USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 634 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 18 THR OG1 : rot -22:sc= 1.32 USER MOD Set 1.2: A 21 THR OG1 : rot 135:sc= 2.33 USER MOD Single : A 0 GLY N :NH3+ 165:sc= 2.01 (180deg=1.02) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.115 (180deg=-0.528) USER MOD Single : A 6 TYR OH : rot -124:sc= 0.903 USER MOD Single : A 8 CYS SG : rot 14:sc= 0.767 USER MOD Single : A 17 THR OG1 : rot -147:sc= 0.416 USER MOD Single : A 20 GLN : amide:sc= 1.18 K(o=1.2,f=-0.073) USER MOD Single : A 27 SER OG : rot 73:sc= 1.22 USER MOD Single : A 28 GLN : amide:sc= -0.866 K(o=-0.87,f=0) USER MOD Single : A 35 SER OG : rot 31:sc= 0.221 USER MOD Single : A 36 LYS NZ :NH3+ -102:sc= 0.689 (180deg=-1.72!) USER MOD Single : A 39 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.1) USER MOD Single : A 43 THR OG1 : rot -69:sc= 0.643 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0081 USER MOD Single : A 53 THR OG1 : rot 80:sc= -0.256 USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= 0.819! (180deg=0.295) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 1.76 (180deg=1.42) USER MOD Single : A 60 MET CE :methyl 164:sc= -0.239 (180deg=-0.935) USER MOD Single : A 67 MET CE :methyl -148:sc= -0.553 (180deg=-1.57) USER MOD Single : A 68 ASN : amide:sc= 0.641 K(o=0.64,f=-6.6!) USER MOD Single : A 70 GLN : amide:sc= 0.237 X(o=0.24,f=-0.0088) USER MOD Single : A 76 ASN : amide:sc= 0.744 K(o=0.74,f=-6.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.18) USER MOD Single : A 83 GLN : amide:sc= 1.28 K(o=1.3,f=-0.0074) USER MOD Single : A 84 SER OG : rot 180:sc= 0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 17.780 1.299 3.577 1.00 0.00 N ATOM 2 CA GLY A 0 18.877 0.688 2.823 1.00 0.00 C ATOM 3 C GLY A 0 20.046 1.628 2.677 1.00 0.00 C ATOM 4 O GLY A 0 20.921 1.680 3.531 1.00 0.00 O ATOM 0 H1 GLY A 0 16.913 0.740 3.444 1.00 0.00 H new ATOM 0 H2 GLY A 0 18.025 1.323 4.588 1.00 0.00 H new ATOM 0 H3 GLY A 0 17.622 2.269 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 0 19.203 -0.222 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 0 18.521 0.395 1.836 1.00 0.00 H new ATOM 10 N MET A 1 20.048 2.365 1.580 1.00 0.00 N ATOM 11 CA MET A 1 21.082 3.349 1.265 1.00 0.00 C ATOM 12 C MET A 1 20.403 4.452 0.438 1.00 0.00 C ATOM 13 O MET A 1 21.027 5.214 -0.288 1.00 0.00 O ATOM 14 CB MET A 1 22.224 2.665 0.472 1.00 0.00 C ATOM 15 CG MET A 1 23.456 3.542 0.221 1.00 0.00 C ATOM 16 SD MET A 1 24.770 2.679 -0.681 1.00 0.00 S ATOM 17 CE MET A 1 25.196 1.375 0.473 1.00 0.00 C ATOM 0 H MET A 1 19.321 2.299 0.868 1.00 0.00 H new ATOM 0 HA MET A 1 21.526 3.777 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.537 1.772 1.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.831 2.334 -0.489 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.157 4.426 -0.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.848 3.890 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.175 0.969 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.223 1.779 1.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.449 0.583 0.419 1.00 0.00 H new ATOM 27 N ALA A 2 19.110 4.538 0.630 1.00 0.00 N ATOM 28 CA ALA A 2 18.235 5.440 -0.077 1.00 0.00 C ATOM 29 C ALA A 2 16.990 5.519 0.746 1.00 0.00 C ATOM 30 O ALA A 2 16.078 4.705 0.605 1.00 0.00 O ATOM 31 CB ALA A 2 17.926 4.939 -1.492 1.00 0.00 C ATOM 0 H ALA A 2 18.619 3.958 1.310 1.00 0.00 H new ATOM 0 HA ALA A 2 18.700 6.418 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.264 5.646 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.854 4.849 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.440 3.965 -1.435 1.00 0.00 H new ATOM 37 N GLU A 3 16.993 6.442 1.656 1.00 0.00 N ATOM 38 CA GLU A 3 15.971 6.517 2.648 1.00 0.00 C ATOM 39 C GLU A 3 15.041 7.634 2.253 1.00 0.00 C ATOM 40 O GLU A 3 15.190 8.781 2.672 1.00 0.00 O ATOM 41 CB GLU A 3 16.590 6.759 4.043 1.00 0.00 C ATOM 42 CG GLU A 3 17.854 5.911 4.359 1.00 0.00 C ATOM 43 CD GLU A 3 17.687 4.396 4.206 1.00 0.00 C ATOM 44 OE1 GLU A 3 17.913 3.864 3.092 1.00 0.00 O ATOM 45 OE2 GLU A 3 17.376 3.703 5.201 1.00 0.00 O1- ATOM 0 H GLU A 3 17.707 7.166 1.731 1.00 0.00 H new ATOM 0 HA GLU A 3 15.417 5.580 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.848 7.814 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.834 6.552 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.662 6.238 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.166 6.123 5.382 1.00 0.00 H new ATOM 52 N VAL A 4 14.157 7.302 1.374 1.00 0.00 N ATOM 53 CA VAL A 4 13.264 8.229 0.740 1.00 0.00 C ATOM 54 C VAL A 4 11.880 7.613 0.758 1.00 0.00 C ATOM 55 O VAL A 4 11.763 6.392 0.876 1.00 0.00 O ATOM 56 CB VAL A 4 13.759 8.492 -0.733 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.744 9.254 -1.584 1.00 0.00 C ATOM 58 CG2 VAL A 4 15.058 9.276 -0.711 1.00 0.00 C ATOM 0 H VAL A 4 14.027 6.340 1.061 1.00 0.00 H new ATOM 0 HA VAL A 4 13.239 9.187 1.260 1.00 0.00 H new ATOM 0 HB VAL A 4 13.900 7.511 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.147 9.402 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.818 8.682 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.541 10.223 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.393 9.453 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.898 10.231 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.817 8.707 -0.174 1.00 0.00 H new ATOM 68 N GLU A 5 10.844 8.435 0.697 1.00 0.00 N ATOM 69 CA GLU A 5 9.510 7.922 0.716 1.00 0.00 C ATOM 70 C GLU A 5 9.182 7.175 -0.579 1.00 0.00 C ATOM 71 O GLU A 5 8.985 7.773 -1.644 1.00 0.00 O ATOM 72 CB GLU A 5 8.443 9.003 1.041 1.00 0.00 C ATOM 73 CG GLU A 5 8.356 10.170 0.061 1.00 0.00 C ATOM 74 CD GLU A 5 7.139 11.038 0.301 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.995 10.537 0.130 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 7.293 12.233 0.648 1.00 0.00 O ATOM 0 H GLU A 5 10.914 9.451 0.635 1.00 0.00 H new ATOM 0 HA GLU A 5 9.470 7.206 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.467 8.520 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.649 9.402 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.256 10.780 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.328 9.784 -0.958 1.00 0.00 H new ATOM 83 N TYR A 6 9.198 5.885 -0.495 1.00 0.00 N ATOM 84 CA TYR A 6 8.803 5.074 -1.581 1.00 0.00 C ATOM 85 C TYR A 6 7.383 4.673 -1.407 1.00 0.00 C ATOM 86 O TYR A 6 7.046 3.750 -0.666 1.00 0.00 O ATOM 87 CB TYR A 6 9.744 3.903 -1.855 1.00 0.00 C ATOM 88 CG TYR A 6 10.982 4.306 -2.639 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.880 5.185 -3.721 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.237 3.792 -2.342 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.983 5.530 -4.463 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.329 4.151 -3.080 1.00 0.00 C ATOM 93 CZ TYR A 6 13.204 5.011 -4.130 1.00 0.00 C ATOM 94 OH TYR A 6 14.306 5.310 -4.879 1.00 0.00 O ATOM 0 H TYR A 6 9.488 5.369 0.336 1.00 0.00 H new ATOM 0 HA TYR A 6 8.880 5.669 -2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.049 3.460 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.206 3.133 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.917 5.600 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.351 3.102 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.887 6.204 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.300 3.750 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 6 14.720 4.481 -5.197 1.00 0.00 H new ATOM 104 N ARG A 7 6.557 5.421 -2.045 1.00 0.00 N ATOM 105 CA ARG A 7 5.152 5.298 -1.931 1.00 0.00 C ATOM 106 C ARG A 7 4.652 4.266 -2.922 1.00 0.00 C ATOM 107 O ARG A 7 4.957 4.315 -4.101 1.00 0.00 O ATOM 108 CB ARG A 7 4.528 6.677 -2.144 1.00 0.00 C ATOM 109 CG ARG A 7 3.039 6.772 -1.856 1.00 0.00 C ATOM 110 CD ARG A 7 2.585 8.237 -1.781 1.00 0.00 C ATOM 111 NE ARG A 7 3.336 8.976 -0.744 1.00 0.00 N ATOM 112 CZ ARG A 7 3.018 9.013 0.564 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.846 8.523 0.996 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.861 9.558 1.423 1.00 0.00 N ATOM 0 H ARG A 7 6.853 6.161 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 7 4.863 4.948 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.050 7.394 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.701 6.979 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.480 6.254 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.814 6.269 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.730 8.716 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.518 8.279 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 7 4.159 9.499 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.187 8.118 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.614 8.556 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.745 9.947 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.628 9.590 2.416 1.00 0.00 H new ATOM 128 N CYS A 8 3.939 3.323 -2.431 1.00 0.00 N ATOM 129 CA CYS A 8 3.425 2.259 -3.221 1.00 0.00 C ATOM 130 C CYS A 8 1.913 2.401 -3.314 1.00 0.00 C ATOM 131 O CYS A 8 1.258 2.824 -2.348 1.00 0.00 O ATOM 132 CB CYS A 8 3.813 0.930 -2.566 1.00 0.00 C ATOM 133 SG CYS A 8 3.394 -0.541 -3.508 1.00 0.00 S ATOM 0 H CYS A 8 3.688 3.264 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 8 3.839 2.287 -4.229 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.888 0.933 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.327 0.868 -1.592 1.00 0.00 H new ATOM 0 HG CYS A 8 3.086 -0.204 -4.725 1.00 0.00 H new ATOM 139 N PHE A 9 1.377 2.086 -4.463 1.00 0.00 N ATOM 140 CA PHE A 9 -0.037 2.167 -4.705 1.00 0.00 C ATOM 141 C PHE A 9 -0.613 0.776 -4.623 1.00 0.00 C ATOM 142 O PHE A 9 -0.167 -0.134 -5.343 1.00 0.00 O ATOM 143 CB PHE A 9 -0.299 2.793 -6.100 1.00 0.00 C ATOM 144 CG PHE A 9 -1.751 2.832 -6.544 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.336 1.734 -7.162 