737 0.258 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.640 -0.914 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 35 1.385 -1.342 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.751 -2.520 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.889 -0.783 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.780 -1.961 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.385 -3.703 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.438 -3.189 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.805 -2.829 -7.483 1.00 0.00 H new ATOM 520 N ASP A 36 2.049 2.474 -8.146 1.00 0.00 N ATOM 521 CA ASP A 36 2.042 3.789 -8.778 1.00 0.00 C ATOM 522 C ASP A 36 2.667 4.835 -7.861 1.00 0.00 C ATOM 523 O ASP A 36 2.311 4.941 -6.687 1.00 0.00 O ATOM 524 CB ASP A 36 0.612 4.197 -9.138 1.00 0.00 C ATOM 525 CG ASP A 36 0.560 5.124 -10.336 1.00 0.00 C ATOM 526 OD1 ASP A 36 0.895 4.673 -11.452 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.184 6.302 -10.159 1.00 0.00 O ATOM 0 H ASP A 36 1.326 2.342 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 36 2.636 3.730 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.024 3.303 -9.348 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.151 4.688 -8.281 1.00 0.00 H new ATOM 532 N THR A 37 3.602 5.608 -8.405 1.00 0.00 N ATOM 533 CA THR A 37 4.278 6.645 -7.636 1.00 0.00 C ATOM 534 C THR A 37 4.220 7.989 -8.354 1.00 0.00 C ATOM 535 O THR A 37 5.208 8.722 -8.400 1.00 0.00 O ATOM 536 CB THR A 37 5.751 6.279 -7.374 1.00 0.00 C ATOM 537 OG1 THR A 37 6.391 5.911 -8.601 1.00 0.00 O ATOM 538 CG2 THR A 37 5.855 5.134 -6.378 1.00 0.00 C ATOM 0 H THR A 37 3.908 5.535 -9.375 1.00 0.00 H new ATOM 0 HA THR A 37 3.755 6.723 -6.683 1.00 0.00 H new ATOM 0 HB THR A 37 6.250 7.152 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.327 5.682 -8.426 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.905 4.893 -6.209 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.394 5.429 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.341 4.258 -6.775 1.00 0.00 H new ATOM 546 N SER A 38 3.057 8.305 -8.914 1.00 0.00 N ATOM 547 CA SER A 38 2.872 9.560 -9.633 1.00 0.00 C ATOM 548 C SER A 38 2.423 10.669 -8.686 1.00 0.00 C ATOM 549 O SER A 38 1.817 11.654 -9.107 1.00 0.00 O ATOM 550 CB SER A 38 1.844 9.384 -10.753 1.00 0.00 C ATOM 551 OG SER A 38 0.522 9.497 -10.254 1.00 0.00 O ATOM 0 H SER A 38 2.229 7.710 -8.884 1.00 0.00 H new ATOM 0 HA SER A 38 3.830 9.844 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.010 10.135 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.977 8.410 -11.223 1.00 0.00 H new ATOM 0 HG SER A 38 0.139 8.603 -10.138 1.00 0.00 H new ATOM 557 N HIS A 39 2.725 10.500 -7.402 1.00 0.00 N ATOM 558 CA HIS A 39 2.354 11.485 -6.393 1.00 0.00 C ATOM 559 C HIS A 39 3.013 11.167 -5.055 1.00 0.00 C ATOM 560 O HIS A 39 2.648 10.200 -4.388 1.00 0.00 O ATOM 561 CB HIS A 39 0.835 11.531 -6.229 1.00 0.00 C ATOM 562 CG HIS A 39 0.317 12.875 -5.819 1.00 0.00 C ATOM 563 ND1 HIS A 39 -0.791 13.041 -5.014 1.00 0.00 N ATOM 564 CD2 HIS A 39 0.762 14.120 -6.104 1.00 0.00 C ATOM 565 CE1 HIS A 39 -1.005 14.330 -4.825 1.00 0.00 C ATOM 566 NE2 HIS A 39 -0.076 15.007 -5.475 1.00 0.00 N ATOM 0 H HIS A 39 3.226 9.690 -7.036 1.00 0.00 H new ATOM 0 HA HIS A 39 2.705 12.461 -6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.367 11.242 -7.170 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.536 10.793 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.618 14.370 -6.713 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.804 14.758 -4.238 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.006 16.023 -5.505 1.00 0.00 H new ATOM 575 