USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 582 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 20 CYS SG : rot -164:sc= 0.379 USER MOD Set 1.2: A 69 TYR OH : rot 143:sc= 0.347 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= -0.063 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.359 K(o=-0.42,f=-4.6!) USER MOD Set 3.1: A 40 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.5!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 GLN :FLIP amide:sc= 1.03 F(o=-1.3,f=2.2) USER MOD Set 4.2: A 35 THR OG1 : rot -154:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0277) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.47 (180deg=1.09) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0451) USER MOD Single : A 10 MET CE :methyl -162:sc= -0.952 (180deg=-1.27) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.136 F(o=-1.6,f=0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 175:sc= -1.27 (180deg=-1.36) USER MOD Single : A 16 THR OG1 : rot -47:sc= 0.671 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.866 (180deg=0.581) USER MOD Single : A 31 MET CE :methyl -169:sc= -0.172 (180deg=-0.192) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.43) USER MOD Single : A 50 TYR OH : rot 171:sc= 0 USER MOD Single : A 55 THR OG1 : rot 105:sc= 1.28 USER MOD Single : A 63 LYS NZ :NH3+ -120:sc= 0.00135 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.908 0.352 -25.560 1.00 5.28 N ATOM 2 CA MET A 1 8.617 -0.323 -25.340 1.00 4.04 C ATOM 3 C MET A 1 7.652 0.738 -24.830 1.00 2.76 C ATOM 4 O MET A 1 8.127 1.792 -24.410 1.00 3.06 O ATOM 5 CB MET A 1 8.760 -1.451 -24.309 1.00 5.22 C ATOM 6 CG MET A 1 9.442 -2.723 -24.841 1.00 6.74 C ATOM 7 SD MET A 1 11.017 -2.519 -25.718 1.00 8.02 S ATOM 8 CE MET A 1 10.463 -2.623 -27.437 1.00 8.38 C ATOM 0 H1 MET A 1 10.669 -0.356 -25.594 1.00 5.28 H new ATOM 0 H2 MET A 1 9.879 0.873 -26.460 1.00 5.28 H new ATOM 0 H3 MET A 1 10.089 1.017 -24.781 1.00 5.28 H new ATOM 0 HA MET A 1 8.256 -0.776 -26.263 1.00 4.04 H new ATOM 0 HB2 MET A 1 9.330 -1.078 -23.458 1.00 5.22 H new ATOM 0 HB3 MET A 1 7.769 -1.714 -23.938 1.00 5.22 H new ATOM 0 HG2 MET A 1 9.610 -3.393 -23.998 1.00 6.74 H new ATOM 0 HG3 MET A 1 8.745 -3.224 -25.512 1.00 6.74 H new ATOM 0 HE1 MET A 1 11.329 -2.640 -28.098 1.00 8.38 H new ATOM 0 HE2 MET A 1 9.881 -3.534 -27.577 1.00 8.38 H new ATOM 0 HE3 MET A 1 9.844 -1.757 -27.673 1.00 8.38 H new ATOM 20 N LEU A 2 6.348 0.466 -24.865 1.00 2.67 N ATOM 21 CA LEU A 2 5.383 1.253 -24.114 1.00 2.51 C ATOM 22 C LEU A 2 5.462 0.818 -22.650 1.00 2.13 C ATOM 23 O LEU A 2 5.670 -0.364 -22.380 1.00 2.60 O ATOM 24 CB LEU A 2 3.964 1.093 -24.683 1.00 3.74 C ATOM 25 CG LEU A 2 3.504 -0.367 -24.869 1.00 4.96 C ATOM 26 CD1 LEU A 2 2.035 -0.510 -24.456 1.00 6.11 C ATOM 27 CD2 LEU A 2 3.657 -0.817 -26.330 1.00 6.15 C ATOM 0 H LEU A 2 5.940 -0.295 -25.407 1.00 2.67 H new ATOM 0 HA LEU A 2 5.620 2.314 -24.195 1.00 2.51 H new ATOM 0 HB2 LEU A 2 3.262 1.599 -24.020 1.00 3.74 H new ATOM 0 HB3 LEU A 2 3.914 1.601 -25.646 1.00 3.74 H new ATOM 0 HG LEU A 2 4.133 -0.996 -24.239 1.00 4.96 H new ATOM 0 HD11 LEU A 2 1.718 -1.544 -24.591 1.00 6.11 H new ATOM 0 HD12 LEU A 2 1.922 -0.229 -23.409 1.00 6.11 H new ATOM 0 HD13 LEU A 2 1.418 0.142 -25.075 1.00 6.11 H new ATOM 0 HD21 LEU A 2 3.325 -1.850 -26.429 1.00 6.15 H new ATOM 0 HD22 LEU A 2 3.052 -0.178 -26.973 1.00 6.15 H new ATOM 0 HD23 LEU A 2 4.703 -0.742 -26.626 1.00 6.15 H new ATOM 39 N SER A 3 5.322 1.774 -21.733 1.00 1.85 N ATOM 40 CA SER A 3 5.233 1.542 -20.304 1.00 1.52 C ATOM 41 C SER A 3 4.357 2.659 -19.750 1.00 1.18 C ATOM 42 O SER A 3 4.426 3.781 -20.257 1.00 1.38 O ATOM 43 CB SER A 3 6.621 1.616 -19.652 1.00 1.65 C ATOM 44 OG SER A 3 7.538 0.727 -20.263 1.00 2.85 O ATOM 0 H SER A 3 5.266 2.762 -21.979 1.00 1.85 H new ATOM 0 HA SER A 3 4.823 0.554 -20.097 1.00 1.52 H new ATOM 0 HB2 SER A 3 7.001 2.635 -19.722 1.00 1.65 H new ATOM 0 HB3 SER A 3 6.537 1.379 -18.591 1.00 1.65 H new ATOM 0 HG SER A 3 8.410 0.803 -19.823 1.00 2.85 H new ATOM 50 N GLU A 4 3.578 2.376 -18.709 1.00 0.82 N ATOM 51 CA GLU A 4 2.750 3.350 -18.035 1.00 0.53 C ATOM 52 C GLU A 4 2.474 2.822 -16.632 1.00 0.44 C ATOM 53 O GLU A 4 2.421 1.612 -16.412 1.00 0.61 O ATOM 54 CB GLU A 4 1.458 3.635 -18.821 1.00 0.77 C ATOM 55 CG GLU A 4 0.724 2.379 -19.322 1.00 1.44 C ATOM 56 CD GLU A 4 1.202 1.936 -20.701 1.00 2.22 C ATOM 57 OE1 GLU A 4 0.749 2.566 -21.682 1.00 2.72 O ATOM 58 OE2 GLU A 4 2.007 0.981 -20.758 1.00 3.72 O ATOM 0 H GLU A 4 3.509 1.440 -18.308 1.00 0.82 H new ATOM 0 HA GLU A 4 3.264 4.309 -17.970 1.00 0.53 H new ATOM 0 HB2 GLU A 4 0.781 4.207 -18.187 1.00 0.77 H new ATOM 0 HB3 GLU A 4 1.700 4.264 -19.677 1.00 0.77 H new ATOM 0 HG2 GLU A 4 0.873 1.567 -18.611 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -0.347 2.578 -19.359 1.00 1.44 H new ATOM 65 N GLN A 5 2.332 3.746 -15.685 1.00 0.30 N ATOM 66 CA GLN A 5 2.062 3.428 -14.296 1.00 0.24 C ATOM 67 C GLN A 5 0.563 3.283 -14.054 1.00 0.24 C ATOM 68 O GLN A 5 -0.246 3.600 -14.927 1.00 0.33 O ATOM 69 CB GLN A 5 2.692 4.490 -13.393 1.00 0.24 C ATOM 70 CG GLN A 5 2.187 5.924 -13.615 1.00 0.24 C ATOM 71 CD GLN A 5 2.896 6.936 -12.715 1.00 0.36 C ATOM 72 OE1 GLN A 5 3.493 6.478 -11.618 1.00 0.63 O flip ATOM 73 NE2 GLN A 5 2.898 8.128 -13.001 1.00 0.40 N flip ATOM 0 H GLN A 5 2.403 4.747 -15.869 1.00 0.30 H new ATOM 0 HA GLN A 5 2.514 2.467 -14.051 1.00 0.24 H new ATOM 0 HB2 GLN A 5 2.509 4.215 -12.354 1.00 0.24 H new ATOM 0 HB3 GLN A 5 3.772 4.476 -13.542 1.00 0.24 H new ATOM 0 HG2 GLN A 5 2.337 6.202 -14.658 1.00 0.24 H new ATOM 0 HG3 GLN A 5 1.114 5.962 -13.426 1.00 0.24 H new ATOM 0 HE21 GLN A 5 2.432 8.450 -13.849 1.00 0.40 H new ATOM 0 HE22 GLN A 5 3.366 8.798 -12.391 1.00 0.40 H new ATOM 82 N LYS A 6 0.181 2.836 -12.855 1.00 0.21 N ATOM 83 CA LYS A 6 -1.222 2.780 -12.485 1.00 0.23 C ATOM 84 C LYS A 6 -1.367 2.958 -10.978 1.00 0.20 C ATOM 85 O LYS A 6 -0.410 2.774 -10.223 1.00 0.23 O ATOM 86 CB LYS A 6 -1.839 1.440 -12.924 1.00 0.32 C ATOM 87 CG LYS A 6 -2.576 1.539 -14.270 1.00 0.61 C ATOM 88 CD LYS A 6 -3.705 0.498 -14.370 1.00 1.29 C ATOM 89 CE LYS A 6 -4.974 0.885 -13.588 1.00 1.98 C ATOM 90 NZ LYS A 6 -5.686 2.035 -14.186 1.00 2.37 N ATOM 0 H LYS A 6 0.824 2.511 -12.133 1.00 0.21 H new ATOM 0 HA LYS A 6 -1.752 3.587 -12.991 1.00 0.23 H new ATOM 0 HB2 LYS A 6 -1.052 0.690 -13.000 1.00 0.32 H new ATOM 0 HB3 LYS A 6 -2.534 1.096 -12.158 1.00 0.32 H new ATOM 0 HG2 LYS A 6 -2.991 2.540 -14.387 1.00 0.61 H new ATOM 0 HG3 LYS A 6 -1.869 1.390 -15.086 1.00 0.61 H new ATOM 0 HD2 LYS A 6 -3.964 0.356 -15.419 1.00 1.29 H new ATOM 0 HD3 LYS A 6 -3.338 -0.459 -14.000 1.00 1.29 H new ATOM 0 HE2 LYS A 6 -5.646 0.028 -13.548 1.00 1.98 H new ATOM 0 HE3 LYS A 6 -4.703 1.126 -12.560 1.00 1.98 H new ATOM 0 HZ1 LYS A 6 -6.590 2.178 -13.693 1.00 2.37 H new ATOM 0 HZ2 LYS A 6 -5.102 2.891 -14.094 1.00 2.37 H new ATOM 0 HZ3 LYS A 6 -5.867 1.846 -15.193 1.00 2.37 H new ATOM 104 N GLU A 7 -2.598 3.279 -10.574 1.00 0.24 N ATOM 105 CA GLU A 7 -3.060 3.184 -9.208 1.00 0.32 C ATOM 106 C GLU A 7 -3.509 1.749 -8.930 1.00 0.41 C ATOM 107 O GLU A 7 -3.939 1.033 -9.837 1.00 0.79 O ATOM 108 CB GLU A 7 -4.223 4.160 -8.978 1.00 0.46 C ATOM 109 CG GLU A 7 -5.331 4.035 -10.041 1.00 0.70 C ATOM 110 CD GLU A 7 -6.690 4.447 -9.492 1.00 1.58 C ATOM 111 OE1 GLU A 7 -7.085 3.854 -8.465 1.00 2.95 O ATOM 112 OE2 GLU A 7 -7.315 5.320 -10.129 1.00 1.85 O ATOM 0 H GLU A 7 -3.314 3.621 -11.215 1.00 0.24 H new ATOM 0 HA GLU A 7 -2.250 3.447 -8.528 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -4.651 3.981 -7.992 1.00 0.46 H new ATOM 0 HB3 GLU A 7 -3.840 5.180 -8.979 1.00 0.46 H new ATOM 0 HG2 GLU A 7 -5.082 4.658 -10.900 1.00 0.70 H