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.514 3.967 -6.364 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.650 1.771 -7.583 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.828 4.011 -6.782 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.398 2.912 -7.392 1.00 0.00 C ATOM 0 H PHE A 9 1.917 1.762 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.515 2.802 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.089 3.812 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.273 2.235 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.754 0.837 -7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.077 4.833 -5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.090 0.908 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.412 4.907 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.427 2.946 -7.718 1.00 0.00 H new ATOM 159 N VAL A 10 -1.557 0.587 -3.743 1.00 0.00 N ATOM 160 CA VAL A 10 -2.207 -0.681 -3.625 1.00 0.00 C ATOM 161 C VAL A 10 -3.686 -0.477 -3.879 1.00 0.00 C ATOM 162 O VAL A 10 -4.379 0.185 -3.107 1.00 0.00 O ATOM 163 CB VAL A 10 -2.000 -1.319 -2.221 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.598 -2.717 -2.173 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.525 -1.363 -1.846 1.00 0.00 C ATOM 0 H VAL A 10 -1.892 1.301 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.772 -1.365 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.516 -0.692 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.443 -3.145 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.667 -2.663 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.114 -3.346 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.414 -1.814 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.020 -1.957 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.124 -0.350 -1.829 1.00 0.00 H new ATOM 175 N GLY A 11 -4.153 -1.033 -4.948 1.00 0.00 N ATOM 176 CA GLY A 11 -5.521 -0.907 -5.320 1.00 0.00 C ATOM 177 C GLY A 11 -6.174 -2.241 -5.428 1.00 0.00 C ATOM 178 O GLY A 11 -5.493 -3.253 -5.612 1.00 0.00 O ATOM 0 H GLY A 11 -3.591 -1.591 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.047 -0.300 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.595 -0.385 -6.274 1.00 0.00 H new ATOM 182 N GLY A 12 -7.470 -2.262 -5.306 1.00 0.00 N ATOM 183 CA GLY A 12 -8.179 -3.500 -5.381 1.00 0.00 C ATOM 184 C GLY A 12 -8.206 -4.151 -4.039 1.00 0.00 C ATOM 185 O GLY A 12 -7.862 -5.308 -3.897 1.00 0.00 O ATOM 0 H GLY A 12 -8.052 -1.438 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.196 -3.326 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.701 -4.160 -6.105 1.00 0.00 H new ATOM 189 N LEU A 13 -8.584 -3.380 -3.054 1.00 0.00 N ATOM 190 CA LEU A 13 -8.661 -3.844 -1.693 1.00 0.00 C ATOM 191 C LEU A 13 -10.063 -4.350 -1.409 1.00 0.00 C ATOM 192 O LEU A 13 -10.963 -4.246 -2.265 1.00 0.00 O ATOM 193 CB LEU A 13 -8.321 -2.700 -0.735 1.00 0.00 C ATOM 194 CG LEU A 13 -6.948 -2.047 -0.913 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.770 -0.912 0.061 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.839 -3.058 -0.739 1.00 0.00 C ATOM 0 H LEU A 13 -8.850 -2.403 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.947 -4.655 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.083 -1.928 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.390 -3.077 0.285 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.896 -1.652 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.788 -0.461 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.542 -0.162 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.851 -1.291 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.875 -2.567 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.893 -3.489 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.948 -3.849 -1.481 1.00 0.00 H new ATOM 208 N ALA A 14 -10.260 -4.893 -0.239 1.00 0.00 N ATOM 209 CA ALA A 14 -11.544 -5.380 0.159 1.00 0.00 C ATOM 210 C ALA A 14 -12.257 -4.300 0.940 1.00 0.00 C ATOM 211 O ALA A 14 -11.666 -3.278 1.280 1.00 0.00 O ATOM 212 CB ALA A 14 -11.397 -6.634 1.010 1.00 0.00 C ATOM 0 H ALA A 14 -9.530 -5.009 0.464 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.125 -5.637 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.384 -6.992 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.888 -7.407 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.814 -6.402 1.901 1.00 0.00 H new ATOM 218 N TRP A 15 -13.513 -4.531 1.246 1.00 0.00 N ATOM 219 CA TRP A 15 -14.299 -3.582 2.012 1.00 0.00 C ATOM 220 C TRP A 15 -13.860 -3.658 3.482 1.00 0.00 C ATOM 221 O TRP A 15 -14.036 -2.729 4.251 1.00 0.00 O ATOM 222 CB TRP A 15 -15.792 -3.931 1.859 1.00 0.00 C ATOM 223 CG TRP A 15 -16.745 -2.915 2.420 1.00 0.00 C ATOM 224 CD1 TRP A 15 -17.192 -2.828 3.702 1.00 0.00 C ATOM 225 CD2 TRP A 15 -17.391 -1.856 1.698 1.00 0.00 C ATOM 226 NE1 TRP A 15 -18.062 -1.771 3.830 1.00 0.00 N ATOM 227 CE2 TRP A 15 -18.204 -1.162 2.613 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.356 -1.426 0.367 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -18.974 -0.063 2.242 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.122 -0.337 -0.001 1.00 0.00 C ATOM 231 CH2 TRP A 15 -18.921 0.332 0.934 1.00 0.00 C ATOM 0 H TRP A 15 -14.019 -5.374 0.975 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.144 -2.565 1.651 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.011 -4.065 0.800 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.977 -4.888 2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.905 -3.493 4.503 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.526 -1.487 4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.741 -1.936 -0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -19.590 0.458 2.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -18.104 0.004 -1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.509 1.180 0.615 1.00 0.00 H new ATOM 242 N ALA A 16 -13.245 -4.776 3.831 1.00 0.00 N ATOM 243 CA ALA A 16 -12.785 -5.017 5.182 1.00 0.00 C ATOM 244 C ALA A 16 -11.317 -4.633 5.343 1.00 0.00 C ATOM 245 O ALA A 16 -10.788 -4.671 6.449 1.00 0.00 O ATOM 246 CB ALA A 16 -12.996 -6.478 5.553 1.00 0.00 C ATOM 0 H ALA A 16 -13.052 -5.540 3.183 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.369 -4.391 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.647 -6.649 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.057 -6.720 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.436 -7.112 4.866 1.00 0.00 H new ATOM 252 N THR A 17 -10.673 -4.253 4.245 1.00 0.00 N ATOM 253 CA THR A 17 -9.280 -3.891 4.291 1.00 0.00 C ATOM 254 C THR A 17 -9.102 -2.579 5.026 1.00 0.00 C ATOM 255 O THR A 17 -9.631 -1.534 4.619 1.00 0.00 O ATOM 256 CB THR A 17 -8.665 -3.778 2.878 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.821 -5.024 2.188 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.176 -3.443 2.959 1.00 0.00 C ATOM 0 H THR A 17 -11.100 -4.191 3.321 1.00 0.00 H new ATOM 0 HA THR A 17 -8.758 -4.686 4.824 1.00 0.00 H new ATOM 0 HB THR A 17 -9.180 -2.981 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.057 -5.165 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.765 -3.369 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.045 -2.492 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.656 -4.229 3.506 1.00 0.00 H new ATOM 266 N THR A 18 -8.381 -2.635 6.094 1.00 0.00 N ATOM 267 CA THR A 18 -8.121 -1.482 6.862 1.00 0.00 C ATOM 268 C THR A 18 -6.709 -1.043 6.581 1.00 0.00 C ATOM 269 O THR A 18 -5.894 -1.834 6.103 1.00 0.00 O ATOM 270 CB THR A 18 -8.277 -1.767 8.376 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.356 -2.791 8.788 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.701 -2.194 8.713 1.00 0.00 C ATOM 0 H THR A 18 -7.957 -3.490 6.454 1.00 0.00 H new ATOM 0 HA THR A 18 -8.836 -0.704 6.593 1.00 0.00 H new ATOM 0 HB THR A 18 -8.057 -0.844 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.088 -3.323 8.009 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.779 -2.387 9.783 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.394 -1.400 8.436 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.949 -3.101 8.162 1.00 0.00 H new ATOM 280 N ASP A 19 -6.402 0.197 6.850 1.00 0.00 N ATOM 281 CA ASP A 19 -5.036 0.658 6.702 1.00 0.00 C ATOM 282 C ASP A 19 -4.136 0.072 7.739 1.00 0.00 C ATOM 283 O ASP A 19 -2.922 0.018 7.559 1.00 0.00 O ATOM 284 CB ASP A 19 -4.894 2.164 6.575 1.00 0.00 C ATOM 285 CG ASP A 19 -5.756 2.985 7.491 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.441 3.166 8.662 1.00 0.00 O ATOM 287 OD2 ASP A 19 -6.757 3.555 7.005 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.065 0.903 7.169 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.703 0.277 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.852 2.428 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.120 2.445 5.546 1.00 0.00 H new ATOM 292 N GLN A 20 -4.740 -0.393 8.809 1.00 0.00 N ATOM 293 CA GLN A 20 -4.025 -1.099 9.835 1.00 0.00 C ATOM 294 C GLN A 20 -3.517 -2.417 9.239 1.00 0.00 C ATOM 295 O GLN A 20 -2.316 -2.615 9.138 1.00 0.00 O ATOM 296 CB GLN A 20 -4.934 -1.405 11.014 1.00 0.00 C ATOM 297 CG GLN A 20 -4.185 -1.890 12.240 1.00 0.00 C ATOM 298 CD GLN A 20 -5.086 -2.584 13.223 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.687 -1.960 14.096 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.150 -3.878 13.116 1.00 0.00 N ATOM 0 H GLN A 20 -5.739 -0.290 8.988 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.198 -0.483 10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.497 -0.508 11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.660 -2.162 10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.393 -2.573 11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.704 -1.042 12.728 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.635 -4.355 12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.716 -4.417 13.772 1.00 0.00 H new ATOM 309 N THR A 21 -4.453 -3.264 8.750 1.00 0.00 N ATOM 310 CA THR A 21 -4.103 -4.569 8.168 1.00 0.00 C ATOM 311 C THR A 21 -3.182 -4.404 6.956 1.00 0.00 C ATOM 312 O THR A 21 -2.263 -5.209 6.728 1.00 0.00 O ATOM 313 CB THR A 21 -5.370 -5.421 7.808 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.316 -4.658 7.005 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.061 -5.919 9.070 1.00 0.00 C ATOM 0 H THR A 21 -5.453 -3.062 8.750 1.00 0.00 H new ATOM 0 HA THR A 21 -3.559 -5.122 8.934 1.00 0.00 H new ATOM 0 HB THR A 21 -5.029 -6.275 7.