USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0361 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -157:sc= -0.621 (180deg=-2.26!) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.339 F(o=-1.3,f=-0.34) USER MOD Single : A 14 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.089) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.33 F(o=-3.9!,f=-1.3) USER MOD Single : A 19 ASN : amide:sc= 0.0139 K(o=0.014,f=-1.6) USER MOD Single : A 20 SER OG : rot -39:sc= 0.0683 USER MOD Single : A 21 MET CE :methyl -151:sc= -2.59! (180deg=-5.33!) USER MOD Single : A 25 ASN : amide:sc= -1.02 K(o=-1,f=-2.3!) USER MOD Single : A 29 ASN : amide:sc= 0.392 K(o=0.39,f=-4.5!) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : A 36 THR OG1 : rot -101:sc= -0.965! USER MOD Single : A 41 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.14) USER MOD Single : A 50 SER OG : rot -170:sc= -0.434 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.144 -11.749 -1.893 1.00 6.75 N ATOM 2 CA GLY A 1 20.692 -11.465 -1.844 1.00 6.35 C ATOM 3 C GLY A 1 20.366 -10.092 -2.388 1.00 5.53 C ATOM 4 O GLY A 1 21.190 -9.180 -2.310 1.00 5.27 O ATOM 0 H1 GLY A 1 22.344 -12.398 -2.680 1.00 6.75 H new ATOM 0 H2 GLY A 1 22.667 -10.861 -2.035 1.00 6.75 H new ATOM 0 H3 GLY A 1 22.442 -12.187 -0.998 1.00 6.75 H new ATOM 0 HA2 GLY A 1 20.155 -12.220 -2.419 1.00 6.35 H new ATOM 0 HA3 GLY A 1 20.342 -11.540 -0.814 1.00 6.35 H new ATOM 10 N PRO A 2 19.166 -9.916 -2.956 1.00 5.42 N ATOM 11 CA PRO A 2 18.732 -8.637 -3.507 1.00 4.84 C ATOM 12 C PRO A 2 18.264 -7.682 -2.417 1.00 3.62 C ATOM 13 O PRO A 2 17.926 -8.104 -1.310 1.00 3.32 O ATOM 14 CB PRO A 2 17.560 -9.003 -4.428 1.00 5.41 C ATOM 15 CG PRO A 2 17.414 -10.493 -4.351 1.00 6.37 C ATOM 16 CD PRO A 2 18.137 -10.940 -3.112 1.00 6.21 C ATOM 0 HA PRO A 2 19.543 -8.125 -4.025 1.00 4.84 H new ATOM 0 HB2 PRO A 2 16.644 -8.506 -4.108 1.00 5.41 H new ATOM 0 HB3 PRO A 2 17.756 -8.684 -5.452 1.00 5.41 H new ATOM 0 HG2 PRO A 2 16.362 -10.776 -4.307 1.00 6.37 H new ATOM 0 HG3 PRO A 2 17.836 -10.968 -5.237 1.00 6.37 H new ATOM 0 HD2 PRO A 2 17.473 -10.982 -2.248 1.00 6.21 H new ATOM 0 HD3 PRO A 2 18.569 -11.934 -3.231 1.00 6.21 H new ATOM 24 N LEU A 3 18.235 -6.402 -2.742 1.00 3.31 N ATOM 25 CA LEU A 3 17.830 -5.383 -1.789 1.00 2.51 C ATOM 26 C LEU A 3 16.317 -5.358 -1.619 1.00 2.04 C ATOM 27 O LEU A 3 15.595 -4.815 -2.455 1.00 2.65 O ATOM 28 CB LEU A 3 18.312 -4.007 -2.244 1.00 3.20 C ATOM 29 CG LEU A 3 19.824 -3.829 -2.301 1.00 3.91 C ATOM 30 CD1 LEU A 3 20.153 -2.516 -2.983 1.00 4.51 C ATOM 31 CD2 LEU A 3 20.422 -3.873 -0.902 1.00 4.58 C ATOM 0 H LEU A 3 18.488 -6.042 -3.662 1.00 3.31 H new ATOM 0 HA LEU A 3 18.285 -5.629 -0.829 1.00 2.51 H new ATOM 0 HB2 LEU A 3 17.902 -3.807 -3.234 1.00 3.20 H new ATOM 0 HB3 LEU A 3 17.900 -3.256 -1.570 1.00 3.20 H new ATOM 0 HG LEU A 3 20.258 -4.647 -2.876 1.00 3.91 H new ATOM 0 HD11 LEU A 3 21.235 -2.388 -3.024 1.00 4.51 H new ATOM 0 HD12 LEU A 3 19.750 -2.521 -3.996 1.00 4.51 H new ATOM 0 HD13 LEU A 3 19.712 -1.693 -2.421 1.00 4.51 H new ATOM 0 HD21 LEU A 3 21.503 -3.744 -0.964 1.00 4.58 H new ATOM 0 HD22 LEU A 3 19.995 -3.072 -0.298 1.00 4.58 H new ATOM 0 HD23 LEU A 3 20.197 -4.834 -0.440 1.00 4.58 H new ATOM 43 N GLY A 4 15.843 -5.969 -0.545 1.00 1.50 N ATOM 44 CA GLY A 4 14.442 -5.869 -0.196 1.00 1.46 C ATOM 45 C GLY A 4 14.249 -5.132 1.107 1.00 1.26 C ATOM 46 O GLY A 4 13.121 -4.887 1.542 1.00 1.38 O ATOM 0 H GLY A 4 16.405 -6.533 0.093 1.00 1.50 H new ATOM 0 HA2 GLY A 4 13.904 -5.353 -0.991 1.00 1.46 H new ATOM 0 HA3 GLY A 4 14.013 -6.868 -0.117 1.00 1.46 H new ATOM 50 N SER A 5 15.358 -4.758 1.724 1.00 1.11 N ATOM 51 CA SER A 5 15.332 -4.072 3.003 1.00 1.19 C ATOM 52 C SER A 5 15.141 -2.571 2.789 1.00 1.04 C ATOM 53 O SER A 5 15.885 -1.742 3.315 1.00 1.28 O ATOM 54 CB SER A 5 16.633 -4.358 3.746 1.00 1.47 C ATOM 55 OG SER A 5 16.890 -5.755 3.783 1.00 1.68 O ATOM 0 H SER A 5 16.295 -4.920 1.355 1.00 1.11 H new ATOM 0 HA SER A 5 14.496 -4.433 3.602 1.00 1.19 H new ATOM 0 HB2 SER A 5 17.459 -3.843 3.255 1.00 1.47 H new ATOM 0 HB3 SER A 5 16.572 -3.967 4.762 1.00 1.47 H new ATOM 0 HG SER A 5 17.729 -5.921 4.262 1.00 1.68 H new ATOM 61 N MET A 6 14.128 -2.238 2.001 1.00 0.82 N ATOM 62 CA MET A 6 13.761 -0.856 1.733 1.00 0.90 C ATOM 63 C MET A 6 12.245 -0.768 1.580 1.00 0.74 C ATOM 64 O MET A 6 11.748 -0.294 0.557 1.00 0.77 O ATOM 65 CB MET A 6 14.414 -0.362 0.438 1.00 1.13 C ATOM 66 CG MET A 6 15.913 -0.582 0.333 1.00 1.70 C ATOM 67 SD MET A 6 16.525 -0.117 -1.294 1.00 2.28 S ATOM 68 CE MET A 6 15.345 -0.997 -2.322 1.00 2.00 C ATOM 0 H MET A 6 13.536 -2.921 1.529 1.00 0.82 H new ATOM 0 HA MET A 6 14.104 -0.236 2.561 1.00 0.90 H new ATOM 0 HB2 MET A 6 13.932 -0.860 -0.403 1.00 1.13 H new ATOM 0 HB3 MET A 6 14.213 0.704 0.335 1.00 1.13 H new ATOM 0 HG2 MET A 6 16.424 0.003 1.098 1.00 1.70 H new ATOM 0 HG3 MET A 6 16.144 -1.630 0.526 1.00 1.70 H new ATOM 0 HE1 MET A 6 15.779 -1.170 -3.307 1.00 2.00 H new ATOM 0 HE2 MET A 6 15.102 -1.954 -1.859 1.00 2.00 H new ATOM 0 HE3 MET A 6 14.437 -0.402 -2.425 1.00 2.00 H new ATOM 78 N PRO A 7 11.480 -1.209 2.593 1.00 0.69 N ATOM 79 CA PRO A 7 10.029 -1.360 2.468 1.00 0.65 C ATOM 80 C PRO A 7 9.340 -0.045 2.141 1.00 0.53 C ATOM 81 O PRO A 7 8.420 -0.017 1.336 1.00 0.74 O ATOM 82 CB PRO A 7 9.602 -1.896 3.840 1.00 0.83 C ATOM 83 CG PRO A 7 10.847 -2.493 4.396 1.00 0.92 C ATOM 84 CD PRO A 7 11.937 -1.574 3.942 1.00 0.83 C ATOM 0 HA PRO A 7 9.751 -2.023 1.649 1.00 0.65 H new ATOM 0 HB2 PRO A 7 9.221 -1.099 4.479 1.00 0.83 H new ATOM 0 HB3 PRO A 7 8.809 -2.638 3.750 