USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -0.636 K(o=-1.4,f=-3.2!) USER MOD Set 1.2: A 92 ASN :FLIP amide:sc= -0.754 F(o=-3.6,f=-1.4) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 59 GLN : amide:sc= 0 X(o=0,f=0.43) USER MOD Set 3.1: A 14 MET CE :methyl -122:sc= -0.771 (180deg=-2.05!) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.51 X(o=-1.3,f=-1.3) USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.0748 USER MOD Single : A 7 CYS SG : rot 174:sc= -3.93! USER MOD Single : A 8 SER OG : rot -34:sc= 0.698! USER MOD Single : A 9 SER OG : rot -147:sc= -1.48 USER MOD Single : A 12 THR OG1 : rot 26:sc= 0.364 USER MOD Single : A 16 TYR OH : rot 90:sc= -0.624 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0297 F(o=-0.67,f=-0.03) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 48:sc= 0.475 USER MOD Single : A 37 GLN :FLIP amide:sc= -3.58! C(o=-6.1!,f=-3.6!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.234 F(o=-1.3,f=-0.23) USER MOD Single : A 41 ASN : amide:sc= -0.402 K(o=-0.4,f=-4.8!) USER MOD Single : A 43 THR OG1 : rot 92:sc= 0.0665 USER MOD Single : A 45 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.019) USER MOD Single : A 46 SER OG : rot 180:sc= -0.317 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -0.215 (180deg=-0.269) USER MOD Single : A 54 MET CE :methyl -169:sc= -6.64! (180deg=-7.31!) USER MOD Single : A 55 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.1!) USER MOD Single : A 58 GLN : amide:sc= -0.534 K(o=-0.53,f=-3!) USER MOD Single : A 63 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.5!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -144:sc= 0.981 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.76 F(o=-3.7!,f=-1.8) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 80 HIS :FLIP no HE2:sc= -9.11! C(o=-11!,f=-9.1!) USER MOD Single : A 81 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 87 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.2) USER MOD Single : A 95 SER OG : rot 42:sc= 0.273 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN :FLIP amide:sc= -0.154 F(o=-0.72,f=-0.15) USER MOD Single : A 106 MET CE :methyl -121:sc= -13.2! (180deg=-20.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.649 9.491 4.743 1.00 0.00 N ATOM 47 CA THR A 4 11.501 10.047 3.403 1.00 0.00 C ATOM 48 C THR A 4 10.531 9.218 2.567 1.00 0.00 C ATOM 49 O THR A 4 10.689 8.006 2.435 1.00 0.00 O ATOM 50 CB THR A 4 12.862 10.116 2.706 1.00 0.00 C ATOM 51 OG1 THR A 4 13.764 10.917 3.449 1.00 0.00 O ATOM 52 CG2 THR A 4 12.792 10.683 1.305 1.00 0.00 C ATOM 0 HA THR A 4 11.095 11.054 3.500 1.00 0.00 H new ATOM 0 HB THR A 4 13.207 9.084 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.518 10.893 4.397 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.791 10.703 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.142 10.059 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.392 11.696 1.342 1.00 0.00 H new ATOM 60 N VAL A 5 9.528 9.883 2.002 1.00 0.00 N ATOM 61 CA VAL A 5 8.534 9.211 1.175 1.00 0.00 C ATOM 62 C VAL A 5 9.100 8.895 -0.210 1.00 0.00 C ATOM 63 O VAL A 5 9.985 9.597 -0.700 1.00 0.00 O ATOM 64 CB VAL A 5 7.256 10.068 1.035 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.380 9.566 -0.101 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.477 10.077 2.342 1.00 0.00 C ATOM 0 H VAL A 5 9.383 10.888 2.102 1.00 0.00 H new ATOM 0 HA VAL A 5 8.274 8.276 1.671 1.00 0.00 H new ATOM 0 HB VAL A 5 7.559 11.088 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.488 10.188 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.935 9.615 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.087 8.534 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.580 10.685 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.193 9.058 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.099 10.495 3.133 1.00 0.00 H new ATOM 76 N ILE A 6 8.596 7.829 -0.832 1.00 0.00 N ATOM 77 CA ILE A 6 9.072 7.424 -2.152 1.00 0.00 C ATOM 78 C ILE A 6 8.056 7.716 -3.251 1.00 0.00 C ATOM 79 O ILE A 6 8.290 8.560 -4.116 1.00 0.00 O ATOM 80 CB ILE A 6 9.409 5.921 -2.200 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.855 5.427 -0.821 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.476 5.663 -3.251 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.654 4.139 -0.849 1.00 0.00 C ATOM 0 H ILE A 6 7.863 7.235 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 6 9.972 8.013 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 6 8.514 5.363 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.455 6.203 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.973 5.280 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.709 4.599 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.109 5.980 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.376 6.225 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.930 3.860 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.051 3.346 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.556 4.283 -1.443 1.00 0.00 H new ATOM 95 N CYS A 7 6.942 6.992 -3.230 1.00 0.00 N ATOM 96 CA CYS A 7 5.910 7.151 -4.243 1.00 0.00 C ATOM 97 C CYS A 7 4.614 7.678 -3.643 1.00 0.00 C ATOM 98 O CYS A 7 4.508 7.861 -2.432 1.00 0.00 O ATOM 99 CB CYS A 7 5.659 5.811 -4.933 1.00 0.00 C ATOM 100 SG CYS A 7 4.904 4.558 -3.874 1.00 0.00 S ATOM 0 H CYS A 7 6.732 6.289 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 7 6.260 7.882 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.015 5.976 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.607 5.427 -5.311 1.00 0.00 H new ATOM 0 HG CYS A 7 4.618 3.506 -4.583 1.00 0.00 H new ATOM 106 N SER A 8 3.628 7.916 -4.503 1.00 0.00 N ATOM 107 CA SER A 8 2.333 8.421 -4.062 1.00 0.00 C ATOM 108 C SER A 8 1.250 8.117 -5.095 1.00 0.00 C ATOM 109 O SER A 8 1.273 8.652 -6.203 1.00 0.00 O ATOM 110 CB SER A 8 2.415 9.932 -3.811 1.00 0.00 C ATOM 111 OG SER A 8 1.718 10.664 -4.806 1.00 0.00 O ATOM 0 H SER A 8 3.702 7.767 -5.509 1.00 0.00 H new ATOM 0 HA SER A 8 2.068 7.919 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.998 10.162 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.460 10.243 -3.794 1.00 0.00 H new ATOM 0 HG SER A 8 1.797 10.203 -5.667 1.00 0.00 H new ATOM 117 N SER A 9 0.304 7.254 -4.733 1.00 0.00 N ATOM 118 CA SER A 9 -0.776 6.888 -5.645 1.00 0.00 C ATOM 119 C SER A 9 -2.148 7.020 -4.985 1.00 0.00 C ATOM 120 O SER A 9 -2.282 6.888 -3.769 1.00 0.00 O ATOM 121 CB SER A 9 -0.582 5.454 -6.138 1.00 0.00 C ATOM 122 OG SER A 9 -1.647 5.060 -6.983 1.00 0.00 O ATOM 0 H SER A 9 0.263 6.798 -3.821 1.00 0.00 H new ATOM 0 HA SER A 9 -0.740 7.578 -6.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.362 5.375 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.520 4.778 -5.285 1.00 0.00 H new ATOM 0 HG SER A 9 -1.821 4.103 -6.865 1.00 0.00 H new ATOM 128 N ARG A 10 -3.167 7.266 -5.810 1.00 0.00 N ATOM 129 CA ARG A 10 -4.539 7.399 -5.328 1.00 0.00 C ATOM 130 C ARG A 10 -5.267 6.065 -5.450 1.00 0.00 C ATOM 131 O ARG A 10 -5.227 5.423 -6.503 1.00 0.00 O ATOM 132 CB ARG A 10 -5.279 8.478 -6.121 1.00 0.00 C ATOM 133 CG ARG A 10 -6.689 8.747 -5.617 1.00 0.00 C ATOM 134 CD ARG A 10 -7.026 10.228 -5.668 1.00 0.00 C ATOM 135 NE ARG A 10 -8.376 10.501 -5.182 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.477 10.331 -5.912 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.392 9.890 -7.161 1.00 0.00 N ATOM 138 NH2 ARG A 10 -10.665 10.606 -5.393 1.00 0.00 N ATOM 0 H ARG A 10 -3.065 7.377 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.515 7.694 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.705 9.404 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.328 8.178 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.405 8.189 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.786 8.386 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.306 10.784 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.931 10.586 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.482 10.842 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.480 9.679 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.239 9.762 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.736 10.948 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.508 10.476 -5.952 1.00 0.00 H new ATOM 152 N ALA A 11 -5.922 5.639 -4.373 1.00 0.00 N ATOM 153 CA ALA A 11 -6.631 4.366 -4.384 1.00 0.00 C ATOM 154 C ALA A 11 -7.381 4.127 -3.077 1.00 0.00 C ATOM 155 O ALA A 11 -7.076 4.734 -2.052 1.00 0.00 O ATOM 156 CB ALA A 11 -5.642 3.234 -4.627 1.00 0.00 C ATOM 0 H ALA A 11 -5.976 6.151 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.366 4.396 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.173 2.282 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.148 3.382 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.896 3.226 -3.833 1.00 0.00 H new ATOM 162 N THR A 12 -8.350 3.217 -3.122 1.00 0.00 N ATOM 163 CA THR A 12 -9.133 2.872 -1.944 1.00 0.00 C ATOM 164 C THR A 12 -8.514 1.666 -1.250 1.00 0.00 C ATOM 165 O THR A 12 -8.920 0.527 -1.479 1.00 0.00 O ATOM 166 CB THR A 12 -10.580 2.570 -2.332 1.00 0.00 C ATOM 167 OG1 THR A 12 -11.139 3.648 -3.061 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.477 2.306 -1.142 1.00 0.00 C ATOM 0 H THR A 12 -8.611 2.705 -3.965 1.00 0.00 H new ATOM 0 HA THR A 12 -9.130 3.720 -1.260 1.00 0.00 H new ATOM 0 HB THR A 12 -10.533 1.665 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.423 4.147 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.489 2.099 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.101 1.447 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.488 3.182 -0.493 1.00 0.00 H new ATOM 176 N VAL A 13 -7.514 1.932 -0.414 1.00 0.00 N ATOM 177 CA VAL A 13 -6.803 0.883 0.312 1.00 0.00 C ATOM 178 C VAL A 13 -7.744 -0.209 0.824 1.00 0.00 C ATOM 179 O VAL A 13 -8.855 0.065 1.277 1.00 0.00 O ATOM 180 CB VAL A 13 -5.991 1.478 1.480 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.301 0.383 2.283 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.973 2.477 0.949 1.00 0.00 C ATOM 0 H VAL A 13 -7.175 2.875 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.118 0.418 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.678 1.996 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.736 0.832 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.050 -0.296 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.623 -0.171 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.404 2.893 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.295 1.974 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.491 3.281 0.426 1.00 0.00 H new ATOM 192 N MET A 14 -7.271 -1.447 0.734 1.00 0.00 N ATOM 193 CA MET A 14 -8.030 -2.615 1.166 1.00 0.00 C ATOM 194 C MET A 14 -7.180 -3.491 2.087 1.00 0.00 C ATOM 195 O MET A 14 -6.016 -3.183 2.349 1.00 0.00 O ATOM 196 CB MET A 14 -8.483 -3.437 -0.052 1.00 0.00 C ATOM 197 CG MET A 14 -9.747 -4.241 0.195 1.00 0.00 C ATOM 198 SD MET A 14 -10.936 -4.104 -1.154 1.00 0.00 S ATOM 199 CE MET A 14 -12.480 -4.103 -0.246 1.00 0.00 C ATOM 0 H MET A 14 -6.349 -1.669 0.359 1.00 0.00 H new ATOM 0 HA MET A 14 -8.908 -2.271 1.712 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.649 -2.764 -0.893 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.681 -4.116 -0.341 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.484 -5.289 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.213 -3.902 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.103 -4.930 -0.587 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.276 -4.218 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 14 -13.002 -3.161 -0.416 1.00 0.00 H new ATOM 209 N LEU A 15 -7.763 -4.584 2.569 1.00 0.00 N ATOM 210 CA LEU A 15 -7.057 -5.508 3.452 1.00 0.00 C ATOM 211 C LEU A 15 -7.754 -6.862 3.463 1.00 0.00 C ATOM 212 O LEU A 15 -8.892 -6.983 3.912 1.00 0.00 O ATOM 213 CB LEU A 15 -6.979 -4.938 4.869 1.00 0.00 C ATOM 214 CG LEU A 15 -5.754 -5.357 5.692 1.00 0.00 C ATOM 215 CD1 LEU A 15 -4.490 -5.352 4.845 1.00 0.00 C ATOM 216 CD2 LEU A 15 -5.581 -4.428 6.876 1.00 0.00 C ATOM 0 H LEU A 15 -8.725 -4.853 2.363 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.042 -5.641 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.994 -3.850 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.876 -5.237 5.410 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.921 -6.374 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.640 -5.653 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.605 -6.050 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.318 -4.349 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.709 -4.734 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.441 -3.407 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.469 -4.474 7.507 1.00 0.00 H new ATOM 228 N TYR A 16 -7.072 -7.873 2.939 1.00 0.00 N ATOM 229 CA TYR A 16 -7.635 -9.213 2.857 1.00 0.00 C ATOM 230 C TYR A 16 -7.689 -9.907 4.209 1.00 0.00 C ATOM 231 O TYR A 16 -6.844 -9.687 5.077 1.00 0.00 O ATOM 232 CB TYR A 16 -6.830 -10.071 1.884 1.00 0.00 C ATOM 233 CG TYR A 16 -7.635 -11.187 1.268 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.401 -10.969 0.131 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.633 -12.456 1.828 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.144 -11.986 -0.435 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.371 -13.481 1.272 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.126 -13.243 0.139 1.00 0.00 C ATOM 239 OH TYR A 16 -9.864 -14.261 -0.419 1.00 0.00 O ATOM 0 H TYR A 16 -6.127 -7.789 2.564 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.658 -9.099 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.436 -9.436 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.974 -10.496 2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.416 -9.987 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.044 -12.645 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.735 -11.800 -1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.359 -14.464 1.720 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.319 -14.734 -1.082 1.00 0.00 H new ATOM 249 N ASP A 17 -8.688 -10.768 4.359 1.00 0.00 N ATOM 250 CA ASP A 17 -8.874 -11.538 5.581 1.00 0.00 C ATOM 251 C ASP A 17 -8.874 -13.029 5.261 1.00 0.00 C ATOM 252 O ASP A 17 -9.925 -13.626 5.028 1.00 0.00 O ATOM 253 CB ASP A 17 -10.187 -11.146 6.263 1.00 0.00 C ATOM 254 CG ASP A 17 -10.062 -11.101 7.774 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.336 -10.223 8.284 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.691 -11.944 8.447 1.00 0.00 O ATOM 0 H ASP A 17 -9.388 -10.951 3.640 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.051 -11.320 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.506 -10.170 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.964 -11.859 5.986 1.00 0.00 H new ATOM 261 N ASP A 18 -7.683 -13.625 5.240 1.00 0.00 N ATOM 262 CA ASP A 18 -7.536 -15.049 4.936 1.00 0.00 C ATOM 263 C ASP A 18 -8.498 -15.902 5.759 1.00 0.00 C ATOM 264 O ASP A 18 -8.837 -17.019 5.370 1.00 0.00 O ATOM 265 CB ASP A 18 -6.096 -15.497 5.194 1.00 0.00 C ATOM 266 CG ASP A 18 -5.698 -15.358 6.650 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.342 -14.565 7.369 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.743 -16.043 7.073 1.00 0.00 O ATOM 0 H ASP A 18 -6.804 -13.144 5.430 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.778 -15.189 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.982 -16.537 4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.419 -14.906 4.577 1.00 0.00 H new ATOM 273 N GLY A 19 -8.932 -15.369 6.896 1.00 0.00 N ATOM 274 CA GLY A 19 -9.851 -16.095 7.756 1.00 0.00 C ATOM 275 C GLY A 19 -11.057 -16.629 7.008 1.00 0.00 C ATOM 276 O GLY A 19 -11.409 -17.801 7.140 1.00 0.00 O ATOM 0 H GLY A 19 -8.664 -14.446 7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.323 -16.925 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.188 -15.438 8.557 1.00 0.00 H new ATOM 280 N ASN A 20 -11.691 -15.767 6.218 1.00 0.00 N ATOM 281 CA ASN A 20 -12.863 -16.160 5.444 1.00 0.00 C ATOM 282 C ASN A 20 -12.657 -15.889 3.956 1.00 0.00 C ATOM 283 O ASN A 20 -13.615 -15.870 3.183 1.00 0.00 O ATOM 284 CB ASN A 20 -14.101 -15.412 5.943 1.00 0.00 C ATOM 285 CG ASN A 20 -14.477 -15.796 7.362 1.00 0.00 C ATOM 286 OD1 ASN A 20 -13.647 -15.401 8.321 1.00 0.00 O flip ATOM 287 ND2 ASN A 20 -15.500 -16.439 7.593 1.00 0.00 N flip ATOM 0 H ASN A 20 -11.413 -14.793 6.097 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.011 -17.231 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.917 -14.339 5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.940 -15.620 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.109 -16.722 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.739 -16.689 8.552 1.00 0.00 H new ATOM 294 N LYS A 21 -11.404 -15.681 3.557 1.00 0.00 N ATOM 295 CA LYS A 21 -11.077 -15.413 2.160 1.00 0.00 C ATOM 296 C LYS A 21 -11.926 -14.272 1.604 1.00 0.00 C ATOM 297 O LYS A 21 -12.994 -14.499 1.037 1.00 0.00 O ATOM 298 CB LYS A 21 -11.275 -16.674 1.316 1.00 0.00 C ATOM 299 CG LYS A 21 -9.974 -17.279 0.814 1.00 0.00 C ATOM 300 CD LYS A 21 -10.177 -18.702 0.317 1.00 0.00 C ATOM 301 CE LYS A 21 -9.860 -19.721 1.399 1.00 0.00 C ATOM 302 NZ LYS A 21 -8.416 -20.086 1.413 1.00 0.00 N ATOM 0 H LYS A 21 -10.599 -15.693 4.183 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.030 -15.113 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.808 -17.418 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.908 -16.434 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.573 -16.665 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.236 -17.274 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.208 -18.829 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.540 -18.880 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.142 -19.317 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.459 -20.617 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.241 -20.783 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.152 -20.495 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.845 -19.235 1.590 1.00 0.00 H new ATOM 316 N ARG A 22 -11.444 -13.043 1.775 1.00 0.00 N ATOM 317 CA ARG A 22 -12.161 -11.867 1.293 1.00 0.00 C ATOM 318 C ARG A 22 -11.419 -10.585 1.659 1.00 0.00 C ATOM 319 O ARG A 22 -10.567 -10.582 2.548 1.00 0.00 O ATOM 320 CB ARG A 22 -13.570 -11.831 1.885 1.00 0.00 C ATOM 321 CG ARG A 22 -13.598 -12.059 3.389 1.00 0.00 C ATOM 322 CD ARG A 22 -14.380 -10.969 4.104 1.00 0.00 C ATOM 323 NE ARG A 22 -15.770 -10.912 3.658 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.562 -9.854 3.828 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.105 -8.765 4.433 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.813 -9.886 3.390 1.00 0.00 N ATOM 0 H ARG A 22 -10.561 -12.837 2.243 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.225 -11.933 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.025 -10.866 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.181 -12.591 1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.046 -13.029 3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.578 -12.088 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.351 -11.147 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.903 -10.005 3.928 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.157 -11.731 3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.143 -8.735 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.716 -7.958 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.169 -10.720 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.420 -9.076 3.520 1.00 0.00 H new ATOM 340 N TRP A 23 -11.755 -9.495 0.975 1.00 0.00 N ATOM 341 CA TRP A 23 -11.126 -8.207 1.238 1.00 0.00 C ATOM 342 C TRP A 23 -11.764 -7.537 2.449 1.00 0.00 C ATOM 343 O TRP A 23 -12.784 -7.997 2.961 1.00 0.00 O ATOM 344 CB TRP A 23 -11.252 -7.285 0.023 1.00 0.00 C ATOM 345 CG TRP A 23 -10.223 -7.535 -1.039 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.463 -7.818 -2.349 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.798 -7.515 -0.890 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.281 -7.998 -3.022 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.244 -7.813 -2.150 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.940 -7.280 0.182 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.870 -7.882 -2.363 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.574 -7.346 -0.031 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.053 -7.645 -1.293 1.00 0.00 C ATOM 0 H TRP A 23 -12.458 -9.479 0.236 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.070 -8.386 1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.245 -7.406 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.173 -6.250 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.444 -7.890 -2.795 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.191 -8.232 -4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.333 -7.051 1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.465 -8.114 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.899 -7.163 0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.982 -7.690 -1.426 1.00 0.00 H new ATOM 364 N LEU A 24 -11.158 -6.445 2.898 1.00 0.00 N ATOM 365 CA LEU A 24 -11.666 -5.703 4.045 1.00 0.00 C ATOM 366 C LEU A 24 -10.980 -4.340 4.149 1.00 0.00 C ATOM 367 O LEU A 24 -9.752 -4.261 4.186 1.00 0.00 O ATOM 368 CB LEU A 24 -11.451 -6.502 5.335 1.00 0.00 C ATOM 369 CG LEU A 24 -12.709 -7.160 5.905 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.368 -7.981 7.140 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.756 -6.107 6.235 1.00 0.00 C ATOM 0 H LEU A 24 -10.312 -6.053 2.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.735 -5.544 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.708 -7.277 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.032 -5.837 6.091 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.121 -7.830 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.275 -8.442 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.652 -8.758 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.933 -7.332 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.645 -6.592 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.354 -5.413 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.021 -5.561 5.330 1.00 0.00 H new ATOM 383 N PRO A 25 -11.762 -3.246 4.199 1.00 0.00 N ATOM 384 CA PRO A 25 -11.216 -1.889 4.297 1.00 0.00 C ATOM 385 C PRO A 25 -10.079 -1.786 5.307 1.00 0.00 C ATOM 386 O PRO A 25 -10.309 -1.747 6.516 1.00 0.00 O ATOM 387 CB PRO A 25 -12.419 -1.068 4.758 1.00 0.00 C ATOM 388 CG PRO A 25 -13.597 -1.777 4.185 1.00 0.00 C ATOM 389 CD PRO A 25 -13.239 -3.241 4.162 1.00 0.00 C ATOM 0 HA PRO A 25 -10.782 -1.553 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.474 -1.021 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.360 -0.041 4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.487 -1.604 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.818 -1.415 3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.662 -3.769 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.618 -3.731 3.265 1.00 0.00 H new ATOM 397 N ALA A 26 -8.847 -1.747 4.803 1.00 0.00 N ATOM 398 CA ALA A 26 -7.669 -1.652 5.660 1.00 0.00 C ATOM 399 C ALA A 26 -7.811 -0.524 6.678 1.00 0.00 C ATOM 400 O ALA A 26 -7.397 -0.658 7.829 1.00 0.00 O ATOM 401 CB ALA A 26 -6.419 -1.450 4.816 1.00 0.00 C ATOM 0 H ALA A 26 -8.640 -1.780 3.805 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.578 -2.588 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.548 -1.381 5.467 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.298 -2.294 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.515 -0.530 4.239 1.00 0.00 H new ATOM 407 N GLY A 27 -8.397 0.583 6.241 1.00 0.00 N ATOM 408 CA GLY A 27 -8.586 1.724 7.120 1.00 0.00 C ATOM 409 C GLY A 27 -9.471 1.406 8.310 1.00 0.00 C ATOM 410 O GLY A 27 -9.151 0.532 9.115 1.00 0.00 O ATOM 0 H GLY A 27 -8.746 0.713 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.615 2.068 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.027 2.545 6.554 1.00 0.00 H new ATOM 414 N THR A 28 -10.586 2.122 8.425 1.00 0.00 N ATOM 415 CA THR A 28 -11.517 1.913 9.529 1.00 0.00 C ATOM 416 C THR A 28 -12.893 1.499 9.021 1.00 0.00 C ATOM 417 O THR A 28 -13.329 0.368 9.231 1.00 0.00 O ATOM 418 CB THR A 28 -11.633 3.185 10.373 1.00 0.00 C ATOM 419 OG1 THR A 28 -10.418 3.914 10.348 1.00 0.00 O ATOM 420 CG2 THR A 28 -11.974 2.911 11.822 1.00 0.00 C ATOM 0 H THR A 28 -10.866 2.851 7.768 1.00 0.00 H new ATOM 0 HA THR A 28 -11.126 1.106 10.148 1.00 0.00 H new ATOM 0 HB THR A 28 -12.447 3.757 9.927 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.511 4.724 10.891 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.041 3.854 12.365 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.930 2.391 11.879 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.196 2.291 12.268 1.00 0.00 H new ATOM 428 N GLY A 29 -13.571 2.424 8.355 1.00 0.00 N ATOM 429 CA GLY A 29 -14.893 2.141 7.829 1.00 0.00 C ATOM 430 C GLY A 29 -15.104 2.705 6.437 1.00 0.00 C ATOM 431 O GLY A 29 -15.132 1.956 5.460 1.00 0.00 O ATOM 0 H GLY A 29 -13.229 3.367 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.047 1.062 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.643 2.556 8.502 1.00 0.00 H new ATOM 435 N PRO A 30 -15.254 4.036 6.310 1.00 0.00 N ATOM 436 CA PRO A 30 -15.462 4.689 5.013 1.00 0.00 C ATOM 437 C PRO A 30 -14.469 4.212 3.959 1.00 0.00 C ATOM 438 O PRO A 30 -13.480 3.552 4.277 1.00 0.00 O ATOM 439 CB PRO A 30 -15.242 6.167 5.328 1.00 0.00 C ATOM 440 CG PRO A 30 -15.614 6.306 6.763 1.00 0.00 C ATOM 441 CD PRO A 30 -15.232 5.007 7.422 1.00 0.00 C ATOM 0 HA PRO A 30 -16.444 4.469 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.206 6.458 5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.860 6.803 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.090 7.144 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.681 6.499 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.246 5.066 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.936 4.733 8.208 1.00 0.00 H new ATOM 449 N GLN A 31 -14.739 4.548 2.702 1.00 0.00 N ATOM 450 CA GLN A 31 -13.865 4.149 1.606 1.00 0.00 C ATOM 451 C GLN A 31 -13.817 5.217 0.520 1.00 0.00 C ATOM 452 O GLN A 31 -14.101 4.948 -0.648 1.00 0.00 O ATOM 453 CB GLN A 31 -14.328 2.818 1.015 1.00 0.00 C ATOM 454 CG GLN A 31 -13.743 1.609 1.723 1.00 0.00 C ATOM 455 CD GLN A 31 -14.328 0.302 1.229 