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.628 -5.208 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.937 -6.507 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.371 -6.539 9.642 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.370 -5.067 9.676 1.00 0.00 H new ATOM 323 N LEU A 22 -3.420 -3.334 6.206 1.00 0.00 N ATOM 324 CA LEU A 22 -2.596 -2.953 5.077 1.00 0.00 C ATOM 325 C LEU A 22 -1.155 -2.713 5.563 1.00 0.00 C ATOM 326 O LEU A 22 -0.206 -3.321 5.063 1.00 0.00 O ATOM 327 CB LEU A 22 -3.162 -1.660 4.461 1.00 0.00 C ATOM 328 CG LEU A 22 -2.533 -1.164 3.162 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.838 -2.113 2.016 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.023 0.241 2.840 1.00 0.00 C ATOM 0 H LEU A 22 -4.203 -2.701 6.372 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.596 -3.744 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.227 -1.810 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.072 -0.866 5.203 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.452 -1.133 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.379 -1.738 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.437 -3.100 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.917 -2.183 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.566 0.582 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.107 0.232 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.747 0.917 3.649 1.00 0.00 H new ATOM 342 N GLY A 23 -1.022 -1.864 6.571 1.00 0.00 N ATOM 343 CA GLY A 23 0.270 -1.534 7.124 1.00 0.00 C ATOM 344 C GLY A 23 0.962 -2.732 7.746 1.00 0.00 C ATOM 345 O GLY A 23 2.143 -2.963 7.483 1.00 0.00 O ATOM 0 H GLY A 23 -1.805 -1.391 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.903 -1.121 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.150 -0.756 7.878 1.00 0.00 H new ATOM 349 N GLU A 24 0.216 -3.510 8.534 1.00 0.00 N ATOM 350 CA GLU A 24 0.734 -4.697 9.230 1.00 0.00 C ATOM 351 C GLU A 24 1.387 -5.660 8.249 1.00 0.00 C ATOM 352 O GLU A 24 2.535 -6.076 8.440 1.00 0.00 O ATOM 353 CB GLU A 24 -0.392 -5.411 9.996 1.00 0.00 C ATOM 354 CG GLU A 24 -0.994 -4.593 11.132 1.00 0.00 C ATOM 355 CD GLU A 24 -2.187 -5.271 11.781 1.00 0.00 C ATOM 356 OE1 GLU A 24 -1.984 -6.112 12.665 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -3.343 -4.950 11.401 1.00 0.00 O ATOM 0 H GLU A 24 -0.773 -3.335 8.710 1.00 0.00 H new ATOM 0 HA GLU A 24 1.488 -4.364 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.183 -5.674 9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.004 -6.345 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.230 -4.413 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.300 -3.619 10.749 1.00 0.00 H new ATOM 364 N ALA A 25 0.673 -5.952 7.173 1.00 0.00 N ATOM 365 CA ALA A 25 1.140 -6.864 6.143 1.00 0.00 C ATOM 366 C ALA A 25 2.453 -6.384 5.515 1.00 0.00 C ATOM 367 O ALA A 25 3.398 -7.154 5.356 1.00 0.00 O ATOM 368 CB ALA A 25 0.071 -7.026 5.077 1.00 0.00 C ATOM 0 H ALA A 25 -0.251 -5.561 6.990 1.00 0.00 H new ATOM 0 HA ALA A 25 1.335 -7.830 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.426 -7.711 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.836 -7.427 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.146 -6.056 4.629 1.00 0.00 H new ATOM 374 N PHE A 26 2.528 -5.104 5.205 1.00 0.00 N ATOM 375 CA PHE A 26 3.708 -4.569 4.551 1.00 0.00 C ATOM 376 C PHE A 26 4.859 -4.284 5.512 1.00 0.00 C ATOM 377 O PHE A 26 6.003 -4.113 5.079 1.00 0.00 O ATOM 378 CB PHE A 26 3.391 -3.354 3.700 1.00 0.00 C ATOM 379 CG PHE A 26 2.538 -3.657 2.484 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.115 -4.135 1.327 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.174 -3.460 2.500 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.348 -4.410 0.209 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.402 -3.732 1.389 1.00 0.00 C ATOM 384 CZ PHE A 26 0.990 -4.206 0.242 1.00 0.00 C ATOM 0 H PHE A 26 1.794 -4.421 5.393 1.00 0.00 H new ATOM 0 HA PHE A 26 4.051 -5.362 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.878 -2.616 4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.326 -2.900 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.182 -4.297 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.702 -3.087 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.817 -4.785 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.666 -3.572 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.388 -4.417 -0.629 1.00 0.00 H new ATOM 394 N SER A 27 4.577 -4.280 6.811 1.00 0.00 N ATOM 395 CA SER A 27 5.615 -4.058 7.822 1.00 0.00 C ATOM 396 C SER A 27 6.590 -5.237 7.855 1.00 0.00 C ATOM 397 O SER A 27 7.706 -5.129 8.344 1.00 0.00 O ATOM 398 CB SER A 27 4.994 -3.840 9.205 1.00 0.00 C ATOM 399 OG SER A 27 4.151 -2.698 9.215 1.00 0.00 O ATOM 0 H SER A 27 3.642 -4.427 7.192 1.00 0.00 H new ATOM 0 HA SER A 27 6.165 -3.157 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.420 -4.721 9.492 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.784 -3.719 9.946 1.00 0.00 H new ATOM 0 HG SER A 27 3.328 -2.894 8.720 1.00 0.00 H new ATOM 405 N GLN A 28 6.149 -6.356 7.301 1.00 0.00 N ATOM 406 CA GLN A 28 6.967 -7.546 7.205 1.00 0.00 C ATOM 407 C GLN A 28 7.990 -7.394 6.081 1.00 0.00 C ATOM 408 O GLN A 28 8.999 -8.085 6.052 1.00 0.00 O ATOM 409 CB GLN A 28 6.087 -8.760 6.924 1.00 0.00 C ATOM 410 CG GLN A 28 5.049 -9.049 8.001 1.00 0.00 C ATOM 411 CD GLN A 28 4.137 -10.215 7.645 1.00 0.00 C ATOM 412 OE1 GLN A 28 2.992 -10.266 8.055 1.00 0.00 O ATOM 413 NE2 GLN A 28 4.636 -11.153 6.876 1.00 0.00 N ATOM 0 H GLN A 28 5.214 -6.460 6.907 1.00 0.00 H new ATOM 0 HA GLN A 28 7.490 -7.686 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.574 -8.610 5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.725 -9.636 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.558 -9.265 8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.444 -8.157 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.599 -11.084 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.061 -11.951 6.607 1.00 0.00 H new ATOM 422 N PHE A 29 7.720 -6.476 5.172 1.00 0.00 N ATOM 423 CA PHE A 29 8.563 -6.276 4.016 1.00 0.00 C ATOM 424 C PHE A 29 9.524 -5.116 4.237 1.00 0.00 C ATOM 425 O PHE A 29 10.673 -5.127 3.721 1.00 0.00 O ATOM 426 CB PHE A 29 7.710 -6.075 2.757 1.00 0.00 C ATOM 427 CG PHE A 29 6.878 -7.288 2.400 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.651 -7.513 2.999 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.329 -8.202 1.470 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.899 -8.621 2.678 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.583 -9.312 1.143 1.00 0.00 C ATOM 432 CZ PHE A 29 5.366 -9.524 1.746 1.00 0.00 C ATOM 0 H PHE A 29 6.914 -5.853 5.216 1.00 0.00 H new ATOM 0 HA PHE A 29 9.166 -7.172 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.050 -5.221 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.363 -5.831 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.278 -6.810 3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.284 -8.044 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.944 -8.783 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.954 -10.016 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.778 -10.394 1.491 1.00 0.00 H new ATOM 442 N GLY A 30 9.084 -4.102 4.981 1.00 0.00 N ATOM 443 CA GLY A 30 9.980 -3.028 5.306 1.00 0.00 C ATOM 444 C GLY A 30 9.357 -1.926 6.126 1.00 0.00 C ATOM 445 O GLY A 30 8.208 -2.028 6.553 1.00 0.00 O ATOM 0 H GLY A 30 8.139 -4.014 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.832 -3.434 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.368 -2.602 4.381 1.00 0.00 H new ATOM 449 N GLU A 31 10.141 -0.875 6.324 1.00 0.00 N ATOM 450 CA GLU A 31 9.779 0.297 7.110 1.00 0.00 C ATOM 451 C GLU A 31 8.640 1.069 6.455 1.00 0.00 C ATOM 452 O GLU A 31 8.760 1.502 5.300 1.00 0.00 O ATOM 453 CB GLU A 31 10.996 1.212 7.212 1.00 0.00 C ATOM 454 CG GLU A 31 12.214 0.572 7.859 1.00 0.00 C ATOM 455 CD GLU A 31 13.440 1.441 7.725 1.00 0.00 C ATOM 456 OE1 GLU A 31 13.619 2.385 8.512 1.00 0.00 O ATOM 457 OE2 GLU A 31 14.229 1.225 6.801 1.00 0.00 O1- ATOM 0 H GLU A 31 11.079 -0.813 5.928 1.00 0.00 H new ATOM 0 HA GLU A 31 9.453 -0.033 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.267 1.548 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.721 2.099 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.011 0.389 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.403 -0.398 7.398 1.00 0.00 H new ATOM 464 N ILE A 32 7.568 1.253 7.188 1.00 0.00 N ATOM 465 CA ILE A 32 6.406 1.978 6.706 1.00 0.00 C ATOM 466 C ILE A 32 6.474 3.410 7.227 1.00 0.00 C ATOM 467 O ILE A 32 6.806 3.629 8.389 1.00 0.00 O ATOM 468 CB ILE A 32 5.075 1.338 7.225 1.00 0.00 C ATOM 469 CG1 ILE A 32 5.017 -0.171 6.931 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.850 2.042 6.630 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.061 -0.526 5.463 1.00 0.00 C ATOM 0 H ILE A 32 7.472 0.904 8.142 1.00 0.00 H new ATOM 0 HA ILE A 32 6.412 1.945 5.617 1.00 0.00 H new ATOM 0 HB ILE A 32 5.059 1.472 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.852 -0.659 7.435 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.102 -0.577 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.942 1.574 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.862 3.095 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.874 