1.00 0.83 H new ATOM 0 HG2 PRO A 7 10.807 -2.554 5.484 1.00 0.92 H new ATOM 0 HG3 PRO A 7 11.002 -3.506 4.025 1.00 0.92 H new ATOM 0 HD2 PRO A 7 12.034 -0.703 4.590 1.00 0.83 H new ATOM 0 HD3 PRO A 7 12.908 -2.069 3.925 1.00 0.83 H new ATOM 92 N GLU A 8 9.830 1.052 2.707 1.00 0.60 N ATOM 93 CA GLU A 8 9.191 2.353 2.512 1.00 0.60 C ATOM 94 C GLU A 8 9.633 2.996 1.206 1.00 0.57 C ATOM 95 O GLU A 8 9.044 3.971 0.749 1.00 0.72 O ATOM 96 CB GLU A 8 9.466 3.284 3.694 1.00 0.78 C ATOM 97 CG GLU A 8 8.541 3.038 4.876 1.00 0.59 C ATOM 98 CD GLU A 8 8.930 3.844 6.098 1.00 0.81 C ATOM 99 OE1 GLU A 8 9.886 3.449 6.800 1.00 1.20 O ATOM 100 OE2 GLU A 8 8.279 4.873 6.362 1.00 1.12 O ATOM 0 H GLU A 8 10.660 1.070 3.300 1.00 0.60 H new ATOM 0 HA GLU A 8 8.116 2.185 2.456 1.00 0.60 H new ATOM 0 HB2 GLU A 8 10.499 3.156 4.016 1.00 0.78 H new ATOM 0 HB3 GLU A 8 9.360 4.318 3.366 1.00 0.78 H new ATOM 0 HG2 GLU A 8 7.519 3.288 4.591 1.00 0.59 H new ATOM 0 HG3 GLU A 8 8.552 1.977 5.126 1.00 0.59 H new ATOM 107 N VAL A 9 10.659 2.431 0.594 1.00 0.46 N ATOM 108 CA VAL A 9 11.102 2.884 -0.714 1.00 0.49 C ATOM 109 C VAL A 9 10.127 2.384 -1.783 1.00 0.42 C ATOM 110 O VAL A 9 10.044 2.925 -2.885 1.00 0.54 O ATOM 111 CB VAL A 9 12.539 2.401 -1.015 1.00 0.52 C ATOM 112 CG1 VAL A 9 12.992 2.839 -2.397 1.00 0.60 C ATOM 113 CG2 VAL A 9 13.499 2.921 0.045 1.00 0.61 C ATOM 0 H VAL A 9 11.201 1.658 0.981 1.00 0.46 H new ATOM 0 HA VAL A 9 11.116 3.974 -0.722 1.00 0.49 H new ATOM 0 HB VAL A 9 12.540 1.311 -0.994 1.00 0.52 H new ATOM 0 HG11 VAL A 9 14.006 2.483 -2.577 1.00 0.60 H new ATOM 0 HG12 VAL A 9 12.322 2.421 -3.149 1.00 0.60 H new ATOM 0 HG13 VAL A 9 12.973 3.927 -2.458 1.00 0.60 H new ATOM 0 HG21 VAL A 9 14.508 2.575 -0.177 1.00 0.61 H new ATOM 0 HG22 VAL A 9 13.482 4.011 0.048 1.00 0.61 H new ATOM 0 HG23 VAL A 9 13.195 2.550 1.024 1.00 0.61 H new ATOM 123 N ARG A 10 9.383 1.343 -1.441 1.00 0.31 N ATOM 124 CA ARG A 10 8.317 0.851 -2.303 1.00 0.30 C ATOM 125 C ARG A 10 6.976 1.313 -1.752 1.00 0.21 C ATOM 126 O ARG A 10 6.209 2.018 -2.420 1.00 0.18 O ATOM 127 CB ARG A 10 8.350 -0.686 -2.393 1.00 0.39 C ATOM 128 CG ARG A 10 9.714 -1.258 -2.766 1.00 0.52 C ATOM 129 CD ARG A 10 10.070 -0.998 -4.226 1.00 0.71 C ATOM 130 NE ARG A 10 10.360 0.411 -4.505 1.00 1.28 N ATOM 131 CZ ARG A 10 10.831 0.854 -5.673 1.00 1.73 C ATOM 132 NH1 ARG A 10 11.037 0.006 -6.677 1.00 1.45 N ATOM 133 NH2 ARG A 10 11.075 2.150 -5.841 1.00 2.74 N ATOM 0 H ARG A 10 9.497 0.822 -0.572 1.00 0.31 H new ATOM 0 HA ARG A 10 8.460 1.251 -3.307 1.00 0.30 H new ATOM 0 HB2 ARG A 10 8.043 -1.102 -1.433 1.00 0.39 H new ATOM 0 HB3 ARG A 10 7.617 -1.012 -3.131 1.00 0.39 H new ATOM 0 HG2 ARG A 10 10.478 -0.819 -2.124 1.00 0.52 H new ATOM 0 HG3 ARG A 10 9.719 -2.332 -2.579 1.00 0.52 H new ATOM 0 HD2 ARG A 10 10.937 -1.601 -4.495 1.00 0.71 H new ATOM 0 HD3 ARG A 10 9.245 -1.325 -4.859 1.00 0.71 H new ATOM 0 HE ARG A 10 10.192 1.092 -3.765 1.00 1.28 H new ATOM 0 HH11 ARG A 10 10.835 -0.986 -6.556 1.00 1.45 H new ATOM 0 HH12 ARG A 10 11.397 0.348 -7.568 1.00 1.45 H new ATOM 0 HH21 ARG A 10 10.902 2.805 -5.078 1.00 2.74 H new ATOM 0 HH22 ARG A 10 11.435 2.490 -6.733 1.00 2.74 H new ATOM 147 N PHE A 11 6.741 0.966 -0.492 1.00 0.19 N ATOM 148 CA PHE A 11 5.452 1.188 0.139 1.00 0.17 C ATOM 149 C PHE A 11 5.108 2.662 0.188 1.00 0.15 C ATOM 150 O PHE A 11 4.074 3.056 -0.317 1.00 0.12 O ATOM 151 CB PHE A 11 5.424 0.616 1.561 1.00 0.22 C ATOM 152 CG PHE A 11 5.509 -0.885 1.624 1.00 0.21 C ATOM 153 CD1 PHE A 11 5.378 -1.649 0.478 1.00 0.56 C ATOM 154 CD2 PHE A 11 5.696 -1.531 2.837 1.00 0.44 C ATOM 155 CE1 PHE A 11 5.434 -3.026 0.536 1.00 0.56 C ATOM 156 CE2 PHE A 11 5.743 -2.907 2.902 1.00 0.46 C ATOM 157 CZ PHE A 11 5.613 -3.654 1.752 1.00 0.23 C ATOM 0 H PHE A 11 7.434 0.527 0.114 1.00 0.19 H new ATOM 0 HA PHE A 11 4.709 0.671 -0.469 1.00 0.17 H new ATOM 0 HB2 PHE A 11 6.253 1.040 2.127 1.00 0.22 H new ATOM 0 HB3 PHE A 11 4.505 0.938 2.052 1.00 0.22 H new ATOM 0 HD1 PHE A 11 5.230 -1.161 -0.474 1.00 0.56 H new ATOM 0 HD2 PHE A 11 5.806 -0.950 3.740 1.00 0.44 H new ATOM 0 HE1 PHE A 11 5.338 -3.611 -0.367 1.00 0.56 H new ATOM 0 HE2 PHE A 11 5.882 -3.399 3.853 1.00 0.46 H new ATOM 0 HZ PHE A 11 5.651 -4.732 1.802 1.00 0.23 H new ATOM 167 N GLN A 12 5.993 3.479 0.755 1.00 0.20 N ATOM 168 CA GLN A 12 5.681 4.889 0.992 1.00 0.22 C ATOM 169 C GLN A 12 5.354 5.616 -0.310 1.00 0.20 C ATOM 170 O GLN A 12 4.496 6.494 -0.330 1.00 0.21 O ATOM 171 CB GLN A 12 6.830 5.593 1.718 1.00 0.32 C ATOM 172 CG GLN A 12 6.511 7.026 2.113 1.00 0.36 C ATOM 173 CD GLN A 12 7.632 7.695 2.885 1.00 0.54 C ATOM 174 OE1 GLN A 12 8.870 7.317 2.598 1.00 1.14 O flip ATOM 175 NE2 GLN A 12 7.387 8.552 3.730 1.00 1.26 N flip ATOM 0 H GLN A 12 6.924 3.194 1.057 1.00 0.20 H new ATOM 0 HA GLN A 12 4.797 4.921 1.629 1.00 0.22 H new ATOM 0 HB2 GLN A 12 7.085 5.026 2.613 1.00 0.32 H new ATOM 0 HB3 GLN A 12 7.711 5.589 1.076 1.00 0.32 H new ATOM 0 HG2 GLN A 12 6.301 7.606 1.214 1.00 0.36 H new ATOM 0 HG3 GLN A 12 5.605 7.036 2.718 1.00 0.36 H new ATOM 0 HE21 GLN A 12 6.421 8.816 3.923 1.00 1.26 H new ATOM 0 HE22 GLN A 12 8.150 8.999 4.239 1.00 1.26 H new ATOM 184 N GLN A 13 6.012 5.229 -1.398 1.00 0.21 N ATOM 185 CA GLN A 13 5.740 5.838 -2.697 1.00 0.23 C ATOM 186 C GLN A 13 4.321 5.508 -3.122 1.00 0.19 C ATOM 187 O GLN A 13 3.539 6.386 -3.505 1.00 0.21 O ATOM 188 CB GLN A 13 6.752 5.357 -3.743 1.00 0.28 C ATOM 189 CG GLN A 13 8.185 5.701 -3.374 1.00 0.37 C ATOM 190 CD GLN A 13 8.319 7.140 -2.922 1.00 0.59 C ATOM 191 OE1 GLN A 13 8.094 7.367 -1.640 1.00 1.19 O flip ATOM 192 NE2 GLN A 13 