new ATOM 0 HG3 GLU A 7 -5.379 3.006 -10.396 1.00 0.70 H new ATOM 119 N ILE A 8 -3.435 1.351 -7.665 1.00 0.28 N ATOM 120 CA ILE A 8 -4.129 0.214 -7.103 1.00 0.28 C ATOM 121 C ILE A 8 -4.791 0.705 -5.816 1.00 0.31 C ATOM 122 O ILE A 8 -4.287 1.657 -5.218 1.00 0.32 O ATOM 123 CB ILE A 8 -3.101 -0.904 -6.854 1.00 0.26 C ATOM 124 CG1 ILE A 8 -3.728 -2.299 -6.947 1.00 0.52 C ATOM 125 CG2 ILE A 8 -2.368 -0.714 -5.524 1.00 0.44 C ATOM 126 CD1 ILE A 8 -3.918 -2.654 -8.422 1.00 1.09 C ATOM 0 H ILE A 8 -2.861 1.839 -6.977 1.00 0.28 H new ATOM 0 HA ILE A 8 -4.895 -0.195 -7.762 1.00 0.28 H new ATOM 0 HB ILE A 8 -2.362 -0.830 -7.652 1.00 0.26 H new ATOM 0 HG12 ILE A 8 -3.087 -3.034 -6.461 1.00 0.52 H new ATOM 0 HG13 ILE A 8 -4.686 -2.318 -6.427 1.00 0.52 H new ATOM 0 HG21 ILE A 8 -1.651 -1.523 -5.385 1.00 0.44 H new ATOM 0 HG22 ILE A 8 -1.841 0.240 -5.532 1.00 0.44 H new ATOM 0 HG23 ILE A 8 -3.089 -0.723 -4.707 1.00 0.44 H new ATOM 0 HD11 ILE A 8 -4.364 -3.645 -8.503 1.00 1.09 H new ATOM 0 HD12 ILE A 8 -4.575 -1.921 -8.891 1.00 1.09 H new ATOM 0 HD13 ILE A 8 -2.951 -2.649 -8.925 1.00 1.09 H new ATOM 138 N ALA A 9 -5.869 0.046 -5.382 1.00 0.38 N ATOM 139 CA ALA A 9 -6.574 0.319 -4.135 1.00 0.44 C ATOM 140 C ALA A 9 -6.932 -1.013 -3.484 1.00 0.51 C ATOM 141 O ALA A 9 -7.417 -1.896 -4.189 1.00 0.58 O ATOM 142 CB ALA A 9 -7.825 1.153 -4.422 1.00 0.50 C ATOM 0 H ALA A 9 -6.287 -0.719 -5.912 1.00 0.38 H new ATOM 0 HA ALA A 9 -5.944 0.890 -3.453 1.00 0.44 H new ATOM 0 HB1 ALA A 9 -8.350 1.355 -3.488 1.00 0.50 H new ATOM 0 HB2 ALA A 9 -7.535 2.095 -4.887 1.00 0.50 H new ATOM 0 HB3 ALA A 9 -8.482 0.603 -5.096 1.00 0.50 H new ATOM 148 N MET A 10 -6.661 -1.192 -2.183 1.00 0.52 N ATOM 149 CA MET A 10 -6.911 -2.464 -1.509 1.00 0.56 C ATOM 150 C MET A 10 -7.080 -2.265 0.006 1.00 0.57 C ATOM 151 O MET A 10 -6.811 -1.175 0.516 1.00 0.54 O ATOM 152 CB MET A 10 -5.783 -3.447 -1.838 1.00 0.61 C ATOM 153 CG MET A 10 -4.427 -2.969 -1.317 1.00 0.69 C ATOM 154 SD MET A 10 -3.022 -3.948 -1.894 1.00 1.54 S ATOM 155 CE MET A 10 -2.630 -3.087 -3.414 1.00 1.89 C ATOM 0 H MET A 10 -6.269 -0.468 -1.581 1.00 0.52 H new ATOM 0 HA MET A 10 -7.848 -2.885 -1.873 1.00 0.56 H new ATOM 0 HB2 MET A 10 -6.014 -4.420 -1.404 1.00 0.61 H new ATOM 0 HB3 MET A 10 -5.727 -3.584 -2.918 1.00 0.61 H new ATOM 0 HG2 MET A 10 -4.280 -1.932 -1.618 1.00 0.69 H new ATOM 0 HG3 MET A 10 -4.443 -2.985 -0.227 1.00 0.69 H new ATOM 0 HE1 MET A 10 -2.015 -3.727 -4.047 1.00 1.89 H new ATOM 0 HE2 MET A 10 -3.552 -2.836 -3.938 1.00 1.89 H new ATOM 0 HE3 MET A 10 -2.084 -2.172 -3.184 1.00 1.89 H new ATOM 165 N GLN A 11 -7.526 -3.312 0.717 1.00 0.62 N ATOM 166 CA GLN A 11 -7.905 -3.240 2.126 1.00 0.58 C ATOM 167 C GLN A 11 -6.850 -3.944 2.973 1.00 0.61 C ATOM 168 O GLN A 11 -6.259 -4.928 2.528 1.00 0.70 O ATOM 169 CB GLN A 11 -9.302 -3.829 2.410 1.00 0.51 C ATOM 170 CG GLN A 11 -10.293 -3.860 1.238 1.00 0.52 C ATOM 171 CD GLN A 11 -10.203 -5.202 0.514 1.00 1.05 C ATOM 172 OE1 GLN A 11 -9.371 -5.295 -0.517 1.00 2.10 O flip ATOM 173 NE2 GLN A 11 -10.823 -6.176 0.922 1.00 0.91 N flip ATOM 0 H GLN A 11 -7.633 -4.244 0.318 1.00 0.62 H new ATOM 0 HA GLN A 11 -7.959 -2.184 2.392 1.00 0.58 H new ATOM 0 HB2 GLN A 11 -9.173 -4.849 2.773 1.00 0.51 H new ATOM 0 HB3 GLN A 11 -9.753 -3.257 3.221 1.00 0.51 H new ATOM 0 HG2 GLN A 11 -11.307 -3.702 1.604 1.00 0.52 H new ATOM 0 HG3 GLN A 11 -10.075 -3.048 0.545 1.00 0.52 H new ATOM 0 HE21 GLN A 11 -11.457 -6.081 1.716 1.00 0.91 H new ATOM 0 HE22 GLN A 11 -10.706 -7.082 0.468 1.00 0.91 H new ATOM 182 N VAL A 12 -6.618 -3.432 4.183 1.00 0.63 N ATOM 183 CA VAL A 12 -5.549 -3.876 5.070 1.00 0.63 C ATOM 184 C VAL A 12 -6.100 -4.306 6.428 1.00 0.70 C ATOM 185 O VAL A 12 -7.207 -3.930 6.807 1.00 0.83 O ATOM 186 CB VAL A 12 -4.480 -2.775 5.229 1.00 0.64 C ATOM 187 CG1 VAL A 12 -3.084 -3.376 5.343 1.00 0.63 C ATOM 188 CG2 VAL A 12 -4.425 -1.816 4.034 1.00 0.63 C ATOM 0 H VAL A 12 -7.182 -2.681 4.579 1.00 0.63 H new ATOM 0 HA VAL A 12 -5.075 -4.746 4.616 1.00 0.63 H new ATOM 0 HB VAL A 12 -4.769 -2.236 6.131 1.00 0.64 H new ATOM 0 HG11 VAL A 12 -2.352 -2.576 5.454 1.00 0.63 H new ATOM 0 HG12 VAL A 12 -3.040 -4.032 6.213 1.00 0.63 H new ATOM 0 HG13 VAL A 12 -2.861 -3.950 4.444 1.00 0.63 H new ATOM 0 HG21 VAL A 12 -3.654 -1.065 4.206 1.00 0.63 H new ATOM 0 HG22 VAL A 12 -4.191 -2.376 3.129 1.00 0.63 H new ATOM 0 HG23 VAL A 12 -5.391 -1.325 3.917 1.00 0.63 H new ATOM 198 N SER A 13 -5.317 -5.087 7.171 1.00 0.78 N ATOM 199 CA SER A 13 -5.573 -5.338 8.582 1.00 1.04 C ATOM 200 C SER A 13 -4.893 -4.288 9.469 1.00 1.21 C ATOM 201 O SER A 13 -4.041 -3.528 9.014 1.00 1.90 O ATOM 202 CB SER A 13 -5.124 -6.753 8.941 1.00 1.74 C ATOM 203 OG SER A 13 -5.734 -7.162 10.151 1.00 2.11 O ATOM 0 H SER A 13 -4.490 -5.561 6.809 1.00 0.78 H new ATOM 0 HA SER A 13 -6.644 -5.257 8.765 1.00 1.04 H new ATOM 0 HB2 SER A 13 -5.389 -7.442 8.139 1.00 1.74 H new ATOM 0 HB3 SER A 13 -4.039 -6.785 9.042 1.00 1.74 H new ATOM 0 HG SER A 13 -5.442 -8.071 10.373 1.00 2.11 H new ATOM 209 N GLY A 14 -5.280 -4.272 10.749 1.00 1.03 N ATOM 210 CA GLY A 14 -4.728 -3.427 11.804 1.00 1.30 C ATOM 211 C GLY A 14 -4.647 -1.939 11.449 1.00 1.22 C ATOM 212 O GLY A 14 -3.745 -1.239 11.911 1.00 1.98 O ATOM 0 H GLY A 14 -6.024 -4.880 11.090 1.00 1.03 H new ATOM 0 HA2 GLY A 14 -5.338 -3.541 12.700 1.00 1.30 H new ATOM 0 HA3 GLY A 14 -3.728 -3.783 12.052 1.00 1.30 H new ATOM 216 N MET A 15 -5.599 -1.441 10.658 1.00 0.92 N ATOM 217 CA MET A 15 -5.667 -0.065 10.209 1.00 1.14 C ATOM 218 C MET A 15 -6.817 0.646 10.924 1.00 1.80 C ATOM 219 O MET A 15 -7.271 0.193 11.970 1.00 1.27 O ATOM 220 CB MET A 15 -5.800 -0.060 8.679 1.00 1.30 C ATOM 221 CG MET A 15 -7.196 -0.510 8.234 1.00 1.40 C ATOM 222 SD MET A 15 -7.374 -0.945 6.490 1.00 3.09 S ATOM 223 CE MET A 15 -6.779 0.527 5.645 1.00 4.02 C ATOM 0 H MET A 15 -6.367 -2.012 10.305 1.00 0.92 H new ATOM 0 HA MET A 15 -4.761 0.486 10.460 1.00 1.14 H new ATOM 0 HB2 MET A 15 -5.601 0.942 8.299 1.00 1.30 H new ATOM 0 HB3 MET A 15 -5.049 -0.720 8.245 1.00 1.30 H new ATOM 0 HG2 MET A 15 -7.485 -1.373 8.834 1.00 1.40 H new ATOM 0 HG3 MET A 15 -7.902 0.288 8.462 1.00 1.40 H new ATOM 0 HE1 MET A 15 -6.757 0.346 4.570 1.00 4.02 H new ATOM 0 HE2 MET A 15 -7.445 1.363 5.858 1.00 4.02 H new ATOM 0 HE3 MET A 15 -5.774 0.765 5.993 1.00 4.02 H new ATOM 233 N THR A 16 -7.267 1.771 10.360 1.00 3.32 N ATOM 234 CA THR A 16 -8.391 2.593 10.817 1.00 4.30 C ATOM 235 C THR A 16 -8.297 3.000 12.289 1.00 2.93 C ATOM 236 O THR A 16 -9.300 3.380 12.891 1.00 3.86 O ATOM 237 CB THR A 16 -9.755 2.002 10.415 1.00 6.54 C ATOM 238 OG1 THR A 16 -10.730 3.008 10.588 1.00 7.97 O ATOM 239 CG2 THR A 16 -10.192 0.762 11.199 1.00 6.60 C ATOM 0 H THR A 16 -6.830 2.155 9.522 1.00 3.32 H new ATOM 0 HA THR A 16 -8.311 3.536 10.276 1.00 4.30 H new ATOM 0 HB THR A 16 -9.651 1.672 9.382 1.00 6.54 H new ATOM 0 HG1 THR A 16 -10.611 3.432 11.463 1.00 7.97 H new ATOM 0 HG21 THR A 16 -11.164 0.427 10.838 1.00 6.60 H new ATOM 0 HG22 THR A 16 -9.460 -0.033 11.060 1.00 6.60 H new ATOM 0 HG23 THR A 16 -10.264 1.008 12.258 1.00 6.60 H new ATOM 247 N CYS A 17 -7.089 2.941 12.850 1.00 1.25 N ATOM 248 CA CYS A 17 -6.856 3.042 14.277 1.00 2.20 C ATOM 249 C CYS A 17 -6.287 4.419 14.609 1.00 2.18 C ATOM 250 O CYS A 17 -6.793 5.117 15.481 1.00 3.82 O ATOM 251 CB CYS A 17 -5.917 1.906 14.678 1.00 3.58 C ATOM 252 SG CYS A 17 -5.896 1.839 16.483 1.00 6.00 S ATOM 0 H CYS A 17 -6.233 2.819 12.308 1.00 1.25 H new ATOM 0 HA CYS A 17 -7.783 2.943 14.842 1.00 2.20 H new ATOM 0 HB2 CYS A 17 -6.260 0.959 14.262 1.00 3.58 H new ATOM 0 HB3 CYS A 17 -4.914 2.080 14.288 1.00 3.58 H new ATOM 0 HG CYS A 17 -5.108 0.881 16.873 1.00 6.00 H new ATOM 258 N ALA A 18 -5.266 4.829 13.849 