1.958 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.015 -1.609 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.212 -0.071 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.988 -0.154 5.026 1.00 0.00 H new ATOM 483 N LEU A 33 6.207 4.360 6.371 1.00 0.00 N ATOM 484 CA LEU A 33 6.145 5.753 6.769 1.00 0.00 C ATOM 485 C LEU A 33 4.702 6.158 6.975 1.00 0.00 C ATOM 486 O LEU A 33 4.370 6.849 7.932 1.00 0.00 O ATOM 487 CB LEU A 33 6.806 6.666 5.733 1.00 0.00 C ATOM 488 CG LEU A 33 8.303 6.452 5.499 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.829 7.444 4.477 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.076 6.575 6.809 1.00 0.00 C ATOM 0 H LEU A 33 6.026 4.198 5.380 1.00 0.00 H new ATOM 0 HA LEU A 33 6.695 5.864 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.289 6.536 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.652 7.700 6.040 1.00 0.00 H new ATOM 0 HG LEU A 33 8.447 5.444 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.895 7.277 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.301 7.309 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.669 8.459 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.138 6.419 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.924 7.569 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.719 5.824 7.514 1.00 0.00 H new ATOM 502 N ASP A 34 3.849 5.687 6.088 1.00 0.00 N ATOM 503 CA ASP A 34 2.431 5.976 6.146 1.00 0.00 C ATOM 504 C ASP A 34 1.697 4.970 5.307 1.00 0.00 C ATOM 505 O ASP A 34 2.246 4.447 4.343 1.00 0.00 O ATOM 506 CB ASP A 34 2.075 7.428 5.691 1.00 0.00 C ATOM 507 CG ASP A 34 2.214 7.726 4.202 1.00 0.00 C ATOM 508 OD1 ASP A 34 3.288 8.154 3.760 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.231 7.581 3.451 1.00 0.00 O ATOM 0 H ASP A 34 4.120 5.092 5.305 1.00 0.00 H new ATOM 0 HA ASP A 34 2.123 5.906 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.047 7.636 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.711 8.123 6.239 1.00 0.00 H new ATOM 514 N SER A 35 0.515 4.631 5.721 1.00 0.00 N ATOM 515 CA SER A 35 -0.327 3.724 5.001 1.00 0.00 C ATOM 516 C SER A 35 -1.762 4.021 5.355 1.00 0.00 C ATOM 517 O SER A 35 -2.153 3.882 6.511 1.00 0.00 O ATOM 518 CB SER A 35 0.053 2.262 5.318 1.00 0.00 C ATOM 519 OG SER A 35 0.093 2.032 6.721 1.00 0.00 O ATOM 0 H SER A 35 0.100 4.983 6.584 1.00 0.00 H new ATOM 0 HA SER A 35 -0.193 3.857 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.669 1.588 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.026 2.034 4.882 1.00 0.00 H new ATOM 0 HG SER A 35 -0.552 2.619 7.167 1.00 0.00 H new ATOM 525 N LYS A 36 -2.525 4.475 4.392 1.00 0.00 N ATOM 526 CA LYS A 36 -3.905 4.853 4.627 1.00 0.00 C ATOM 527 C LYS A 36 -4.808 4.413 3.511 1.00 0.00 C ATOM 528 O LYS A 36 -4.393 4.374 2.343 1.00 0.00 O ATOM 529 CB LYS A 36 -4.048 6.374 4.845 1.00 0.00 C ATOM 530 CG LYS A 36 -3.545 6.888 6.198 1.00 0.00 C ATOM 531 CD LYS A 36 -4.294 6.234 7.364 1.00 0.00 C ATOM 532 CE LYS A 36 -5.772 6.600 7.397 1.00 0.00 C ATOM 533 NZ LYS A 36 -6.501 5.795 8.413 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.214 4.594 3.428 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.212 4.338 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.506 6.891 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.099 6.643 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.478 6.685 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.669 7.970 6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.194 5.151 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.829 6.535 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.882 7.661 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.213 6.435 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.025 5.032 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.821 5.384 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.168 6.406 8.927 1.00 0.00 H new ATOM 547 N ILE A 37 -6.028 4.056 3.878 1.00 0.00 N ATOM 548 CA ILE A 37 -7.053 3.719 2.909 1.00 0.00 C ATOM 549 C ILE A 37 -7.654 5.018 2.423 1.00 0.00 C ATOM 550 O ILE A 37 -7.927 5.924 3.229 1.00 0.00 O ATOM 551 CB ILE A 37 -8.196 2.842 3.525 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.644 1.556 4.146 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.276 2.508 2.487 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.857 0.682 3.194 1.00 0.00 C ATOM 0 H ILE A 37 -6.332 3.992 4.849 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.596 3.141 2.105 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.656 3.435 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.004 1.821 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.475 0.976 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.051 1.899 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.717 3.431 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.828 1.956 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.506 -0.205 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.496 0.382 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.002 1.239 2.811 1.00 0.00 H new ATOM 566 N ILE A 38 -7.838 5.138 1.144 1.00 0.00 N ATOM 567 CA ILE A 38 -8.395 6.334 0.605 1.00 0.00 C ATOM 568 C ILE A 38 -9.902 6.192 0.501 1.00 0.00 C ATOM 569 O ILE A 38 -10.429 5.303 -0.201 1.00 0.00 O ATOM 570 CB ILE A 38 -7.765 6.707 -0.764 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.230 6.848 -0.624 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.378 7.996 -1.324 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.770 7.844 0.442 1.00 0.00 C ATOM 0 H ILE A 38 -7.610 4.420 0.456 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.162 7.155 1.283 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.981 5.904 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.809 5.870 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.818 7.152 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.917 8.231 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.451 7.859 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.203 8.815 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.681 7.874 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.155 8.836 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.146 7.533 1.417 1.00 0.00 H new ATOM 585 N ASN A 39 -10.587 7.013 1.239 1.00 0.00 N ATOM 586 CA ASN A 39 -12.021 7.018 1.237 1.00 0.00 C ATOM 587 C ASN A 39 -12.557 8.058 0.294 1.00 0.00 C ATOM 588 O ASN A 39 -11.842 8.984 -0.122 1.00 0.00 O ATOM 589 CB ASN A 39 -12.627 7.192 2.656 1.00 0.00 C ATOM 590 CG ASN A 39 -12.142 8.426 3.446 1.00 0.00 C ATOM 591 OD1 ASN A 39 -11.752 9.466 2.893 1.00 0.00 O ATOM 592 ND2 ASN A 39 -12.177 8.319 4.752 1.00 0.00 N ATOM 0 H ASN A 39 -10.166 7.702 1.863 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.332 6.035 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.712 7.247 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.401 6.299 3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.880 9.101 5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.502 7.454 5.184 1.00 0.00 H new ATOM 599 N ASP A 40 -13.784 7.887 -0.077 1.00 0.00 N ATOM 600 CA ASP A 40 -14.449 8.810 -0.924 1.00 0.00 C ATOM 601 C ASP A 40 -15.242 9.721 -0.043 1.00 0.00 C ATOM 602 O ASP A 40 -16.222 9.317 0.562 1.00 0.00 O ATOM 603 CB ASP A 40 -15.376 8.089 -1.876 1.00 0.00 C ATOM 604 CG ASP A 40 -15.968 9.011 -2.882 1.00 0.00 C ATOM 605 OD1 ASP A 40 -16.951 9.678 -2.566 1.00 0.00 O ATOM 606 OD2 ASP A 40 -15.447 9.053 -4.004 1.00 0.00 O1- ATOM 0 H ASP A 40 -14.356 7.091 0.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.726 9.366 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.827 7.298 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.174 7.608 -1.311 1.00 0.00 H new ATOM 611 N ARG A 41 -14.788 10.924 0.055 1.00 0.00 N ATOM 612 CA ARG A 41 -15.366 11.914 0.944 1.00 0.00 C ATOM 613 C ARG A 41 -16.721 12.452 0.484 1.00 0.00 C ATOM 614 O ARG A 41 -17.354 13.208 1.204 1.00 0.00 O ATOM 615 CB ARG A 41 -14.355 13.018 1.226 1.00 0.00 C ATOM 616 CG ARG A 41 -13.085 12.459 1.850 1.00 0.00 C ATOM 617 CD ARG A 41 -12.048 13.517 2.132 1.00 0.00 C ATOM 618 NE ARG A 41 -10.812 12.909 2.659 1.00 0.00 N ATOM 619 CZ ARG A 41 -9.721 13.582 3.063 1.00 0.00 C ATOM 620 NH1 ARG A 41 -9.713 14.925 3.052 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -8.642 12.910 3.482 1.00 0.00 N ATOM 0 H ARG A 41 -13.992 11.268 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.592 11.407 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.110 13.535 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.797 13.756 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.338 11.950 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.659 11.710 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.827 14.069 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.441 14.236 2.851 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.783 11.891 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.537 15.437 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.883 15.433 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.649 11.890 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.812 13.418 3.789 1.00 0.00 H new ATOM 635 N GLU A 42 -17.141 12.079 -0.707 1.00 0.00 N ATOM 636 CA GLU A 42 -18.403 12.541 -1.240 1.00 0.00 C ATOM 637 C GLU A 42 -19.490 11.507 -0.925 1.00 0.00 C ATOM 638 O GLU A 42 -20.543 11.830 -0.379 1.00 0.00 O ATOM 639 CB GLU A 42 -18.269 12.760 -2.750 1.00 0.00 C ATOM 640 CG GLU A 42 -19.490 13.358 -3.420 1.00 0.00 C ATOM 641 CD GLU A 42 -19.277 13.561 -4.902 1.00 0.00 C ATOM 642 OE1 GLU A 42 -18.658 14.580 -5.281 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -19.710 12.692 -5.688 1.00 0.00 O ATOM 0 H GLU A 42 -16.624 11.455 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.683 13.489 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -17.416 13.413 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.045 