8.599 8.035 -3.717 1.00 0.44 N flip ATOM 0 H GLN A 13 6.730 4.505 -1.408 1.00 0.21 H new ATOM 0 HA GLN A 13 5.841 6.920 -2.614 1.00 0.23 H new ATOM 0 HB2 GLN A 13 6.661 4.277 -3.861 1.00 0.28 H new ATOM 0 HB3 GLN A 13 6.512 5.805 -4.707 1.00 0.28 H new ATOM 0 HG2 GLN A 13 8.525 5.037 -2.579 1.00 0.37 H new ATOM 0 HG3 GLN A 13 8.833 5.528 -4.233 1.00 0.37 H new ATOM 0 HE21 GLN A 13 8.765 7.812 -4.698 1.00 0.44 H new ATOM 0 HE22 GLN A 13 8.666 9.001 -3.395 1.00 0.44 H new ATOM 201 N GLN A 14 3.976 4.239 -2.999 1.00 0.16 N ATOM 202 CA GLN A 14 2.620 3.797 -3.260 1.00 0.15 C ATOM 203 C GLN A 14 1.653 4.307 -2.183 1.00 0.13 C ATOM 204 O GLN A 14 0.441 4.361 -2.397 1.00 0.14 O ATOM 205 CB GLN A 14 2.571 2.280 -3.370 1.00 0.16 C ATOM 206 CG GLN A 14 2.963 1.752 -4.748 1.00 0.22 C ATOM 207 CD GLN A 14 4.442 1.830 -5.047 1.00 0.53 C ATOM 208 OE1 GLN A 14 4.947 2.852 -5.508 1.00 1.24 O ATOM 209 NE2 GLN A 14 5.135 0.725 -4.835 1.00 0.37 N ATOM 0 H GLN A 14 4.617 3.497 -2.720 1.00 0.16 H new ATOM 0 HA GLN A 14 2.299 4.220 -4.212 1.00 0.15 H new ATOM 0 HB2 GLN A 14 3.237 1.849 -2.622 1.00 0.16 H new ATOM 0 HB3 GLN A 14 1.563 1.940 -3.133 1.00 0.16 H new ATOM 0 HG2 GLN A 14 2.642 0.714 -4.831 1.00 0.22 H new ATOM 0 HG3 GLN A 14 2.421 2.315 -5.508 1.00 0.22 H new ATOM 0 HE21 GLN A 14 4.674 -0.100 -4.451 1.00 0.37 H new ATOM 0 HE22 GLN A 14 6.130 0.697 -5.056 1.00 0.37 H new ATOM 218 N LEU A 15 2.189 4.693 -1.031 1.00 0.13 N ATOM 219 CA LEU A 15 1.367 5.247 0.043 1.00 0.13 C ATOM 220 C LEU A 15 0.941 6.652 -0.317 1.00 0.15 C ATOM 221 O LEU A 15 -0.189 7.042 -0.055 1.00 0.17 O ATOM 222 CB LEU A 15 2.101 5.270 1.391 1.00 0.15 C ATOM 223 CG LEU A 15 2.534 3.909 1.935 1.00 0.14 C ATOM 224 CD1 LEU A 15 2.797 3.979 3.424 1.00 0.20 C ATOM 225 CD2 LEU A 15 1.497 2.854 1.637 1.00 0.16 C ATOM 0 H LEU A 15 3.184 4.634 -0.815 1.00 0.13 H new ATOM 0 HA LEU A 15 0.497 4.599 0.152 1.00 0.13 H new ATOM 0 HB2 LEU A 15 2.986 5.899 1.291 1.00 0.15 H new ATOM 0 HB3 LEU A 15 1.454 5.746 2.128 1.00 0.15 H new ATOM 0 HG LEU A 15 3.462 3.632 1.434 1.00 0.14 H new ATOM 0 HD11 LEU A 15 3.103 2.998 3.786 1.00 0.20 H new ATOM 0 HD12 LEU A 15 3.589 4.702 3.620 1.00 0.20 H new ATOM 0 HD13 LEU A 15 1.888 4.288 3.940 1.00 0.20 H new ATOM 0 HD21 LEU A 15 1.829 1.895 2.034 1.00 0.16 H new ATOM 0 HD22 LEU A 15 0.551 3.132 2.102 1.00 0.16 H new ATOM 0 HD23 LEU A 15 1.361 2.772 0.559 1.00 0.16 H new ATOM 237 N GLU A 16 1.862 7.410 -0.905 1.00 0.16 N ATOM 238 CA GLU A 16 1.550 8.733 -1.435 1.00 0.19 C ATOM 239 C GLU A 16 0.558 8.602 -2.585 1.00 0.16 C ATOM 240 O GLU A 16 -0.289 9.471 -2.817 1.00 0.17 O ATOM 241 CB GLU A 16 2.830 9.419 -1.910 1.00 0.28 C ATOM 242 CG GLU A 16 3.925 9.406 -0.860 1.00 0.37 C ATOM 243 CD GLU A 16 5.242 9.965 -1.362 1.00 0.54 C ATOM 244 OE1 GLU A 16 5.229 10.963 -2.109 1.00 0.88 O ATOM 245 OE2 GLU A 16 6.301 9.416 -0.992 1.00 0.62 O ATOM 0 H GLU A 16 2.835 7.129 -1.027 1.00 0.16 H new ATOM 0 HA GLU A 16 1.102 9.341 -0.650 1.00 0.19 H new ATOM 0 HB2 GLU A 16 3.190 8.923 -2.811 1.00 0.28 H new ATOM 0 HB3 GLU A 16 2.605 10.450 -2.182 1.00 0.28 H new ATOM 0 HG2 GLU A 16 3.598 9.985 0.004 1.00 0.37 H new ATOM 0 HG3 GLU A 16 4.079 8.383 -0.518 1.00 0.37 H new ATOM 252 N GLN A 17 0.661 7.493 -3.288 1.00 0.15 N ATOM 253 CA GLN A 17 -0.261 7.181 -4.356 1.00 0.17 C ATOM 254 C GLN A 17 -1.666 6.929 -3.812 1.00 0.17 C ATOM 255 O GLN A 17 -2.623 7.538 -4.285 1.00 0.22 O ATOM 256 CB GLN A 17 0.230 5.969 -5.111 1.00 0.18 C ATOM 257 CG GLN A 17 -0.692 5.540 -6.241 1.00 0.27 C ATOM 258 CD GLN A 17 0.000 4.657 -7.257 1.00 0.27 C ATOM 259 OE1 GLN A 17 1.022 3.941 -6.822 1.00 0.37 O flip ATOM 260 NE2 GLN A 17 -0.371 4.632 -8.429 1.00 0.18 N flip ATOM 0 H GLN A 17 1.382 6.788 -3.135 1.00 0.15 H new ATOM 0 HA GLN A 17 -0.310 8.035 -5.032 1.00 0.17 H new ATOM 0 HB2 GLN A 17 1.218 6.182 -5.520 1.00 0.18 H new ATOM 0 HB3 GLN A 17 0.346 5.139 -4.413 1.00 0.18 H new ATOM 0 HG2 GLN A 17 -1.546 5.007 -5.824 1.00 0.27 H new ATOM 0 HG3 GLN A 17 -1.083 6.426 -6.742 1.00 0.27 H new ATOM 0 HE21 GLN A 17 -1.165 5.200 -8.725 1.00 0.18 H new ATOM 0 HE22 GLN A 17 0.115 4.043 -9.105 1.00 0.18 H new ATOM 269 N LEU A 18 -1.796 6.061 -2.799 1.00 0.14 N ATOM 270 CA LEU A 18 -3.101 5.806 -2.200 1.00 0.14 C ATOM 271 C LEU A 18 -3.573 7.059 -1.508 1.00 0.13 C ATOM 272 O LEU A 18 -4.765 7.331 -1.403 1.00 0.15 O ATOM 273 CB LEU A 18 -3.034 4.675 -1.188 1.00 0.12 C ATOM 274 CG LEU A 18 -2.920 3.277 -1.757 1.00 0.14 C ATOM 275 CD1 LEU A 18 -2.650 2.331 -0.624 1.00 0.16 C ATOM 276 CD2 LEU A 18 -4.193 2.875 -2.480 1.00 0.17 C ATOM 0 H LEU A 18 -1.025 5.535 -2.387 1.00 0.14 H new ATOM 0 HA LEU A 18 -3.793 5.516 -2.991 1.00 0.14 H new ATOM 0 HB2 LEU A 18 -2.179 4.850 -0.534 1.00 0.12 H new ATOM 0 HB3 LEU A 18 -3.927 4.720 -0.564 1.00 0.12 H new ATOM 0 HG LEU A 18 -2.107 3.246 -2.482 1.00 0.14 H new ATOM 0 HD11 LEU A 18 -2.564 1.316 -1.011 1.00 0.16 H new ATOM 0 HD12 LEU A 18 -1.720 2.611 -0.130 1.00 0.16 H new ATOM 0 HD13 LEU A 18 -3.470 2.378 0.093 1.00 0.16 H new ATOM 0 HD21 LEU A 18 -4.082 1.866 -2.878 1.00 0.17 H new ATOM 0 HD22 LEU A 18 -5.031 2.900 -1.783 1.00 0.17 H new ATOM 0 HD23 LEU A 18 -4.381 3.570 -3.299 1.00 0.17 H new ATOM 288 N ASN A 19 -2.602 7.811 -1.041 1.00 0.13 N ATOM 289 CA ASN A 19 -2.825 9.114 -0.449 1.00 0.15 C ATOM 290 C ASN A 19 -3.606 10.000 -1.404 1.00 0.18 C ATOM 291 O ASN A 19 -4.459 10.792 -1.000 1.00 0.20 O ATOM 292 CB ASN A 19 -1.466 9.743 -0.143 1.00 0.17 C ATOM 293 CG ASN A 19 -1.538 10.998 0.705 1.00 0.22 C ATOM 294 OD1 ASN A 19 -1.512 10.936 1.932 1.00 0.25 O ATOM 295 ND2 ASN A 19 -1.578 12.151 