1.00 1.68 N ATOM 259 CA ALA A 18 -4.767 6.195 13.810 1.00 1.65 C ATOM 260 C ALA A 18 -3.987 6.389 12.504 1.00 1.82 C ATOM 261 O ALA A 18 -4.595 6.572 11.454 1.00 3.50 O ATOM 262 CB ALA A 18 -3.952 6.516 15.071 1.00 1.69 C ATOM 0 H ALA A 18 -4.755 4.199 13.231 1.00 1.68 H new ATOM 0 HA ALA A 18 -5.591 6.909 13.814 1.00 1.65 H new ATOM 0 HB1 ALA A 18 -3.590 7.543 15.018 1.00 1.69 H new ATOM 0 HB2 ALA A 18 -4.583 6.399 15.952 1.00 1.69 H new ATOM 0 HB3 ALA A 18 -3.104 5.835 15.139 1.00 1.69 H new ATOM 268 N ALA A 19 -2.652 6.302 12.543 1.00 1.16 N ATOM 269 CA ALA A 19 -1.777 6.565 11.398 1.00 0.91 C ATOM 270 C ALA A 19 -1.166 5.268 10.847 1.00 0.79 C ATOM 271 O ALA A 19 -0.058 5.263 10.313 1.00 0.76 O ATOM 272 CB ALA A 19 -0.695 7.555 11.840 1.00 1.08 C ATOM 0 H ALA A 19 -2.142 6.042 13.387 1.00 1.16 H new ATOM 0 HA ALA A 19 -2.358 6.998 10.583 1.00 0.91 H new ATOM 0 HB1 ALA A 19 -0.031 7.766 11.002 1.00 1.08 H new ATOM 0 HB2 ALA A 19 -1.163 8.481 12.174 1.00 1.08 H new ATOM 0 HB3 ALA A 19 -0.120 7.124 12.659 1.00 1.08 H new ATOM 278 N CYS A 20 -1.890 4.155 10.979 1.00 0.88 N ATOM 279 CA CYS A 20 -1.361 2.826 10.678 1.00 0.98 C ATOM 280 C CYS A 20 -1.175 2.691 9.174 1.00 0.82 C ATOM 281 O CYS A 20 -0.049 2.581 8.697 1.00 0.75 O ATOM 282 CB CYS A 20 -2.312 1.730 11.178 1.00 1.28 C ATOM 283 SG CYS A 20 -2.043 1.360 12.925 1.00 1.70 S ATOM 0 H CYS A 20 -2.859 4.151 11.298 1.00 0.88 H new ATOM 0 HA CYS A 20 -0.404 2.708 11.187 1.00 0.98 H new ATOM 0 HB2 CYS A 20 -3.344 2.047 11.028 1.00 1.28 H new ATOM 0 HB3 CYS A 20 -2.167 0.825 10.588 1.00 1.28 H new ATOM 0 HG CYS A 20 -2.611 0.229 13.222 1.00 1.70 H new ATOM 289 N ALA A 21 -2.274 2.770 8.416 1.00 0.84 N ATOM 290 CA ALA A 21 -2.236 2.691 6.959 1.00 0.85 C ATOM 291 C ALA A 21 -1.288 3.729 6.373 1.00 0.63 C ATOM 292 O ALA A 21 -0.597 3.468 5.397 1.00 0.73 O ATOM 293 CB ALA A 21 -3.636 2.847 6.398 1.00 1.01 C ATOM 0 H ALA A 21 -3.212 2.890 8.799 1.00 0.84 H new ATOM 0 HA ALA A 21 -1.854 1.711 6.674 1.00 0.85 H new ATOM 0 HB1 ALA A 21 -3.601 2.787 5.310 1.00 1.01 H new ATOM 0 HB2 ALA A 21 -4.274 2.052 6.785 1.00 1.01 H new ATOM 0 HB3 ALA A 21 -4.041 3.814 6.695 1.00 1.01 H new ATOM 299 N ALA A 22 -1.231 4.908 6.986 1.00 0.42 N ATOM 300 CA ALA A 22 -0.292 5.934 6.583 1.00 0.32 C ATOM 301 C ALA A 22 1.154 5.429 6.682 1.00 0.32 C ATOM 302 O ALA A 22 1.880 5.484 5.693 1.00 0.34 O ATOM 303 CB ALA A 22 -0.531 7.172 7.445 1.00 0.27 C ATOM 0 H ALA A 22 -1.831 5.171 7.768 1.00 0.42 H new ATOM 0 HA ALA A 22 -0.450 6.196 5.537 1.00 0.32 H new ATOM 0 HB1 ALA A 22 0.168 7.957 7.156 1.00 0.27 H new ATOM 0 HB2 ALA A 22 -1.552 7.524 7.301 1.00 0.27 H new ATOM 0 HB3 ALA A 22 -0.379 6.919 8.494 1.00 0.27 H new ATOM 309 N ARG A 23 1.580 4.941 7.855 1.00 0.32 N ATOM 310 CA ARG A 23 2.909 4.351 8.027 1.00 0.34 C ATOM 311 C ARG A 23 3.130 3.206 7.036 1.00 0.33 C ATOM 312 O ARG A 23 4.129 3.194 6.316 1.00 0.37 O ATOM 313 CB ARG A 23 3.077 3.842 9.466 1.00 0.42 C ATOM 314 CG ARG A 23 3.161 4.956 10.520 1.00 0.57 C ATOM 315 CD ARG A 23 4.552 5.597 10.599 1.00 1.00 C ATOM 316 NE ARG A 23 4.688 6.374 11.843 1.00 1.82 N ATOM 317 CZ ARG A 23 5.849 6.797 12.372 1.00 2.53 C ATOM 318 NH1 ARG A 23 6.984 6.665 11.676 1.00 2.84 N ATOM 319 NH2 ARG A 23 5.870 7.342 13.593 1.00 3.63 N ATOM 0 H ARG A 23 1.015 4.945 8.704 1.00 0.32 H new ATOM 0 HA ARG A 23 3.654 5.122 7.831 1.00 0.34 H new ATOM 0 HB2 ARG A 23 2.239 3.189 9.709 1.00 0.42 H new ATOM 0 HB3 ARG A 23 3.981 3.235 9.522 1.00 0.42 H new ATOM 0 HG2 ARG A 23 2.424 5.725 10.288 1.00 0.57 H new ATOM 0 HG3 ARG A 23 2.899 4.547 11.496 1.00 0.57 H new ATOM 0 HD2 ARG A 23 5.319 4.823 10.560 1.00 1.00 H new ATOM 0 HD3 ARG A 23 4.710 6.246 9.738 1.00 1.00 H new ATOM 0 HE ARG A 23 3.831 6.610 12.344 1.00 1.82 H new ATOM 0 HH11 ARG A 23 6.967 6.244 10.747 1.00 2.84 H new ATOM 0 HH12 ARG A 23 7.867 6.985 12.074 1.00 2.84 H new ATOM 0 HH21 ARG A 23 5.004 7.437 14.124 1.00 3.63 H new ATOM 0 HH22 ARG A 23 6.752 7.663 13.993 1.00 3.63 H new ATOM 333 N ILE A 24 2.192 2.254 7.013 1.00 0.33 N ATOM 334 CA ILE A 24 2.195 1.103 6.121 1.00 0.35 C ATOM 335 C ILE A 24 2.541 1.568 4.703 1.00 0.31 C ATOM 336 O ILE A 24 3.556 1.166 4.130 1.00 0.33 O ATOM 337 CB ILE A 24 0.814 0.413 6.204 1.00 0.37 C ATOM 338 CG1 ILE A 24 0.644 -0.304 7.557 1.00 0.51 C ATOM 339 CG2 ILE A 24 0.552 -0.597 5.081 1.00 0.57 C ATOM 340 CD1 ILE A 24 -0.803 -0.718 7.861 1.00 0.60 C ATOM 0 H ILE A 24 1.386 2.269 7.637 1.00 0.33 H new ATOM 0 HA ILE A 24 2.950 0.373 6.413 1.00 0.35 H new ATOM 0 HB ILE A 24 0.087 1.218 6.095 1.00 0.37 H new ATOM 0 HG12 ILE A 24 1.276 -1.192 7.569 1.00 0.51 H new ATOM 0 HG13 ILE A 24 0.999 0.351 8.352 1.00 0.51 H new ATOM 0 HG21 ILE A 24 -0.437 -1.037 5.211 1.00 0.57 H new ATOM 0 HG22 ILE A 24 0.600 -0.090 4.117 1.00 0.57 H new ATOM 0 HG23 ILE A 24 1.306 -1.383 5.115 1.00 0.57 H new ATOM 0 HD11 ILE A 24 -0.843 -1.217 8.829 1.00 0.60 H new ATOM 0 HD12 ILE A 24 -1.438 0.168 7.882 1.00 0.60 H new ATOM 0 HD13 ILE A 24 -1.157 -1.399 7.087 1.00 0.60 H new ATOM 352 N GLU A 25 1.710 2.449 4.148 1.00 0.28 N ATOM 353 CA GLU A 25 1.836 2.833 2.757 1.00 0.24 C ATOM 354 C GLU A 25 3.069 3.707 2.536 1.00 0.24 C ATOM 355 O GLU A 25 3.734 3.609 1.508 1.00 0.29 O ATOM 356 CB GLU A 25 0.568 3.551 2.282 1.00 0.25 C ATOM 357 CG GLU A 25 0.183 3.052 0.878 1.00 0.30 C ATOM 358 CD GLU A 25 -0.355 1.621 0.861 1.00 1.12 C ATOM 359 OE1 GLU A 25 -0.419 1.009 1.949 1.00 2.34 O ATOM 360 OE2 GLU A 25 -0.692 1.165 -0.251 1.00 2.23 O ATOM 0 H GLU A 25 0.946 2.906 4.646 1.00 0.28 H new ATOM 0 HA GLU A 25 1.961 1.926 2.166 1.00 0.24 H new ATOM 0 HB2 GLU A 25 -0.249 3.367 2.980 1.00 0.25 H new ATOM 0 HB3 GLU A 25 0.734 4.628 2.263 1.00 0.25 H new ATOM 0 HG2 GLU A 25 -0.570 3.719 0.459 1.00 0.30 H new ATOM 0 HG3 GLU A 25 1.057 3.110 0.229 1.00 0.30 H new ATOM 367 N LYS A 26 3.400 4.580 3.492 1.00 0.24 N ATOM 368 CA LYS A 26 4.628 5.348 3.438 1.00 0.26 C ATOM 369 C LYS A 26 5.837 4.416 3.318 1.00 0.25 C ATOM 370 O LYS A 26 6.788 4.726 2.602 1.00 0.29 O ATOM 371 CB LYS A 26 4.715 6.254 4.667 1.00 0.34 C ATOM 372 CG LYS A 26 3.915 7.551 4.471 1.00 0.40 C ATOM 373 CD LYS A 26 4.779 8.560 3.690 1.00 0.54 C ATOM 374 CE LYS A 26 4.084 9.905 3.440 1.00 0.65 C ATOM 375 NZ LYS A 26 3.807 10.646 4.689 1.00 1.28 N ATOM 0 H LYS A 26 2.825 4.767 4.313 1.00 0.24 H new ATOM 0 HA LYS A 26 4.629 5.983 2.552 1.00 0.26 H new ATOM 0 HB2 LYS A 26 4.338 5.721 5.540 1.00 0.34 H new ATOM 0 HB3 LYS A 26 5.759 6.496 4.868 1.00 0.34 H new ATOM 0 HG2 LYS A 26 2.992 7.346 3.928 1.00 0.40 H new ATOM 0 HG3 LYS A 26 3.630 7.968 5.437 1.00 0.40 H new ATOM 0 HD2 LYS A 26 5.703 8.736 4.240 1.00 0.54 H new ATOM 0 HD3 LYS A 26 5.057 8.121 2.732 1.00 0.54 H new ATOM 0 HE2 LYS A 26 4.710 10.517 2.791 1.00 0.65 H new ATOM 0 HE3 LYS A 26 3.147 9.732 2.910 1.00 0.65 H new ATOM 0 HZ1 LYS A 26 3.337 11.546 4.462 1.00 1.28 H new ATOM 0 HZ2 LYS A 26 3.187 10.077 5.300 1.00 1.28 H new ATOM 0 HZ3 LYS A 26 4.701 10.837 5.185 1.00 1.28 H new ATOM 389 N GLY A 27 5.783 3.255 3.970 1.00 0.23 N ATOM 390 CA GLY A 27 6.719 2.176 3.710 1.00 0.26 C ATOM 391 C GLY A 27 6.796 1.848 2.214 1.00 0.26 C ATOM 392 O GLY A 27 7.885 1.797 1.644 1.00 0.33 O ATOM 0 H GLY A 27 5.091 3.042 4.688 1.00 0.23 H new ATOM 0 HA2 GLY A 27 7.708 2.455 4.074 1.00 0.26 H new ATOM 0 HA3 GLY A 27 6.415 1.288 4.263 1.00 0.26 H new ATOM 396 N LEU A 28 5.658 1.660 1.544 1.00 0.24 N ATOM 397 CA LEU A 28 5.654 1.413 0.106 1.00 0.25 C ATOM 398 C LEU A 28 6.145 2.609 -0.694 1.00 0.24 C ATOM 399 O LEU A 28 6.752 2.410 -1.738 1.00 0.25 O ATOM 400 CB LEU A 28 4.278 1.011 -0.397 1.00 0.30 C ATOM 401 CG LEU A 28 3.813 -0.295 0.240 1.00 0.33 C ATOM 402 CD1 LEU A 28 2.376 -0.493 -0.233 1.00 0.40 C ATOM 403 CD2 LEU A 28 