11.804 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.347 12.704 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.729 14.314 -2.953 1.00 0.00 H new ATOM 650 N THR A 43 -19.204 10.260 -1.235 1.00 0.00 N ATOM 651 CA THR A 43 -20.147 9.184 -1.005 1.00 0.00 C ATOM 652 C THR A 43 -20.026 8.563 0.396 1.00 0.00 C ATOM 653 O THR A 43 -20.901 7.808 0.824 1.00 0.00 O ATOM 654 CB THR A 43 -20.048 8.101 -2.097 1.00 0.00 C ATOM 655 OG1 THR A 43 -18.679 7.727 -2.314 1.00 0.00 O ATOM 656 CG2 THR A 43 -20.629 8.590 -3.390 1.00 0.00 C ATOM 0 H THR A 43 -18.320 9.964 -1.650 1.00 0.00 H new ATOM 0 HA THR A 43 -21.136 9.638 -1.060 1.00 0.00 H new ATOM 0 HB THR A 43 -20.614 7.235 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 43 -18.199 8.471 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 43 -20.547 7.808 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 43 -21.679 8.845 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.084 9.473 -3.723 1.00 0.00 H new ATOM 664 N GLY A 44 -18.924 8.835 1.072 1.00 0.00 N ATOM 665 CA GLY A 44 -18.758 8.387 2.444 1.00 0.00 C ATOM 666 C GLY A 44 -18.115 7.015 2.576 1.00 0.00 C ATOM 667 O GLY A 44 -17.814 6.574 3.678 1.00 0.00 O ATOM 0 H GLY A 44 -18.135 9.361 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.150 9.115 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.734 8.367 2.929 1.00 0.00 H new ATOM 671 N ARG A 45 -17.890 6.340 1.471 1.00 0.00 N ATOM 672 CA ARG A 45 -17.301 4.997 1.539 1.00 0.00 C ATOM 673 C ARG A 45 -15.897 4.896 0.983 1.00 0.00 C ATOM 674 O ARG A 45 -15.422 5.787 0.309 1.00 0.00 O ATOM 675 CB ARG A 45 -18.213 3.867 0.995 1.00 0.00 C ATOM 676 CG ARG A 45 -19.148 4.215 -0.164 1.00 0.00 C ATOM 677 CD ARG A 45 -18.479 4.928 -1.332 1.00 0.00 C ATOM 678 NE ARG A 45 -17.418 4.176 -2.012 1.00 0.00 N ATOM 679 CZ ARG A 45 -16.855 4.582 -3.170 1.00 0.00 C ATOM 680 NH1 ARG A 45 -17.206 5.766 -3.706 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -15.912 3.836 -3.754 1.00 0.00 N ATOM 0 H ARG A 45 -18.095 6.677 0.531 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.214 4.829 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.575 3.042 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.822 3.499 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -19.606 3.297 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -19.954 4.844 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.245 5.184 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.059 5.866 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.091 3.307 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.896 6.354 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.782 6.075 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.617 2.959 -3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.487 4.144 -4.629 1.00 0.00 H new ATOM 695 N SER A 46 -15.255 3.790 1.276 1.00 0.00 N ATOM 696 CA SER A 46 -13.897 3.510 0.857 1.00 0.00 C ATOM 697 C SER A 46 -13.798 3.412 -0.678 1.00 0.00 C ATOM 698 O SER A 46 -14.701 2.860 -1.333 1.00 0.00 O ATOM 699 CB SER A 46 -13.478 2.193 1.501 1.00 0.00 C ATOM 700 OG SER A 46 -13.770 2.225 2.889 1.00 0.00 O ATOM 0 H SER A 46 -15.671 3.039 1.827 1.00 0.00 H new ATOM 0 HA SER A 46 -13.237 4.319 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.003 1.363 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.412 2.025 1.348 1.00 0.00 H new ATOM 0 HG SER A 46 -13.501 1.377 3.299 1.00 0.00 H new ATOM 706 N ARG A 47 -12.722 3.957 -1.255 1.00 0.00 N ATOM 707 CA ARG A 47 -12.531 3.907 -2.704 1.00 0.00 C ATOM 708 C ARG A 47 -11.922 2.591 -3.169 1.00 0.00 C ATOM 709 O ARG A 47 -11.867 2.322 -4.358 1.00 0.00 O ATOM 710 CB ARG A 47 -11.763 5.125 -3.250 1.00 0.00 C ATOM 711 CG ARG A 47 -12.603 6.392 -3.282 1.00 0.00 C ATOM 712 CD ARG A 47 -11.868 7.582 -3.897 1.00 0.00 C ATOM 713 NE ARG A 47 -12.799 8.700 -4.152 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.498 9.937 -4.553 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.225 10.325 -4.687 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -13.499 10.788 -4.801 1.00 0.00 N ATOM 0 H ARG A 47 -11.978 4.433 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.531 3.958 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.880 5.297 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.411 4.904 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.514 6.203 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.907 6.645 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.074 7.910 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.393 7.279 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.789 8.504 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.469 9.672 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.011 11.274 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.466 10.486 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.296 11.739 -5.109 1.00 0.00 H new ATOM 730 N GLY A 48 -11.471 1.787 -2.227 1.00 0.00 N ATOM 731 CA GLY A 48 -10.992 0.460 -2.562 1.00 0.00 C ATOM 732 C GLY A 48 -9.519 0.407 -2.873 1.00 0.00 C ATOM 733 O GLY A 48 -9.045 -0.560 -3.485 1.00 0.00 O ATOM 0 H GLY A 48 -11.426 2.024 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.203 -0.213 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.549 0.089 -3.422 1.00 0.00 H new ATOM 737 N PHE A 49 -8.789 1.423 -2.471 1.00 0.00 N ATOM 738 CA PHE A 49 -7.365 1.441 -2.667 1.00 0.00 C ATOM 739 C PHE A 49 -6.728 2.273 -1.568 1.00 0.00 C ATOM 740 O PHE A 49 -7.439 3.006 -0.843 1.00 0.00 O ATOM 741 CB PHE A 49 -6.976 1.971 -4.074 1.00 0.00 C ATOM 742 CG PHE A 49 -7.105 3.450 -4.277 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.318 4.032 -4.583 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.989 4.253 -4.160 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.416 5.398 -4.769 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.074 5.616 -4.342 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.291 6.192 -4.647 1.00 0.00 C ATOM 0 H PHE A 49 -9.164 2.249 -2.005 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.991 0.419 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.944 1.685 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.597 1.467 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.199 3.414 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.035 3.806 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.370 5.844 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.192 6.232 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.364 7.260 -4.790 1.00 0.00 H new ATOM 757 N GLY A 50 -5.439 2.154 -1.432 1.00 0.00 N ATOM 758 CA GLY A 50 -4.724 2.885 -0.442 1.00 0.00 C ATOM 759 C GLY A 50 -3.274 3.009 -0.817 1.00 0.00 C ATOM 760 O GLY A 50 -2.830 2.429 -1.818 1.00 0.00 O ATOM 0 H GLY A 50 -4.859 1.545 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.161 3.877 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.814 2.385 0.522 1.00 0.00 H new ATOM 764 N PHE A 51 -2.538 3.740 -0.041 1.00 0.00 N ATOM 765 CA PHE A 51 -1.132 3.926 -0.291 1.00 0.00 C ATOM 766 C PHE A 51 -0.334 3.373 0.848 1.00 0.00 C ATOM 767 O PHE A 51 -0.758 3.459 2.004 1.00 0.00 O ATOM 768 CB PHE A 51 -0.775 5.406 -0.504 1.00 0.00 C ATOM 769 CG PHE A 51 -1.321 6.009 -1.769 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.644 5.853 -2.967 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.498 6.736 -1.760 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.130 6.411 -4.132 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.991 7.298 -2.922 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.305 7.135 -4.110 1.00 0.00 C ATOM 0 H PHE A 51 -2.888 4.227 0.784 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.889 3.391 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.145 5.981 0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.310 5.507 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.276 5.288 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.038 6.866 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.592 6.281 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.911 7.864 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.687 7.573 -5.020 1.00 0.00 H new ATOM 784 N VAL A 52 0.778 2.771 0.525 1.00 0.00 N ATOM 785 CA VAL A 52 1.694 2.249 1.510 1.00 0.00 C ATOM 786 C VAL A 52 3.045 2.858 1.234 1.00 0.00 C ATOM 787 O VAL A 52 3.616 2.647 0.173 1.00 0.00 O ATOM 788 CB VAL A 52 1.816 0.703 1.452 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.702 0.196 2.577 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.454 0.044 1.521 1.00 0.00 C ATOM 0 H VAL A 52 1.079 2.626 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 52 1.320 2.502 2.502 1.00 0.00 H new ATOM 0 HB VAL A 52 2.273 0.440 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.776 -0.890 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.696 0.633 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.270 0.481 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.571 -1.039 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.037 0.319 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.154 0.377 0.680 1.00 0.00 H new ATOM 800 N THR A 53 3.510 3.638 2.129 1.00 0.00 N ATOM 801 CA THR A 53 4.746 4.317 1.967 1.00 0.00 C ATOM 802 C THR A 53 5.850 3.639 2.728 1.00 0.00 C ATOM 803 O THR A 53 5.729 3.374 3.920 1.00 0.00 O ATOM 804 CB THR A 53 4.586 5.759 2.417 1.00 0.00 C ATOM 805 OG1 THR A 53 3.494 6.299 1.701 1.00 0.00 O ATOM 806 CG2 THR A 53 5.837 6.571 2.123 1.00 0.00 C ATOM 0 H THR A 53 3.039 3.831 3.013 1.00 0.00 H new ATOM 0 HA THR A 53 5.023 4.294 0.913 1.00 0.00 H new ATOM 0 HB THR A 53 4.418 5.795 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.655 6.013 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.691 7.598 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.686 6.135 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.033 6.562 1.051 1.00 0.00 H new ATOM 814 