0.054 1.00 0.25 N ATOM 0 H ASN A 19 -1.621 7.532 -1.061 1.00 0.13 H new ATOM 0 HA ASN A 19 -3.404 9.010 0.468 1.00 0.15 H new ATOM 0 HB2 ASN A 19 -0.845 9.008 0.369 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -0.969 9.981 -1.083 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -1.588 13.029 0.572 1.00 0.25 H new ATOM 0 HD22 ASN A 19 -1.599 12.160 -0.966 1.00 0.25 H new ATOM 302 N SER A 20 -3.321 9.821 -2.683 1.00 0.21 N ATOM 303 CA SER A 20 -3.954 10.613 -3.732 1.00 0.26 C ATOM 304 C SER A 20 -5.272 9.962 -4.157 1.00 0.26 C ATOM 305 O SER A 20 -6.016 10.489 -4.987 1.00 0.34 O ATOM 306 CB SER A 20 -3.012 10.752 -4.933 1.00 0.36 C ATOM 307 OG SER A 20 -3.436 11.796 -5.794 1.00 0.66 O ATOM 0 H SER A 20 -2.652 9.131 -3.024 1.00 0.21 H new ATOM 0 HA SER A 20 -4.166 11.609 -3.344 1.00 0.26 H new ATOM 0 HB2 SER A 20 -1.999 10.953 -4.584 1.00 0.36 H new ATOM 0 HB3 SER A 20 -2.979 9.812 -5.484 1.00 0.36 H new ATOM 0 HG SER A 20 -4.414 11.791 -5.857 1.00 0.66 H new ATOM 313 N MET A 21 -5.545 8.804 -3.575 1.00 0.22 N ATOM 314 CA MET A 21 -6.764 8.055 -3.856 1.00 0.24 C ATOM 315 C MET A 21 -7.799 8.343 -2.787 1.00 0.25 C ATOM 316 O MET A 21 -8.955 7.935 -2.887 1.00 0.38 O ATOM 317 CB MET A 21 -6.457 6.563 -3.863 1.00 0.24 C ATOM 318 CG MET A 21 -5.298 6.187 -4.762 1.00 0.30 C ATOM 319 SD MET A 21 -5.806 5.863 -6.460 1.00 0.79 S ATOM 320 CE MET A 21 -6.862 4.438 -6.225 1.00 1.41 C ATOM 0 H MET A 21 -4.930 8.356 -2.896 1.00 0.22 H new ATOM 0 HA MET A 21 -7.151 8.356 -4.830 1.00 0.24 H new ATOM 0 HB2 MET A 21 -6.236 6.241 -2.845 1.00 0.24 H new ATOM 0 HB3 MET A 21 -7.346 6.019 -4.183 1.00 0.24 H new ATOM 0 HG2 MET A 21 -4.563 6.992 -4.755 1.00 0.30 H new ATOM 0 HG3 MET A 21 -4.805 5.302 -4.360 1.00 0.30 H new ATOM 0 HE1 MET A 21 -6.842 3.818 -7.121 1.00 1.41 H new ATOM 0 HE2 MET A 21 -6.505 3.857 -5.374 1.00 1.41 H new ATOM 0 HE3 MET A 21 -7.883 4.769 -6.036 1.00 1.41 H new ATOM 330 N GLY A 22 -7.363 9.043 -1.753 1.00 0.18 N ATOM 331 CA GLY A 22 -8.217 9.316 -0.624 1.00 0.18 C ATOM 332 C GLY A 22 -7.972 8.331 0.496 1.00 0.16 C ATOM 333 O GLY A 22 -8.789 8.185 1.405 1.00 0.19 O ATOM 0 H GLY A 22 -6.422 9.430 -1.678 1.00 0.18 H new ATOM 0 HA2 GLY A 22 -8.038 10.330 -0.266 1.00 0.18 H new ATOM 0 HA3 GLY A 22 -9.261 9.267 -0.934 1.00 0.18 H new ATOM 337 N PHE A 23 -6.838 7.649 0.418 1.00 0.14 N ATOM 338 CA PHE A 23 -6.422 6.714 1.449 1.00 0.14 C ATOM 339 C PHE A 23 -5.216 7.268 2.194 1.00 0.11 C ATOM 340 O PHE A 23 -4.116 7.342 1.656 1.00 0.11 O ATOM 341 CB PHE A 23 -6.104 5.354 0.831 1.00 0.16 C ATOM 342 CG PHE A 23 -7.326 4.572 0.449 1.00 0.21 C ATOM 343 CD1 PHE A 23 -8.084 3.927 1.414 1.00 0.25 C ATOM 344 CD2 PHE A 23 -7.713 4.475 -0.877 1.00 0.30 C ATOM 345 CE1 PHE A 23 -9.205 3.203 1.065 1.00 0.32 C ATOM 346 CE2 PHE A 23 -8.837 3.753 -1.232 1.00 0.37 C ATOM 347 CZ PHE A 23 -9.595 3.134 -0.263 1.00 0.36 C ATOM 0 H PHE A 23 -6.183 7.729 -0.360 1.00 0.14 H new ATOM 0 HA PHE A 23 -7.236 6.580 2.161 1.00 0.14 H new ATOM 0 HB2 PHE A 23 -5.485 5.501 -0.054 1.00 0.16 H new ATOM 0 HB3 PHE A 23 -5.515 4.771 1.539 1.00 0.16 H new ATOM 0 HD1 PHE A 23 -7.793 3.992 2.452 1.00 0.25 H new ATOM 0 HD2 PHE A 23 -7.131 4.968 -1.641 1.00 0.30 H new ATOM 0 HE1 PHE A 23 -9.777 2.691 1.825 1.00 0.32 H new ATOM 0 HE2 PHE A 23 -9.121 3.674 -2.271 1.00 0.37 H new ATOM 0 HZ PHE A 23 -10.491 2.596 -0.537 1.00 0.36 H new ATOM 357 N ILE A 24 -5.437 7.655 3.434 1.00 0.12 N ATOM 358 CA ILE A 24 -4.419 8.352 4.215 1.00 0.12 C ATOM 359 C ILE A 24 -4.071 7.590 5.475 1.00 0.15 C ATOM 360 O ILE A 24 -3.134 7.953 6.186 1.00 0.23 O ATOM 361 CB ILE A 24 -4.832 9.798 4.615 1.00 0.14 C ATOM 362 CG1 ILE A 24 -6.350 10.020 4.489 1.00 0.13 C ATOM 363 CG2 ILE A 24 -4.065 10.824 3.792 1.00 0.19 C ATOM 364 CD1 ILE A 24 -6.818 10.336 3.080 1.00 0.14 C ATOM 0 H ILE A 24 -6.315 7.501 3.930 1.00 0.12 H new ATOM 0 HA ILE A 24 -3.552 8.413 3.558 1.00 0.12 H new ATOM 0 HB ILE A 24 -4.573 9.931 5.665 1.00 0.14 H new ATOM 0 HG12 ILE A 24 -6.867 9.127 4.840 1.00 0.13 H new ATOM 0 HG13 ILE A 24 -6.642 10.837 5.149 1.00 0.13 H new ATOM 0 HG21 ILE A 24 -4.369 11.828 4.088 1.00 0.19 H new ATOM 0 HG22 ILE A 24 -2.996 10.703 3.965 1.00 0.19 H new ATOM 0 HG23 ILE A 24 -4.281 10.676 2.734 1.00 0.19 H new ATOM 0 HD11 ILE A 24 -7.899 10.478 3.079 1.00 0.14 H new ATOM 0 HD12 ILE A 24 -6.332 11.247 2.731 1.00 0.14 H new ATOM 0 HD13 ILE A 24 -6.560 9.510 2.417 1.00 0.14 H new ATOM 376 N ASN A 25 -4.822 6.539 5.766 1.00 0.18 N ATOM 377 CA ASN A 25 -4.420 5.639 6.821 1.00 0.21 C ATOM 378 C ASN A 25 -3.254 4.843 6.298 1.00 0.18 C ATOM 379 O ASN A 25 -3.432 3.756 5.769 1.00 0.17 O ATOM 380 CB ASN A 25 -5.537 4.680 7.250 1.00 0.28 C ATOM 381 CG ASN A 25 -5.185 3.947 8.526 1.00 1.19 C ATOM 382 OD1 ASN A 25 -4.342 4.398 9.297 1.00 1.80 O ATOM 383 ND2 ASN A 25 -5.844 2.831 8.774 1.00 1.84 N ATOM 0 H ASN A 25 -5.694 6.296 5.295 1.00 0.18 H new ATOM 0 HA ASN A 25 -4.163 6.225 7.703 1.00 0.21 H new ATOM 0 HB2 ASN A 25 -6.461 5.239 7.395 1.00 0.28 H new ATOM 0 HB3 ASN A 25 -5.722 3.958 6.455 1.00 0.28 H new ATOM 0 HD21 ASN A 25 -5.660 2.310 9.632 1.00 1.84 H new ATOM 0 HD22 ASN A 25 -6.537 2.489 8.108 1.00 1.84 H new ATOM 390 N ARG A 26 -2.068 5.419 6.385 1.00 0.22 N ATOM 391 CA ARG A 26 -0.893 4.794 5.822 1.00 0.25 C ATOM 392 C ARG A 26 -0.637 3.453 6.472 1.00 0.23 C ATOM 393 O ARG A 26 -0.060 2.573 5.855 1.00 0.24 O ATOM 394 CB ARG A 26 0.317 5.715 5.914 1.00 0.45 C ATOM 395 CG ARG A 26 0.397 6.680 4.743 1.00 0.60 C ATOM 396 CD ARG A 26 1.672 7.510 4.743 1.00 0.51 C ATOM 397 NE ARG A 26 1.852 8.195 3.458 1.00 0.95 N ATOM 398 CZ ARG A 26 