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.450 -0.062 1.581 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.568 -0.415 0.409 1.00 0.00 N ATOM 0 H GLN A 31 -15.553 5.093 2.418 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.859 4.029 2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.416 2.767 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.053 2.781 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.663 1.596 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.920 1.700 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.644 -0.076 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.909 -1.305 0.045 1.00 0.00 H new ATOM 466 N ALA A 32 -13.441 6.428 0.912 1.00 0.00 N ATOM 467 CA ALA A 32 -13.340 7.538 -0.026 1.00 0.00 C ATOM 468 C ALA A 32 -11.921 7.640 -0.573 1.00 0.00 C ATOM 469 O ALA A 32 -11.305 8.706 -0.544 1.00 0.00 O ATOM 470 CB ALA A 32 -13.748 8.840 0.648 1.00 0.00 C ATOM 0 H ALA A 32 -13.201 6.666 1.874 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.019 7.354 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.667 9.660 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.778 8.762 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.091 9.032 1.497 1.00 0.00 H new ATOM 476 N PHE A 33 -11.403 6.515 -1.056 1.00 0.00 N ATOM 477 CA PHE A 33 -10.050 6.463 -1.594 1.00 0.00 C ATOM 478 C PHE A 33 -9.039 6.858 -0.528 1.00 0.00 C ATOM 479 O PHE A 33 -9.399 7.111 0.621 1.00 0.00 O ATOM 480 CB PHE A 33 -9.908 7.381 -2.809 1.00 0.00 C ATOM 481 CG PHE A 33 -10.484 6.804 -4.069 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.747 5.915 -4.832 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.757 7.150 -4.490 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.268 5.380 -5.992 1.00 0.00 C ATOM 485 CE2 PHE A 33 -12.285 6.617 -5.651 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.540 5.731 -6.404 1.00 0.00 C ATOM 0 H PHE A 33 -11.902 5.626 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.854 5.438 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.400 8.330 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.852 7.598 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.753 5.637 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.343 7.843 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.682 4.687 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.279 6.893 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.950 5.314 -7.312 1.00 0.00 H new ATOM 496 N SER A 34 -7.772 6.912 -0.916 1.00 0.00 N ATOM 497 CA SER A 34 -6.712 7.278 0.011 1.00 0.00 C ATOM 498 C SER A 34 -5.407 7.530 -0.732 1.00 0.00 C ATOM 499 O SER A 34 -5.087 6.839 -1.700 1.00 0.00 O ATOM 500 CB SER A 34 -6.514 6.174 1.053 1.00 0.00 C ATOM 501 OG SER A 34 -7.066 4.947 0.609 1.00 0.00 O ATOM 0 H SER A 34 -7.455 6.708 -1.864 1.00 0.00 H new ATOM 0 HA SER A 34 -7.006 8.198 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.450 6.046 1.254 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.983 6.468 1.992 1.00 0.00 H new ATOM 0 HG SER A 34 -6.771 4.769 -0.308 1.00 0.00 H new ATOM 507 N ARG A 35 -4.653 8.519 -0.270 1.00 0.00 N ATOM 508 CA ARG A 35 -3.377 8.855 -0.887 1.00 0.00 C ATOM 509 C ARG A 35 -2.245 8.133 -0.171 1.00 0.00 C ATOM 510 O ARG A 35 -1.735 8.608 0.843 1.00 0.00 O ATOM 511 CB ARG A 35 -3.145 10.366 -0.849 1.00 0.00 C ATOM 512 CG ARG A 35 -1.976 10.822 -1.708 1.00 0.00 C ATOM 513 CD ARG A 35 -0.869 11.437 -0.866 1.00 0.00 C ATOM 514 NE ARG A 35 0.220 11.958 -1.689 1.00 0.00 N ATOM 515 CZ ARG A 35 0.117 13.043 -2.455 1.00 0.00 C ATOM 516 NH1 ARG A 35 -1.019 13.726 -2.501 1.00 0.00 N ATOM 517 NH2 ARG A 35 1.155 13.446 -3.174 1.00 0.00 N ATOM 0 H ARG A 35 -4.903 9.102 0.529 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.399 8.534 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.050 10.873 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.969 10.673 0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.581 9.973 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.324 11.550 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.281 12.242 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.477 10.687 -0.179 1.00 0.00 H new ATOM 0 HE ARG A 35 1.111 11.462 -1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.820 13.421 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.092 14.556 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.032 12.925 -3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.077 14.277 -3.761 1.00 0.00 H new ATOM 531 N VAL A 36 -1.868 6.973 -0.696 1.00 0.00 N ATOM 532 CA VAL A 36 -0.808 6.180 -0.091 1.00 0.00 C ATOM 533 C VAL A 36 0.549 6.472 -0.714 1.00 0.00 C ATOM 534 O VAL A 36 0.659 6.748 -1.908 1.00 0.00 O ATOM 535 CB VAL A 36 -1.093 4.670 -0.197 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.037 3.873 0.553 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.480 4.351 0.336 1.00 0.00 C ATOM 0 H VAL A 36 -2.279 6.563 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.783 6.466 0.960 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.055 4.386 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.255 2.809 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.945 4.078 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.043 4.161 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.664 3.280 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.546 4.651 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.226 4.893 -0.244 1.00 0.00 H new ATOM 547 N GLN A 37 1.576 6.399 0.120 1.00 0.00 N ATOM 548 CA GLN A 37 2.945 6.639 -0.302 1.00 0.00 C ATOM 549 C GLN A 37 3.865 5.611 0.343 1.00 0.00 C ATOM 550 O GLN A 37 3.440 4.869 1.229 1.00 0.00 O ATOM 551 CB GLN A 37 3.367 8.055 0.088 1.00 0.00 C ATOM 552 CG GLN A 37 2.386 9.123 -0.367 1.00 0.00 C ATOM 553 CD GLN A 37 2.996 10.512 -0.391 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.875 10.755 -1.356 1.00 0.00 O flip ATOM 555 NE2 GLN A 37 2.681 11.355 0.448 1.00 0.00 N flip ATOM 0 H GLN A 37 1.482 6.171 1.110 1.00 0.00 H new ATOM 0 HA GLN A 37 3.015 6.542 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.475 8.109 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.347 8.265 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.022 8.874 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.522 9.122 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.001 11.124 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.100 12.284 0.419 1.00 0.00 H new ATOM 564 N ILE A 38 5.118 5.560 -0.089 1.00 0.00 N ATOM 565 CA ILE A 38 6.061 4.610 0.476 1.00 0.00 C ATOM 566 C ILE A 38 7.136 5.340 1.266 1.00 0.00 C ATOM 567 O ILE A 38 7.417 6.507 1.009 1.00 0.00 O ATOM 568 CB ILE A 38 6.693 3.726 -0.621 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.628 2.808 -1.217 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.845 2.894 -0.061 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.114 2.023 -2.410 1.00 0.00 C ATOM 0 H ILE A 38 5.500 6.159 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 38 5.515 3.954 1.154 1.00 0.00 H new ATOM 0 HB ILE A 38 7.093 4.376 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.286 2.114 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.766 3.407 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.271 2.281 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.613 3.557 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.474 2.249 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.308 1.392 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.429 2.711 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.957 1.398 -2.115 1.00 0.00 H new ATOM 583 N TYR A 39 7.718 4.655 2.240 1.00 0.00 N ATOM 584 CA TYR A 39 8.744 5.254 3.079 1.00 0.00 C ATOM 585 C TYR A 39 10.109 4.624 2.839 1.00 0.00 C ATOM 586 O TYR A 39 10.299 3.426 3.052 1.00 0.00 O ATOM 587 CB TYR A 39 8.358 5.116 4.550 1.00 0.00 C ATOM 588 CG TYR A 39 7.539 6.277 5.055 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.460 6.758 4.326 1.00 0.00 C ATOM 590 CD2 TYR A 39 7.851 6.896 6.254 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.714 7.828 4.780 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.113 7.965 6.717 1.00 0.00 C ATOM 593 CZ TYR A 39 6.045 8.429 5.977 1.00 0.00 C ATOM 594 OH TYR A 39 5.305 9.495 6.435 1.00 0.00 O ATOM 0 H TYR A 39 7.497 3.686 2.468 1.00 0.00 H new ATOM 0 HA TYR A 39 8.815 6.309 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.794 4.194 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.263 5.028 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.200 6.288 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.686 6.535 6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.877 8.192 4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.370 8.437 7.654 1.00 0.00 H new ATOM 0 HH TYR A 39 5.668 9.801 7.292 1.00 0.00 H new ATOM 604 N HIS A 40 11.056 5.445 2.401 1.00 0.00 N ATOM 605 CA HIS A 40 12.411 4.982 2.137 1.00 0.00 C ATOM 606 C HIS A 40 13.300 5.194 3.358 1.00 0.00 C ATOM 607 O HIS A 40 13.891 6.260 3.529 1.00 0.00 O ATOM 608 CB HIS A 40 13.002 5.720 0.933 1.00 0.00 C ATOM 609 CG HIS A 40 14.386 5.273 0.575 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.067 4.150 0.906 1.00 0.00 N flip ATOM 611 CD2 HIS A 40 15.238 6.016 -0.215 1.00 0.00 C flip ATOM 612 CE1 HIS A 40 16.303 4.234 0.315 1.00 0.00 C flip ATOM 613 NE2 HIS A 40 16.381 5.369 -0.355 1.00 0.00 N flip ATOM 0 H HIS A 40 10.909 6.438 2.221 1.00 0.00 H new ATOM 0 HA HIS A 40 12.367 3.916 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.349 5.575 0.073 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.018 6.789 1.145 1.00 0.00 H new ATOM 0 HD1 HIS A 40 14.725 3.384 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.007 6.977 -0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.085 3.492 0.386 1.00 0.00 H new ATOM 622 N ASN A 41 13.385 4.173 4.205 1.00 0.00 N ATOM 623 CA ASN A 41 14.202 4.242 5.412 1.00 0.00 C ATOM 624 C ASN A 41 15.520 3.495 5.216 1.00 0.00 C ATOM 625 O ASN A 41 15.623 2.313 5.542 1.00 0.00 O ATOM 626 CB ASN A 41 13.450 3.642 6.601 1.00 0.00 C ATOM 627 CG ASN A 41 12.077 4.256 6.787 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.674 5.143 6.034 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.351 3.788 7.795 1.00 0.00 N ATOM 0 H ASN A 41 12.897 3.286 4.078 1.00 0.00 H new ATOM 0 HA ASN A 41 14.415 5.292 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.347 2.566 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.036 3.788 7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.419 4.164 7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.725 3.052 8.394 1.00 0.00 H new ATOM 636 N PRO A 42 16.546 4.174 4.679 1.00 0.00 N ATOM 637 CA PRO A 42 17.854 3.559 4.445 1.00 0.00 C ATOM 638 C PRO A 42 18.644 3.363 5.733 1.00 0.00 C ATOM 639 O PRO A 42 19.548 2.529 5.793 1.00 0.00 O ATOM 640 CB PRO A 42 18.555 4.566 3.542 1.00 0.00 C ATOM 641 CG PRO A 42 17.957 5.877 3.914 1.00 0.00 C ATOM 642 CD PRO A 42 16.520 5.587 4.256 1.00 0.00 C ATOM 0 HA PRO A 42 17.765 2.562 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.633 4.561 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.389 4.338 2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.480 6.319 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.028 6.587 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.157 6.238 5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.865 5.737 3.398 1.00 0.00 H new ATOM 650 N THR A 43 18.297 4.127 6.767 1.00 0.00 N ATOM 651 CA THR A 43 18.975 4.021 8.055 1.00 0.00 C ATOM 652 C THR A 43 19.069 2.562 8.493 1.00 0.00 C ATOM 653 O THR A 43 20.000 2.169 9.195 1.00 0.00 O ATOM 654 CB THR A 43 18.235 4.839 9.115 1.00 0.00 C ATOM 655 OG1 THR A 43 17.655 5.996 8.541 1.00 0.00 O ATOM 656 CG2 THR A 43 19.125 5.287 10.254 1.00 0.00 C ATOM 0 H THR A 43 17.553 4.824 6.737 1.00 0.00 H new ATOM 0 HA THR A 43 19.984 4.418 7.944 1.00 0.00 H new ATOM 0 HB THR A 43 17.471 4.172 9.514 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.737 5.797 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.538 5.862 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.548 4.414 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 43 19.931 5.909 9.863 1.00 0.00 H new ATOM 664 N ALA A 44 18.096 1.765 8.062 1.00 0.00 N ATOM 665 CA ALA A 44 18.059 0.347 8.394 1.00 0.00 C ATOM 666 C ALA A 44 17.781 -0.504 7.156 1.00 0.00 C ATOM 667 O ALA A 44 17.551 -1.709 7.261 1.00 0.00 O ATOM 668 CB ALA A 44 17.007 0.086 9.460 1.00 0.00 C ATOM 0 H ALA A 44 17.320 2.080 7.480 1.00 0.00 H new ATOM 0 HA ALA A 44 19.038 0.065 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.988 -0.977 9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.248 0.656 10.357 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.029 0.391 9.088 1.00 0.00 H new ATOM 674 N ASN A 45 17.790 0.129 5.983 1.00 0.00 N ATOM 675 CA ASN A 45 17.527 -0.573 4.733 1.00 0.00 C ATOM 676 C ASN A 45 16.140 -1.201 4.773 1.00 0.00 C ATOM 677 O ASN A 45 15.966 -2.383 4.475 1.00 0.00 O ATOM 678 CB ASN A 45 18.594 -1.643 4.482 1.00 0.00 C ATOM 679 CG ASN A 45 19.327 -1.433 3.170 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.558 -1.449 3.125 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.576 -1.234 2.091 1.00 0.00 N ATOM 0 H ASN A 45 17.977 1.126 5.875 1.00 0.00 H new ATOM 0 HA ASN A 45 17.565 