N PHE A 54 6.901 3.347 2.029 1.00 0.00 N ATOM 815 CA PHE A 54 8.063 2.745 2.585 1.00 0.00 C ATOM 816 C PHE A 54 9.152 3.771 2.665 1.00 0.00 C ATOM 817 O PHE A 54 9.092 4.796 2.007 1.00 0.00 O ATOM 818 CB PHE A 54 8.527 1.588 1.715 1.00 0.00 C ATOM 819 CG PHE A 54 7.542 0.471 1.627 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.524 -0.525 2.582 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.631 0.418 0.589 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.619 -1.553 2.506 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.724 -0.607 0.507 1.00 0.00 C ATOM 824 CZ PHE A 54 5.719 -1.593 1.466 1.00 0.00 C ATOM 0 H PHE A 54 6.973 3.527 1.028 1.00 0.00 H new ATOM 0 HA PHE A 54 7.828 2.366 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.732 1.960 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.467 1.202 2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.230 -0.495 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.634 1.191 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.613 -2.327 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.016 -0.640 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.006 -2.402 1.402 1.00 0.00 H new ATOM 834 N LYS A 55 10.126 3.517 3.474 1.00 0.00 N ATOM 835 CA LYS A 55 11.255 4.420 3.592 1.00 0.00 C ATOM 836 C LYS A 55 12.456 3.811 2.864 1.00 0.00 C ATOM 837 O LYS A 55 13.497 4.444 2.692 1.00 0.00 O ATOM 838 CB LYS A 55 11.607 4.580 5.061 1.00 0.00 C ATOM 839 CG LYS A 55 12.577 5.720 5.366 1.00 0.00 C ATOM 840 CD LYS A 55 13.522 5.338 6.484 1.00 0.00 C ATOM 841 CE LYS A 55 14.496 4.284 5.989 1.00 0.00 C ATOM 842 NZ LYS A 55 15.382 3.772 7.037 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.176 2.692 4.071 1.00 0.00 H new ATOM 0 HA LYS A 55 11.003 5.388 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.688 4.742 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.041 3.647 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.147 5.967 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.019 6.613 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.066 6.217 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.959 4.956 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.934 3.454 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.101 4.707 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.283 3.472 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.561 4.520 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.932 2.960 7.506 1.00 0.00 H new ATOM 856 N ASP A 56 12.287 2.586 2.441 1.00 0.00 N ATOM 857 CA ASP A 56 13.368 1.815 1.862 1.00 0.00 C ATOM 858 C ASP A 56 13.005 1.286 0.482 1.00 0.00 C ATOM 859 O ASP A 56 11.862 0.864 0.245 1.00 0.00 O ATOM 860 CB ASP A 56 13.738 0.663 2.808 1.00 0.00 C ATOM 861 CG ASP A 56 14.737 -0.297 2.219 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.936 0.019 2.189 1.00 0.00 O ATOM 863 OD2 ASP A 56 14.324 -1.380 1.784 1.00 0.00 O1- ATOM 0 H ASP A 56 11.397 2.089 2.486 1.00 0.00 H new ATOM 0 HA ASP A 56 14.230 2.470 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.144 1.077 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.833 0.116 3.074 1.00 0.00 H new ATOM 868 N GLU A 57 13.982 1.326 -0.412 1.00 0.00 N ATOM 869 CA GLU A 57 13.849 0.861 -1.792 1.00 0.00 C ATOM 870 C GLU A 57 13.483 -0.626 -1.842 1.00 0.00 C ATOM 871 O GLU A 57 12.514 -1.015 -2.519 1.00 0.00 O ATOM 872 CB GLU A 57 15.166 1.096 -2.532 1.00 0.00 C ATOM 873 CG GLU A 57 15.164 0.662 -3.985 1.00 0.00 C ATOM 874 CD GLU A 57 14.357 1.545 -4.914 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.859 2.612 -5.309 1.00 0.00 O ATOM 876 OE2 GLU A 57 13.231 1.145 -5.292 1.00 0.00 O1- ATOM 0 H GLU A 57 14.910 1.690 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 57 13.047 1.422 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.409 2.158 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.961 0.564 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.194 0.631 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.775 -0.354 -4.045 1.00 0.00 H new ATOM 883 N LYS A 58 14.215 -1.452 -1.072 1.00 0.00 N ATOM 884 CA LYS A 58 13.997 -2.895 -1.094 1.00 0.00 C ATOM 885 C LYS A 58 12.615 -3.172 -0.600 1.00 0.00 C ATOM 886 O LYS A 58 11.901 -3.944 -1.180 1.00 0.00 O ATOM 887 CB LYS A 58 14.973 -3.656 -0.183 1.00 0.00 C ATOM 888 CG LYS A 58 14.763 -5.177 -0.229 1.00 0.00 C ATOM 889 CD LYS A 58 15.151 -5.875 1.075 1.00 0.00 C ATOM 890 CE LYS A 58 14.189 -5.524 2.233 1.00 0.00 C ATOM 891 NZ LYS A 58 12.766 -5.866 1.924 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.951 -1.143 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 58 14.151 -3.231 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.996 -3.425 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.853 -3.308 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.716 -5.387 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.351 -5.595 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.153 -6.954 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.167 -5.590 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.499 -6.056 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.263 -4.459 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.208 -5.853 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.378 -5.169 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.721 -6.814 1.499 1.00 0.00 H new ATOM 905 N ALA A 59 12.272 -2.516 0.493 1.00 0.00 N ATOM 906 CA ALA A 59 10.981 -2.627 1.143 1.00 0.00 C ATOM 907 C ALA A 59 9.836 -2.475 0.159 1.00 0.00 C ATOM 908 O ALA A 59 8.919 -3.280 0.162 1.00 0.00 O ATOM 909 CB ALA A 59 10.869 -1.588 2.233 1.00 0.00 C ATOM 0 H ALA A 59 12.905 -1.871 0.967 1.00 0.00 H new ATOM 0 HA ALA A 59 10.910 -3.625 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.897 -1.674 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.658 -1.745 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.970 -0.593 1.799 1.00 0.00 H new ATOM 915 N MET A 60 9.912 -1.470 -0.701 1.00 0.00 N ATOM 916 CA MET A 60 8.855 -1.253 -1.670 1.00 0.00 C ATOM 917 C MET A 60 8.849 -2.342 -2.740 1.00 0.00 C ATOM 918 O MET A 60 7.808 -2.887 -3.047 1.00 0.00 O ATOM 919 CB MET A 60 8.938 0.131 -2.320 1.00 0.00 C ATOM 920 CG MET A 60 7.795 0.391 -3.301 1.00 0.00 C ATOM 921 SD MET A 60 7.875 1.992 -4.125 1.00 0.00 S ATOM 922 CE MET A 60 9.467 1.860 -4.938 1.00 0.00 C ATOM 0 H MET A 60 10.682 -0.803 -0.746 1.00 0.00 H new ATOM 0 HA MET A 60 7.916 -1.302 -1.119 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.925 0.895 -1.542 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.889 0.226 -2.843 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.795 -0.394 -4.057 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.848 0.318 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.547 2.628 -5.708 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.262 1.996 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.561 0.875 -5.396 1.00 0.00 H new ATOM 932 N ARG A 61 10.022 -2.674 -3.267 1.00 0.00 N ATOM 933 CA ARG A 61 10.144 -3.698 -4.338 1.00 0.00 C ATOM 934 C ARG A 61 9.658 -5.048 -3.829 1.00 0.00 C ATOM 935 O ARG A 61 8.844 -5.712 -4.449 1.00 0.00 O ATOM 936 CB ARG A 61 11.606 -3.812 -4.806 1.00 0.00 C ATOM 937 CG ARG A 61 12.197 -2.501 -5.289 1.00 0.00 C ATOM 938 CD ARG A 61 11.448 -1.957 -6.483 1.00 0.00 C ATOM 939 NE ARG A 61 11.791 -0.559 -6.739 1.00 0.00 N ATOM 940 CZ ARG A 61 11.176 0.223 -7.608 1.00 0.00 C ATOM 941 NH1 ARG A 61 10.283 -0.287 -8.453 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.468 1.516 -7.639 1.00 0.00 N ATOM 0 H ARG A 61 10.909 -2.259 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 61 9.527 -3.392 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.212 -4.192 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.664 -4.545 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.172 -1.771 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.244 -2.649 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.680 -2.557 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.375 -2.044 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 61 12.563 -0.157 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.072 -1.285 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.810 0.320 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.162 1.898 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.999 2.129 -8.306 1.00 0.00 H new ATOM 956 N ASP A 62 10.110 -5.370 -2.639 1.00 0.00 N ATOM 957 CA ASP A 62 9.802 -6.619 -1.927 1.00 0.00 C ATOM 958 C ASP A 62 8.283 -6.742 -1.786 1.00 0.00 C ATOM 959 O ASP A 62 7.696 -7.809 -1.931 1.00 0.00 O ATOM 960 CB ASP A 62 10.419 -6.501 -0.528 1.00 0.00 C ATOM 961 CG ASP A 62 10.873 -7.789 0.103 1.00 0.00 C ATOM 962 OD1 ASP A 62 10.065 -8.653 0.343 1.00 0.00 O ATOM 963 OD2 ASP A 62 12.093 -7.868 0.446 1.00 0.00 O1- ATOM 0 H ASP A 62 10.727 -4.755 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 62 10.192 -7.486 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.273 -5.826 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.688 -6.034 0.132 1.00 0.00 H new ATOM 968 N ALA A 63 7.656 -5.598 -1.585 1.00 0.00 N ATOM 969 CA ALA A 63 6.242 -5.510 -1.382 1.00 0.00 C ATOM 970 C ALA A 63 5.486 -5.636 -2.693 1.00 0.00 C ATOM 971 O ALA A 63 4.457 -6.285 -2.753 1.00 0.00 O ATOM 972 CB ALA A 63 5.914 -4.196 -0.730 1.00 0.00 C ATOM 0 H ALA A 63 8.132 -4.696 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 63 5.935 -6.334 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.837 -4.126 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.425 -4.129 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.241 -3.379 -1.373 1.00 0.00 H new ATOM 978 N ILE A 64 5.996 -5.026 -3.733 1.00 0.00 N ATOM 979 CA ILE A 64 5.324 -5.041 -5.021 1.00 0.00 C ATOM 980 C ILE A 64 5.428 -6.417 -5.645 1.00 0.00 C ATOM 981 O ILE A 64 4.406 -7.069 -5.898 1.00 0.00 O ATOM 982 CB ILE A 64 5.908 -3.982 -5.990 