1.206 9.308 3.090 1.00 1.10 C ATOM 399 NH1 ARG A 26 0.387 9.923 3.933 1.00 1.42 N ATOM 400 NH2 ARG A 26 1.389 9.816 1.872 1.00 1.63 N ATOM 0 H ARG A 26 -1.897 6.316 6.840 1.00 0.22 H new ATOM 0 HA ARG A 26 -1.074 4.613 4.762 1.00 0.25 H new ATOM 0 HB2 ARG A 26 0.271 6.280 6.845 1.00 0.45 H new ATOM 0 HB3 ARG A 26 1.226 5.115 5.950 1.00 0.45 H new ATOM 0 HG2 ARG A 26 0.336 6.118 3.811 1.00 0.60 H new ATOM 0 HG3 ARG A 26 -0.464 7.347 4.770 1.00 0.60 H new ATOM 0 HD2 ARG A 26 1.633 8.244 5.548 1.00 0.51 H new ATOM 0 HD3 ARG A 26 2.529 6.866 4.940 1.00 0.51 H new ATOM 0 HE ARG A 26 2.518 7.794 2.797 1.00 0.95 H new ATOM 0 HH11 ARG A 26 0.245 9.548 4.871 1.00 1.42 H new ATOM 0 HH12 ARG A 26 -0.101 10.771 3.643 1.00 1.42 H new ATOM 0 HH21 ARG A 26 2.022 9.357 1.218 1.00 1.63 H new ATOM 0 HH22 ARG A 26 0.896 10.664 1.594 1.00 1.63 H new ATOM 414 N GLU A 27 -1.102 3.298 7.706 1.00 0.25 N ATOM 415 CA GLU A 27 -1.140 1.996 8.348 1.00 0.29 C ATOM 416 C GLU A 27 -1.859 1.006 7.443 1.00 0.24 C ATOM 417 O GLU A 27 -1.333 -0.055 7.130 1.00 0.26 O ATOM 418 CB GLU A 27 -1.866 2.086 9.686 1.00 0.42 C ATOM 419 CG GLU A 27 -1.218 3.043 10.669 1.00 0.79 C ATOM 420 CD GLU A 27 -2.027 3.204 11.942 1.00 1.58 C ATOM 421 OE1 GLU A 27 -2.592 2.203 12.425 1.00 1.79 O ATOM 422 OE2 GLU A 27 -2.087 4.335 12.473 1.00 2.44 O ATOM 0 H GLU A 27 -1.458 4.062 8.281 1.00 0.25 H new ATOM 0 HA GLU A 27 -0.119 1.658 8.524 1.00 0.29 H new ATOM 0 HB2 GLU A 27 -2.895 2.401 9.511 1.00 0.42 H new ATOM 0 HB3 GLU A 27 -1.909 1.093 10.134 1.00 0.42 H new ATOM 0 HG2 GLU A 27 -0.221 2.681 10.919 1.00 0.79 H new ATOM 0 HG3 GLU A 27 -1.094 4.017 10.195 1.00 0.79 H new ATOM 429 N ALA A 28 -3.043 1.395 6.978 1.00 0.22 N ATOM 430 CA ALA A 28 -3.855 0.540 6.138 1.00 0.21 C ATOM 431 C ALA A 28 -3.238 0.415 4.755 1.00 0.15 C ATOM 432 O ALA A 28 -3.129 -0.685 4.211 1.00 0.14 O ATOM 433 CB ALA A 28 -5.275 1.074 6.031 1.00 0.26 C ATOM 0 H ALA A 28 -3.458 2.306 7.175 1.00 0.22 H new ATOM 0 HA ALA A 28 -3.893 -0.447 6.598 1.00 0.21 H new ATOM 0 HB1 ALA A 28 -5.865 0.414 5.395 1.00 0.26 H new ATOM 0 HB2 ALA A 28 -5.723 1.117 7.024 1.00 0.26 H new ATOM 0 HB3 ALA A 28 -5.256 2.074 5.598 1.00 0.26 H new ATOM 439 N ASN A 29 -2.834 1.558 4.197 1.00 0.14 N ATOM 440 CA ASN A 29 -2.199 1.598 2.886 1.00 0.10 C ATOM 441 C ASN A 29 -1.043 0.601 2.799 1.00 0.10 C ATOM 442 O ASN A 29 -1.071 -0.322 1.984 1.00 0.09 O ATOM 443 CB ASN A 29 -1.678 3.007 2.572 1.00 0.11 C ATOM 444 CG ASN A 29 -2.759 4.074 2.519 1.00 0.11 C ATOM 445 OD1 ASN A 29 -3.879 3.882 2.988 1.00 0.14 O ATOM 446 ND2 ASN A 29 -2.408 5.230 1.978 1.00 0.11 N ATOM 0 H ASN A 29 -2.938 2.471 4.639 1.00 0.14 H new ATOM 0 HA ASN A 29 -2.957 1.324 2.153 1.00 0.10 H new ATOM 0 HB2 ASN A 29 -0.944 3.287 3.327 1.00 0.11 H new ATOM 0 HB3 ASN A 29 -1.158 2.985 1.614 1.00 0.11 H new ATOM 0 HD21 ASN A 29 -3.077 5.999 1.940 1.00 0.11 H new ATOM 0 HD22 ASN A 29 -1.469 5.351 1.599 1.00 0.11 H new ATOM 453 N LEU A 30 -0.032 0.760 3.652 1.00 0.11 N ATOM 454 CA LEU A 30 1.150 -0.082 3.554 1.00 0.12 C ATOM 455 C LEU A 30 0.895 -1.494 4.048 1.00 0.11 C ATOM 456 O LEU A 30 1.583 -2.399 3.624 1.00 0.11 O ATOM 457 CB LEU A 30 2.390 0.532 4.233 1.00 0.17 C ATOM 458 CG LEU A 30 2.237 1.050 5.669 1.00 0.21 C ATOM 459 CD1 LEU A 30 1.976 -0.076 6.661 1.00 0.24 C ATOM 460 CD2 LEU A 30 3.489 1.807 6.072 1.00 0.27 C ATOM 0 H LEU A 30 -0.010 1.450 4.403 1.00 0.11 H new ATOM 0 HA LEU A 30 1.375 -0.142 2.489 1.00 0.12 H new ATOM 0 HB2 LEU A 30 3.180 -0.219 4.230 1.00 0.17 H new ATOM 0 HB3 LEU A 30 2.736 1.360 3.614 1.00 0.17 H new ATOM 0 HG LEU A 30 1.372 1.713 5.691 1.00 0.21 H new ATOM 0 HD11 LEU A 30 1.875 0.339 7.664 1.00 0.24 H new ATOM 0 HD12 LEU A 30 1.057 -0.595 6.389 1.00 0.24 H new ATOM 0 HD13 LEU A 30 2.809 -0.779 6.641 1.00 0.24 H new ATOM 0 HD21 LEU A 30 3.379 2.175 7.092 1.00 0.27 H new ATOM 0 HD22 LEU A 30 4.350 1.141 6.017 1.00 0.27 H new ATOM 0 HD23 LEU A 30 3.638 2.650 5.397 1.00 0.27 H new ATOM 472 N GLN A 31 -0.092 -1.700 4.919 1.00 0.11 N ATOM 473 CA GLN A 31 -0.478 -3.063 5.298 1.00 0.13 C ATOM 474 C GLN A 31 -0.941 -3.812 4.069 1.00 0.09 C ATOM 475 O GLN A 31 -0.694 -5.016 3.904 1.00 0.09 O ATOM 476 CB GLN A 31 -1.605 -3.067 6.322 1.00 0.20 C ATOM 477 CG GLN A 31 -1.146 -2.905 7.760 1.00 0.30 C ATOM 478 CD GLN A 31 -0.347 -4.095 8.253 1.00 1.19 C ATOM 479 OE1 GLN A 31 0.963 -4.031 8.094 1.00 1.52 O flip ATOM 480 NE2 GLN A 31 -0.902 -5.062 8.770 1.00 2.18 N flip ATOM 0 H GLN A 31 -0.630 -0.960 5.369 1.00 0.11 H new ATOM 0 HA GLN A 31 0.394 -3.543 5.742 1.00 0.13 H new ATOM 0 HB2 GLN A 31 -2.300 -2.262 6.082 1.00 0.20 H new ATOM 0 HB3 GLN A 31 -2.157 -4.002 6.233 1.00 0.20 H new ATOM 0 HG2 GLN A 31 -0.539 -2.004 7.845 1.00 0.30 H new ATOM 0 HG3 GLN A 31 -2.016 -2.765 8.402 1.00 0.30 H new ATOM 0 HE21 GLN A 31 -1.917 -5.072 8.874 1.00 2.18 H new ATOM 0 HE22 GLN A 31 -0.348 -5.854 9.095 1.00 2.18 H new ATOM 489 N ALA A 32 -1.577 -3.067 3.188 1.00 0.09 N ATOM 490 CA ALA A 32 -2.103 -3.630 1.962 1.00 0.09 C ATOM 491 C ALA A 32 -0.945 -3.878 1.022 1.00 0.06 C ATOM 492 O ALA A 32 -0.942 -4.829 0.243 1.00 0.08 O ATOM 493 CB ALA A 32 -3.126 -2.696 1.336 1.00 0.12 C ATOM 0 H ALA A 32 -1.742 -2.067 3.299 1.00 0.09 H new ATOM 0 HA ALA A 32 -2.614 -4.570 2.171 1.00 0.09 H new ATOM 0 HB1 ALA A 32 -3.508 -3.139 0.416 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -3.950 -2.539 2.033 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.655 -1.739 1.110 1.00 0.12 H new ATOM 499 N LEU A 33 0.068 -3.036 1.143 1.00 0.05 N ATOM 500 CA LEU A 33 1.268 -3.178 0.357 1.00 0.08 C ATOM 501 C LEU A 33 