N GLU A 40 3.986 11.987 -4.669 1.00 0.00 N ATOM 576 CA GLU A 40 4.696 11.791 -3.411 1.00 0.00 C ATOM 577 C GLU A 40 3.726 11.788 -2.233 1.00 0.00 C ATOM 578 O GLU A 40 4.087 11.416 -1.118 1.00 0.00 O ATOM 579 CB GLU A 40 5.748 12.885 -3.217 1.00 0.00 C ATOM 580 CG GLU A 40 6.888 12.818 -4.219 1.00 0.00 C ATOM 581 CD GLU A 40 8.008 13.787 -3.894 1.00 0.00 C ATOM 582 OE1 GLU A 40 7.887 14.976 -4.255 1.00 0.00 O ATOM 583 OE2 GLU A 40 9.006 13.356 -3.279 1.00 0.00 O ATOM 0 H GLU A 40 4.300 12.793 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 40 5.194 10.822 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.265 13.859 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.156 12.810 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.286 11.804 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.504 13.034 -5.216 1.00 0.00 H new ATOM 590 N GLY A 41 2.490 12.207 -2.491 1.00 0.00 N ATOM 591 CA GLY A 41 1.487 12.246 -1.443 1.00 0.00 C ATOM 592 C GLY A 41 0.666 10.973 -1.379 1.00 0.00 C ATOM 593 O GLY A 41 0.511 10.381 -0.311 1.00 0.00 O ATOM 0 H GLY A 41 2.166 12.520 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.976 12.408 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.824 13.095 -1.610 1.00 0.00 H new ATOM 597 N TRP A 42 0.139 10.553 -2.523 1.00 0.00 N ATOM 598 CA TRP A 42 -0.672 9.343 -2.591 1.00 0.00 C ATOM 599 C TRP A 42 -0.079 8.345 -3.580 1.00 0.00 C ATOM 600 O TRP A 42 0.273 8.706 -4.703 1.00 0.00 O ATOM 601 CB TRP A 42 -2.107 9.688 -2.994 1.00 0.00 C ATOM 602 CG TRP A 42 -2.768 10.658 -2.062 1.00 0.00 C ATOM 603 CD1 TRP A 42 -2.786 12.019 -2.174 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.507 10.340 -0.877 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.491 12.567 -1.129 1.00 0.00 N ATOM 606 CE2 TRP A 42 -3.944 11.558 -0.320 1.00 0.00 C ATOM 607 CE3 TRP A 42 -3.843 9.146 -0.234 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -4.697 11.613 0.849 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.590 9.203 0.927 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.012 10.429 1.458 1.00 0.00 C ATOM 0 H TRP A 42 0.258 11.032 -3.416 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.680 8.885 -1.602 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.104 10.107 -4.000 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.697 8.772 -3.032 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.316 12.582 -2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.651 13.563 -0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.525 8.196 -0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.021 12.557 1.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.853 8.286 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.597 10.440 2.366 1.00 0.00 H new ATOM 621 N TRP A 43 0.028 7.091 -3.156 1.00 0.00 N ATOM 622 CA TRP A 43 0.579 6.042 -4.005 1.00 0.00 C ATOM 623 C TRP A 43 -0.394 4.875 -4.129 1.00 0.00 C ATOM 624 O TRP A 43 -1.218 4.644 -3.244 1.00 0.00 O ATOM 625 CB TRP A 43 1.914 5.551 -3.444 1.00 0.00 C ATOM 626 CG TRP A 43 3.014 6.563 -3.557 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.062 7.630 -4.408 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.226 6.600 -2.795 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.230 8.329 -4.221 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.961 7.718 -3.236 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.760 5.800 -1.781 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.201 8.052 -2.698 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.991 6.133 -1.249 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.700 7.251 -1.707 1.00 0.00 C ATOM 0 H TRP A 43 -0.260 6.776 -2.229 1.00 0.00 H new ATOM 0 HA TRP A 43 0.743 6.462 -4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.783 5.283 -2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.209 4.643 -3.970 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.294 7.887 -5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.508 9.167 -4.732 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.220 4.937 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.750 8.913 -3.