4.747 -1.478 -0.084 1.00 0.32 C ATOM 0 H LEU A 28 4.733 1.674 1.974 1.00 0.24 H new ATOM 0 HA LEU A 28 6.348 0.586 -0.047 1.00 0.25 H new ATOM 0 HB2 LEU A 28 3.562 1.802 -0.174 1.00 0.30 H new ATOM 0 HB3 LEU A 28 4.303 0.900 -1.481 1.00 0.30 H new ATOM 0 HG LEU A 28 3.849 -0.247 1.328 1.00 0.33 H new ATOM 0 HD11 LEU A 28 1.978 -1.416 0.188 1.00 0.40 H new ATOM 0 HD12 LEU A 28 1.766 0.348 0.095 1.00 0.40 H new ATOM 0 HD13 LEU A 28 2.356 -0.553 -1.321 1.00 0.40 H new ATOM 0 HD21 LEU A 28 4.369 -2.382 0.394 1.00 0.32 H new ATOM 0 HD22 LEU A 28 4.784 -1.627 -1.163 1.00 0.32 H new ATOM 0 HD23 LEU A 28 5.749 -1.263 0.288 1.00 0.32 H new ATOM 415 N LYS A 29 5.935 3.840 -0.221 1.00 0.26 N ATOM 416 CA LYS A 29 6.554 5.007 -0.842 1.00 0.34 C ATOM 417 C LYS A 29 8.094 4.892 -0.872 1.00 0.38 C ATOM 418 O LYS A 29 8.742 5.595 -1.644 1.00 0.47 O ATOM 419 CB LYS A 29 5.988 6.329 -0.289 1.00 0.43 C ATOM 420 CG LYS A 29 6.792 7.544 -0.778 1.00 0.62 C ATOM 421 CD LYS A 29 6.024 8.870 -0.708 1.00 0.86 C ATOM 422 CE LYS A 29 4.916 8.912 -1.773 1.00 1.20 C ATOM 423 NZ LYS A 29 4.727 10.268 -2.336 1.00 1.53 N ATOM 0 H LYS A 29 5.345 4.051 0.584 1.00 0.26 H new ATOM 0 HA LYS A 29 6.271 5.029 -1.894 1.00 0.34 H new ATOM 0 HB2 LYS A 29 4.947 6.435 -0.595 1.00 0.43 H new ATOM 0 HB3 LYS A 29 5.998 6.301 0.801 1.00 0.43 H new ATOM 0 HG2 LYS A 29 7.700 7.630 -0.181 1.00 0.62 H new ATOM 0 HG3 LYS A 29 7.103 7.370 -1.808 1.00 0.62 H new ATOM 0 HD2 LYS A 29 5.587 8.991 0.283 1.00 0.86 H new ATOM 0 HD3 LYS A 29 6.711 9.703 -0.858 1.00 0.86 H new ATOM 0 HE2 LYS A 29 5.162 8.219 -2.577 1.00 1.20 H new ATOM 0 HE3 LYS A 29 3.979 8.570 -1.333 1.00 1.20 H new ATOM 0 HZ1 LYS A 29 3.774 10.344 -2.746 1.00 1.53 H new ATOM 0 HZ2 LYS A 29 4.837 10.975 -1.582 1.00 1.53 H new ATOM 0 HZ3 LYS A 29 5.437 10.438 -3.077 1.00 1.53 H new ATOM 437 N ARG A 30 8.700 4.012 -0.067 1.00 0.35 N ATOM 438 CA ARG A 30 10.127 3.711 -0.157 1.00 0.41 C ATOM 439 C ARG A 30 10.472 2.580 -1.145 1.00 0.44 C ATOM 440 O ARG A 30 11.656 2.306 -1.332 1.00 0.65 O ATOM 441 CB ARG A 30 10.672 3.443 1.256 1.00 0.46 C ATOM 442 CG ARG A 30 11.288 4.722 1.832 1.00 0.65 C ATOM 443 CD ARG A 30 11.631 4.531 3.312 1.00 1.77 C ATOM 444 NE ARG A 30 12.437 5.654 3.812 1.00 2.35 N ATOM 445 CZ ARG A 30 12.844 5.799 5.084 1.00 3.24 C ATOM 446 NH1 ARG A 30 12.447 4.920 6.011 1.00 3.94 N ATOM 447 NH2 ARG A 30 13.647 6.817 5.418 1.00 3.91 N ATOM 0 H ARG A 30 8.213 3.491 0.663 1.00 0.35 H new ATOM 0 HA ARG A 30 10.623 4.585 -0.579 1.00 0.41 H new ATOM 0 HB2 ARG A 30 9.869 3.093 1.904 1.00 0.46 H new ATOM 0 HB3 ARG A 30 11.421 2.652 1.222 1.00 0.46 H new ATOM 0 HG2 ARG A 30 12.188 4.983 1.275 1.00 0.65 H new ATOM 0 HG3 ARG A 30 10.591 5.552 1.718 1.00 0.65 H new ATOM 0 HD2 ARG A 30 10.713 4.449 3.895 1.00 1.77 H new ATOM 0 HD3 ARG A 30 12.178 3.598 3.445 1.00 1.77 H new ATOM 0 HE ARG A 30 12.707 6.376 3.144 1.00 2.35 H new ATOM 0 HH11 ARG A 30 11.838 4.144 5.751 1.00 3.94 H new ATOM 0 HH12 ARG A 30 12.753 5.026 6.978 1.00 3.94 H new ATOM 0 HH21 ARG A 30 13.950 7.482 4.707 1.00 3.91 H new ATOM 0 HH22 ARG A 30 13.956 6.927 6.384 1.00 3.91 H new ATOM 461 N MET A 31 9.499 1.912 -1.779 1.00 0.30 N ATOM 462 CA MET A 31 9.777 0.826 -2.723 1.00 0.29 C ATOM 463 C MET A 31 10.075 1.370 -4.135 1.00 0.27 C ATOM 464 O MET A 31 9.376 2.265 -4.612 1.00 0.26 O ATOM 465 CB MET A 31 8.612 -0.176 -2.733 1.00 0.29 C ATOM 466 CG MET A 31 8.550 -0.954 -1.408 1.00 0.39 C ATOM 467 SD MET A 31 9.934 -2.081 -1.083 1.00 1.31 S ATOM 468 CE MET A 31 9.568 -3.401 -2.260 1.00 2.10 C ATOM 0 H MET A 31 8.506 2.108 -1.652 1.00 0.30 H new ATOM 0 HA MET A 31 10.673 0.301 -2.393 1.00 0.29 H new ATOM 0 HB2 MET A 31 7.673 0.353 -2.894 1.00 0.29 H new ATOM 0 HB3 MET A 31 8.732 -0.872 -3.563 1.00 0.29 H new ATOM 0 HG2 MET A 31 8.492 -0.236 -0.590 1.00 0.39 H new ATOM 0 HG3 MET A 31 7.626 -1.531 -1.391 1.00 0.39 H new ATOM 0 HE1 MET A 31 10.208 -4.259 -2.055 1.00 2.10 H new ATOM 0 HE2 MET A 31 8.523 -3.696 -2.163 1.00 2.10 H new ATOM 0 HE3 MET A 31 9.752 -3.046 -3.274 1.00 2.10 H new ATOM 478 N PRO A 32 11.109 0.849 -4.819 1.00 0.29 N ATOM 479 CA PRO A 32 11.597 1.386 -6.085 1.00 0.27 C ATOM 480 C PRO A 32 10.574 1.180 -7.202 1.00 0.24 C ATOM 481 O PRO A 32 10.498 0.084 -7.743 1.00 0.39 O ATOM 482 CB PRO A 32 12.890 0.611 -6.378 1.00 0.36 C ATOM 483 CG PRO A 32 12.677 -0.725 -5.663 1.00 0.38 C ATOM 484 CD PRO A 32 11.896 -0.308 -4.419 1.00 0.35 C ATOM 0 HA PRO A 32 11.769 2.461 -6.027 1.00 0.27 H new ATOM 0 HB2 PRO A 32 13.041 0.473 -7.449 1.00 0.36 H new ATOM 0 HB3 PRO A 32 13.767 1.135 -5.997 1.00 0.36 H new ATOM 0 HG2 PRO A 32 12.117 -1.430 -6.277 1.00 0.38 H new ATOM 0 HG3 PRO A 32 13.622 -1.205 -5.408 1.00 0.38 H new ATOM 0 HD2 PRO A 32 11.254 -1.117 -4.070 1.00 0.35 H new ATOM 0 HD3 PRO A 32 12.569 -0.059 -3.599 1.00 0.35 H new ATOM 492 N GLY A 33 9.788 2.206 -7.541 1.00 0.17 N ATOM 493 CA GLY A 33 8.816 2.161 -8.627 1.00 0.16 C ATOM 494 C GLY A 33 7.505 2.820 -8.208 1.00 0.19 C ATOM 495 O GLY A 33 6.643 3.084 -9.044 1.00 0.22 O ATOM 0 H GLY A 33 9.813 3.104 -7.058 1.00 0.17 H new ATOM 0 HA2 GLY A 33 9.219 2.668 -9.503 1.00 0.16 H new ATOM 0 HA3 GLY A 33 8.632 1.126 -8.914 1.00 0.16 H new ATOM 499 N VAL A 34 7.336 3.079 -6.910 1.00 0.20 N ATOM 500 CA VAL A 34 6.231 3.859 -6.386 1.00 0.19 C ATOM 501 C VAL A 34 6.344 5.329 -6.802 1.00 0.20 C ATOM 502 O VAL A 34 7.443 5.838 -7.017 1.00 0.24 O ATOM 503 CB VAL A 34 6.227 3.696 -4.864 1.00 0.23 C ATOM 504 CG1 VAL A 34 7.392 4.486 -4.251 1.00 0.31 C ATOM 505 CG2 VAL A 34 4.879 4.098 -4.251 1.00 0.31 C ATOM 0 H VAL A 34 7.976 2.745 -6.189 1.00 0.20 H new ATOM 0 HA VAL A 34 5.286 3.501 -6.796 1.00 0.19 H new ATOM 0 HB VAL A 34 6.367 2.641 -4.630 1.00 0.23 H new ATOM 0 HG11 VAL A 34 7.383 4.366 -3.168 1.00 0.31 H new ATOM 0 HG12 VAL A 34 8.335 4.112 -4.650 1.00 0.31 H new ATOM 0 HG13 VAL A 34 7.286 5.542 -4.500 1.00 0.31 H new ATOM 0 HG21 VAL A 34 4.918 3.968 -3.170 1.00 0.31 H new ATOM 0 HG22 VAL A 34 4.671 5.142 -4.483 1.00 0.31 H new ATOM 0 HG23 VAL A 34 4.090 3.470 -4.664 1.00 0.31 H new ATOM 515 N THR A 35 5.204 6.017 -6.874 1.00 0.22 N ATOM 516 CA THR A 35 5.122 7.470 -6.987 1.00 0.26 C ATOM 517 C THR A 35 4.464 8.031 -5.728 1.00 0.25 C ATOM 518 O THR A 35 5.079 8.813 -5.001 1.00 0.32 O ATOM 519 CB THR A 35 4.369 7.886 -8.268 1.00 0.32 C ATOM 520 OG1 THR A 35 4.013 6.743 -9.014 1.00 0.35 O ATOM 521 CG2 THR A 35 5.239 8.762 -9.172 1.00 0.37 C ATOM 0 H THR A 35 4.290 5.566 -6.855 1.00 0.22 H new ATOM 0 HA THR A 35 6.126 7.887 -7.070 1.00 0.26 H new ATOM 0 HB THR A 35 3.487 8.442 -7.951 1.00 0.32 H new ATOM 0 HG1 THR A 35 3.922 6.985 -9.959 1.00 0.35 H new ATOM 0 HG21 THR A 35 4.676 9.036 -10.064 1.00 0.37 H new ATOM 0 HG22 THR A 35 5.529 9.665 -8.634 1.00 0.37 H new ATOM 0 HG23 THR A 35 6.133 8.210 -9.462 1.00 0.37 H new ATOM 529 N ASP A 36 3.219 7.620 -5.452 1.00 0.22 N ATOM 530 CA ASP A 36 2.408 8.250 -4.418 1.00 0.21 C ATOM 531 C ASP A 36 1.479 7.262 -3.737 1.00 0.23 C ATOM 532 O ASP A 36 0.949 6.364 -4.379 1.00 0.41 O ATOM 533 CB ASP A 36 1.633 9.445 -4.988 1.00 0.30 C ATOM 534 CG ASP A 36 2.512 10.679 -5.040 1.00 1.71 C ATOM 535 OD1 ASP A 36 2.897 11.120 -3.931 1.00 2.23 O ATOM 536 OD2 ASP A 36 2.837 11.117 -6.161 1.00 3.23 O ATOM 0 H ASP A 36 2.756 6.851 -5.936 1.00 0.22 H new ATOM 0 HA ASP A 36 3.088 8.619 -3.651 1.00 0.21 H new ATOM 0 HB2 ASP A 36 1.273 9.207 -5.989 1.00 0.30 H new ATOM 0 HB3 ASP A 36 0.756 9.643 -4.372 1.00 0.30 H new ATOM 541 N ALA A 37 1.302 7.446 -2.427 1.00 0.21 N ATOM 542 CA ALA A 37 0.454 6.651 -1.557 1.00 0.25 C ATOM 543 C ALA A 37 -0.626 7.561 -0.980 1.00 0.35 C ATOM 544 O ALA A 37 -0.313 8.678 -0.569 1.00 0.60 O ATOM 545 CB ALA A 37 1.321 6.081 -0.437 1.00 0.42 C ATOM 0 H