2.181 -4.245 0.935 1.00 0.09 C ATOM 502 O LEU A 33 3.015 -4.783 0.227 1.00 0.12 O ATOM 503 CB LEU A 33 2.012 -1.853 0.242 1.00 0.11 C ATOM 504 CG LEU A 33 1.565 -0.964 -0.914 1.00 0.14 C ATOM 505 CD1 LEU A 33 0.630 0.138 -0.454 1.00 0.13 C ATOM 506 CD2 LEU A 33 2.770 -0.380 -1.610 1.00 0.20 C ATOM 0 H LEU A 33 0.076 -2.243 1.785 1.00 0.05 H new ATOM 0 HA LEU A 33 0.966 -3.490 -0.643 1.00 0.08 H new ATOM 0 HB2 LEU A 33 1.889 -1.302 1.174 1.00 0.11 H new ATOM 0 HB3 LEU A 33 3.077 -2.059 0.132 1.00 0.11 H new ATOM 0 HG LEU A 33 1.009 -1.585 -1.616 1.00 0.14 H new ATOM 0 HD11 LEU A 33 0.337 0.747 -1.309 1.00 0.13 H new ATOM 0 HD12 LEU A 33 -0.258 -0.304 -0.001 1.00 0.13 H new ATOM 0 HD13 LEU A 33 1.138 0.764 0.280 1.00 0.13 H new ATOM 0 HD21 LEU A 33 2.443 0.254 -2.434 1.00 0.20 H new ATOM 0 HD22 LEU A 33 3.346 0.215 -0.902 1.00 0.20 H new ATOM 0 HD23 LEU A 33 3.393 -1.186 -1.997 1.00 0.20 H new ATOM 518 N ILE A 34 2.032 -4.554 2.215 1.00 0.08 N ATOM 519 CA ILE A 34 2.804 -5.637 2.808 1.00 0.11 C ATOM 520 C ILE A 34 2.265 -6.972 2.325 1.00 0.11 C ATOM 521 O ILE A 34 3.025 -7.898 2.040 1.00 0.19 O ATOM 522 CB ILE A 34 2.787 -5.613 4.354 1.00 0.16 C ATOM 523 CG1 ILE A 34 3.282 -4.259 4.869 1.00 0.20 C ATOM 524 CG2 ILE A 34 3.632 -6.753 4.914 1.00 0.22 C ATOM 525 CD1 ILE A 34 3.693 -4.262 6.325 1.00 0.34 C ATOM 0 H ILE A 34 1.395 -4.079 2.854 1.00 0.08 H new ATOM 0 HA ILE A 34 3.838 -5.499 2.491 1.00 0.11 H new ATOM 0 HB ILE A 34 1.762 -5.753 4.696 1.00 0.16 H new ATOM 0 HG12 ILE A 34 4.131 -3.941 4.264 1.00 0.20 H new ATOM 0 HG13 ILE A 34 2.495 -3.519 4.727 1.00 0.20 H new ATOM 0 HG21 ILE A 34 3.609 -6.722 6.003 1.00 0.22 H new ATOM 0 HG22 ILE A 34 3.231 -7.706 4.570 1.00 0.22 H new ATOM 0 HG23 ILE A 34 4.661 -6.647 4.569 1.00 0.22 H new ATOM 0 HD11 ILE A 34 4.031 -3.266 6.610 1.00 0.34 H new ATOM 0 HD12 ILE A 34 2.841 -4.547 6.943 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.503 -4.976 6.473 1.00 0.34 H new ATOM 537 N ALA A 35 0.945 -7.055 2.207 1.00 0.11 N ATOM 538 CA ALA A 35 0.307 -8.268 1.737 1.00 0.14 C ATOM 539 C ALA A 35 0.448 -8.414 0.221 1.00 0.12 C ATOM 540 O ALA A 35 0.349 -9.517 -0.310 1.00 0.19 O ATOM 541 CB ALA A 35 -1.157 -8.274 2.151 1.00 0.23 C ATOM 0 H ALA A 35 0.301 -6.296 2.431 1.00 0.11 H new ATOM 0 HA ALA A 35 0.805 -9.123 2.194 1.00 0.14 H new ATOM 0 HB1 ALA A 35 -1.632 -9.188 1.795 1.00 0.23 H new ATOM 0 HB2 ALA A 35 -1.228 -8.228 3.238 1.00 0.23 H new ATOM 0 HB3 ALA A 35 -1.661 -7.411 1.717 1.00 0.23 H new ATOM 547 N THR A 36 0.679 -7.300 -0.477 1.00 0.12 N ATOM 548 CA THR A 36 0.844 -7.338 -1.932 1.00 0.14 C ATOM 549 C THR A 36 2.313 -7.223 -2.355 1.00 0.14 C ATOM 550 O THR A 36 2.673 -7.573 -3.478 1.00 0.17 O ATOM 551 CB THR A 36 0.051 -6.206 -2.605 1.00 0.16 C ATOM 552 OG1 THR A 36 0.440 -4.945 -2.045 1.00 0.17 O ATOM 553 CG2 THR A 36 -1.443 -6.402 -2.420 1.00 0.17 C ATOM 0 H THR A 36 0.755 -6.370 -0.064 1.00 0.12 H new ATOM 0 HA THR A 36 0.463 -8.307 -2.255 1.00 0.14 H new ATOM 0 HB THR A 36 0.272 -6.222 -3.672 1.00 0.16 H new ATOM 0 HG1 THR A 36 -0.236 -4.652 -1.399 1.00 0.17 H new ATOM 0 HG21 THR A 36 -1.980 -5.587 -2.906 1.00 0.17 H new ATOM 0 HG22 THR A 36 -1.743 -7.351 -2.865 1.00 0.17 H new ATOM 0 HG23 THR A 36 -1.680 -6.409 -1.356 1.00 0.17 H new ATOM 561 N GLY A 37 3.153 -6.732 -1.453 1.00 0.14 N ATOM 562 CA GLY A 37 4.573 -6.600 -1.735 1.00 0.17 C ATOM 563 C GLY A 37 4.897 -5.427 -2.643 1.00 0.20 C ATOM 564 O GLY A 37 5.882 -5.469 -3.380 1.00 0.29 O ATOM 0 H GLY A 37 2.875 -6.420 -0.523 1.00 0.14 H new ATOM 0 HA2 GLY A 37 5.114 -6.484 -0.796 1.00 0.17 H new ATOM 0 HA3 GLY A 37 4.932 -7.519 -2.198 1.00 0.17 H new ATOM 568 N GLY A 38 4.080 -4.374 -2.600 1.00 0.17 N ATOM 569 CA GLY A 38 4.379 -3.192 -3.377 1.00 0.25 C ATOM 570 C GLY A 38 3.520 -3.111 -4.610 1.00 0.21 C ATOM 571 O GLY A 38 3.727 -2.256 -5.470 1.00 0.37 O ATOM 0 H GLY A 38 3.226 -4.323 -2.045 1.00 0.17 H new ATOM 0 HA2 GLY A 38 4.223 -2.304 -2.765 1.00 0.25 H new ATOM 0 HA3 GLY A 38 5.430 -3.201 -3.665 1.00 0.25 H new ATOM 575 N ASP A 39 2.522 -3.978 -4.675 1.00 0.11 N ATOM 576 CA ASP A 39 1.618 -3.983 -5.802 1.00 0.14 C ATOM 577 C ASP A 39 0.414 -3.185 -5.405 1.00 0.13 C ATOM 578 O ASP A 39 -0.558 -3.701 -4.852 1.00 0.16 O ATOM 579 CB ASP A 39 1.203 -5.387 -6.248 1.00 0.20 C ATOM 580 CG ASP A 39 0.359 -5.331 -7.511 1.00 0.28 C ATOM 581 OD1 ASP A 39 -0.863 -5.104 -7.410 1.00 0.52 O ATOM 582 OD2 ASP A 39 0.923 -5.481 -8.612 1.00 0.64 O ATOM 0 H ASP A 39 2.322 -4.681 -3.963 1.00 0.11 H new ATOM 0 HA ASP A 39 2.130 -3.549 -6.661 1.00 0.14 H new ATOM 0 HB2 ASP A 39 2.091 -5.993 -6.427 1.00 0.20 H new ATOM 0 HB3 ASP A 39 0.640 -5.874 -5.452 1.00 0.20 H new ATOM 587 N ILE A 40 0.520 -1.905 -5.643 1.00 0.15 N ATOM 588 CA ILE A 40 -0.431 -0.958 -5.143 1.00 0.17 C ATOM 589 C ILE A 40 -1.803 -1.178 -5.744 1.00 0.19 C ATOM 590 O ILE A 40 -2.806 -0.864 -5.123 1.00 0.22 O ATOM 591 CB ILE A 40 0.074 0.450 -5.397 1.00 0.20 C ATOM 592 CG1 ILE A 40 -0.539 1.378 -4.364 1.00 0.25 C ATOM 593 CG2 ILE A 40 -0.197 0.903 -6.831 1.00 0.29 C ATOM 594 CD1 ILE A 40 -1.714 2.191 -4.854 1.00 0.52 C ATOM 0 H ILE A 40 1.273 -1.491 -6.192 1.00 0.15 H new ATOM 0 HA ILE A 40 -0.538 -1.101 -4.068 1.00 0.17 H new ATOM 0 HB ILE A 40 1.158 0.474 -5.290 1.00 0.20 H new ATOM 0 HG12 ILE A 40 -0.859 0.784 -3.508 1.00 0.25 H new ATOM 0 HG13 ILE A 40 0.232 2.061 -4.007 1.00 0.25 H new ATOM 0 HG21 ILE A 40 0.180 1.916 -6.970 1.00 0.29 H new ATOM 0 HG22 ILE A 40 0.305 0.230 -7.526 1.00 0.29 H new ATOM 0 HG23 ILE A 40 -1.270 0.886 -7.021 1.00 0.29 H new ATOM 0 HD11 ILE A 40 -2.082 2.822 -4.045 1.00 