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.414 5.521 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.659 7.485 -1.269 1.00 0.00 H new ATOM 645 N LEU A 44 -0.294 4.141 -5.232 1.00 0.00 N ATOM 646 CA LEU A 44 -1.167 2.997 -5.472 1.00 0.00 C ATOM 647 C LEU A 44 -0.446 1.689 -5.163 1.00 0.00 C ATOM 648 O LEU A 44 0.369 1.215 -5.955 1.00 0.00 O ATOM 649 CB LEU A 44 -1.652 2.995 -6.923 1.00 0.00 C ATOM 650 CG LEU A 44 -2.485 1.786 -7.350 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.864 1.835 -6.709 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.601 1.727 -8.866 1.00 0.00 C ATOM 0 H LEU A 44 0.383 4.318 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.028 3.082 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.243 3.895 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.782 3.061 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.980 0.882 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.443 0.967 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.761 1.828 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.377 2.745 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.197 0.860 -9.152 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.083 2.635 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.606 1.644 -9.304 1.00 0.00 H new ATOM 664 N ALA A 45 -0.752 1.109 -4.007 1.00 0.00 N ATOM 665 CA ALA A 45 -0.137 -0.147 -3.595 1.00 0.00 C ATOM 666 C ALA A 45 -1.180 -1.250 -3.457 1.00 0.00 C ATOM 667 O ALA A 45 -2.383 -0.986 -3.471 1.00 0.00 O ATOM 668 CB ALA A 45 0.615 0.038 -2.285 1.00 0.00 C ATOM 0 H ALA A 45 -1.422 1.489 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 45 0.570 -0.447 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.069 -0.908 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.394 0.789 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.079 0.365 -1.510 1.00 0.00 H new ATOM 674 N ARG A 46 -0.713 -2.487 -3.324 1.00 0.00 N ATOM 675 CA ARG A 46 -1.606 -3.631 -3.185 1.00 0.00 C ATOM 676 C ARG A 46 -1.248 -4.454 -1.951 1.00 0.00 C ATOM 677 O ARG A 46 -0.077 -4.568 -1.586 1.00 0.00 O ATOM 678 CB ARG A 46 -1.541 -4.511 -4.434 1.00 0.00 C ATOM 679 CG ARG A 46 -0.221 -5.249 -4.591 1.00 0.00 C ATOM 680 CD ARG A 46 -0.361 -6.450 -5.514 1.00 0.00 C ATOM 681 NE ARG A 46 -0.820 -7.639 -4.801 1.00 0.00 N ATOM 682 CZ ARG A 46 -0.912 -8.840 -5.359 1.00 0.00 C ATOM 683 NH1 ARG A 46 -0.578 -9.012 -6.630 1.00 0.00 N ATOM 684 NH2 ARG A 46 -1.338 -9.874 -4.644 1.00 0.00 N ATOM 0 H ARG A 46 0.279 -2.723 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.622 -3.254 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.352 -5.238 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.708 -3.890 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.532 -4.569 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.131 -5.579 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.064 -6.213 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.599 -6.658 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.084 -7.541 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.249 -8.220 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.650 -9.936 