ALA A 37 1.775 8.196 -1.924 1.00 0.21 H new ATOM 0 HA ALA A 37 -0.017 5.833 -2.101 1.00 0.25 H new ATOM 0 HB1 ALA A 37 0.704 5.479 0.230 1.00 0.42 H new ATOM 0 HB2 ALA A 37 2.106 5.458 -0.866 1.00 0.42 H new ATOM 0 HB3 ALA A 37 1.773 6.898 0.125 1.00 0.42 H new ATOM 551 N ASN A 38 -1.880 7.099 -0.948 1.00 0.25 N ATOM 552 CA ASN A 38 -3.024 7.855 -0.460 1.00 0.30 C ATOM 553 C ASN A 38 -3.898 6.928 0.386 1.00 0.26 C ATOM 554 O ASN A 38 -4.506 5.986 -0.119 1.00 0.26 O ATOM 555 CB ASN A 38 -3.812 8.450 -1.632 1.00 0.39 C ATOM 556 CG ASN A 38 -3.143 9.699 -2.195 1.00 0.85 C ATOM 557 OD1 ASN A 38 -3.342 10.796 -1.686 1.00 1.45 O ATOM 558 ND2 ASN A 38 -2.349 9.555 -3.254 1.00 1.36 N ATOM 0 H ASN A 38 -2.128 6.164 -1.271 1.00 0.25 H new ATOM 0 HA ASN A 38 -2.686 8.687 0.157 1.00 0.30 H new ATOM 0 HB2 ASN A 38 -3.908 7.704 -2.420 1.00 0.39 H new ATOM 0 HB3 ASN A 38 -4.821 8.697 -1.302 1.00 0.39 H new ATOM 0 HD21 ASN A 38 -1.889 10.369 -3.661 1.00 1.36 H new ATOM 0 HD22 ASN A 38 -2.201 8.630 -3.658 1.00 1.36 H new ATOM 565 N VAL A 39 -3.940 7.199 1.690 1.00 0.33 N ATOM 566 CA VAL A 39 -4.678 6.416 2.670 1.00 0.40 C ATOM 567 C VAL A 39 -6.160 6.816 2.695 1.00 0.32 C ATOM 568 O VAL A 39 -6.478 7.997 2.581 1.00 0.38 O ATOM 569 CB VAL A 39 -3.987 6.575 4.038 1.00 0.66 C ATOM 570 CG1 VAL A 39 -3.836 8.031 4.510 1.00 0.90 C ATOM 571 CG2 VAL A 39 -4.757 5.810 5.109 1.00 1.03 C ATOM 0 H VAL A 39 -3.447 7.992 2.101 1.00 0.33 H new ATOM 0 HA VAL A 39 -4.667 5.360 2.400 1.00 0.40 H new ATOM 0 HB VAL A 39 -2.984 6.174 3.896 1.00 0.66 H new ATOM 0 HG11 VAL A 39 -3.340 8.049 5.480 1.00 0.90 H new ATOM 0 HG12 VAL A 39 -3.240 8.588 3.787 1.00 0.90 H new ATOM 0 HG13 VAL A 39 -4.821 8.489 4.597 1.00 0.90 H new ATOM 0 HG21 VAL A 39 -4.259 5.930 6.071 1.00 1.03 H new ATOM 0 HG22 VAL A 39 -5.773 6.200 5.175 1.00 1.03 H new ATOM 0 HG23 VAL A 39 -4.791 4.752 4.847 1.00 1.03 H new ATOM 581 N ASN A 40 -7.063 5.835 2.858 1.00 0.36 N ATOM 582 CA ASN A 40 -8.504 6.034 2.944 1.00 0.36 C ATOM 583 C ASN A 40 -9.120 5.187 4.059 1.00 0.42 C ATOM 584 O ASN A 40 -9.939 4.293 3.821 1.00 0.43 O ATOM 585 CB ASN A 40 -9.160 5.759 1.584 1.00 0.37 C ATOM 586 CG ASN A 40 -10.587 6.295 1.544 1.00 0.80 C ATOM 587 OD1 ASN A 40 -11.038 6.956 2.474 1.00 1.04 O ATOM 588 ND2 ASN A 40 -11.325 5.979 0.486 1.00 1.15 N ATOM 0 H ASN A 40 -6.793 4.854 2.935 1.00 0.36 H new ATOM 0 HA ASN A 40 -8.694 7.076 3.203 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -8.572 6.223 0.793 1.00 0.37 H new ATOM 0 HB3 ASN A 40 -9.166 4.686 1.390 1.00 0.37 H new ATOM 0 HD21 ASN A 40 -12.296 6.287 0.431 1.00 1.15 H new ATOM 0 HD22 ASN A 40 -10.921 5.428 -0.271 1.00 1.15 H new ATOM 595 N LEU A 41 -8.752 5.496 5.308 1.00 0.47 N ATOM 596 CA LEU A 41 -9.297 4.809 6.475 1.00 0.55 C ATOM 597 C LEU A 41 -10.816 4.951 6.569 1.00 0.51 C ATOM 598 O LEU A 41 -11.466 4.073 7.127 1.00 0.52 O ATOM 599 CB LEU A 41 -8.623 5.272 7.779 1.00 0.67 C ATOM 600 CG LEU A 41 -7.114 4.977 7.820 1.00 0.80 C ATOM 601 CD1 LEU A 41 -6.470 5.211 9.194 1.00 0.94 C ATOM 602 CD2 LEU A 41 -6.819 3.540 7.391 1.00 0.84 C ATOM 0 H LEU A 41 -8.074 6.224 5.533 1.00 0.47 H new ATOM 0 HA LEU A 41 -9.073 3.751 6.341 1.00 0.55 H new ATOM 0 HB2 LEU A 41 -8.780 6.344 7.901 1.00 0.67 H new ATOM 0 HB3 LEU A 41 -9.106 4.781 8.624 1.00 0.67 H new ATOM 0 HG LEU A 41 -6.675 5.687 7.120 1.00 0.80 H new ATOM 0 HD11 LEU A 41 -5.406 4.981 9.141 1.00 0.94 H new ATOM 0 HD12 LEU A 41 -6.602 6.253 9.485 1.00 0.94 H new ATOM 0 HD13 LEU A 41 -6.944 4.565 9.933 1.00 0.94 H new ATOM 0 HD21 LEU A 41 -5.744 3.362 7.430 1.00 0.84 H new ATOM 0 HD22 LEU A 41 -7.326 2.848 8.063 1.00 0.84 H new ATOM 0 HD23 LEU A 41 -7.176 3.384 6.373 1.00 0.84 H new ATOM 614 N ALA A 42 -11.396 5.992 5.962 1.00 0.51 N ATOM 615 CA ALA A 42 -12.844 6.155 5.895 1.00 0.56 C ATOM 616 C ALA A 42 -13.507 4.947 5.228 1.00 0.54 C ATOM 617 O ALA A 42 -14.694 4.706 5.426 1.00 0.65 O ATOM 618 CB ALA A 42 -13.191 7.438 5.134 1.00 0.60 C ATOM 0 H ALA A 42 -10.873 6.740 5.506 1.00 0.51 H new ATOM 0 HA ALA A 42 -13.226 6.227 6.913 1.00 0.56 H new ATOM 0 HB1 ALA A 42 -14.274 7.552 5.088 1.00 0.60 H new ATOM 0 HB2 ALA A 42 -12.757 8.295 5.649 1.00 0.60 H new ATOM 0 HB3 ALA A 42 -12.789 7.381 4.122 1.00 0.60 H new ATOM 624 N THR A 43 -12.743 4.202 4.424 1.00 0.46 N ATOM 625 CA THR A 43 -13.191 3.014 3.724 1.00 0.45 C ATOM 626 C THR A 43 -12.330 1.804 4.122 1.00 0.40 C ATOM 627 O THR A 43 -12.335 0.799 3.417 1.00 0.40 O ATOM 628 CB THR A 43 -13.127 3.344 2.221 1.00 0.50 C ATOM 629 OG1 THR A 43 -13.714 4.614 1.996 1.00 0.59 O ATOM 630 CG2 THR A 43 -13.868 2.340 1.341 1.00 0.51 C ATOM 0 H THR A 43 -11.764 4.424 4.242 1.00 0.46 H new ATOM 0 HA THR A 43 -14.212 2.737 3.987 1.00 0.45 H new ATOM 0 HB THR A 43 -12.071 3.317 1.951 1.00 0.50 H new ATOM 0 HG1 THR A 43 -13.674 4.828 1.041 1.00 0.59 H new ATOM 0 HG21 THR A 43 -13.779 2.637 0.296 1.00 0.51 H new ATOM 0 HG22 THR A 43 -13.434 1.349 1.475 1.00 0.51 H new ATOM 0 HG23 THR A 43 -14.921 2.316 1.623 1.00 0.51 H new ATOM 638 N GLU A 44 -11.568 1.893 5.223 1.00 0.40 N ATOM 639 CA GLU A 44 -10.625 0.861 5.654 1.00 0.41 C ATOM 640 C GLU A 44 -9.811 0.336 4.468 1.00 0.38 C ATOM 641 O GLU A 44 -9.668 -0.869 4.272 1.00 0.41 O ATOM 642 CB GLU A 44 -11.355 -0.267 6.394 1.00 0.48 C ATOM 643 CG GLU A 44 -12.171 0.256 7.581 1.00 0.47 C ATOM 644 CD GLU A 44 -12.661 -0.899 8.443 1.00 1.33 C ATOM 645 OE1 GLU A 44 -11.827 -1.407 9.223 1.00 2.83 O ATOM 646 OE2 GLU A 44 -13.846 -1.261 8.292 1.00 2.02 O ATOM 0 H GLU A 44 -11.594 2.700 5.846 1.00 0.40 H new ATOM 0 HA GLU A 44 -9.920 1.307 6.356 1.00 0.41 H new ATOM 0 HB2 GLU A 44 -12.017 -0.786 5.701 1.00 0.48 H new ATOM 0 HB3 GLU A 44 -10.628 -0.998 6.748 1.00 0.48 H new ATOM 0 HG2 GLU A 44 -11.560 0.931 8.180 1.00 0.47 H new ATOM 0 HG3 GLU A 44 -13.022 0.833 7.219 1.00 0.47 H new ATOM 653 N THR A 45 -9.301 1.255 3.647 1.00 0.44 N ATOM 654 CA THR A 45 -8.653 0.932 2.390 1.00 0.47 C ATOM 655 C THR A 45 -7.538 1.947 2.190 1.00 0.42 C ATOM 656 O THR A 45 -7.580 3.053 2.731 1.00 0.37 O ATOM 657 CB THR A 45 -9.719 0.981 1.272 1.00 0.49 C ATOM 658 OG1 THR A 45 -10.652 -0.065 1.447 1.00 0.64 O ATOM 659 CG2 THR A 45 -9.214 0.866 -0.169 1.00 0.54 C ATOM 0 H THR A 45 -9.330 2.255 3.845 1.00 0.44 H new ATOM 0 HA THR A 45 -8.216 -0.066 2.377 1.00 0.47 H new ATOM 0 HB THR A 45 -10.142 1.979 1.383 1.00 0.49 H new ATOM 0 HG1 THR A 45 -11.291 0.181 2.148 1.00 0.64 H new ATOM 0 HG21 THR A 45 -10.059 0.914 -0.856 1.00 0.54 H new ATOM 0 HG22 THR A 45 -8.527 1.686 -0.380 1.00 0.54 H new ATOM 0 HG23 THR A 45 -8.695 -0.084 -0.298 1.00 0.54 H new ATOM 667 N VAL A 46 -6.517 1.564 1.434 1.00 0.46 N ATOM 668 CA VAL A 46 -5.485 2.485 0.996 1.00 0.38 C ATOM 669 C VAL A 46 -5.259 2.276 -0.496 1.00 0.37 C ATOM 670 O VAL A 46 -5.525 1.184 -1.007 1.00 0.44 O ATOM 671 CB VAL A 46 -4.237 2.291 1.863 1.00 0.49 C ATOM 672 CG1 VAL A 46 -3.769 0.832 1.912 1.00 0.70 C ATOM 673 CG2 VAL A 46 -3.079 3.154 1.369 1.00 0.36 C ATOM 0 H VAL A 46 -6.384 0.606 1.109 1.00 0.46 H new ATOM 0 HA VAL A 46 -5.777 3.527 1.125 1.00 0.38 H new ATOM 0 HB VAL A 46 -4.529 2.595 2.868 1.00 0.49 H new ATOM 0 HG11 VAL A 46 -2.882 0.755 2.541 1.00 0.70 H new ATOM 0 HG12 VAL A 46 -4.562 0.209 2.326 1.00 0.70 H new ATOM 0 HG13 VAL A 46 -3.530 0.493 0.904 1.00 0.70 H new ATOM 0 HG21 VAL A 46 -2.209 2.994 2.005 1.00 0.36 H new ATOM 0 HG22 VAL A 46 -2.834 2.881 0.343 1.00 0.36 H new ATOM 0 HG23 VAL A 46 -3.367 4.205 1.406 1.00 0.36 H new ATOM 683 N ASN A 47 -4.825 3.332 -1.193 1.00 0.30 N ATOM 684 CA ASN A 47 -4.479 3.264 -2.599 1.00 0.36 C ATOM 685 C ASN A 47 -3.066 3.786 -2.794 1.00 0.23 C ATOM 686 O ASN A 47 -2.599 4.623 -2.024 1.00 0.26 O ATOM 687 CB ASN A 47 -5.531 3.983 -3.464 1.00 0.57 C ATOM 