0.52 H new ATOM 0 HD12 ILE A 40 -1.400 2.817 -5.689 1.00 0.52 H new ATOM 0 HD13 ILE A 40 -2.509 1.521 -5.182 1.00 0.52 H new ATOM 606 N ASN A 41 -1.836 -1.762 -6.928 1.00 0.19 N ATOM 607 CA ASN A 41 -3.089 -2.046 -7.593 1.00 0.26 C ATOM 608 C ASN A 41 -3.906 -2.981 -6.720 1.00 0.24 C ATOM 609 O ASN A 41 -5.044 -2.685 -6.358 1.00 0.26 O ATOM 610 CB ASN A 41 -2.869 -2.704 -8.962 1.00 0.33 C ATOM 611 CG ASN A 41 -1.744 -2.079 -9.766 1.00 0.68 C ATOM 612 OD1 ASN A 41 -1.938 -1.096 -10.479 1.00 1.29 O ATOM 613 ND2 ASN A 41 -0.562 -2.678 -9.682 1.00 0.64 N ATOM 0 H ASN A 41 -1.006 -2.048 -7.448 1.00 0.19 H new ATOM 0 HA ASN A 41 -3.613 -1.103 -7.752 1.00 0.26 H new ATOM 0 HB2 ASN A 41 -2.655 -3.763 -8.816 1.00 0.33 H new ATOM 0 HB3 ASN A 41 -3.793 -2.642 -9.537 1.00 0.33 H new ATOM 0 HD21 ASN A 41 0.228 -2.325 -10.222 1.00 0.64 H new ATOM 0 HD22 ASN A 41 -0.444 -3.491 -9.078 1.00 0.64 H new ATOM 620 N ALA A 42 -3.290 -4.099 -6.348 1.00 0.22 N ATOM 621 CA ALA A 42 -3.934 -5.072 -5.491 1.00 0.22 C ATOM 622 C ALA A 42 -4.122 -4.509 -4.091 1.00 0.22 C ATOM 623 O ALA A 42 -5.069 -4.863 -3.397 1.00 0.29 O ATOM 624 CB ALA A 42 -3.124 -6.352 -5.450 1.00 0.22 C ATOM 0 H ALA A 42 -2.342 -4.348 -6.631 1.00 0.22 H new ATOM 0 HA ALA A 42 -4.918 -5.299 -5.900 1.00 0.22 H new ATOM 0 HB1 ALA A 42 -3.619 -7.075 -4.802 1.00 0.22 H new ATOM 0 HB2 ALA A 42 -3.042 -6.763 -6.456 1.00 0.22 H new ATOM 0 HB3 ALA A 42 -2.128 -6.140 -5.062 1.00 0.22 H new ATOM 630 N ALA A 43 -3.207 -3.632 -3.677 1.00 0.17 N ATOM 631 CA ALA A 43 -3.360 -2.914 -2.419 1.00 0.19 C ATOM 632 C ALA A 43 -4.705 -2.182 -2.378 1.00 0.22 C ATOM 633 O ALA A 43 -5.436 -2.266 -1.389 1.00 0.24 O ATOM 634 CB ALA A 43 -2.213 -1.936 -2.217 1.00 0.19 C ATOM 0 H ALA A 43 -2.358 -3.405 -4.194 1.00 0.17 H new ATOM 0 HA ALA A 43 -3.338 -3.639 -1.606 1.00 0.19 H new ATOM 0 HB1 ALA A 43 -2.346 -1.410 -1.272 1.00 0.19 H new ATOM 0 HB2 ALA A 43 -1.269 -2.481 -2.199 1.00 0.19 H new ATOM 0 HB3 ALA A 43 -2.201 -1.216 -3.035 1.00 0.19 H new ATOM 640 N ILE A 44 -5.045 -1.484 -3.466 1.00 0.24 N ATOM 641 CA ILE A 44 -6.327 -0.785 -3.548 1.00 0.28 C ATOM 642 C ILE A 44 -7.467 -1.797 -3.610 1.00 0.32 C ATOM 643 O ILE A 44 -8.526 -1.591 -3.022 1.00 0.38 O ATOM 644 CB ILE A 44 -6.429 0.136 -4.784 1.00 0.27 C ATOM 645 CG1 ILE A 44 -5.091 0.797 -5.086 1.00 0.37 C ATOM 646 CG2 ILE A 44 -7.475 1.210 -4.533 1.00 0.32 C ATOM 647 CD1 ILE A 44 -5.040 1.480 -6.434 1.00 0.36 C ATOM 0 H ILE A 44 -4.456 -1.389 -4.293 1.00 0.24 H new ATOM 0 HA ILE A 44 -6.399 -0.165 -2.655 1.00 0.28 H new ATOM 0 HB ILE A 44 -6.716 -0.473 -5.641 1.00 0.27 H new ATOM 0 HG12 ILE A 44 -4.875 1.530 -4.309 1.00 0.37 H new ATOM 0 HG13 ILE A 44 -4.305 0.043 -5.041 1.00 0.37 H new ATOM 0 HG21 ILE A 44 -7.546 1.859 -5.406 1.00 0.32 H new ATOM 0 HG22 ILE A 44 -8.442 0.741 -4.350 1.00 0.32 H new ATOM 0 HG23 ILE A 44 -7.188 1.801 -3.663 1.00 0.32 H new ATOM 0 HD11 ILE A 44 -4.057 1.928 -6.578 1.00 0.36 H new ATOM 0 HD12 ILE A 44 -5.224 0.748 -7.220 1.00 0.36 H new ATOM 0 HD13 ILE A 44 -5.802 2.258 -6.477 1.00 0.36 H new ATOM 659 N GLU A 45 -7.230 -2.897 -4.318 1.00 0.31 N ATOM 660 CA GLU A 45 -8.224 -3.960 -4.451 1.00 0.39 C ATOM 661 C GLU A 45 -8.489 -4.630 -3.106 1.00 0.35 C ATOM 662 O GLU A 45 -9.523 -5.265 -2.910 1.00 0.41 O ATOM 663 CB GLU A 45 -7.777 -5.006 -5.474 1.00 0.51 C ATOM 664 CG GLU A 45 -7.582 -4.448 -6.875 1.00 1.14 C ATOM 665 CD GLU A 45 -7.321 -5.531 -7.900 1.00 1.68 C ATOM 666 OE1 GLU A 45 -6.297 -6.236 -7.776 1.00 2.35 O ATOM 667 OE2 GLU A 45 -8.135 -5.688 -8.833 1.00 2.01 O ATOM 0 H GLU A 45 -6.355 -3.077 -4.811 1.00 0.31 H new ATOM 0 HA GLU A 45 -9.149 -3.502 -4.803 1.00 0.39 H new ATOM 0 HB2 GLU A 45 -6.842 -5.454 -5.138 1.00 0.51 H new ATOM 0 HB3 GLU A 45 -8.518 -5.805 -5.511 1.00 0.51 H new ATOM 0 HG2 GLU A 45 -8.469 -3.884 -7.165 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -6.747 -3.748 -6.871 1.00 1.14 H new ATOM 674 N ARG A 46 -7.545 -4.493 -2.185 1.00 0.29 N ATOM 675 CA ARG A 46 -7.720 -5.014 -0.834 1.00 0.30 C ATOM 676 C ARG A 46 -8.419 -3.991 0.056 1.00 0.30 C ATOM 677 O ARG A 46 -9.286 -4.344 0.854 1.00 0.38 O ATOM 678 CB ARG A 46 -6.377 -5.402 -0.218 1.00 0.37 C ATOM 679 CG ARG A 46 -5.707 -6.580 -0.899 1.00 0.47 C ATOM 680 CD ARG A 46 -4.426 -6.962 -0.183 1.00 0.53 C ATOM 681 NE ARG A 46 -3.754 -8.105 -0.809 1.00 1.35 N ATOM 682 CZ ARG A 46 -3.435 -9.242 -0.178 1.00 1.50 C ATOM 683 NH1 ARG A 46 -3.944 -9.528 1.020 1.00 1.48 N ATOM 684 NH2 ARG A 46 -2.653 -10.129 -0.779 1.00 2.47 N ATOM 0 H ARG A 46 -6.652 -4.027 -2.347 1.00 0.29 H new ATOM 0 HA ARG A 46 -8.343 -5.906 -0.904 1.00 0.30 H new ATOM 0 HB2 ARG A 46 -5.708 -4.543 -0.258 1.00 0.37 H new ATOM 0 HB3 ARG A 46 -6.526 -5.640 0.835 1.00 0.37 H new ATOM 0 HG2 ARG A 46 -6.387 -7.431 -0.914 1.00 0.47 H new ATOM 0 HG3 ARG A 46 -5.487 -6.329 -1.937 1.00 0.47 H new ATOM 0 HD2 ARG A 46 -3.750 -6.107 -0.174 1.00 0.53 H new ATOM 0 HD3 ARG A 46 -4.652 -7.201 0.856 1.00 0.53 H new ATOM 0 HE ARG A 46 -3.512 -8.028 -1.797 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -4.587 -8.876 1.470 1.00 1.48 H new ATOM 0 HH12 ARG A 46 -3.691 -10.399 1.487 1.00 1.48 H new ATOM 0 HH21 ARG A 46 -2.298 -9.943 -1.717 1.00 2.47 H new ATOM 0 HH22 ARG A 46 -2.407 -10.997 -0.303 1.00 2.47 H new ATOM 698 N LEU A 47 -8.040 -2.723 -0.085 1.00 0.27 N ATOM 699 CA LEU A 47 -8.673 -1.646 0.671 1.00 0.28 C ATOM 700 C LEU A 47 -10.160 -1.556 0.339 1.00 0.36 C ATOM 701 O LEU A 47 -11.006 -1.472 1.232 1.00 0.45 O ATOM 702 CB LEU A 47 -7.983 -0.316 0.374 1.00 0.27 C ATOM 703 CG LEU A 47 -6.522 -0.224 0.824 1.00 0.20 C ATOM 