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.595 -9.746 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.408 -10.797 -5.073 1.00 0.00 H new ATOM 698 N HIS A 47 -2.264 -5.025 -1.311 1.00 0.00 N ATOM 699 CA HIS A 47 -2.057 -5.837 -0.118 1.00 0.00 C ATOM 700 C HIS A 47 -1.263 -7.097 -0.450 1.00 0.00 C ATOM 701 O HIS A 47 -1.645 -7.871 -1.329 1.00 0.00 O ATOM 702 CB HIS A 47 -3.400 -6.216 0.507 1.00 0.00 C ATOM 703 CG HIS A 47 -3.920 -5.197 1.474 1.00 0.00 C ATOM 704 ND1 HIS A 47 -4.838 -4.215 1.316 1.00 0.00 N flip ATOM 705 CD2 HIS A 47 -3.490 -5.113 2.781 1.00 0.00 C flip ATOM 706 CE1 HIS A 47 -4.946 -3.562 2.520 1.00 0.00 C flip ATOM 707 NE2 HIS A 47 -4.123 -4.124 3.387 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.239 -4.940 -1.599 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.486 -5.247 0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.133 -6.359 -0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.296 -7.172 1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.751 -5.755 3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.598 -2.725 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.997 -3.842 4.359 1.00 0.00 H new ATOM 716 N LEU A 48 -0.156 -7.297 0.258 1.00 0.00 N ATOM 717 CA LEU A 48 0.692 -8.463 0.038 1.00 0.00 C ATOM 718 C LEU A 48 0.321 -9.594 0.992 1.00 0.00 C ATOM 719 O LEU A 48 0.343 -10.766 0.618 1.00 0.00 O ATOM 720 CB LEU A 48 2.164 -8.089 0.221 1.00 0.00 C ATOM 721 CG LEU A 48 2.715 -7.040 -0.746 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.021 -6.464 -0.221 1.00 0.00 C ATOM 723 CD2 LEU A 48 2.913 -7.641 -2.129 1.00 0.00 C ATOM 0 H LEU A 48 0.175 -6.667 0.989 1.00 0.00 H new ATOM 0 HA LEU A 48 0.535 -8.808 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.302 -7.724 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.763 -8.994 0.123 1.00 0.00 H new ATOM 0 HG LEU A 48 1.990 -6.230 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.398 -5.719 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.849 -5.996 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.754 -7.264 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.306 -6.880 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.618 -8.470 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.958 -8.004 -2.508 1.00 0.00 H new ATOM 735 N GLU A 49 -0.022 -9.233 2.225 1.00 0.00 N ATOM 736 CA GLU A 49 -0.399 -10.219 3.231 1.00 0.00 C ATOM 737 C GLU A 49 -1.414 -11.209 2.669 1.00 0.00 C ATOM 738 O GLU A 49 -2.264 -10.850 1.853 1.00 0.00 O ATOM 739 CB GLU A 49 -0.978 -9.524 4.465 1.00 0.00 C ATOM 740 CG GLU A 49 0.068 -9.162 5.506 1.00 0.00 C ATOM 741 CD GLU A 49 0.531 -10.362 6.310 1.00 0.00 C ATOM 742 OE1 GLU A 49 -0.184 -10.754 7.257 1.00 0.00 O ATOM 743 OE2 GLU A 49 1.608 -10.909 5.993 1.00 0.00 O ATOM 0 H GLU A 49 -0.046 -8.267 2.551 1.00 0.00 H new ATOM 0 HA GLU A 49 0.497 -10.768 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.496 -8.617 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.723 -10.175 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.926 -8.708 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.342 -8.412 6.183 1.00 0.00 H new ATOM 882 N LEU A 59 -8.031 -4.427 -1.960 1.00 0.00 N ATOM 883 CA LEU A 59 -6.653 -4.906 -1.975 1.00 0.00 C ATOM 884 C LEU A 59 -5.708 -3.831 -2.503 1.00 0.00 C ATOM 885 O LEU A 59 -4.551 -3.753 -2.093 1.00 0.00 O ATOM 886 CB LEU A 59 -6.540 -6.167 -2.834 1.00 0.00 C ATOM 887 CG LEU A 59 -6.718 -5.971 -4.340 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.957 -7.039 -5.110 1.00 0.00 C ATOM 889 CD2 LEU A 59 -8.194 -5.994 -4.710 1.00 0.00 C ATOM 0 HA LEU A 59 -6.366 -5.144 