688 CG ASN A 47 -5.302 5.485 -3.600 1.00 1.21 C ATOM 689 OD1 ASN A 47 -5.937 6.281 -2.918 1.00 2.71 O ATOM 690 ND2 ASN A 47 -4.429 5.892 -4.521 1.00 0.86 N ATOM 0 H ASN A 47 -4.707 4.260 -0.786 1.00 0.30 H new ATOM 0 HA ASN A 47 -4.489 2.228 -2.937 1.00 0.36 H new ATOM 0 HB2 ASN A 47 -5.536 3.535 -4.458 1.00 0.57 H new ATOM 0 HB3 ASN A 47 -6.518 3.814 -3.033 1.00 0.57 H new ATOM 0 HD21 ASN A 47 -4.275 6.889 -4.673 1.00 0.86 H new ATOM 0 HD22 ASN A 47 -3.914 5.207 -5.074 1.00 0.86 H new ATOM 697 N VAL A 48 -2.379 3.277 -3.814 1.00 0.22 N ATOM 698 CA VAL A 48 -0.998 3.620 -4.091 1.00 0.22 C ATOM 699 C VAL A 48 -0.766 3.517 -5.593 1.00 0.20 C ATOM 700 O VAL A 48 -1.415 2.718 -6.268 1.00 0.24 O ATOM 701 CB VAL A 48 -0.042 2.772 -3.225 1.00 0.26 C ATOM 702 CG1 VAL A 48 -0.203 1.268 -3.465 1.00 0.29 C ATOM 703 CG2 VAL A 48 1.431 3.145 -3.438 1.00 0.31 C ATOM 0 H VAL A 48 -2.775 2.608 -4.475 1.00 0.22 H new ATOM 0 HA VAL A 48 -0.780 4.650 -3.809 1.00 0.22 H new ATOM 0 HB VAL A 48 -0.325 3.000 -2.197 1.00 0.26 H new ATOM 0 HG11 VAL A 48 0.494 0.722 -2.830 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -1.223 0.969 -3.226 1.00 0.29 H new ATOM 0 HG13 VAL A 48 0.006 1.042 -4.511 1.00 0.29 H new ATOM 0 HG21 VAL A 48 2.060 2.519 -2.805 1.00 0.31 H new ATOM 0 HG22 VAL A 48 1.698 2.989 -4.483 1.00 0.31 H new ATOM 0 HG23 VAL A 48 1.583 4.192 -3.177 1.00 0.31 H new ATOM 713 N ILE A 49 0.101 4.389 -6.105 1.00 0.27 N ATOM 714 CA ILE A 49 0.395 4.589 -7.509 1.00 0.22 C ATOM 715 C ILE A 49 1.846 4.172 -7.713 1.00 0.21 C ATOM 716 O ILE A 49 2.728 4.643 -6.989 1.00 0.29 O ATOM 717 CB ILE A 49 0.152 6.064 -7.879 1.00 0.26 C ATOM 718 CG1 ILE A 49 -1.302 6.497 -7.598 1.00 0.31 C ATOM 719 CG2 ILE A 49 0.462 6.319 -9.359 1.00 0.35 C ATOM 720 CD1 ILE A 49 -1.344 7.920 -7.039 1.00 0.78 C ATOM 0 H ILE A 49 0.647 5.009 -5.507 1.00 0.27 H new ATOM 0 HA ILE A 49 -0.249 3.995 -8.157 1.00 0.22 H new ATOM 0 HB ILE A 49 0.823 6.653 -7.254 1.00 0.26 H new ATOM 0 HG12 ILE A 49 -1.886 6.444 -8.517 1.00 0.31 H new ATOM 0 HG13 ILE A 49 -1.761 5.809 -6.888 1.00 0.31 H new ATOM 0 HG21 ILE A 49 0.282 7.368 -9.593 1.00 0.35 H new ATOM 0 HG22 ILE A 49 1.506 6.077 -9.559 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -0.181 5.694 -9.978 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -2.378 8.205 -6.848 1.00 0.78 H new ATOM 0 HD12 ILE A 49 -0.778 7.962 -6.108 1.00 0.78 H new ATOM 0 HD13 ILE A 49 -0.905 8.608 -7.762 1.00 0.78 H new ATOM 732 N TYR A 50 2.082 3.263 -8.662 1.00 0.19 N ATOM 733 CA TYR A 50 3.397 2.698 -8.914 1.00 0.19 C ATOM 734 C TYR A 50 3.519 2.271 -10.365 1.00 0.18 C ATOM 735 O TYR A 50 2.520 2.218 -11.089 1.00 0.19 O ATOM 736 CB TYR A 50 3.652 1.487 -8.007 1.00 0.20 C ATOM 737 CG TYR A 50 2.518 0.474 -7.979 1.00 0.23 C ATOM 738 CD1 TYR A 50 2.198 -0.294 -9.118 1.00 1.85 C ATOM 739 CD2 TYR A 50 1.792 0.279 -6.793 1.00 1.79 C ATOM 740 CE1 TYR A 50 1.197 -1.276 -9.055 1.00 1.85 C ATOM 741 CE2 TYR A 50 0.848 -0.758 -6.711 1.00 1.80 C ATOM 742 CZ TYR A 50 0.556 -1.543 -7.836 1.00 0.32 C ATOM 743 OH TYR A 50 -0.209 -2.665 -7.710 1.00 0.38 O ATOM 0 H TYR A 50 1.355 2.900 -9.279 1.00 0.19 H new ATOM 0 HA TYR A 50 4.139 3.467 -8.698 1.00 0.19 H new ATOM 0 HB2 TYR A 50 4.562 0.986 -8.337 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.833 1.840 -6.992 1.00 0.20 H new ATOM 0 HD1 TYR A 50 2.727 -0.125 -10.045 1.00 1.85 H new ATOM 0 HD2 TYR A 50 1.959 0.926 -5.944 1.00 1.79 H new ATOM 0 HE1 TYR A 50 0.921 -1.825 -9.943 1.00 1.85 H new ATOM 0 HE2 TYR A 50 0.344 -0.952 -5.776 1.00 1.80 H new ATOM 0 HH TYR A 50 -0.471 -2.779 -6.772 1.00 0.38 H new ATOM 753 N ASP A 51 4.748 1.931 -10.755 1.00 0.18 N ATOM 754 CA ASP A 51 5.089 1.556 -12.103 1.00 0.21 C ATOM 755 C ASP A 51 5.400 0.057 -12.180 1.00 0.28 C ATOM 756 O ASP A 51 6.405 -0.371 -11.604 1.00 0.34 O ATOM 757 CB ASP A 51 6.288 2.398 -12.517 1.00 0.29 C ATOM 758 CG ASP A 51 6.525 2.229 -14.007 1.00 0.38 C ATOM 759 OD1 ASP A 51 6.665 1.053 -14.408 1.00 1.12 O ATOM 760 OD2 ASP A 51 6.503 3.254 -14.718 1.00 1.48 O ATOM 0 H ASP A 51 5.544 1.912 -10.117 1.00 0.18 H new ATOM 0 HA ASP A 51 4.256 1.738 -12.782 1.00 0.21 H new ATOM 0 HB2 ASP A 51 6.110 3.447 -12.282 1.00 0.29 H new ATOM 0 HB3 ASP A 51 7.173 2.092 -11.959 1.00 0.29 H new ATOM 765 N PRO A 52 4.605 -0.745 -12.916 1.00 0.32 N ATOM 766 CA PRO A 52 4.787 -2.187 -13.042 1.00 0.42 C ATOM 767 C PRO A 52 6.044 -2.584 -13.819 1.00 0.49 C ATOM 768 O PRO A 52 6.230 -3.768 -14.091 1.00 0.62 O ATOM 769 CB PRO A 52 3.506 -2.695 -13.710 1.00 0.51 C ATOM 770 CG PRO A 52 3.091 -1.518 -14.588 1.00 0.47 C ATOM 771 CD PRO A 52 3.499 -0.305 -13.754 1.00 0.35 C ATOM 0 HA PRO A 52 4.946 -2.640 -12.064 1.00 0.42 H new ATOM 0 HB2 PRO A 52 3.686 -3.594 -14.299 1.00 0.51 H new ATOM 0 HB3 PRO A 52 2.739 -2.943 -12.977 1.00 0.51 H new ATOM 0 HG2 PRO A 52 3.600 -1.535 -15.552 1.00 0.47 H new ATOM 0 HG3 PRO A 52 2.020 -1.525 -14.793 1.00 0.47 H new ATOM 0 HD2 PRO A 52 3.801 0.524 -14.394 1.00 0.35 H new ATOM 0 HD3 PRO A 52 2.666 0.048 -13.146 1.00 0.35 H new ATOM 779 N ALA A 53 6.927 -1.638 -14.149 1.00 0.47 N ATOM 780 CA ALA A 53 8.219 -1.964 -14.742 1.00 0.57 C ATOM 781 C ALA A 53 9.127 -2.494 -13.637 1.00 0.53 C ATOM 782 O ALA A 53 9.815 -3.498 -13.806 1.00 0.73 O ATOM 783 CB ALA A 53 8.829 -0.728 -15.409 1.00 0.62 C ATOM 0 H ALA A 53 6.767 -0.640 -14.014 1.00 0.47 H new ATOM 0 HA ALA A 53 8.099 -2.723 -15.515 1.00 0.57 H new ATOM 0 HB1 ALA A 53 9.793 -0.989 -15.846 1.00 0.62 H new ATOM 0 HB2 ALA A 53 8.160 -0.370 -16.192 1.00 0.62 H new ATOM 0 HB3 ALA A 53 8.969 0.056 -14.664 1.00 0.62 H new ATOM 789 N GLU A 54 9.101 -1.795 -12.502 1.00 0.34 N ATOM 790 CA GLU A 54 9.871 -2.102 -11.310 1.00 0.34 C ATOM 791 C GLU A 54 8.997 -2.784 -10.249 1.00 0.34 C ATOM 792 O GLU A 54 9.451 -3.659 -9.517 1.00 0.47 O ATOM 793 CB GLU A 54 10.418 -0.778 -10.769 1.00 0.35 C ATOM 794 CG GLU A 54 11.496 -0.161 -11.670 1.00 0.43 C ATOM 795 CD GLU A 54 12.248 0.957 -10.952 1.00 1.70 C ATOM 796 OE1 GLU A 54 11.565 1.816 -10.356 1.00 3.02 O ATOM 797 OE2 GLU A 54 13.496 0.926 -11.004 1.00 2.30 O ATOM 0 H GLU A 54 8.517 -0.966 -12.390 1.00 0.34 H new ATOM 0 HA GLU A 54 10.680 -2.790 -11.554 1.00 0.34 H new ATOM 0 HB2 GLU A 54 9.596 -0.070 -10.658 1.00 0.35 H new ATOM 0 HB3 GLU A 54 10.834 -0.942 -9.775 1.00 0.35 H new ATOM 0 HG2 GLU A 54 12.199 -0.934 -11.980 1.00 0.43 H new ATOM 0 HG3 GLU A 54 11.034 0.232 -12.576 1.00 0.43 H new ATOM 804 N THR A 55 7.751 -2.320 -10.146 1.00 0.30 N ATOM 805 CA THR A 55 6.869 -2.400 -8.995 1.00 0.26 C ATOM 806 C THR A 55 5.385 -2.616 -9.212 1.00 0.35 C ATOM 807 O THR A 55 4.712 -1.861 -9.901 1.00 0.55 O ATOM 808 CB THR A 55 7.093 -1.178 -8.130 1.00 0.33 C ATOM 809 OG1 THR A 55 8.356 -1.339 -7.523 1.00 0.60 O ATOM 810 CG2 THR A 55 6.226 -1.150 -6.894 1.00 0.38 C ATOM 0 H THR A 55 7.304 -1.843 -10.929 1.00 0.30 H new ATOM 0 HA THR A 55 7.161 -3.337 -8.521 1.00 0.26 H new ATOM 0 HB THR A 55 6.928 -0.316 -8.777 1.00 0.33 H new ATOM 0 HG1 THR A 55 9.006 -0.749 -7.959 1.00 0.60 H new ATOM 0 HG21 THR A 55 6.439 -0.248 -6.321 1.00 0.38 H new ATOM 0 HG22 THR A 55 5.176 -1.156 -7.186 1.00 0.38 H new ATOM 0 HG23 THR A 55 6.437 -2.027 -6.282 1.00 0.38 H new ATOM 818 N GLY A 56 4.840 -3.544 -8.427 1.00 0.33 N ATOM 819 CA GLY A 56 3.443 -3.519 -8.091 1.00 0.54 C ATOM 820 C GLY A 56 3.189 -4.513 -6.971 1.00 0.38 C ATOM 821 O GLY A 56 4.069 -4.795 -6.150 1.00 0.31 O ATOM 0 H GLY A 56 5.359 -4.320 -8.017 1.00 0.33 H new ATOM 0 HA2 GLY A 56 3.148 -2.517 -7.780 1.00 0.54 H new ATOM 0 HA3 GLY A 56 2.841 -3.772 -8.964 1.00 0.54 H new ATOM 825 N THR A 57 1.975 -5.056 -6.984 1.00 0.45 N ATOM 826 CA THR A 57 1.416 -5.967 -6.002 1.00 0.45 C ATOM 827 C THR A 57 2.396 -7.079 -5.594 1.00 