0.144 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.312 -1.635 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.125 -2.627 4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 45 19.017 -1.087 1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.559 -1.228 2.171 1.00 0.00 H new ATOM 688 N SER A 46 15.156 -0.397 5.158 1.00 0.00 N ATOM 689 CA SER A 46 13.780 -0.871 5.253 1.00 0.00 C ATOM 690 C SER A 46 12.821 0.058 4.516 1.00 0.00 C ATOM 691 O SER A 46 13.164 1.196 4.194 1.00 0.00 O ATOM 692 CB SER A 46 13.364 -0.990 6.722 1.00 0.00 C ATOM 693 OG SER A 46 11.954 -1.024 6.854 1.00 0.00 O ATOM 0 H SER A 46 15.284 0.583 5.409 1.00 0.00 H new ATOM 0 HA SER A 46 13.731 -1.853 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.794 -1.894 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.764 -0.147 7.286 1.00 0.00 H new ATOM 0 HG SER A 46 11.716 -1.102 7.801 1.00 0.00 H new ATOM 699 N PHE A 47 11.616 -0.439 4.253 1.00 0.00 N ATOM 700 CA PHE A 47 10.601 0.338 3.558 1.00 0.00 C ATOM 701 C PHE A 47 9.256 0.227 4.271 1.00 0.00 C ATOM 702 O PHE A 47 9.096 -0.591 5.178 1.00 0.00 O ATOM 703 CB PHE A 47 10.483 -0.130 2.108 1.00 0.00 C ATOM 704 CG PHE A 47 11.619 0.343 1.248 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.727 1.678 0.904 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.582 -0.543 0.794 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.773 2.126 0.121 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.631 -0.103 0.009 1.00 0.00 C ATOM 709 CZ PHE A 47 13.727 1.234 -0.328 1.00 0.00 C ATOM 0 H PHE A 47 11.320 -1.380 4.513 1.00 0.00 H new ATOM 0 HA PHE A 47 10.900 1.386 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.445 -1.219 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.543 0.231 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.984 2.380 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.512 -1.588 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.845 3.172 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.375 -0.803 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.546 1.580 -0.941 1.00 0.00 H new ATOM 719 N ARG A 48 8.296 1.059 3.876 1.00 0.00 N ATOM 720 CA ARG A 48 6.980 1.046 4.507 1.00 0.00 C ATOM 721 C ARG A 48 5.946 1.803 3.675 1.00 0.00 C ATOM 722 O ARG A 48 6.272 2.772 2.994 1.00 0.00 O ATOM 723 CB ARG A 48 7.081 1.664 5.903 1.00 0.00 C ATOM 724 CG ARG A 48 5.778 1.656 6.682 1.00 0.00 C ATOM 725 CD ARG A 48 5.428 3.039 7.205 1.00 0.00 C ATOM 726 NE ARG A 48 6.086 3.326 8.477 1.00 0.00 N ATOM 727 CZ ARG A 48 5.694 4.284 9.315 1.00 0.00 C ATOM 728 NH1 ARG A 48 4.648 5.046 9.019 1.00 0.00 N ATOM 729 NH2 ARG A 48 6.348 4.480 10.453 1.00 0.00 N ATOM 0 H ARG A 48 8.403 1.745 3.129 1.00 0.00 H new ATOM 0 HA ARG A 48 6.648 0.010 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.836 1.123 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.429 2.693 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.973 1.295 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.858 0.960 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.719 3.789 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.348 3.117 7.330 1.00 0.00 H new ATOM 0 HE ARG A 48 6.893 2.760 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.141 4.899 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.352 5.778 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.152 3.897 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.047 5.214 11.094 1.00 0.00 H new ATOM 743 N VAL A 49 4.694 1.359 3.747 1.00 0.00 N ATOM 744 CA VAL A 49 3.610 2.000 3.014 1.00 0.00 C ATOM 745 C VAL A 49 2.743 2.827 3.958 1.00 0.00 C ATOM 746 O VAL A 49 2.310 2.340 5.002 1.00 0.00 O ATOM 747 CB VAL A 49 2.729 0.962 2.292 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.454 0.393 1.082 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.319 -0.149 3.249 1.00 0.00 C ATOM 0 H VAL A 49 4.406 0.556 4.307 1.00 0.00 H new ATOM 0 HA VAL A 49 4.063 2.653 2.268 1.00 0.00 H new ATOM 0 HB VAL A 49 1.825 1.461 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.816 -0.338 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.691 1.199 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.376 -0.090 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.697 -0.873 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.210 -0.647 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.756 0.276 4.080 1.00 0.00 H new ATOM 759 N VAL A 50 2.503 4.083 3.594 1.00 0.00 N ATOM 760 CA VAL A 50 1.697 4.972 4.424 1.00 0.00 C ATOM 761 C VAL A 50 0.694 5.753 3.584 1.00 0.00 C ATOM 762 O VAL A 50 1.070 6.451 2.643 1.00 0.00 O ATOM 763 CB VAL A 50 2.574 5.968 5.209 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.916 6.331 6.530 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.965 5.398 5.444 1.00 0.00 C ATOM 0 H VAL A 50 2.853 4.507 2.735 1.00 0.00 H new ATOM 0 HA VAL A 50 1.162 4.337 5.130 1.00 0.00 H new ATOM 0 HB VAL A 50 2.675 6.875 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.549 7.035 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.945 6.789 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.781 5.430 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.565 6.119 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.887 4.473 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.441 5.193 4.485 1.00 0.00 H new ATOM 775 N GLY A 51 -0.583 5.632 3.930 1.00 0.00 N ATOM 776 CA GLY A 51 -1.617 6.334 3.195 1.00 0.00 C ATOM 777 C GLY A 51 -2.772 6.765 4.072 1.00 0.00 C ATOM 778 O GLY A 51 -3.127 6.075 5.027 1.00 0.00 O ATOM 0 H GLY A 51 -0.920 5.061 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.183 7.212 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.992 5.690 2.400 1.00 0.00 H new ATOM 782 N ARG A 52 -3.361 7.909 3.743 1.00 0.00 N ATOM 783 CA ARG A 52 -4.489 8.437 4.501 1.00 0.00 C ATOM 784 C ARG A 52 -5.665 8.731 3.578 1.00 0.00 C ATOM 785 O ARG A 52 -5.491 8.900 2.371 1.00 0.00 O ATOM 786 CB ARG A 52 -4.079 9.706 5.248 1.00 0.00 C ATOM 787 CG ARG A 52 -3.563 10.809 4.337 1.00 0.00 C ATOM 788 CD ARG A 52 -3.076 12.008 5.133 1.00 0.00 C ATOM 789 NE ARG A 52 -1.710 11.825 5.619 1.00 0.00 N ATOM 790 CZ ARG A 52 -0.922 12.824 6.008 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.359 14.078 5.971 1.00 0.00 N ATOM 792 NH2 ARG A 52 0.308 12.571 6.436 1.00 0.00 N ATOM 0 H ARG A 52 -3.075 8.490 2.955 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.797 7.684 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.936 10.080 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.307 9.456 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.749 10.424 3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.355 11.121 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.122 12.900 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.742 12.176 5.979 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.339 10.876 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.304 14.279 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.750 14.839 6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.650 11.610 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.912 13.337 6.734 1.00 0.00 H new ATOM 806 N LYS A 53 -6.862 8.790 4.150 1.00 0.00 N ATOM 807 CA LYS A 53 -8.064 9.063 3.372 1.00 0.00 C ATOM 808 C LYS A 53 -8.023 10.472 2.787 1.00 0.00 C ATOM 809 O LYS A 53 -7.128 11.257 3.096 1.00 0.00 O ATOM 810 CB LYS A 53 -9.312 8.890 4.241 1.00 0.00 C ATOM 811 CG LYS A 53 -10.304 7.880 3.684 1.00 0.00 C ATOM 812 CD LYS A 53 -10.607 6.778 4.686 1.00 0.00 C ATOM 813 CE LYS A 53 -11.341 5.618 4.034 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.413 4.519 3.650 1.00 0.00 N ATOM 0 H LYS A 53 -7.026 8.653 5.147 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.105 8.349 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.009 8.577 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.808 9.855 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.229 8.390 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.902 7.441 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.677 6.420 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.211 7.181 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.095 5.233 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.868 5.974 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.962 3.701 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.785 4.845 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.843 4.242 4.474 1.00 0.00 H new ATOM 828 N MET A 54 -8.998 10.783 1.938 1.00 0.00 N ATOM 829 CA MET A 54 -9.071 12.096 1.307 1.00 0.00 C ATOM 830 C MET A 54 -10.223 12.915 1.878 1.00 0.00 C ATOM 831 O MET A 54 -11.007 13.507 1.137 1.00 0.00 O ATOM 832 CB MET A 54 -9.233 11.945 -0.207 1.00 0.00 C ATOM 833 CG MET A 54 -8.200 11.026 -0.836 1.00 0.00 C ATOM 834 SD MET A 54 -7.203 11.851 -2.092 1.00 0.00 S ATOM 835 CE MET A 54 -6.106 10.522 -2.581 1.00 0.00 C ATOM 0 H MET A 54 -9.747 10.144 1.672 1.00 0.00 H new ATOM 0 HA MET A 54 -8.141 12.625 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.230 11.560 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.165 12.928 -0.672 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.545 10.636 -0.057 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.706 10.171 -1.284 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.306 10.921 -3.205 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.677 10.059 -1.692 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.667 9.776 -3.144 1.00 0.00 H new ATOM 845 N GLN A 55 -10.317 12.943 3.202 1.00 0.00 N ATOM 846 CA GLN A 55 -11.372 13.691 3.879 1.00 0.00 C ATOM 847 C GLN A 55 -10.785 14.617 4.941 1.00 0.00 C ATOM 848 O GLN A 55 -9.670 14.402 5.418 1.00 0.00 O ATOM 849 CB GLN A 55 -12.384 12.735 4.519 1.00 0.00 C ATOM 850 CG GLN A 55 -11.766 11.454 5.059 1.00 0.00 C ATOM 851 CD GLN A 55 -12.657 10.758 6.069 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.336 11.405 6.865 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.658 9.430 6.040 1.00 0.00 N ATOM 0 H GLN A 55 -9.676 12.457 3.829 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.885 14.299 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.893 13.252 5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.143 12.477 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.563 10.775 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.808 11.685 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.079 8.934 5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.238 8.906 6.695 1.00 0.00 H new ATOM 862 N PRO A 56 -11.531 15.668 5.325 1.00 0.00 N ATOM 863 CA PRO A 56 -11.079 16.633 6.334 1.00 0.00 C ATOM 864 C PRO A 56 -10.575 15.955 7.604 1.00 0.00 C ATOM 865 O PRO A 56 -9.724 16.495 8.312 1.00 0.00 O ATOM 866 CB PRO A 56 -12.337 17.452 6.628 1.00 0.00 C ATOM 867 CG PRO A 56 -13.143 17.363 5.378 1.00 0.00 C ATOM 868 CD PRO A 56 -12.871 15.999 4.805 1.00 0.00 C ATOM 0 HA PRO A 56 -10.238 17.229 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.882 17.049 7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.090 18.486 6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.205 17.493 5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.859 18.145 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.617 15.272 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.887 16.011 3.715 1.00 0.00 H new ATOM 876 N ASP A 57 -11.102 14.768 7.886 1.00 0.00 N ATOM 877 CA ASP A 57 -10.703 14.018 9.071 1.00 0.00 C ATOM 878 C ASP A 57 -9.252 13.562 8.962 1.00 0.00 C ATOM 879 O ASP A 57 -8.494 13.636 9.929 1.00 0.00 O ATOM 880 CB ASP A 57 -11.618 12.807 9.265 1.00 0.00 C ATOM 881 CG ASP A 57 -12.778 13.103 10.195 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.501 14.091 9.947 1.00 0.00 O ATOM 883 OD2 ASP A 57 -12.965 12.346 11.171 1.00 0.00 O ATOM 0 H ASP A 57 -11.806 14.305 7.311 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.794 14.676 9.936 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.004 12.488 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.037 11.976 9.666 1.00 0.00 H new ATOM 888 N GLN A 58 -8.873 13.092 7.779 1.00 0.00 N ATOM 889 CA GLN A 58 -7.513 12.623 7.544 1.00 0.00 C ATOM 890 C GLN A 58 -7.167 11.463 8.471 1.00 0.00 C ATOM 891 O GLN A 58 -6.826 11.667 9.636 1.00 0.00 O ATOM 892 CB GLN A 58 -6.515 13.766 7.743 1.00 0.00 C ATOM 893 CG GLN A 58 -6.257 14.573 6.482 1.00 0.00 C ATOM 894 CD GLN A 58 -6.921 15.936 6.515 1.00 0.00 C ATOM 895 OE1 GLN A 58 -7.189 16.483 7.584 1.00 0.00 O ATOM 896 NE2 GLN A 58 -7.193 16.489 5.338 1.00 0.00 N ATOM 0 H GLN A 58 -9.488 13.026 6.968 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.451 12.271 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.888 14.432 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.571 13.355 8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.182 14.700 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.621 14.017 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.953 15.999 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.642 17.404 5.296 1.00 0.00 H new ATOM 905 N GLN A 59 -7.258 10.247 7.945 1.00 0.00 N ATOM 906 CA GLN A 59 -6.954 9.051 8.722 1.00 0.00 C ATOM 907 C GLN A 59 -6.109 8.077 7.907 1.00 0.00 C ATOM 908 O GLN A 59 -6.416 7.795 6.749 1.00 0.00 O ATOM 909 CB GLN A 59 -8.249 