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.562 -6.615 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.285 -6.884 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.311 -4.997 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.095 -6.884 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.896 -6.976 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.334 -8.024 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.302 -5.853 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.626 -6.953 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.713 -5.192 -4.185 1.00 0.00 H new ATOM 901 N GLN A 60 -6.212 -3.003 -3.413 1.00 0.00 N ATOM 902 CA GLN A 60 -5.413 -1.931 -3.995 1.00 0.00 C ATOM 903 C GLN A 60 -6.111 -0.585 -3.837 1.00 0.00 C ATOM 904 O GLN A 60 -7.333 -0.491 -3.946 1.00 0.00 O ATOM 905 CB GLN A 60 -5.148 -2.211 -5.476 1.00 0.00 C ATOM 906 CG GLN A 60 -3.878 -3.008 -5.726 1.00 0.00 C ATOM 907 CD GLN A 60 -3.719 -3.411 -7.179 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.167 -2.512 -7.986 1.00 0.00 O flip ATOM 909 NE2 GLN A 60 -4.088 -4.518 -7.572 1.00 0.00 N flip ATOM 0 H GLN A 60 -7.169 -3.054 -3.763 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.462 -1.891 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.996 -2.755 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.084 -1.263 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.016 -2.415 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.886 -3.903 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.507 -5.178 -6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.974 -4.775 -8.553 1.00 0.00 H new ATOM 918 N GLY A 61 -5.325 0.457 -3.579 1.00 0.00 N ATOM 919 CA GLY A 61 -5.886 1.785 -3.409 1.00 0.00 C ATOM 920 C GLY A 61 -4.822 2.837 -3.167 1.00 0.00 C ATOM 921 O GLY A 61 -3.630 2.528 -3.132 1.00 0.00 O ATOM 0 H GLY A 61 -4.311 0.405 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.459 2.050 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.582 1.777 -2.570 1.00 0.00 H new ATOM 925 N TYR A 62 -5.251 4.083 -3.001 1.00 0.00 N ATOM 926 CA TYR A 62 -4.326 5.185 -2.766 1.00 0.00 C ATOM 927 C TYR A 62 -4.045 5.351 -1.275 1.00 0.00 C ATOM 928 O TYR A 62 -4.966 5.504 -0.472 1.00 0.00 O ATOM 929 CB TYR A 62 -4.893 6.485 -3.338 1.00 0.00 C ATOM 930 CG TYR A 62 -5.080 6.456 -4.838 1.00 0.00 C ATOM 931 CD1 TYR A 62 -3.994 6.305 -5.691 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.345 6.578 -5.401 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.162 6.279 -7.062 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.521 6.551 -6.771 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.427 6.402 -7.597 1.00 0.00 C ATOM 936 OH TYR A 62 -5.598 6.374 -8.962 1.00 0.00 O ATOM 0 H TYR A 62 -6.234 4.355 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.388 4.953 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.853 6.692 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.226 7.307 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.002 6.206 -5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.204 6.696 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.307 6.163 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.511 6.646 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.550 6.472 -9.175 1.00 0.00 H new ATOM 946 N ILE A 63 -2.767 5.320 -0.914 1.00 0.00 N ATOM 947 CA ILE A 63 -2.364 5.469 0.479 1.00 0.00 C ATOM 948 C ILE A 63 -1.311 6.561 0.633 1.00 0.00 C ATOM 949 O ILE A 63 -0.445 6.748 -0.222 1.00 0.00 O ATOM 950 CB ILE A 63 -1.806 4.151 1.048 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.536 3.744 0.299 1.00 0.00 C ATOM 952 CG2 ILE A 63 -2.854 3.052 0.961 