704 CD1 LEU A 47 -5.897 1.065 0.328 1.00 0.23 C ATOM 705 CD2 LEU A 47 -6.414 -0.307 2.340 1.00 0.26 C ATOM 0 H LEU A 47 -7.299 -2.417 -0.715 1.00 0.27 H new ATOM 0 HA LEU A 47 -8.571 -1.866 1.734 1.00 0.28 H new ATOM 0 HB2 LEU A 47 -8.028 -0.134 -0.700 1.00 0.27 H new ATOM 0 HB3 LEU A 47 -8.546 0.483 0.857 1.00 0.27 H new ATOM 0 HG LEU A 47 -5.982 -1.068 0.394 1.00 0.20 H new ATOM 0 HD11 LEU A 47 -4.859 1.116 0.656 1.00 0.23 H new ATOM 0 HD12 LEU A 47 -5.935 1.092 -0.761 1.00 0.23 H new ATOM 0 HD13 LEU A 47 -6.447 1.915 0.732 1.00 0.23 H new ATOM 0 HD21 LEU A 47 -5.367 -0.239 2.634 1.00 0.26 H new ATOM 0 HD22 LEU A 47 -6.971 0.515 2.790 1.00 0.26 H new ATOM 0 HD23 LEU A 47 -6.827 -1.256 2.683 1.00 0.26 H new ATOM 717 N LEU A 48 -10.468 -1.575 -0.949 1.00 0.38 N ATOM 718 CA LEU A 48 -11.846 -1.632 -1.407 1.00 0.53 C ATOM 719 C LEU A 48 -12.413 -3.013 -1.159 1.00 0.64 C ATOM 720 O LEU A 48 -13.605 -3.167 -0.904 1.00 0.76 O ATOM 721 CB LEU A 48 -11.949 -1.297 -2.900 1.00 0.65 C ATOM 722 CG LEU A 48 -12.096 0.189 -3.243 1.00 0.76 C ATOM 723 CD1 LEU A 48 -13.356 0.749 -2.596 1.00 1.76 C ATOM 724 CD2 LEU A 48 -10.862 0.972 -2.813 1.00 0.96 C ATOM 0 H LEU A 48 -9.777 -1.552 -1.699 1.00 0.38 H new ATOM 0 HA LEU A 48 -12.418 -0.892 -0.848 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -11.060 -1.679 -3.401 1.00 0.65 H new ATOM 0 HB3 LEU A 48 -12.803 -1.832 -3.315 1.00 0.65 H new ATOM 0 HG LEU A 48 -12.187 0.291 -4.324 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -13.454 1.806 -2.844 1.00 1.76 H new ATOM 0 HD12 LEU A 48 -14.227 0.207 -2.966 1.00 1.76 H new ATOM 0 HD13 LEU A 48 -13.291 0.635 -1.514 1.00 1.76 H new ATOM 0 HD21 LEU A 48 -10.992 2.024 -3.068 1.00 0.96 H new ATOM 0 HD22 LEU A 48 -10.726 0.874 -1.736 1.00 0.96 H new ATOM 0 HD23 LEU A 48 -9.985 0.580 -3.327 1.00 0.96 H new ATOM 736 N GLY A 49 -11.546 -4.011 -1.247 1.00 0.64 N ATOM 737 CA GLY A 49 -11.976 -5.373 -1.068 1.00 0.81 C ATOM 738 C GLY A 49 -12.859 -5.803 -2.198 1.00 1.05 C ATOM 739 O GLY A 49 -14.070 -5.928 -2.020 1.00 1.28 O ATOM 0 H GLY A 49 -10.551 -3.896 -1.440 1.00 0.64 H new ATOM 0 HA2 GLY A 49 -11.107 -6.029 -1.009 1.00 0.81 H new ATOM 0 HA3 GLY A 49 -12.513 -5.469 -0.124 1.00 0.81 H new ATOM 743 N SER A 50 -12.228 -5.999 -3.357 1.00 1.83 N ATOM 744 CA SER A 50 -12.903 -6.368 -4.600 1.00 3.08 C ATOM 745 C SER A 50 -14.089 -7.289 -4.350 1.00 3.74 C ATOM 746 O SER A 50 -13.941 -8.498 -4.159 1.00 4.31 O ATOM 747 CB SER A 50 -11.904 -7.034 -5.550 1.00 3.61 C ATOM 748 OG SER A 50 -10.818 -6.164 -5.825 1.00 3.14 O ATOM 0 H SER A 50 -11.218 -5.904 -3.459 1.00 1.83 H new ATOM 0 HA SER A 50 -13.291 -5.457 -5.056 1.00 3.08 H new ATOM 0 HB2 SER A 50 -11.533 -7.958 -5.106 1.00 3.61 H new ATOM 0 HB3 SER A 50 -12.404 -7.305 -6.480 1.00 3.61 H new ATOM 0 HG SER A 50 -10.275 -6.538 -6.550 1.00 3.14 H new ATOM 754 N GLN A 51 -15.265 -6.688 -4.342 1.00 3.84 N ATOM 755 CA GLN A 51 -16.488 -7.399 -4.067 1.00 4.55 C ATOM 756 C GLN A 51 -17.305 -7.501 -5.342 1.00 5.54 C ATOM 757 O GLN A 51 -18.142 -6.649 -5.641 1.00 5.65 O ATOM 758 CB GLN A 51 -17.261 -6.692 -2.944 1.00 4.01 C ATOM 759 CG GLN A 51 -17.183 -5.168 -3.006 1.00 2.96 C ATOM 760 CD GLN A 51 -17.711 -4.500 -1.749 1.00 2.48 C ATOM 761 OE1 GLN A 51 -18.900 -4.205 -1.642 1.00 2.75 O ATOM 762 NE2 GLN A 51 -16.825 -4.245 -0.794 1.00 2.21 N ATOM 0 H GLN A 51 -15.393 -5.693 -4.527 1.00 3.84 H new ATOM 0 HA GLN A 51 -16.268 -8.410 -3.725 1.00 4.55 H new ATOM 0 HB2 GLN A 51 -18.307 -6.995 -2.989 1.00 4.01 H new ATOM 0 HB3 GLN A 51 -16.873 -7.027 -1.982 1.00 4.01 H new ATOM 0 HG2 GLN A 51 -16.147 -4.868 -3.164 1.00 2.96 H new ATOM 0 HG3 GLN A 51 -17.752 -4.814 -3.866 1.00 2.96 H new ATOM 0 HE21 GLN A 51 -15.847 -4.506 -0.922 1.00 2.21 H new ATOM 0 HE22 GLN A 51 -17.122 -3.788 0.068 1.00 2.21 H new ATOM 771 N LEU A 52 -17.014 -8.534 -6.110 1.00 6.35 N ATOM 772 CA LEU A 52 -17.644 -8.732 -7.402 1.00 7.37 C ATOM 773 C LEU A 52 -18.300 -10.100 -7.445 1.00 8.31 C ATOM 774 O LEU A 52 -17.697 -11.070 -7.905 1.00 9.00 O ATOM 775 CB LEU A 52 -16.626 -8.593 -8.543 1.00 7.77 C ATOM 776 CG LEU A 52 -15.921 -7.233 -8.652 1.00 7.13 C ATOM 777 CD1 LEU A 52 -14.719 -7.160 -7.719 1.00 6.91 C ATOM 778 CD2 LEU A 52 -15.498 -6.971 -10.090 1.00 7.10 C ATOM 0 H LEU A 52 -16.338 -9.256 -5.858 1.00 6.35 H new ATOM 0 HA LEU A 52 -18.403 -7.962 -7.538 1.00 7.37 H new ATOM 0 HB2 LEU A 52 -15.866 -9.365 -8.422 1.00 7.77 H new ATOM 0 HB3 LEU A 52 -17.136 -8.792 -9.485 1.00 7.77 H new ATOM 0 HG LEU A 52 -16.627 -6.460 -8.348 1.00 7.13 H new ATOM 0 HD11 LEU A 52 -14.240 -6.186 -7.818 1.00 6.91 H new ATOM 0 HD12 LEU A 52 -15.049 -7.299 -6.689 1.00 6.91 H new ATOM 0 HD13 LEU A 52 -14.007 -7.943 -7.981 1.00 6.91 H new ATOM 0 HD21 LEU A 52 -15.000 -6.004 -10.152 1.00 7.10 H new ATOM 0 HD22 LEU A 52 -14.813 -7.754 -10.416 1.00 7.10 H new ATOM 0 HD23 LEU A 52 -16.378 -6.968 -10.733 1.00 7.10 H new ATOM 790 N SER A 53 -19.525 -10.162 -6.938 1.00 8.34 N ATOM 791 CA SER A 53 -20.266 -11.411 -6.813 1.00 9.25 C ATOM 792 C SER A 53 -19.526 -12.367 -5.880 1.00 9.26 C ATOM 793 O SER A 53 -19.159 -13.475 -6.320 1.00 9.68 O ATOM 794 CB SER A 53 -20.481 -12.054 -8.190 1.00 9.66 C ATOM 795 OG SER A 53 -21.107 -11.146 -9.087 1.00 10.04 O ATOM 796 OXT SER A 53 -19.280 -11.983 -4.715 1.00 9.00 O ATOM 0 H SER A 53 -20.034 -9.345 -6.601 1.00 8.34 H new ATOM 0 HA SER A 53 -21.245 -11.195 -6.386 1.00 9.25 H new ATOM 0 HB2 SER A 53 -19.522 -12.372 -8.600 1.00 9.66 H new ATOM 0 HB3 SER A 53 -21.095 -12.948 -8.085 1.00 9.66 H new ATOM 0 HG SER A 53 -21.231 -11.579 -9.957 1.00 10.04 H new TER 802 SER A 53