8.370 9.171 1.00 0.00 C ATOM 910 CG GLN A 59 -9.087 7.838 8.019 1.00 0.00 C ATOM 911 CD GLN A 59 -10.494 7.468 8.443 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.256 8.313 8.913 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.847 6.199 8.277 1.00 0.00 N ATOM 0 H GLN A 59 -7.540 10.063 6.982 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.385 9.350 9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.003 7.546 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.844 9.081 9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.135 8.590 7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.598 6.962 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.183 5.532 7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.782 5.891 8.543 1.00 0.00 H new ATOM 922 N VAL A 60 -5.043 7.567 8.515 1.00 0.00 N ATOM 923 CA VAL A 60 -4.159 6.628 7.836 1.00 0.00 C ATOM 924 C VAL A 60 -4.842 5.280 7.636 1.00 0.00 C ATOM 925 O VAL A 60 -5.257 4.632 8.598 1.00 0.00 O ATOM 926 CB VAL A 60 -2.839 6.430 8.610 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.189 7.775 8.899 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.072 5.657 9.902 1.00 0.00 C ATOM 0 H VAL A 60 -4.771 7.787 9.473 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.927 7.057 6.861 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.164 5.843 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.259 7.620 9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.977 8.286 7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.865 8.384 9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.125 5.532 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.768 6.208 10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.490 4.678 9.670 1.00 0.00 H new ATOM 938 N VAL A 61 -4.959 4.864 6.381 1.00 0.00 N ATOM 939 CA VAL A 61 -5.594 3.596 6.051 1.00 0.00 C ATOM 940 C VAL A 61 -4.562 2.474 5.933 1.00 0.00 C ATOM 941 O VAL A 61 -4.895 1.296 6.067 1.00 0.00 O ATOM 942 CB VAL A 61 -6.395 3.701 4.736 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.315 4.914 4.764 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.461 3.766 3.537 1.00 0.00 C ATOM 0 H VAL A 61 -4.621 5.388 5.574 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.280 3.359 6.864 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.009 2.805 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.871 4.971 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.013 4.822 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.720 5.819 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.048 3.840 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.816 4.640 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.849 2.865 3.504 1.00 0.00 H new ATOM 954 N ILE A 62 -3.310 2.849 5.690 1.00 0.00 N ATOM 955 CA ILE A 62 -2.230 1.880 5.560 1.00 0.00 C ATOM 956 C ILE A 62 -0.982 2.373 6.281 1.00 0.00 C ATOM 957 O ILE A 62 -0.596 3.534 6.146 1.00 0.00 O ATOM 958 CB ILE A 62 -1.888 1.603 4.080 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.913 0.431 3.965 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.304 2.844 3.422 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.004 -0.298 2.641 1.00 0.00 C ATOM 0 H ILE A 62 -3.019 3.820 5.579 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.574 0.951 6.015 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.810 1.340 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.104 0.799 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.106 -0.274 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.070 2.627 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.029 3.656 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.394 3.139 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.285 -1.117 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.011 -0.696 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.781 0.394 1.829 1.00 0.00 H new ATOM 973 N ASN A 63 -0.358 1.492 7.051 1.00 0.00 N ATOM 974 CA ASN A 63 0.842 1.852 7.793 1.00 0.00 C ATOM 975 C ASN A 63 1.630 0.606 8.190 1.00 0.00 C ATOM 976 O ASN A 63 1.792 0.310 9.374 1.00 0.00 O ATOM 977 CB ASN A 63 0.464 2.664 9.035 1.00 0.00 C ATOM 978 CG ASN A 63 -0.412 1.885 9.995 1.00 0.00 C ATOM 979 OD1 ASN A 63 0.081 1.216 10.903 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.724 1.969 9.800 1.00 0.00 N ATOM 0 H ASN A 63 -0.662 0.526 7.178 1.00 0.00 H new ATOM 0 HA ASN A 63 1.477 2.462 7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.372 2.977 9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.057 3.571 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.364 1.467 10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.091 2.535 9.035 1.00 0.00 H new ATOM 987 N CYS A 64 2.118 -0.119 7.189 1.00 0.00 N ATOM 988 CA CYS A 64 2.890 -1.335 7.428 1.00 0.00 C ATOM 989 C CYS A 64 4.251 -1.261 6.743 1.00 0.00 C ATOM 990 O CYS A 64 4.366 -0.771 5.620 1.00 0.00 O ATOM 991 CB CYS A 64 2.120 -2.559 6.927 1.00 0.00 C ATOM 992 SG CYS A 64 2.684 -4.126 7.634 1.00 0.00 S ATOM 0 H CYS A 64 1.993 0.114 6.204 1.00 0.00 H new ATOM 0 HA CYS A 64 3.050 -1.428 8.502 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.062 -2.429 7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.207 -2.610 5.842 1.00 0.00 H new ATOM 0 HG CYS A 64 1.972 -5.101 7.152 1.00 0.00 H new ATOM 998 N ALA A 65 5.281 -1.750 7.429 1.00 0.00 N ATOM 999 CA ALA A 65 6.635 -1.736 6.888 1.00 0.00 C ATOM 1000 C ALA A 65 6.907 -2.975 6.039 1.00 0.00 C ATOM 1001 O ALA A 65 6.342 -4.041 6.279 1.00 0.00 O ATOM 1002 CB ALA A 65 7.652 -1.635 8.014 1.00 0.00 C ATOM 0 H ALA A 65 5.203 -2.160 8.360 1.00 0.00 H new ATOM 0 HA ALA A 65 6.730 -0.861 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.658 -1.626 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.484 -0.716 8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.544 -2.491 8.680 1.00 0.00 H new ATOM 1008 N ILE A 66 7.780 -2.824 5.047 1.00 0.00 N ATOM 1009 CA ILE A 66 8.134 -3.929 4.162 1.00 0.00 C ATOM 1010 C ILE A 66 9.647 -4.062 4.036 1.00 0.00 C ATOM 1011 O ILE A 66 10.363 -3.063 3.973 1.00 0.00 O ATOM 1012 CB ILE A 66 7.531 -3.757 2.747 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.125 -2.305 2.494 1.00 0.00 C ATOM 1014 CG2 ILE A 66 6.334 -4.680 2.567 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.006 -1.971 1.025 1.00 0.00 C ATOM 0 H ILE A 66 8.255 -1.947 4.836 1.00 0.00 H new ATOM 0 HA ILE A 66 7.718 -4.830 4.613 1.00 0.00 H new ATOM 0 HB ILE A 66 8.296 -4.025 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.171 -2.110 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.860 -1.643 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.920 -4.548 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.650 -5.715 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.573 -4.438 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.715 -0.927 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.966 -2.136 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.251 -2.610 0.567 1.00 0.00 H new ATOM 1027 N VAL A 67 10.128 -5.300 3.992 1.00 0.00 N ATOM 1028 CA VAL A 67 11.556 -5.550 3.867 1.00 0.00 C ATOM 1029 C VAL A 67 11.836 -6.881 3.181 1.00 0.00 C ATOM 1030 O VAL A 67 11.592 -7.947 3.746 1.00 0.00 O ATOM 1031 CB VAL A 67 12.262 -5.540 5.231 1.00 0.00 C ATOM 1032 CG1 VAL A 67 12.314 -4.129 5.798 1.00 0.00 C ATOM 1033 CG2 VAL A 67 11.572 -6.490 6.201 1.00 0.00 C ATOM 0 H VAL A 67 9.552 -6.140 4.041 1.00 0.00 H new ATOM 0 HA VAL A 67 11.950 -4.738 3.256 1.00 0.00 H new ATOM 0 HB VAL A 67 13.286 -5.886 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.818 -4.144 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.861 -3.482 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.300 -3.750 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.088 -6.468 7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.536 -6.180 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.598 -7.503 5.799 1.00 0.00 H new ATOM 1043 N ARG A 68 12.365 -6.794 1.963 1.00 0.00 N ATOM 1044 CA ARG A 68 12.716 -7.968 1.155 1.00 0.00 C ATOM 1045 C ARG A 68 11.872 -9.190 1.510 1.00 0.00 C ATOM 1046 O ARG A 68 12.400 -10.286 1.707 1.00 0.00 O ATOM 1047 CB ARG A 68 14.198 -8.297 1.335 1.00 0.00 C ATOM 1048 CG ARG A 68 14.539 -8.797 2.730 1.00 0.00 C ATOM 1049 CD ARG A 68 15.764 -8.096 3.294 1.00 0.00 C ATOM 1050 NE ARG A 68 16.871 -9.023 3.521 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.628 -9.525 2.547 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.405 -9.187 1.283 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.611 -10.365 2.839 1.00 0.00 N ATOM 0 H ARG A 68 12.565 -5.906 1.503 1.00 0.00 H new ATOM 0 HA ARG A 68 12.511 -7.719 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.486 -9.054 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.789 -7.406 1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.689 -8.634 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.717 -9.872 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.082 -7.313 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.502 -7.608 4.233 1.00 0.00 H new ATOM 0 HE ARG A 68 17.076 -9.301 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.651 -8.540 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.988 -9.574 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.787 -10.626 3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.191 -10.750 2.094 1.00 0.00 H new ATOM 1067 N GLY A 69 10.564 -8.996 1.599 1.00 0.00 N ATOM 1068 CA GLY A 69 9.682 -10.095 1.942 1.00 0.00 C ATOM 1069 C GLY A 69 8.340 -10.024 1.241 1.00 0.00 C ATOM 1070 O GLY A 69 7.702 -11.051 1.015 1.00 0.00 O ATOM 0 H GLY A 69 10.099 -8.102 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.169 -11.036 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.522 -10.101 3.020 1.00 0.00 H new ATOM 1074 N VAL A 70 7.900 -8.816 0.904 1.00 0.00 N ATOM 1075 CA VAL A 70 6.621 -8.640 0.238 1.00 0.00 C ATOM 1076 C VAL A 70 6.800 -8.442 -1.265 1.00 0.00 C ATOM 1077 O VAL A 70 7.705 -7.735 -1.710 1.00 0.00 O ATOM 1078 CB VAL A 70 5.847 -7.448 0.846 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.884 -6.838 -0.154 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.095 -7.886 2.088 1.00 0.00 C ATOM 0 H VAL A 70 8.410 -7.950 1.081 1.00 0.00 H new ATOM 0 HA VAL A 70 6.041 -9.550 0.393 1.00 0.00 H new ATOM 0 HB VAL A 70 6.577 -6.686 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.358 -6.003 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.438 -6.481 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.162 -7.591 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.555 -7.036 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.387 -8.673 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.802 -8.265 2.827 1.00 0.00 H new ATOM 1090 N LYS A 71 5.923 -9.074 -2.036 1.00 0.00 N ATOM 1091 CA LYS A 71 5.959 -8.978 -3.490 1.00 0.00 C ATOM 1092 C LYS A 71 4.602 -8.539 -4.032 1.00 0.00 C ATOM 1093 O LYS A 71 3.627 -9.289 -3.973 1.00 0.00 O ATOM 1094 CB LYS A 71 6.358 -10.323 -4.101 1.00 0.00 C ATOM 1095 CG LYS A 71 6.860 -10.215 -5.534 1.00 0.00 C ATOM 1096 CD LYS A 71 5.942 -10.941 -6.505 1.00 0.00 C ATOM 1097 CE LYS A 71 6.121 -12.448 -6.421 1.00 0.00 C ATOM 1098 NZ LYS A 71 5.160 -13.171 -7.300 1.00 0.00 N ATOM 0 H LYS A 71 5.173 -9.663 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 71 6.702 -8.230 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.135 -10.776 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.499 -10.994 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.932 -9.165 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.865 -10.633 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.905 -10.684 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.147 -10.605 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.140 -12.709 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.985 -12.773 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.314 -14.196 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.187 -12.942 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.307 -12.880 -8.288 1.00 0.00 H new ATOM 1112 N TYR A 72 4.545 -7.317 -4.554 1.00 0.00 N ATOM 1113 CA TYR A 72 3.307 -6.769 -5.101 1.00 0.00 C ATOM 1114 C TYR A 72 2.664 -7.731 -6.098 1.00 0.00 C ATOM 1115 O TYR A 72 3.333 -8.266 -6.982 1.00 0.00 O ATOM 1116 CB TYR A 72 3.583 -5.422 -5.776 1.00 0.00 C ATOM 1117 CG TYR A 72 3.260 -4.225 -4.907 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.254 -4.332 -3.521 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.968 -2.986 -5.471 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.966 -3.246 -2.723 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.680 -1.891 -4.677 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.680 -2.027 -3.302 1.00 0.00 C ATOM 1123 OH TYR A 72 2.396 -0.941 -2.507 1.00 0.00 O ATOM 0 H TYR A 72 5.344 -6.686 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 72 2.610 -6.625 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.634 -5.378 -6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.000 -5.360 -6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.479 -5.283 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.966 -2.878 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.964 -3.349 