0.47 C ATOM 828 O THR A 57 2.442 -7.450 -4.422 1.00 0.54 O ATOM 829 CB THR A 57 0.007 -6.421 -6.453 1.00 0.48 C ATOM 830 OG1 THR A 57 -0.439 -7.553 -5.742 1.00 0.69 O ATOM 831 CG2 THR A 57 -0.153 -6.698 -7.954 1.00 0.57 C ATOM 0 H THR A 57 1.314 -4.854 -7.734 1.00 0.45 H new ATOM 0 HA THR A 57 1.265 -5.444 -5.058 1.00 0.45 H new ATOM 0 HB THR A 57 -0.610 -5.552 -6.224 1.00 0.48 H new ATOM 0 HG1 THR A 57 -1.332 -7.806 -6.056 1.00 0.69 H new ATOM 0 HG21 THR A 57 -1.177 -7.009 -8.159 1.00 0.57 H new ATOM 0 HG22 THR A 57 0.071 -5.792 -8.517 1.00 0.57 H new ATOM 0 HG23 THR A 57 0.534 -7.490 -8.253 1.00 0.57 H new ATOM 839 N ALA A 58 3.223 -7.575 -6.520 1.00 0.51 N ATOM 840 CA ALA A 58 4.257 -8.548 -6.188 1.00 0.49 C ATOM 841 C ALA A 58 5.151 -8.061 -5.039 1.00 0.39 C ATOM 842 O ALA A 58 5.340 -8.763 -4.048 1.00 0.41 O ATOM 843 CB ALA A 58 5.105 -8.849 -7.428 1.00 0.52 C ATOM 0 H ALA A 58 3.193 -7.315 -7.506 1.00 0.51 H new ATOM 0 HA ALA A 58 3.763 -9.460 -5.854 1.00 0.49 H new ATOM 0 HB1 ALA A 58 5.876 -9.577 -7.174 1.00 0.52 H new ATOM 0 HB2 ALA A 58 4.468 -9.255 -8.214 1.00 0.52 H new ATOM 0 HB3 ALA A 58 5.575 -7.930 -7.779 1.00 0.52 H new ATOM 849 N ALA A 59 5.743 -6.874 -5.195 1.00 0.32 N ATOM 850 CA ALA A 59 6.692 -6.331 -4.236 1.00 0.26 C ATOM 851 C ALA A 59 5.942 -5.851 -3.002 1.00 0.24 C ATOM 852 O ALA A 59 6.379 -5.996 -1.860 1.00 0.26 O ATOM 853 CB ALA A 59 7.478 -5.193 -4.893 1.00 0.28 C ATOM 0 H ALA A 59 5.573 -6.265 -5.995 1.00 0.32 H new ATOM 0 HA ALA A 59 7.400 -7.099 -3.925 1.00 0.26 H new ATOM 0 HB1 ALA A 59 8.191 -4.783 -4.178 1.00 0.28 H new ATOM 0 HB2 ALA A 59 8.015 -5.575 -5.761 1.00 0.28 H new ATOM 0 HB3 ALA A 59 6.789 -4.410 -5.208 1.00 0.28 H new ATOM 859 N ILE A 60 4.811 -5.206 -3.274 1.00 0.26 N ATOM 860 CA ILE A 60 4.062 -4.480 -2.284 1.00 0.25 C ATOM 861 C ILE A 60 3.549 -5.403 -1.183 1.00 0.28 C ATOM 862 O ILE A 60 3.831 -5.142 -0.018 1.00 0.33 O ATOM 863 CB ILE A 60 3.029 -3.612 -3.022 1.00 0.29 C ATOM 864 CG1 ILE A 60 3.703 -2.253 -3.247 1.00 0.34 C ATOM 865 CG2 ILE A 60 1.703 -3.467 -2.277 1.00 0.34 C ATOM 866 CD1 ILE A 60 3.102 -1.451 -4.395 1.00 0.60 C ATOM 0 H ILE A 60 4.393 -5.180 -4.204 1.00 0.26 H new ATOM 0 HA ILE A 60 4.682 -3.786 -1.716 1.00 0.25 H new ATOM 0 HB ILE A 60 2.750 -4.089 -3.962 1.00 0.29 H new ATOM 0 HG12 ILE A 60 3.633 -1.667 -2.331 1.00 0.34 H new ATOM 0 HG13 ILE A 60 4.763 -2.412 -3.443 1.00 0.34 H new ATOM 0 HG21 ILE A 60 1.025 -2.842 -2.859 1.00 0.34 H new ATOM 0 HG22 ILE A 60 1.256 -4.451 -2.134 1.00 0.34 H new ATOM 0 HG23 ILE A 60 1.880 -3.005 -1.306 1.00 0.34 H new ATOM 0 HD11 ILE A 60 3.631 -0.503 -4.492 1.00 0.60 H new ATOM 0 HD12 ILE A 60 3.196 -2.016 -5.322 1.00 0.60 H new ATOM 0 HD13 ILE A 60 2.048 -1.260 -4.193 1.00 0.60 H new ATOM 878 N GLN A 61 2.855 -6.496 -1.512 1.00 0.31 N ATOM 879 CA GLN A 61 2.367 -7.409 -0.478 1.00 0.36 C ATOM 880 C GLN A 61 3.532 -7.898 0.400 1.00 0.35 C ATOM 881 O GLN A 61 3.447 -7.859 1.626 1.00 0.36 O ATOM 882 CB GLN A 61 1.633 -8.588 -1.117 1.00 0.53 C ATOM 883 CG GLN A 61 0.123 -8.399 -1.320 1.00 0.76 C ATOM 884 CD GLN A 61 -0.289 -7.057 -1.915 1.00 1.21 C ATOM 885 OE1 GLN A 61 -1.092 -6.327 -1.357 1.00 3.03 O ATOM 886 NE2 GLN A 61 0.223 -6.707 -3.078 1.00 0.93 N ATOM 0 H GLN A 61 2.622 -6.766 -2.468 1.00 0.31 H new ATOM 0 HA GLN A 61 1.664 -6.873 0.160 1.00 0.36 H new ATOM 0 HB2 GLN A 61 2.088 -8.794 -2.086 1.00 0.53 H new ATOM 0 HB3 GLN A 61 1.790 -9.470 -0.496 1.00 0.53 H new ATOM 0 HG2 GLN A 61 -0.242 -9.194 -1.970 1.00 0.76 H new ATOM 0 HG3 GLN A 61 -0.375 -8.520 -0.358 1.00 0.76 H new ATOM 0 HE21 GLN A 61 0.894 -7.317 -3.544 1.00 0.93 H new ATOM 0 HE22 GLN A 61 -0.052 -5.826 -3.512 1.00 0.93 H new ATOM 895 N GLU A 62 4.627 -8.319 -0.244 1.00 0.35 N ATOM 896 CA GLU A 62 5.885 -8.658 0.415 1.00 0.35 C ATOM 897 C GLU A 62 6.266 -7.665 1.505 1.00 0.34 C ATOM 898 O GLU A 62 6.396 -8.019 2.677 1.00 0.44 O ATOM 899 CB GLU A 62 7.008 -8.780 -0.636 1.00 0.35 C ATOM 900 CG GLU A 62 7.922 -9.989 -0.421 1.00 0.40 C ATOM 901 CD GLU A 62 8.856 -9.795 0.782 1.00 1.10 C ATOM 902 OE1 GLU A 62 9.307 -8.643 0.986 1.00 2.23 O ATOM 903 OE2 GLU A 62 9.122 -10.798 1.478 1.00 1.82 O ATOM 0 H GLU A 62 4.660 -8.434 -1.257 1.00 0.35 H new ATOM 0 HA GLU A 62 5.746 -9.618 0.912 1.00 0.35 H new ATOM 0 HB2 GLU A 62 6.560 -8.846 -1.628 1.00 0.35 H new ATOM 0 HB3 GLU A 62 7.611 -7.872 -0.618 1.00 0.35 H new ATOM 0 HG2 GLU A 62 7.314 -10.881 -0.268 1.00 0.40 H new ATOM 0 HG3 GLU A 62 8.517 -10.158 -1.319 1.00 0.40 H new ATOM 910 N LYS A 63 6.438 -6.400 1.128 1.00 0.27 N ATOM 911 CA LYS A 63 6.849 -5.421 2.109 1.00 0.26 C ATOM 912 C LYS A 63 5.740 -5.178 3.126 1.00 0.24 C ATOM 913 O LYS A 63 6.033 -5.023 4.310 1.00 0.25 O ATOM 914 CB LYS A 63 7.369 -4.150 1.424 1.00 0.24 C ATOM 915 CG LYS A 63 8.788 -3.837 1.912 1.00 0.28 C ATOM 916 CD LYS A 63 9.794 -4.891 1.400 1.00 0.47 C ATOM 917 CE LYS A 63 11.133 -4.837 2.148 1.00 1.10 C ATOM 918 NZ LYS A 63 12.004 -3.750 1.661 1.00 2.59 N ATOM 0 H LYS A 63 6.303 -6.045 0.181 1.00 0.27 H new ATOM 0 HA LYS A 63 7.691 -5.809 2.682 1.00 0.26 H new ATOM 0 HB2 LYS A 63 7.368 -4.283 0.342 1.00 0.24 H new ATOM 0 HB3 LYS A 63 6.707 -3.312 1.642 1.00 0.24 H new ATOM 0 HG2 LYS A 63 9.085 -2.847 1.566 1.00 0.28 H new ATOM 0 HG3 LYS A 63 8.805 -3.812 3.002 1.00 0.28 H new ATOM 0 HD2 LYS A 63 9.361 -5.885 1.509 1.00 0.47 H new ATOM 0 HD3 LYS A 63 9.969 -4.734 0.336 1.00 0.47 H new ATOM 0 HE2 LYS A 63 10.946 -4.700 3.213 1.00 1.10 H new ATOM 0 HE3 LYS A 63 11.648 -5.791 2.035 1.00 1.10 H new ATOM 0 HZ1 LYS A 63 12.893 -4.152 1.300 1.00 2.59 H new ATOM 0 HZ2 LYS A 63 11.522 -3.235 0.897 1.00 2.59 H new ATOM 0 HZ3 LYS A 63 12.212 -3.096 2.442 1.00 2.59 H new ATOM 932 N ILE A 64 4.480 -5.173 2.693 1.00 0.24 N ATOM 933 CA ILE A 64 3.355 -4.927 3.570 1.00 0.23 C ATOM 934 C ILE A 64 3.360 -5.927 4.737 1.00 0.23 C ATOM 935 O ILE A 64 3.190 -5.520 5.888 1.00 0.25 O ATOM 936 CB ILE A 64 2.040 -4.954 2.778 1.00 0.25 C ATOM 937 CG1 ILE A 64 1.900 -3.725 1.865 1.00 0.31 C ATOM 938 CG2 ILE A 64 0.873 -5.000 3.760 1.00 0.27 C ATOM 939 CD1 ILE A 64 1.388 -2.502 2.619 1.00 0.37 C ATOM 0 H ILE A 64 4.219 -5.341 1.721 1.00 0.24 H new ATOM 0 HA ILE A 64 3.445 -3.930 4.001 1.00 0.23 H new ATOM 0 HB ILE A 64 2.039 -5.839 2.142 1.00 0.25 H new ATOM 0 HG12 ILE A 64 2.867 -3.495 1.417 1.00 0.31 H new ATOM 0 HG13 ILE A 64 1.218 -3.958 1.048 1.00 0.31 H new ATOM 0 HG21 ILE A 64 -0.067 -5.019 3.208 1.00 0.27 H new ATOM 0 HG22 ILE A 64 0.951 -5.896 4.376 1.00 0.27 H new ATOM 0 HG23 ILE A 64 0.900 -4.117 4.399 1.00 0.27 H new ATOM 0 HD11 ILE A 64 1.306 -1.659 1.932 1.00 0.37 H new ATOM 0 HD12 ILE A 64 0.409 -2.721 3.044 1.00 0.37 H new ATOM 0 HD13 ILE A 64 2.083 -2.251 3.420 1.00 0.37 H new ATOM 951 N GLU A 65 3.608 -7.216 4.463 1.00 0.21 N ATOM 952 CA GLU A 65 3.799 -8.195 5.532 1.00 0.19 C ATOM 953 C GLU A 65 4.787 -7.658 6.574 1.00 0.24 C ATOM 954 O GLU A 65 4.515 -7.668 7.773 1.00 0.32 O ATOM 955 CB GLU A 65 4.282 -9.526 4.939 1.00 0.16 C ATOM 956 CG GLU A 65 3.119 -10.385 4.427 1.00 0.20 C ATOM 957 CD GLU A 65 2.560 -11.276 5.531 1.00 0.28 C ATOM 958 OE1 GLU A 65 3.263 -12.252 5.871 1.00 1.49 O ATOM 959 OE2 GLU A 65 1.454 -10.962 6.019 1.00 1.53 O ATOM 0 H GLU A 65 3.680 -7.598 3.520 1.00 0.21 H new ATOM 0 HA GLU A 65 2.848 -8.370 6.035 1.00 0.19 H new ATOM 0 HB2 GLU A 65 4.974 -9.328 4.120 1.00 0.16 H new ATOM 0 HB3 GLU A 65 4.836 -10.080 5.697 1.00 0.16 H new ATOM 0 HG2 GLU A 65 2.329 -9.740 4.043 1.00 0.20 H new ATOM 0 HG3 GLU A 65 3.459 -11.002 3.596 1.00 0.20 H new ATOM 966 N LYS A 66 5.936 -7.157 6.118 1.00 0.23 N ATOM 967 CA LYS A 66 7.015 -6.698 6.972 1.00 0.26 C ATOM 968 C LYS A 66 6.697 -5.390 7.688 1.00 0.28 C ATOM 969 O LYS A 66 7.163 -5.180 8.805 