1.00 0.00 C ATOM 953 CD1 ILE A 63 0.270 2.679 1.010 1.00 0.00 C ATOM 0 H ILE A 63 -1.993 5.193 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.258 5.747 1.037 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.553 4.303 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.809 3.381 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.089 4.625 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.445 2.127 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.734 3.342 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.135 2.899 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.156 2.440 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.574 3.046 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.338 1.783 1.131 1.00 0.00 H new ATOM 965 N PRO A 64 -1.384 7.301 1.749 1.00 0.00 N ATOM 966 CA PRO A 64 -0.443 8.386 2.043 1.00 0.00 C ATOM 967 C PRO A 64 0.957 7.870 2.359 1.00 0.00 C ATOM 968 O PRO A 64 1.136 7.036 3.247 1.00 0.00 O ATOM 969 CB PRO A 64 -1.054 9.062 3.273 1.00 0.00 C ATOM 970 CG PRO A 64 -1.866 7.997 3.926 1.00 0.00 C ATOM 971 CD PRO A 64 -2.390 7.134 2.811 1.00 0.00 C ATOM 0 HA PRO A 64 -0.314 9.055 1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.281 9.438 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.672 9.914 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.260 7.414 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.684 8.428 4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.481 6.092 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.378 7.457 2.483 1.00 0.00 H new ATOM 979 N SER A 65 1.947 8.372 1.627 1.00 0.00 N ATOM 980 CA SER A 65 3.331 7.959 1.827 1.00 0.00 C ATOM 981 C SER A 65 3.831 8.386 3.203 1.00 0.00 C ATOM 982 O SER A 65 4.664 7.713 3.809 1.00 0.00 O ATOM 983 CB SER A 65 4.225 8.554 0.738 1.00 0.00 C ATOM 984 OG SER A 65 5.595 8.420 1.074 1.00 0.00 O ATOM 0 H SER A 65 1.816 9.065 0.890 1.00 0.00 H new ATOM 0 HA SER A 65 3.373 6.871 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.029 8.054 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.983 9.608 0.599 1.00 0.00 H new ATOM 0 HG SER A 65 6.060 7.931 0.363 1.00 0.00 H new ATOM 990 N ASN A 66 3.318 9.511 3.690 1.00 0.00 N ATOM 991 CA ASN A 66 3.713 10.030 4.994 1.00 0.00 C ATOM 992 C ASN A 66 3.321 9.062 6.106 1.00 0.00 C ATOM 993 O ASN A 66 3.713 9.235 7.260 1.00 0.00 O ATOM 994 CB ASN A 66 3.066 11.395 5.240 1.00 0.00 C ATOM 995 CG ASN A 66 3.616 12.469 4.322 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.345 12.473 3.121 1.00 0.00 O ATOM 997 ND2 ASN A 66 4.393 13.387 4.885 1.00 0.00 N ATOM 0 H ASN A 66 2.628 10.081 3.201 1.00 0.00 H new ATOM 0 HA ASN A 66 4.797 10.142 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.989 11.315 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.228 11.689 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.792 14.135 4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.591 13.344 5.885 1.00 0.00 H new ATOM 1004 N TYR A 67 2.548 8.042 5.750 1.00 0.00 N ATOM 1005 CA TYR A 67 2.102 7.047 6.718 1.00 0.00 C ATOM 1006 C TYR A 67 2.984 5.803 6.666 1.00 0.00 C ATOM 1007 O TYR A 67 3.113 5.077 7.652 1.00 0.00 O ATOM 1008 CB TYR A 67 0.645 6.663 6.452 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.354 7.616 7.068 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.378 8.957 6.708 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.273 7.174 8.012 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.289 9.832 7.269 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.188 8.041 8.578 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.192 9.369 8.203 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.101 