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.457 -0.936 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 72 1.709 -0.391 -2.938 1.00 0.00 H new ATOM 1133 N ASN A 73 1.361 -7.945 -5.944 1.00 0.00 N ATOM 1134 CA ASN A 73 0.621 -8.840 -6.825 1.00 0.00 C ATOM 1135 C ASN A 73 -0.541 -8.107 -7.490 1.00 0.00 C ATOM 1136 O ASN A 73 -1.611 -7.956 -6.901 1.00 0.00 O ATOM 1137 CB ASN A 73 0.099 -10.045 -6.039 1.00 0.00 C ATOM 1138 CG ASN A 73 0.660 -11.358 -6.552 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.402 -12.046 -5.852 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.307 -11.711 -7.782 1.00 0.00 N ATOM 0 H ASN A 73 0.795 -7.509 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 73 1.299 -9.190 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.358 -9.929 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.989 -10.070 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.653 -12.583 -8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.311 -11.110 -8.328 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.323 -7.653 -8.720 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.352 -6.935 -9.464 1.00 0.00 C ATOM 1149 C GLN A 74 -2.529 -7.850 -9.788 1.00 0.00 C ATOM 1150 O GLN A 74 -2.447 -8.691 -10.683 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.769 -6.357 -10.755 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.658 -5.312 -11.409 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.127 -5.726 -12.791 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -3.103 -6.626 -12.839 1.00 0.00 O flip ATOM 1155 NE2 GLN A 74 -1.620 -5.241 -13.802 1.00 0.00 N flip ATOM 0 H GLN A 74 0.557 -7.769 -9.223 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.712 -6.118 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.202 -5.912 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.597 -7.169 -11.461 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.525 -5.130 -10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.113 -4.371 -11.481 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.872 -4.552 -13.717 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.947 -5.528 -14.724 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.624 -7.677 -9.054 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.819 -8.486 -9.263 1.00 0.00 C ATOM 1166 C ALA A 75 -5.547 -8.068 -10.537 1.00 0.00 C ATOM 1167 O ALA A 75 -6.129 -8.899 -11.233 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.745 -8.373 -8.062 1.00 0.00 C ATOM 0 H ALA A 75 -3.708 -6.984 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.512 -9.526 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.634 -8.981 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.228 -8.725 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.038 -7.332 -7.925 1.00 0.00 H new ATOM 1174 N THR A 76 -5.509 -6.773 -10.833 1.00 0.00 N ATOM 1175 CA THR A 76 -6.163 -6.239 -12.022 1.00 0.00 C ATOM 1176 C THR A 76 -5.423 -5.004 -12.531 1.00 0.00 C ATOM 1177 O THR A 76 -4.483 -4.531 -11.893 1.00 0.00 O ATOM 1178 CB THR A 76 -7.626 -5.891 -11.717 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.738 -4.569 -11.217 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.269 -6.818 -10.705 1.00 0.00 C ATOM 0 H THR A 76 -5.032 -6.073 -10.265 1.00 0.00 H new ATOM 0 HA THR A 76 -6.140 -7.003 -12.799 1.00 0.00 H new ATOM 0 HB THR A 76 -8.147 -6.000 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.679 -4.368 -11.031 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.302 -6.513 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.249 -7.840 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.719 -6.768 -9.765 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.834 -4.460 -13.691 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.196 -3.274 -14.272 1.00 0.00 C ATOM 1190 C PRO A 77 -5.092 -2.124 -13.275 1.00 0.00 C ATOM 1191 O PRO A 77 -4.230 -1.255 -13.403 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.127 -2.900 -15.428 1.00 0.00 C ATOM 1193 CG PRO A 77 -6.789 -4.180 -15.804 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.948 -4.953 -14.524 1.00 0.00 C ATOM 0 HA PRO A 77 -4.170 -3.473 -14.582 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.857 -2.150 -15.123 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.570 -2.480 -16.266 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.756 -3.997 -16.272 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.187 -4.735 -16.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.914 -4.764 -14.057 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.880 -6.028 -14.692 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.974 -2.125 -12.280 1.00 0.00 N ATOM 1203 CA ASN A 78 -5.978 -1.083 -11.261 1.00 0.00 C ATOM 1204 C ASN A 78 -6.261 -1.670 -9.881 1.00 0.00 C ATOM 1205 O ASN A 78 -7.326 -1.444 -9.305 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.017 -0.012 -11.600 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.396 -0.597 -11.831 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.578 -1.476 -12.675 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.378 -0.110 -11.082 1.00 0.00 N ATOM 0 H ASN A 78 -6.695 -2.836 -12.158 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.989 -0.624 -11.242 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.065 0.714 -10.788 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.700 0.528 -12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.328 -0.464 -11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.182 0.618 -10.395 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.299 -2.422 -9.354 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.441 -3.039 -8.040 1.00 0.00 C ATOM 1218 C PHE A 79 -4.141 -3.713 -7.612 1.00 0.00 C ATOM 1219 O PHE A 79 -3.570 -4.512 -8.355 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.581 -4.059 -8.053 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.240 -4.236 -6.715 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.660 -5.032 -5.742 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.439 -3.603 -6.431 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -7.265 -5.196 -4.510 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -9.048 -3.761 -5.202 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.461 -4.559 -4.239 1.00 0.00 C ATOM 0 H PHE A 79 -4.412 -2.619 -9.818 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.675 -2.254 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.330 -3.746 -8.780 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.194 -5.021 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.724 -5.530 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.903 -2.978 -7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.803 -5.821 -3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.982 -3.261 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.936 -4.685 -3.277 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.678 -3.385 -6.409 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.445 -3.955 -5.879 1.00 0.00 C ATOM 1238 C HIS A 80 -2.724 -4.775 -4.624 1.00 0.00 C ATOM 1239 O HIS A 80 -3.630 -4.456 -3.853 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.437 -2.848 -5.580 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.791 -2.294 -6.811 1.00 0.00 C ATOM 1242 ND1 HIS A 80 -1.063 -2.498 -8.123 1.00 0.00 N flip ATOM 1243 CD2 HIS A 80 0.264 -1.408 -6.778 1.00 0.00 C flip ATOM 1244 CE1 HIS A 80 -0.180 -1.738 -8.847 1.00 0.00 C flip ATOM 1245 NE2 HIS A 80 0.608 -1.089 -8.011 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.140 -2.726 -5.782 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.022 -4.620 -6.632 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.940 -2.041 -5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.665 -3.237 -4.916 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -1.790 -3.105 -8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.736 -1.033 -5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.137 -1.680 -9.925 1.00 0.00 H new ATOM 1254 N GLN A 81 -1.949 -5.836 -4.428 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.126 -6.705 -3.269 1.00 0.00 C ATOM 1256 C GLN A 81 -0.826 -7.428 -2.924 1.00 0.00 C ATOM 1257 O GLN A 81 -0.115 -7.903 -3.810 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.241 -7.721 -3.547 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.234 -8.920 -2.611 1.00 0.00 C ATOM 1260 CD GLN A 81 -2.458 -10.095 -3.174 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -1.570 -10.639 -2.518 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -2.792 -10.493 -4.396 1.00 0.00 N ATOM 0 H GLN A 81 -1.194 -6.115 -5.054 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.406 -6.089 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.205 -7.218 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.149 -8.074 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.800 -8.627 -1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.261 -9.228 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.535 -10.013 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.306 -11.279 -4.827 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.524 -7.515 -1.630 1.00 0.00 N ATOM 1272 CA TRP A 82 0.688 -8.188 -1.178 1.00 0.00 C ATOM 1273 C TRP A 82 0.483 -8.894 0.156 1.00 0.00 C ATOM 1274 O TRP A 82 -0.186 -8.380 1.052 1.00 0.00 O ATOM 1275 CB TRP A 82 1.845 -7.200 -1.045 1.00 0.00 C ATOM 1276 CG TRP A 82 1.517 -5.964 -0.260 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.870 -5.699 1.034 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.782 -4.820 -0.717 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.416 -4.457 1.402 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.741 -3.900 0.349 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.157 -4.479 -1.922 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.104 -2.667 0.246 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.475 -3.257 -2.021 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.496 -2.362 -0.943 1.00 0.00 C ATOM 0 H TRP A 82 -1.099 -7.130 -0.881 1.00 0.00 H new ATOM 0 HA TRP A 82 0.929 -8.935 -1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.686 -7.705 -0.569 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.172 -6.906 -2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.425 -6.369 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.558 -4.020 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.169 -5.161 -2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.085 -1.976 1.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.962 -2.985 -2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.997 -1.412 -1.054 1.00 0.00 H new ATOM 1295 N ARG A 83 1.097 -10.066 0.286 1.00 0.00 N ATOM 1296 CA ARG A 83 1.025 -10.845 1.515 1.00 0.00 C ATOM 1297 C ARG A 83 2.343 -10.715 2.269 1.00 0.00 C ATOM 1298 O ARG A 83 3.377 -11.200 1.810 1.00 0.00 O ATOM 1299 CB ARG A 83 0.729 -12.316 1.205 1.00 0.00 C ATOM 1300 CG ARG A 83 0.844 -13.235 2.415 1.00 0.00 C ATOM 1301 CD ARG A 83 -0.495 -13.855 2.782 1.00 0.00 C ATOM 1302 NE ARG A 83 -0.884 -14.913 1.852 1.00 0.00 N ATOM 1303 CZ ARG A 83 -1.782 -15.853 2.133 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -2.385 -15.874 3.316 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -2.079 -16.777 1.231 1.00 0.00 N ATOM 0 H ARG A 83 1.654 -10.499 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 83 0.214 -10.463 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.278 -12.396 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.417 -12.660 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.565 -14.025 2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.229 -12.671 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.441 -14.262 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.262 -13.081 2.791 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.441 -14.932 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.160 -15.166 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.073 -16.598 3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.619 -16.768 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.768 -17.498 1.447 1.00 0.00 H new ATOM 1319 N ASP A 84 2.308 -10.039 3.409 1.00 0.00 N ATOM 1320 CA ASP A 84 3.515 -9.831 4.199 1.00 0.00 C ATOM 1321 C ASP A 84 3.677 -10.907 5.274 1.00 0.00 C ATOM 1322 O ASP A 84 4.248 -11.967 5.016 1.00 0.00 O ATOM 1323 CB ASP A 84 3.490 -8.429 4.821 1.00 0.00 C ATOM 1324 CG ASP A 84 4.572 -8.224 5.867 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.755 -8.111 5.482 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.234 -8.176 7.068 1.00 0.00 O ATOM 0 H ASP A 84 1.463 -9.627 3.806 1.00 0.00 H new ATOM 0 HA ASP A 84 4.378 -9.910 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.609 -7.686 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.515 -8.257 5.277 1.00 0.00 H new ATOM 1331 N ALA A 85 3.188 -10.631 6.478 1.00 0.00 N ATOM 1332 CA ALA A 85 3.299 -11.579 7.580 1.00 0.00 C ATOM 1333 C ALA A 85 2.282 -12.705 7.449 1.00 0.00 C ATOM 1334 O ALA A 85 2.637 -13.850 7.172 1.00 0.00 O ATOM 1335 CB ALA A 85 3.125 -10.863 8.911 1.00 0.00 C ATOM 0 H ALA A 85 2.712 -9.761 6.715 1.00 0.00 H new ATOM 0 HA ALA A 85 4.294 -12.021 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.210 -11.583 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.897 -10.101 9.018 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.143 -10.392 8.945 1.00 0.00 H new ATOM 1341 N ARG A 86 1.014 -12.371 7.655 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.062 -13.356 7.566 1.00 0.00 C ATOM 1343 C ARG A 86 -1.309 -12.770 6.904 1.00 0.00 C ATOM 1344 O ARG A 86 -2.266 -13.490 6.624 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.415 -13.882 8.961 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.622 -14.812 8.980 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.383 -16.022 9.872 1.00 0.00 C ATOM 1348 NE ARG A 86 -2.147 -15.947 11.115 1.00 0.00 N ATOM 1349 CZ ARG A 86 -1.768 -15.239 12.177 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -0.638 -14.542 12.153 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -2.522 -15.228 13.268 1.00 0.00 N ATOM 0 H ARG A 86 0.704 -11.427 7.885 1.00 0.00 H new ATOM 0 HA ARG A 86 0.295 -14.178 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.446 -14.411 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.610 -13.036 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.497 -14.266 9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.842 -15.145 7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.656 -16.929 9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.321 -16.097 10.104 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.022 -16.468 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.054 -14.547 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.354 -14.002 12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.391 -15.762 13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.233 -14.686 14.082 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.297 -11.465 6.652 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.430 -10.809 6.024 1.00 0.00 C ATOM 1367 C GLN A 87 -2.101 -10.429 4.590 1.00 0.00 C ATOM 1368 O GLN A 87 -1.081 -10.845 4.040 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.845 -9.563 6.822 1.00 0.00 C ATOM 1370 CG GLN A 87 -1.950 -8.349 6.601 1.00 0.00 C ATOM 1371 CD GLN A 87 -0.557 -8.534 7.170 1.00 0.00 C ATOM 1372 OE1 GLN A 87 0.440 -8.328 6.479 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -0.482 -8.924 8.436 1.00 0.00 N ATOM 0 H GLN A 87 -0.517 -10.846 6.873 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.265 -11.509 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.868 -9.299 6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.847 -9.810 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.877 -8.147 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.412 -7.475 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.335 -9.083 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.429 -9.065 8.873 1.00 0.00 H new ATOM 1382 N VAL A 88 -2.968 -9.628 3.997 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.775 -9.175 2.631 1.00 0.00 C ATOM 1384 C VAL A 88 -3.244 -7.738 2.488 1.00 0.00 C ATOM 1385 O VAL A 88 -4.409 -7.429 2.737 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.525 -10.059 1.615 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.780 -10.089 0.292 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.716 -11.469 2.158 1.00 0.00 C ATOM 0 H VAL A 88 -3.816 -9.277 4.442 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.709 -9.245 2.416 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.512 -9.628 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.321 -10.717 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.703 -9.077 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.780 -10.495 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.248 -12.073 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.743 -11.916 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.295 -11.428 3.081 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.332 -6.861 2.099 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.654 -5.453 1.944 1.00 0.00 C ATOM 1400 C TRP A 89 -3.066 -5.150 0.515 1.00 0.00 C ATOM 1401 O TRP A 89 -2.236 -5.108 -0.394 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.456 -4.597 2.342 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.357 -4.363 3.817 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.653 -5.110 4.716 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -1.981 -3.314 4.565 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.802 -4.591 5.978 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.613 -3.488 5.913 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.814 -2.245 4.227 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.051 -2.631 6.920 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.249 -1.396 5.227 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.867 -1.593 6.559 1.00 0.00 C ATOM 0 H TRP A 89 -1.364 -7.100 1.885 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.493 -5.215 2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.542 -5.080 1.996 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -1.520 -3.636 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.065 -5.982 4.471 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.378 -4.966 6.827 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.113 -2.085 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.757 -2.780 7.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.894 -0.567 4.977 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.223 -0.912 7.318 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.361 -4.946 0.330 1.00 0.00 N ATOM 1423 CA GLY A 90 -4.886 -4.653 -0.991 1.00 0.00 C ATOM 1424 C GLY A 90 -5.297 -3.211 -1.146 1.00 0.00 C ATOM 1425 O GLY A 90 -5.272 -2.450 -0.182 1.00 0.00 O ATOM 0 H GLY A 90 -5.061 -4.978 1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.131 -4.894 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.745 -5.295 -1.187 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.679 -2.836 -2.361 1.00 0.00 N ATOM 1430 CA LEU A 91 -6.112 -1.471 -2.636 1.00 0.00 C ATOM 1431 C LEU A 91 -6.552 -1.305 -4.085 1.00 0.00 C ATOM 1432 O LEU A 91 -5.923 -1.826 -5.006 1.00 0.00 O ATOM 1433 CB LEU A 91 -4.999 -0.474 -2.312 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.817 -0.476 -3.278 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.232 0.920 -3.400 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -2.762 -1.462 -2.811 1.00 0.00 C ATOM 0 H LEU A 91 -5.698 -3.457 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.969 -1.267 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.427 0.528 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.627 -0.684 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.167 -0.786 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.390 0.902 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.995 1.603 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.890 1.258 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.924 -1.455 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.412 -1.177 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.192 -2.463 -2.771 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.636 -0.564 -4.274 1.00 0.00 N ATOM 1449 CA ASN A 92 -8.171 -0.303 -5.607 1.00 0.00 C ATOM 1450 C ASN A 92 -7.811 1.107 -6.057 1.00 0.00 C ATOM 1451 O ASN A 92 -8.162 2.086 -5.401 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.690 -0.479 -5.625 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.219 -0.832 -7.003 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -9.870 -0.028 -8.006 1.00 0.00 O flip ATOM 1455 ND2 ASN A 92 -10.936 -1.820 -7.168 1.00 0.00 N flip ATOM 0 H ASN A 92 -8.165 -0.130 -3.518 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.727 -1.021 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.970 -1.262 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.163 0.441 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.181 -2.411 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.285 -2.047 -8.099 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.110 1.206 -7.179 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.701 2.502 -7.706 1.00 0.00 C ATOM 1464 C PHE A 93 -7.788 3.131 -8.564 1.00 0.00 C ATOM 1465 O PHE A 93 -8.689 2.448 -9.051 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.418 2.359 -8.519 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.314 1.671 -7.771 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.414 2.396 -7.004 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.179 0.296 -7.831 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.402 1.758 -6.313 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -3.171 -0.346 -7.145 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.281 0.384 -6.385 1.00 0.00 C ATOM 0 H PHE A 93 -6.813 0.408 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.523 3.160 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.634 1.800 -9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.078 3.348 -8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.505 3.471 -6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.873 -0.282 -8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.707 2.332 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.078 -1.420 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.491 -0.118 -5.847 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.689 4.443 -8.745 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.664 5.158 -9.547 1.00 0.00 C ATOM 1484 C GLY A 94 -8.464 4.932 -11.033 1.00 0.00 C ATOM 1485 O GLY A 94 -9.413 5.005 -11.813 1.00 0.00 O ATOM 0 H GLY A 94 -6.950 5.025 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.667 4.839 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.596 6.224 -9.332 1.00 0.00 H new ATOM 1489 N SER A 95 -7.225 4.652 -11.423 1.00 0.00 N ATOM 1490 CA SER A 95 -6.899 4.410 -12.823 1.00 0.00 C ATOM 1491 C SER A 95 -5.562 3.685 -12.950 1.00 0.00 C ATOM 1492 O SER A 95 -4.827 3.544 -11.974 1.00 0.00 O ATOM 1493 CB SER A 95 -6.852 5.732 -13.595 1.00 0.00 C ATOM 1494 OG SER A 95 -8.067 5.960 -14.288 1.00 0.00 O ATOM 0 H SER A 95 -6.429 4.587 -10.788 1.00 0.00 H new ATOM 0 HA SER A 95 -7.678 3.778 -13.249 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.664 6.554 -12.904 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.023 5.714 -14.303 1.00 0.00 H new ATOM 0 HG SER A 95 -8.822 5.709 -13.716 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.256 3.227 -14.159 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.008 2.515 -14.412 1.00 0.00 C ATOM 1502 C LYS A 96 -2.801 3.388 -14.076 1.00 0.00 C ATOM 1503 O LYS A 96 -1.726 2.878 -13.763 1.00 0.00 O ATOM 1504 CB LYS A 96 -3.940 2.069 -15.875 1.00 0.00 C ATOM 1505 CG LYS A 96 -3.856 3.221 -16.862 1.00 0.00 C ATOM 1506 CD LYS A 96 -2.413 3.561 -17.198 1.00 0.00 C ATOM 1507 CE LYS A 96 -2.322 4.463 -18.418 1.00 0.00 C ATOM 1508 NZ LYS A 96 -2.140 3.683 -19.673 1.00 0.00 N ATOM 0 H LYS A 96 -5.854 3.336 -14.978 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.984 1.635 -13.769 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.072 1.424 -16.009 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.821 1.470 -16.104 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.392 2.960 -17.775 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.350 4.098 -16.443 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.946 4.053 -16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.855 2.643 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.228 5.065 -18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.489 5.155 -18.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.082 4.335 -20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.263 3.128 -19.