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.817 -2.590 -5.374 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.154 -4.008 -7.325 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.600 -1.547 -6.126 1.00 0.00 C ATOM 0 H ILE A 64 6.876 -4.510 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 64 4.277 -4.793 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 64 6.956 -4.222 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.771 -2.287 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.177 -2.632 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.575 -3.259 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.250 -4.995 -7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.100 -3.789 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.489 -0.582 -5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.653 -1.826 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.225 -1.476 -7.147 1.00 0.00 H new ATOM 997 N GLU A 65 6.648 -6.893 -5.801 1.00 0.00 N ATOM 998 CA GLU A 65 6.900 -8.153 -6.431 1.00 0.00 C ATOM 999 C GLU A 65 6.416 -9.340 -5.574 1.00 0.00 C ATOM 1000 O GLU A 65 6.266 -10.454 -6.077 1.00 0.00 O ATOM 1001 CB GLU A 65 8.392 -8.308 -6.803 1.00 0.00 C ATOM 1002 CG GLU A 65 8.926 -7.405 -7.950 1.00 0.00 C ATOM 1003 CD GLU A 65 9.109 -5.925 -7.599 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.215 -5.547 -7.148 1.00 0.00 O ATOM 1005 OE2 GLU A 65 8.173 -5.138 -7.799 1.00 0.00 O1- ATOM 0 H GLU A 65 7.489 -6.407 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 65 6.319 -8.166 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.987 -8.111 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.567 -9.348 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.885 -7.802 -8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.240 -7.477 -8.794 1.00 0.00 H new ATOM 1012 N GLY A 66 6.178 -9.100 -4.295 1.00 0.00 N ATOM 1013 CA GLY A 66 5.722 -10.160 -3.423 1.00 0.00 C ATOM 1014 C GLY A 66 4.219 -10.145 -3.147 1.00 0.00 C ATOM 1015 O GLY A 66 3.573 -11.182 -3.187 1.00 0.00 O ATOM 0 H GLY A 66 6.292 -8.192 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.988 -11.119 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.254 -10.089 -2.475 1.00 0.00 H new ATOM 1019 N MET A 67 3.658 -8.971 -2.906 1.00 0.00 N ATOM 1020 CA MET A 67 2.250 -8.868 -2.479 1.00 0.00 C ATOM 1021 C MET A 67 1.280 -8.710 -3.639 1.00 0.00 C ATOM 1022 O MET A 67 0.063 -8.826 -3.452 1.00 0.00 O ATOM 1023 CB MET A 67 2.056 -7.697 -1.504 1.00 0.00 C ATOM 1024 CG MET A 67 2.749 -7.851 -0.154 1.00 0.00 C ATOM 1025 SD MET A 67 1.929 -9.011 0.962 1.00 0.00 S ATOM 1026 CE MET A 67 0.376 -8.174 1.264 1.00 0.00 C ATOM 0 H MET A 67 4.141 -8.077 -2.994 1.00 0.00 H new ATOM 0 HA MET A 67 2.024 -9.812 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.420 -6.786 -1.979 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.988 -7.562 -1.332 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.774 -8.183 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.804 -6.875 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.030 -8.402 2.272 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.517 -7.098 1.163 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.366 -8.512 0.541 1.00 0.00 H new ATOM 1036 N ASN A 68 1.775 -8.422 -4.826 1.00 0.00 N ATOM 1037 CA ASN A 68 0.871 -8.219 -5.953 1.00 0.00 C ATOM 1038 C ASN A 68 0.264 -9.525 -6.423 1.00 0.00 C ATOM 1039 O ASN A 68 0.966 -10.411 -6.904 1.00 0.00 O ATOM 1040 CB ASN A 68 1.558 -7.504 -7.126 1.00 0.00 C ATOM 1041 CG ASN A 68 0.633 -7.327 -8.327 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.118 -6.359 -8.407 1.00 0.00 O ATOM 1043 ND2 ASN A 68 0.691 -8.241 -9.268 1.00 0.00 N ATOM 0 H ASN A 68 2.768 -8.324 -5.038 1.00 0.00 H new ATOM 0 HA ASN A 68 0.070 -7.575 -5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.910 -6.527 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.437 -8.073 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.101 -8.159 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.326 -9.033 -9.171 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.042 -9.632 -6.302 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.725 -10.804 -6.760 1.00 0.00 C ATOM 1052 C GLY A 69 -2.293 -11.634 -5.638 1.00 0.00 C ATOM 1053 O GLY A 69 -3.242 -12.393 -5.851 1.00 0.00 O ATOM 0 H GLY A 69 -1.643 -8.919 -5.890 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.532 -10.508 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.035 -11.415 -7.343 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.748 -11.491 -4.440 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.227 -12.289 -3.324 1.00 0.00 C ATOM 1059 C GLN A 70 -3.429 -11.650 -2.649 1.00 0.00 C ATOM 1060 O GLN A 70 -3.867 -10.556 -3.026 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.146 -12.580 -2.280 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.586 -11.361 -1.584 1.00 0.00 C ATOM 1063 CD GLN A 70 0.168 -11.737 -0.337 1.00 0.00 C ATOM 1064 OE1 GLN A 70 1.351 -12.003 -0.368 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.526 -11.764 0.780 1.00 0.00 N ATOM 0 H GLN A 70 -0.991 -10.845 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.526 -13.241 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.560 -13.251 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.327 -13.111 -2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.076 -10.825 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.399 -10.681 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.520 -11.534 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.070 -12.015 1.658 1.00 0.00 H new ATOM 1074 N ASP A 71 -3.932 -12.329 -1.648 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.102 -11.899 -0.918 1.00 0.00 C ATOM 1076 C ASP A 71 -4.713 -11.000 0.239 1.00 0.00 C ATOM 1077 O ASP A 71 -3.619 -11.153 0.833 1.00 0.00 O ATOM 1078 CB ASP A 71 -5.859 -13.119 -0.364 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.166 -12.748 0.332 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.146 -12.358 1.528 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.204 -12.833 -0.312 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.536 -13.207 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.741 -11.345 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.072 -13.808 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.217 -13.648 0.340 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.556 -10.046 0.495 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.491 -9.213 1.643 1.00 0.00 C ATOM 1088 C LEU A 72 -6.915 -8.886 2.054 1.00 0.00 C ATOM 1089 O LEU A 72 -7.638 -8.182 1.331 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.694 -7.932 1.383 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.575 -6.956 2.566 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.883 -7.612 3.755 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.836 -5.701 2.148 1.00 0.00 C ATOM 0 H LEU A 72 -6.338 -9.823 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.968 -9.739 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.689 -8.212 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.156 -7.404 0.548 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.583 -6.680 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.814 -6.898 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.458 -8.480 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.881 -7.928 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.762 -5.022 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.835 -5.965 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.379 -5.211 1.339 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.319 -9.478 3.162 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.631 -9.274 3.796 1.00 0.00 C ATOM 1107 C ASP A 73 -9.783 -9.823 2.938 1.00 0.00 C ATOM 1108 O ASP A 73 -10.930 -9.354 3.047 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.893 -7.782 4.167 1.00 0.00 C ATOM 1110 CG ASP A 73 -7.903 -7.195 5.176 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -7.759 -7.750 6.270 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -7.254 -6.156 4.859 1.00 0.00 O ATOM 0 H ASP A 73 -6.732 -10.138 3.671 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.600 -9.844 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.862 -7.184 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.901 -7.693 4.572 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.504 -10.840 2.122 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.557 -11.457 1.325 1.00 0.00 C ATOM 1119 C GLY A 74 -10.628 -10.919 -0.091 1.00 0.00 C ATOM 1120 O GLY A 74 -11.632 -11.106 -0.795 1.00 0.00 O ATOM 0 H GLY A 74 -8.576 -11.245 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.393 -12.534 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.517 -11.297 1.816 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.614 -10.207 -0.491 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.531 -9.672 -1.821 1.00 0.00 C ATOM 1126 C ARG A 75 -8.121 -9.793 -2.347 1.00 0.00 C ATOM 1127 O ARG A 75 -7.168 -9.576 -1.618 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.971 -8.221 -1.813 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.869 -7.473 -3.134 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.762 -8.020 -4.232 1.00 0.00 C ATOM 1131 NE ARG A 75 -10.973 -6.993 -5.282 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.404 -6.962 -6.507 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -9.522 -7.881 -6.873 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -10.717 -5.973 -7.359 1.00 0.00 N ATOM 0 H ARG A 75 -8.815 -9.979 0.101 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.191 -10.240 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.007 -8.181 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.375 -7.688 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.120 -6.426 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.834 -7.502 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.309 -8.910 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.721 -8.324 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.614 -6.232 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.264 -8.626 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.102 -7.843 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.381 -5.251 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.291 -5.944 -8.285 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.994 -10.105 -3.608 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.698 -10.166 -4.241 1.00 0.00 C ATOM 1150 C ASN A 76 -6.312 -8.782 -4.694 1.00 0.00 C ATOM 1151 O ASN A 76 -6.986 -8.158 -5.521 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.626 -11.196 -5.379 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.564 -10.949 -6.538 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.687 -10.445 -6.385 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -7.100 -11.278 -7.703 1.00 0.00 N ATOM 0 H ASN A 76 -8.777 -10.323 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.974 -10.520 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.605 -11.221 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.837 -12.183 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.664 -11.125 -8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.170 -11.690 -7.784 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.258 -8.312 -4.130 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.832 -6.945 -4.272 1.00 0.00 C ATOM 1164 C ILE A 77 -3.830 -6.736 -5.403 1.00 0.00 C ATOM 1165 O ILE A 77 -3.045 -7.633 -5.751 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.231 -6.440 -2.947 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.120 -7.400 -2.485 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.332 -6.356 -1.893 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.288 -6.903 -1.328 1.00 0.00 C ATOM 0 H ILE A 77 -4.644 -8.873 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.722 -6.370 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.800 -5.449 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.575 -8.350 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.459 -7.600 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.910 -5.999 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.106 -5.665 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.768 -7.344 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.533 -7.648 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.798 -5.970 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.931 -6.732 -0.465 1.00 0.00 H new ATOM 1181 N THR A 78 -3.872 -5.555 -5.971 1.00 0.00 N ATOM 1182 CA THR A 78 -2.974 -5.152 -7.012 1.00 0.00 C ATOM 1183 C THR A 78 -2.003 -4.110 -6.436 1.00 0.00 C ATOM 1184 O THR A 78 -2.412 -3.018 -6.018 1.00 0.00 O ATOM 1185 CB THR A 78 -3.777 -4.548 -8.175 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.816 -5.473 -8.534 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.884 -4.300 -9.386 1.00 0.00 C ATOM 0 H THR A 78 -4.548 -4.836 -5.713 1.00 0.00 H new ATOM 0 HA THR A 78 -2.413 -6.009 -7.386 1.00 0.00 H new ATOM 0 HB THR A 78 -4.198 -3.593 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.341 -5.104 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.477 -3.872 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.087 -3.607 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.448 -5.243 -9.716 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.746 -4.452 -6.413 1.00 0.00 N ATOM 1196 CA VAL A 79 0.277 -3.630 -5.801 1.00 0.00 C ATOM 1197 C VAL A 79 1.230 -3.136 -6.885 1.00 0.00 C ATOM 1198 O VAL A 79 1.729 -3.928 -7.670 1.00 0.00 O ATOM 1199 CB VAL A 79 1.075 -4.454 -4.739 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.128 -3.611 -4.056 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.143 -5.061 -3.703 1.00 0.00 C ATOM 0 H VAL A 79 -0.392 -5.317 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.194 -2.783 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 79 1.578 -5.260 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.662 -4.218 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.832 -3.235 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.651 -2.771 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.726 -5.628 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.399 -4.266 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.567 -5.725 -4.197 1.00 0.00 H new ATOM 1211 N ASN A 80 1.445 -1.840 -6.952 1.00 0.00 N ATOM 1212 CA ASN A 80 2.354 -1.277 -7.944 1.00 0.00 C ATOM 1213 C ASN A 80 3.105 -0.072 -7.398 1.00 0.00 C ATOM 1214 O ASN A 80 2.820 0.413 -6.288 1.00 0.00 O ATOM 1215 CB ASN A 80 1.644 -0.936 -9.278 1.00 0.00 C ATOM 1216 CG ASN A 80 0.507 0.061 -9.147 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.708 1.257 -9.199 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.699 -0.432 -9.011 1.00 0.00 N ATOM 0 H ASN A 80 1.008 -1.153 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 80 3.084 -2.055 -8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.381 -0.539 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.255 -1.856 -9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.502 0.194 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.836 -1.442 -8.971 1.00 0.00 H new ATOM 1225 N GLU A 81 4.059 0.400 -8.163 1.00 0.00 N ATOM 1226 CA GLU A 81 4.923 1.485 -7.762 1.00 0.00 C ATOM 1227 C GLU A 81 4.274 2.840 -8.023 1.00 0.00 C ATOM 1228 O GLU A 81 3.924 3.160 -9.150 1.00 0.00 O ATOM 1229 CB GLU A 81 6.267 1.384 -8.517 1.00 0.00 C ATOM 1230 CG GLU A 81 7.279 2.483 -8.186 1.00 0.00 C ATOM 1231 CD GLU A 81 8.591 2.342 -8.946 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.730 1.396 -9.740 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.522 3.150 -8.716 1.00 0.00 O1- ATOM 0 H GLU A 81 4.260 0.037 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 81 5.099 1.403 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.719 0.417 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.067 1.406 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.838 3.454 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.484 2.468 -7.116 1.00 0.00 H new ATOM 1240 N ALA A 82 4.091 3.608 -6.963 1.00 0.00 N ATOM 1241 CA ALA A 82 3.638 4.987 -7.087 1.00 0.00 C ATOM 1242 C ALA A 82 4.880 5.872 -7.004 1.00 0.00 C ATOM 1243 O ALA A 82 4.848 7.083 -7.246 1.00 0.00 O ATOM 1244 CB ALA A 82 2.662 5.329 -5.962 1.00 0.00 C ATOM 0 H ALA A 82 4.249 3.301 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 82 3.115 5.141 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.332 6.363 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.799 4.665 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.158 5.203 -4.999 1.00 0.00 H new ATOM 1250 N GLN A 83 5.966 5.202 -6.626 1.00 0.00 N ATOM 1251 CA GLN A 83 7.307 5.709 -6.456 1.00 0.00 C ATOM 1252 C GLN A 83 7.407 6.689 -5.303 1.00 0.00 C ATOM 1253 O GLN A 83 7.987 6.370 -4.283 1.00 0.00 O ATOM 1254 CB GLN A 83 7.902 6.246 -7.750 1.00 0.00 C ATOM 1255 CG GLN A 83 9.401 6.428 -7.674 1.00 0.00 C ATOM 1256 CD GLN A 83 10.009 6.675 -9.021 1.00 0.00 C ATOM 1257 OE1 GLN A 83 10.168 7.810 -9.449 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.310 5.612 -9.718 1.00 0.00 N ATOM 0 H GLN A 83 5.915 4.205 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 83 7.928 4.856 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.664 5.562 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.436 7.202 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.631 7.265 -7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.851 5.540 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.161 4.684 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.694 5.710 -10.658 1.00 0.00 H new ATOM 1267 N SER A 84 6.823 7.840 -5.440 1.00 0.00 N ATOM 1268 CA SER A 84 6.867 8.816 -4.389 1.00 0.00 C ATOM 1269 C SER A 84 5.694 9.780 -4.455 1.00 0.00 C ATOM 1270 O SER A 84 4.589 9.473 -4.001 1.00 0.00 O ATOM 1271 CB SER A 84 8.234 9.539 -4.358 1.00 0.00 C ATOM 1272 OG SER A 84 8.544 10.096 -5.634 1.00 0.00 O ATOM 0 H SER A 84 6.308 8.129 -6.272 1.00 0.00 H new ATOM 0 HA SER A 84 6.765 8.287 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.215 10.329 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.014 8.837 -4.064 1.00 0.00 H new ATOM 0 HG SER A 84 9.412 10.550 -5.591 1.00 0.00 H new ATOM 1278 N ARG A 85 5.926 10.894 -5.062 1.00 0.00 N ATOM 1279 CA ARG A 85 4.958 11.982 -5.193 1.00 0.00 C ATOM 1280 C ARG A 85 5.237 12.765 -6.462 1.00 0.00 C ATOM 1281 O ARG A 85 6.377 12.808 -6.917 1.00 0.00 O ATOM 1282 CB ARG A 85 5.038 12.916 -3.962 1.00 0.00 C ATOM 1283 CG ARG A 85 4.408 12.335 -2.698 1.00 0.00 C ATOM 1284 CD ARG A 85 4.946 12.974 -1.431 1.00 0.00 C ATOM 1285 NE ARG A 85 4.772 14.432 -1.355 1.00 0.00 N ATOM 1286 CZ ARG A 85 5.416 15.202 -0.454 1.00 0.00 C ATOM 1287 NH1 ARG A 85 6.306 14.656 0.386 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 5.178 16.521 -0.404 1.00 0.00 N ATOM 0 H ARG A 85 6.822 11.101 -5.504 1.00 0.00 H new ATOM 0 HA ARG A 85 3.954 11.562 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.084 13.146 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.545 13.858 -4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.327 12.472 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.592 11.261 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.452 12.518 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.008 12.744 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 85 4.136 14.881 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.498 13.655 0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.791 15.241 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.509 16.943 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.666 17.102 0.278 1.00 0.00 H new TER 1302 ARG A 85