10.235 8.765 1.00 0.00 O ATOM 0 H TYR A 67 2.217 7.883 4.798 1.00 0.00 H new ATOM 0 HA TYR A 67 2.180 7.485 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.479 6.622 5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.465 5.660 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.328 9.323 5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.272 6.135 8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.294 10.872 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.896 7.681 9.310 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.665 9.749 9.403 1.00 0.00 H new ATOM 1025 N VAL A 68 3.592 5.565 5.508 1.00 0.00 N ATOM 1026 CA VAL A 68 4.465 4.411 5.326 1.00 0.00 C ATOM 1027 C VAL A 68 5.919 4.840 5.175 1.00 0.00 C ATOM 1028 O VAL A 68 6.227 6.032 5.160 1.00 0.00 O ATOM 1029 CB VAL A 68 4.054 3.585 4.092 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.597 3.160 4.195 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.297 4.378 2.817 1.00 0.00 C ATOM 0 H VAL A 68 3.496 6.156 4.682 1.00 0.00 H new ATOM 0 HA VAL A 68 4.363 3.793 6.218 1.00 0.00 H new ATOM 0 HB VAL A 68 4.668 2.685 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.325 2.578 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.458 2.553 5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.963 4.045 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.001 3.780 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.709 5.295 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.355 4.628 2.740 1.00 0.00 H new ATOM 1041 N ALA A 69 6.811 3.861 5.062 1.00 0.00 N ATOM 1042 CA ALA A 69 8.234 4.138 4.910 1.00 0.00 C ATOM 1043 C ALA A 69 8.952 2.971 4.241 1.00 0.00 C ATOM 1044 O ALA A 69 8.403 1.874 4.131 1.00 0.00 O ATOM 1045 CB ALA A 69 8.861 4.440 6.263 1.00 0.00 C ATOM 0 H ALA A 69 6.573 2.869 5.073 1.00 0.00 H new ATOM 0 HA ALA A 69 8.342 5.013 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.924 4.645 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.375 5.310 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.735 3.581 6.922 1.00 0.00 H new ATOM 1051 N GLU A 70 10.180 3.214 3.794 1.00 0.00 N ATOM 1052 CA GLU A 70 10.971 2.182 3.134 1.00 0.00 C ATOM 1053 C GLU A 70 11.519 1.184 4.149 1.00 0.00 C ATOM 1054 O GLU A 70 12.413 1.507 4.932 1.00 0.00 O ATOM 1055 CB GLU A 70 12.123 2.815 2.350 1.00 0.00 C ATOM 1056 CG GLU A 70 11.758 3.183 0.922 1.00 0.00 C ATOM 1057 CD GLU A 70 12.966 3.240 0.007 1.00 0.00 C ATOM 1058 OE1 GLU A 70 13.632 2.197 -0.163 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.246 4.328 -0.538 1.00 0.00 O ATOM 0 H GLU A 70 10.649 4.116 3.877 1.00 0.00 H new ATOM 0 HA GLU A 70 10.320 1.648 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.458 3.711 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.964 2.122 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.047 2.454 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.257 4.151 0.917 1.00 0.00 H new ATOM 1066 N ASP A 71 10.976 -0.028 4.130 1.00 0.00 N ATOM 1067 CA ASP A 71 11.411 -1.075 5.048 1.00 0.00 C ATOM 1068 C ASP A 71 12.495 -1.940 4.413 1.00 0.00 C ATOM 1069 O ASP A 71 12.351 -2.400 3.280 1.00 0.00 O ATOM 1070 CB ASP A 71 10.223 -1.945 5.462 1.00 0.00 C ATOM 1071 CG ASP A 71 10.404 -2.557 6.837 1.00 0.00 C ATOM 1072 OD1 ASP A 71 11.548 -2.928 7.176 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.403 -2.664 7.575 1.00 0.00 O ATOM 0 H ASP A 71 10.234 -0.310 3.489 1.00 0.00 H new ATOM 0 HA ASP A 71 11.828 -0.597 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.315 -1.343 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.086 -2.740 4.729 1.00 0.00 H new