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.948 3.041 -19.803 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.985 4.703 -14.146 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.906 5.640 -13.851 1.00 0.00 C ATOM 1524 C GLU A 97 -1.539 5.601 -12.372 1.00 0.00 C ATOM 1525 O GLU A 97 -0.367 5.487 -12.017 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.309 7.059 -14.260 1.00 0.00 C ATOM 1527 CG GLU A 97 -3.386 7.673 -13.379 1.00 0.00 C ATOM 1528 CD GLU A 97 -3.940 8.963 -13.950 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -3.240 9.995 -13.875 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -5.075 8.943 -14.471 1.00 0.00 O ATOM 0 H GLU A 97 -3.868 5.143 -14.404 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.030 5.342 -14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.426 7.698 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.663 7.043 -15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.198 6.957 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.974 7.866 -12.388 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.547 5.689 -11.511 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.321 5.654 -10.072 1.00 0.00 C ATOM 1539 C ASP A 98 -1.645 4.346 -9.681 1.00 0.00 C ATOM 1540 O ASP A 98 -0.577 4.341 -9.068 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.646 5.804 -9.321 1.00 0.00 C ATOM 1542 CG ASP A 98 -3.995 7.254 -9.049 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.131 7.983 -8.519 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.133 7.660 -9.366 1.00 0.00 O ATOM 0 H ASP A 98 -3.525 5.785 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.670 6.485 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.445 5.344 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.588 5.264 -8.376 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.276 3.239 -10.052 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.744 1.915 -9.757 1.00 0.00 C ATOM 1551 C ALA A 99 -0.333 1.747 -10.311 1.00 0.00 C ATOM 1552 O ALA A 99 0.472 0.993 -9.764 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.667 0.845 -10.322 1.00 0.00 C ATOM 0 H ALA A 99 -3.161 3.232 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.690 1.805 -8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.261 -0.141 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.655 0.942 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.747 0.967 -11.402 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.037 2.452 -11.398 1.00 0.00 N ATOM 1560 CA ALA A 100 1.279 2.375 -12.021 1.00 0.00 C ATOM 1561 C ALA A 100 2.329 3.097 -11.182 1.00 0.00 C ATOM 1562 O ALA A 100 3.499 2.716 -11.169 1.00 0.00 O ATOM 1563 CB ALA A 100 1.231 2.956 -13.425 1.00 0.00 C ATOM 0 H ALA A 100 -0.689 3.082 -11.865 1.00 0.00 H new ATOM 0 HA ALA A 100 1.563 1.325 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.220 2.892 -13.879 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.518 2.393 -14.028 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.920 4.000 -13.376 1.00 0.00 H new ATOM 1569 N GLN A 101 1.900 4.143 -10.483 1.00 0.00 N ATOM 1570 CA GLN A 101 2.802 4.923 -9.643 1.00 0.00 C ATOM 1571 C GLN A 101 3.077 4.211 -8.321 1.00 0.00 C ATOM 1572 O GLN A 101 4.218 4.164 -7.855 1.00 0.00 O ATOM 1573 CB GLN A 101 2.205 6.305 -9.373 1.00 0.00 C ATOM 1574 CG GLN A 101 3.204 7.299 -8.804 1.00 0.00 C ATOM 1575 CD GLN A 101 4.362 7.566 -9.745 1.00 0.00 C ATOM 1576 OE1 GLN A 101 5.471 6.868 -9.530 1.00 0.00 O flip ATOM 1577 NE2 GLN A 101 4.261 8.388 -10.655 1.00 0.00 N flip ATOM 0 H GLN A 101 0.934 4.470 -10.482 1.00 0.00 H new ATOM 0 HA GLN A 101 3.747 5.034 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.798 6.703 -10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.372 6.202 -8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.694 8.237 -8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.590 6.919 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.389 8.902 -10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.049 8.555 -11.281 1.00 0.00 H new ATOM 1586 N PHE A 102 2.025 3.664 -7.720 1.00 0.00 N ATOM 1587 CA PHE A 102 2.152 2.961 -6.448 1.00 0.00 C ATOM 1588 C PHE A 102 3.206 1.858 -6.529 1.00 0.00 C ATOM 1589 O PHE A 102 4.050 1.732 -5.643 1.00 0.00 O ATOM 1590 CB PHE A 102 0.802 2.379 -6.022 1.00 0.00 C ATOM 1591 CG PHE A 102 0.720 2.093 -4.551 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.103 3.054 -3.632 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.267 0.867 -4.085 1.00 0.00 C ATOM 1594 CE1 PHE A 102 1.035 2.804 -2.276 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.198 0.611 -2.730 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.583 1.580 -1.824 1.00 0.00 C ATOM 0 H PHE A 102 1.076 3.694 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 102 2.476 3.681 -5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.010 3.077 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.620 1.458 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.460 4.012 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.035 0.106 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.335 3.564 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.157 -0.347 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.531 1.381 -0.764 1.00 0.00 H new ATOM 1606 N ALA A 103 3.159 1.070 -7.598 1.00 0.00 N ATOM 1607 CA ALA A 103 4.121 -0.011 -7.789 1.00 0.00 C ATOM 1608 C ALA A 103 5.492 0.546 -8.147 1.00 0.00 C ATOM 1609 O ALA A 103 6.520 -0.058 -7.841 1.00 0.00 O ATOM 1610 CB ALA A 103 3.646 -0.961 -8.875 1.00 0.00 C ATOM 0 H ALA A 103 2.468 1.158 -8.343 1.00 0.00 H new ATOM 0 HA ALA A 103 4.203 -0.561 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.376 -1.760 -9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.685 -1.389 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.536 -0.416 -9.813 1.00 0.00 H new ATOM 1616 N ALA A 104 5.498 1.704 -8.798 1.00 0.00 N ATOM 1617 CA ALA A 104 6.739 2.354 -9.203 1.00 0.00 C ATOM 1618 C ALA A 104 7.741 2.387 -8.054 1.00 0.00 C ATOM 1619 O ALA A 104 8.807 1.770 -8.122 1.00 0.00 O ATOM 1620 CB ALA A 104 6.455 3.766 -9.694 1.00 0.00 C ATOM 0 H ALA A 104 4.653 2.214 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 104 7.176 1.775 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.389 4.242 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.778 3.725 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.994 4.344 -8.893 1.00 0.00 H new ATOM 1626 N GLY A 105 7.385 3.102 -6.995 1.00 0.00 N ATOM 1627 CA GLY A 105 8.257 3.195 -5.840 1.00 0.00 C ATOM 1628 C GLY A 105 8.407 1.867 -5.136 1.00 0.00 C ATOM 1629 O GLY A 105 9.520 1.429 -4.845 1.00 0.00 O ATOM 0 H GLY A 105 6.509 3.619 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.238 3.552 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.858 3.932 -5.143 1.00 0.00 H new ATOM 1633 N MET A 106 7.278 1.222 -4.868 1.00 0.00 N ATOM 1634 CA MET A 106 7.273 -0.070 -4.200 1.00 0.00 C ATOM 1635 C MET A 106 8.256 -1.021 -4.866 1.00 0.00 C ATOM 1636 O MET A 106 9.203 -1.492 -4.239 1.00 0.00 O ATOM 1637 CB MET A 106 5.869 -0.668 -4.226 1.00 0.00 C ATOM 1638 CG MET A 106 5.805 -2.071 -3.660 1.00 0.00 C ATOM 1639 SD MET A 106 5.722 -2.082 -1.864 1.00 0.00 S ATOM 1640 CE MET A 106 5.755 -3.840 -1.575 1.00 0.00 C ATOM 0 H MET A 106 6.351 1.576 -5.105 1.00 0.00 H new ATOM 0 HA MET A 106 7.579 0.076 -3.164 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.197 -0.024 -3.659 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.506 -0.681 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.932 -2.584 -4.065 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.682 -2.631 -3.984 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.856 -4.137 -1.035 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.795 -4.365 -2.529 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.634 -4.095 -0.983 1.00 0.00 H new ATOM 1650 N ALA A 107 8.022 -1.295 -6.143 1.00 0.00 N ATOM 1651 CA ALA A 107 8.888 -2.183 -6.912 1.00 0.00 C ATOM 1652 C ALA A 107 10.353 -1.852 -6.649 1.00 0.00 C ATOM 1653 O ALA A 107 11.197 -2.744 -6.558 1.00 0.00 O ATOM 1654 CB ALA A 107 8.576 -2.073 -8.397 1.00 0.00 C ATOM 0 H ALA A 107 7.237 -0.914 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 107 8.702 -3.209 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.230 -2.741 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.537 -2.352 -8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.737 -1.047 -8.728 1.00 0.00 H new ATOM 1660 N SER A 108 10.640 -0.561 -6.507 1.00 0.00 N ATOM 1661 CA SER A 108 11.995 -0.108 -6.228 1.00 0.00 C ATOM 1662 C SER A 108 12.411 -0.538 -4.826 1.00 0.00 C ATOM 1663 O SER A 108 13.564 -0.899 -4.588 1.00 0.00 O ATOM 1664 CB SER A 108 12.089 1.413 -6.361 1.00 0.00 C ATOM 1665 OG SER A 108 13.332 1.801 -6.921 1.00 0.00 O ATOM 0 H SER A 108 9.951 0.188 -6.581 1.00 0.00 H new ATOM 0 HA SER A 108 12.670 -0.562 -6.954 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.275 1.777 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.968 1.875 -5.381 1.00 0.00 H new ATOM 0 HG SER A 108 13.366 2.777 -6.997 1.00 0.00 H new ATOM 1671 N ALA A 109 11.454 -0.507 -3.900 1.00 0.00 N ATOM 1672 CA ALA A 109 11.707 -0.907 -2.521 1.00 0.00 C ATOM 1673 C ALA A 109 12.047 -2.387 -2.445 1.00 0.00 C ATOM 1674 O ALA A 109 13.062 -2.772 -1.871 1.00 0.00 O ATOM 1675 CB ALA A 109 10.499 -0.600 -1.644 1.00 0.00 C ATOM 0 H ALA A 109 10.496 -0.208 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 109 12.559 -0.336 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.707 -0.906 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.294 0.470 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.631 -1.145 -2.016 1.00 0.00 H new ATOM 1681 N LEU A 110 11.191 -3.212 -3.038 1.00 0.00 N ATOM 1682 CA LEU A 110 11.395 -4.656 -3.045 1.00 0.00 C ATOM 1683 C LEU A 110 12.667 -5.022 -3.806 1.00 0.00 C ATOM 1684 O LEU A 110 13.193 -6.126 -3.662 1.00 0.00 O ATOM 1685 CB LEU A 110 10.189 -5.364 -3.678 1.00 0.00 C ATOM 1686 CG LEU A 110 8.819 -4.748 -3.364 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.742 -5.352 -4.254 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.469 -4.938 -1.893 1.00 0.00 C ATOM 0 H LEU A 110 10.347 -2.904 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 110 11.500 -4.986 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.323 -5.375 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.185 -6.402 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 110 8.871 -3.678 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.778 -4.902 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.984 -5.160 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.692 -6.428 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.494 -4.494 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.438 -6.003 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.224 -4.453 -1.274 1.00 0.00 H new ATOM 1700 N GLU A 111 13.151 -4.091 -4.621 1.00 0.00 N ATOM 1701 CA GLU A 111 14.352 -4.311 -5.415 1.00 0.00 C ATOM 1702 C GLU A 111 15.594 -3.774 -4.713 1.00 0.00 C ATOM 1703 O GLU A 111 16.705 -4.255 -4.939 1.00 0.00 O ATOM 1704 CB GLU A 111 14.198 -3.638 -6.772 1.00 0.00 C ATOM 1705 CG GLU A 111 13.481 -4.504 -7.785 1.00 0.00 C ATOM 1706 CD GLU A 111 13.728 -4.066 -9.214 1.00 0.00 C ATOM 1707 OE1 GLU A 111 14.857 -3.623 -9.513 1.00 0.00 O ATOM 1708 OE2 GLU A 111 12.792 -4.164 -10.036 1.00 0.00 O ATOM 0 H GLU A 111 12.727 -3.172 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 111 14.478 -5.386 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.650 -2.704 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.184 -3.380 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.805 -5.538 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.410 -4.480 -7.583 1.00 0.00 H new ATOM 1715 N ALA A 112 15.396 -2.790 -3.849 1.00 0.00 N ATOM 1716 CA ALA A 112 16.497 -2.199 -3.100 1.00 0.00 C ATOM 1717 C ALA A 112 16.593 -2.835 -1.726 1.00 0.00 C ATOM 1718 O ALA A 112 17.437 -2.467 -0.908 1.00 0.00 O ATOM 1719 CB ALA A 112 16.312 -0.694 -2.974 1.00 0.00 C ATOM 0 H ALA A 112 14.483 -2.383 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 112 17.425 -2.386 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.144 -0.271 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.281 -0.247 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.378 -0.485 -2.453 1.00 0.00 H new ATOM 1725 N LEU A 113 15.710 -3.792 -1.482 1.00 0.00 N ATOM 1726 CA LEU A 113 15.666 -4.493 -0.217 1.00 0.00 C ATOM 1727 C LEU A 113 16.078 -5.950 -0.407 1.00 0.00 C ATOM 1728 O LEU A 113 16.700 -6.551 0.469 1.00 0.00 O ATOM 1729 CB LEU A 113 14.253 -4.395 0.357 1.00 0.00 C ATOM 1730 CG LEU A 113 14.127 -3.676 1.706 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.474 -4.617 2.849 1.00 0.00 C ATOM 1732 CD2 LEU A 113 15.017 -2.440 1.744 1.00 0.00 C ATOM 0 H LEU A 113 15.008 -4.100 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 113 16.367 -4.037 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.622 -3.880 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.855 -5.404 0.466 1.00 0.00 H new ATOM 0 HG LEU A 113 13.092 -3.356 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.379 -4.088 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.794 -5.469 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.499 -4.970 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.912 -1.946 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.056 -2.735 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.721 -1.754 0.951 1.00 0.00 H new ATOM 1744 N GLU A 114 15.736 -6.505 -1.567 1.00 0.00 N ATOM 1745 CA GLU A 114 16.077 -7.884 -1.888 1.00 0.00 C ATOM 1746 C GLU A 114 17.465 -7.961 -2.516 1.00 0.00 C ATOM 1747 O GLU A 114 18.188 -8.939 -2.331 1.00 0.00 O ATOM 1748 CB GLU A 114 15.041 -8.482 -2.843 1.00 0.00 C ATOM 1749 CG GLU A 114 13.785 -8.977 -2.147 1.00 0.00 C ATOM 1750 CD GLU A 114 13.721 -10.489 -2.063 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.377 -11.126 -3.080 1.00 0.00 O ATOM 1752 OE2 GLU A 114 14.016 -11.037 -0.979 1.00 0.00 O ATOM 0 H GLU A 114 15.222 -6.018 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 114 16.078 -8.459 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.764 -7.730 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.496 -9.311 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.743 -8.559 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.909 -8.609 -2.682 1.00 0.00 H new ATOM 1759 N GLY A 115 17.829 -6.922 -3.263 1.00 0.00 N ATOM 1760 CA GLY A 115 19.129 -6.891 -3.908 1.00 0.00 C ATOM 1761 C GLY A 115 19.032 -7.046 -5.413 1.00 0.00 C ATOM 1762 O GLY A 115 19.790 -6.358 -6.130 1.00 0.00 O ATOM 1763 OXT GLY A 115 18.200 -7.854 -5.876 1.00 0.00 O ATOM 0 H GLY A 115 17.247 -6.102 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.625 -5.949 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.752 -7.689 -3.503 1.00 0.00 H new