1.00 0.35 O ATOM 970 CB LYS A 66 8.277 -6.597 6.128 1.00 0.30 C ATOM 971 CG LYS A 66 9.539 -6.828 6.970 1.00 0.50 C ATOM 972 CD LYS A 66 10.697 -7.354 6.110 1.00 1.32 C ATOM 973 CE LYS A 66 10.423 -8.789 5.615 1.00 1.99 C ATOM 974 NZ LYS A 66 11.629 -9.456 5.086 1.00 3.36 N ATOM 0 H LYS A 66 6.140 -7.060 5.123 1.00 0.23 H new ATOM 0 HA LYS A 66 7.161 -7.421 7.774 1.00 0.26 H new ATOM 0 HB2 LYS A 66 8.237 -7.331 5.323 1.00 0.30 H new ATOM 0 HB3 LYS A 66 8.325 -5.613 5.661 1.00 0.30 H new ATOM 0 HG2 LYS A 66 9.834 -5.895 7.449 1.00 0.50 H new ATOM 0 HG3 LYS A 66 9.322 -7.540 7.766 1.00 0.50 H new ATOM 0 HD2 LYS A 66 10.846 -6.695 5.255 1.00 1.32 H new ATOM 0 HD3 LYS A 66 11.620 -7.337 6.690 1.00 1.32 H new ATOM 0 HE2 LYS A 66 10.018 -9.380 6.437 1.00 1.99 H new ATOM 0 HE3 LYS A 66 9.660 -8.760 4.837 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 11.384 -10.416 4.769 1.00 3.36 H new ATOM 0 HZ2 LYS A 66 12.003 -8.911 4.283 1.00 3.36 H new ATOM 0 HZ3 LYS A 66 12.351 -9.512 5.833 1.00 3.36 H new ATOM 988 N LEU A 67 5.897 -4.517 7.066 1.00 0.28 N ATOM 989 CA LEU A 67 5.285 -3.400 7.764 1.00 0.30 C ATOM 990 C LEU A 67 4.520 -3.890 9.003 1.00 0.28 C ATOM 991 O LEU A 67 4.364 -3.131 9.955 1.00 0.29 O ATOM 992 CB LEU A 67 4.382 -2.614 6.799 1.00 0.29 C ATOM 993 CG LEU A 67 5.092 -1.525 5.985 1.00 0.38 C ATOM 994 CD1 LEU A 67 5.684 -0.450 6.899 1.00 0.89 C ATOM 995 CD2 LEU A 67 6.154 -2.023 5.004 1.00 0.58 C ATOM 0 H LEU A 67 5.662 -4.570 6.075 1.00 0.28 H new ATOM 0 HA LEU A 67 6.063 -2.724 8.118 1.00 0.30 H new ATOM 0 HB2 LEU A 67 3.916 -3.317 6.108 1.00 0.29 H new ATOM 0 HB3 LEU A 67 3.579 -2.152 7.373 1.00 0.29 H new ATOM 0 HG LEU A 67 4.303 -1.100 5.364 1.00 0.38 H new ATOM 0 HD11 LEU A 67 6.181 0.308 6.294 1.00 0.89 H new ATOM 0 HD12 LEU A 67 4.886 0.014 7.479 1.00 0.89 H new ATOM 0 HD13 LEU A 67 6.407 -0.906 7.576 1.00 0.89 H new ATOM 0 HD21 LEU A 67 6.593 -1.173 4.481 1.00 0.58 H new ATOM 0 HD22 LEU A 67 6.933 -2.555 5.550 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.694 -2.696 4.281 1.00 0.58 H new ATOM 1007 N GLY A 68 4.089 -5.157 9.011 1.00 0.27 N ATOM 1008 CA GLY A 68 3.586 -5.845 10.188 1.00 0.28 C ATOM 1009 C GLY A 68 2.079 -6.024 10.105 1.00 0.28 C ATOM 1010 O GLY A 68 1.409 -6.047 11.135 1.00 0.37 O ATOM 0 H GLY A 68 4.084 -5.740 8.174 1.00 0.27 H new ATOM 0 HA2 GLY A 68 4.068 -6.818 10.280 1.00 0.28 H new ATOM 0 HA3 GLY A 68 3.841 -5.278 11.083 1.00 0.28 H new ATOM 1014 N TYR A 69 1.536 -6.128 8.887 1.00 0.30 N ATOM 1015 CA TYR A 69 0.102 -6.249 8.673 1.00 0.44 C ATOM 1016 C TYR A 69 -0.084 -7.097 7.430 1.00 0.39 C ATOM 1017 O TYR A 69 0.825 -7.157 6.609 1.00 0.23 O ATOM 1018 CB TYR A 69 -0.529 -4.870 8.448 1.00 0.54 C ATOM 1019 CG TYR A 69 -0.169 -3.832 9.487 1.00 0.45 C ATOM 1020 CD1 TYR A 69 1.041 -3.130 9.373 1.00 1.91 C ATOM 1021 CD2 TYR A 69 -1.043 -3.546 10.550 1.00 2.01 C ATOM 1022 CE1 TYR A 69 1.347 -2.100 10.273 1.00 2.01 C ATOM 1023 CE2 TYR A 69 -0.759 -2.482 11.424 1.00 1.90 C ATOM 1024 CZ TYR A 69 0.426 -1.741 11.269 1.00 0.43 C ATOM 1025 OH TYR A 69 0.640 -0.616 12.011 1.00 0.54 O ATOM 0 H TYR A 69 2.084 -6.130 8.027 1.00 0.30 H new ATOM 0 HA TYR A 69 -0.377 -6.698 9.543 1.00 0.44 H new ATOM 0 HB2 TYR A 69 -0.226 -4.503 7.467 1.00 0.54 H new ATOM 0 HB3 TYR A 69 -1.613 -4.981 8.426 1.00 0.54 H new ATOM 0 HD1 TYR A 69 1.739 -3.384 8.589 1.00 1.91 H new ATOM 0 HD2 TYR A 69 -1.931 -4.143 10.695 1.00 2.01 H new ATOM 0 HE1 TYR A 69 2.292 -1.582 10.200 1.00 2.01 H new ATOM 0 HE2 TYR A 69 -1.451 -2.234 12.215 1.00 1.90 H new ATOM 0 HH TYR A 69 -0.217 -0.179 12.197 1.00 0.54 H new ATOM 1035 N HIS A 70 -1.264 -7.692 7.261 1.00 0.68 N ATOM 1036 CA HIS A 70 -1.599 -8.341 6.020 1.00 0.54 C ATOM 1037 C HIS A 70 -2.530 -7.387 5.292 1.00 0.53 C ATOM 1038 O HIS A 70 -3.336 -6.682 5.906 1.00 0.65 O ATOM 1039 CB HIS A 70 -2.214 -9.730 6.248 1.00 0.58 C ATOM 1040 CG HIS A 70 -3.721 -9.780 6.178 1.00 1.33 C ATOM 1041 ND1 HIS A 70 -4.485 -9.561 5.049 1.00 2.89 N ATOM 1042 CD2 HIS A 70 -4.565 -9.780 7.254 1.00 1.65 C ATOM 1043 CE1 HIS A 70 -5.750 -9.369 5.459 1.00 3.54 C ATOM 1044 NE2 HIS A 70 -5.855 -9.512 6.788 1.00 2.69 N ATOM 0 H HIS A 70 -1.994 -7.732 7.973 1.00 0.68 H new ATOM 0 HA HIS A 70 -0.713 -8.539 5.417 1.00 0.54 H new ATOM 0 HB2 HIS A 70 -1.808 -10.417 5.505 1.00 0.58 H new ATOM 0 HB3 HIS A 70 -1.898 -10.094 7.226 1.00 0.58 H new ATOM 0 HD1 HIS A 70 -4.152 -9.548 4.085 1.00 2.89 H new ATOM 0 HD2 HIS A 70 -4.284 -9.956 8.282 1.00 1.65 H new ATOM 0 HE1 HIS A 70 -6.575 -9.131 4.804 1.00 3.54 H new ATOM 1052 N VAL A 71 -2.419 -7.419 3.975 1.00 0.62 N ATOM 1053 CA VAL A 71 -3.320 -6.771 3.036 1.00 0.62 C ATOM 1054 C VAL A 71 -4.123 -7.831 2.270 1.00 0.61 C ATOM 1055 O VAL A 71 -3.724 -8.997 2.265 1.00 0.85 O ATOM 1056 CB VAL A 71 -2.469 -5.823 2.189 1.00 0.66 C ATOM 1057 CG1 VAL A 71 -1.310 -6.536 1.496 1.00 0.90 C ATOM 1058 CG2 VAL A 71 -3.265 -4.988 1.196 1.00 0.64 C ATOM 0 H VAL A 71 -1.663 -7.921 3.509 1.00 0.62 H new ATOM 0 HA VAL A 71 -4.088 -6.163 3.515 1.00 0.62 H new ATOM 0 HB VAL A 71 -2.051 -5.121 2.910 1.00 0.66 H new ATOM 0 HG11 VAL A 71 -0.739 -5.817 0.909 1.00 0.90 H new ATOM 0 HG12 VAL A 71 -0.661 -6.989 2.246 1.00 0.90 H new ATOM 0 HG13 VAL A 71 -1.701 -7.312 0.838 1.00 0.90 H new ATOM 0 HG21 VAL A 71 -2.587 -4.344 0.636 1.00 0.64 H new ATOM 0 HG22 VAL A 71 -3.791 -5.647 0.506 1.00 0.64 H new ATOM 0 HG23 VAL A 71 -3.988 -4.374 1.734 1.00 0.64 H new ATOM 1068 N VAL A 72 -5.287 -7.467 1.718 1.00 0.44 N ATOM 1069 CA VAL A 72 -6.144 -8.359 0.929 1.00 0.50 C ATOM 1070 C VAL A 72 -6.464 -7.758 -0.436 1.00 0.65 C ATOM 1071 O VAL A 72 -6.807 -6.583 -0.545 1.00 1.06 O ATOM 1072 CB VAL A 72 -7.462 -8.705 1.646 1.00 0.69 C ATOM 1073 CG1 VAL A 72 -7.323 -10.005 2.440 1.00 0.91 C ATOM 1074 CG2 VAL A 72 -8.000 -7.562 2.511 1.00 1.04 C ATOM 0 H VAL A 72 -5.667 -6.525 1.810 1.00 0.44 H new ATOM 0 HA VAL A 72 -5.574 -9.279 0.800 1.00 0.50 H new ATOM 0 HB VAL A 72 -8.211 -8.858 0.869 1.00 0.69 H new ATOM 0 HG11 VAL A 72 -8.266 -10.230 2.938 1.00 0.91 H new ATOM 0 HG12 VAL A 72 -7.067 -10.820 1.762 1.00 0.91 H new ATOM 0 HG13 VAL A 72 -6.536 -9.893 3.186 1.00 0.91 H new ATOM 0 HG21 VAL A 72 -8.930 -7.873 2.987 1.00 1.04 H new ATOM 0 HG22 VAL A 72 -7.267 -7.309 3.277 1.00 1.04 H new ATOM 0 HG23 VAL A 72 -8.187 -6.689 1.885 1.00 1.04 H new ATOM 1084 N ILE A 73 -6.402 -8.603 -1.469 1.00 0.61 N ATOM 1085 CA ILE A 73 -6.753 -8.281 -2.840 1.00 0.73 C ATOM 1086 C ILE A 73 -8.138 -8.877 -3.106 1.00 0.91 C ATOM 1087 O ILE A 73 -8.249 -10.049 -3.458 1.00 1.27 O ATOM 1088 CB ILE A 73 -5.681 -8.859 -3.788 1.00 1.03 C ATOM 1089 CG1 ILE A 73 -4.246 -8.467 -3.384 1.00 1.20 C ATOM 1090 CG2 ILE A 73 -5.965 -8.454 -5.241 1.00 1.18 C ATOM 1091 CD1 ILE A 73 -4.013 -6.957 -3.300 1.00 1.00 C ATOM 0 H ILE A 73 -6.092 -9.569 -1.360 1.00 0.61 H new ATOM 0 HA ILE A 73 -6.788 -7.205 -3.011 1.00 0.73 H new ATOM 0 HB ILE A 73 -5.743 -9.944 -3.703 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -4.017 -8.914 -2.416 1.00 1.20 H new ATOM 0 HG13 ILE A 73 -3.548 -8.892 -4.105 1.00 1.20 H new ATOM 0 HG21 ILE A 73 -5.197 -8.872 -5.892 1.00 1.18 H new ATOM 0 HG22 ILE A 73 -6.941 -8.835 -5.541 1.00 1.18 H new ATOM 0 HG23 ILE A 73 -5.958 -7.367 -5.324 1.00 1.18 H new ATOM 0 HD11 ILE A 73 -2.980 -6.764 -3.010 1.00 1.00 H new ATOM 0 HD12 ILE A 73 -4.208 -6.504 -4.272 1.00 1.00 H new ATOM 0 HD13 ILE A 73 -4.685 -6.526 -2.558 1.00 1.00 H new ATOM 1103 N GLU A 74 -9.198 -8.088 -2.916 1.00 0.94 N ATOM 1104 CA GLU A 74 -10.540 -8.525 -3.264 1.00 1.28 C ATOM 1105 C GLU A 74 -10.648 -8.538 -4.793 1.00 1.64 C ATOM 1106 O GLU A 74 -10.346 -7.537 -5.445 1.00 2.20 O ATOM 1107 CB GLU A 74 -11.595 -7.598 -2.644 1.00 1.98 C ATOM 1108 CG GLU A 74 -12.989 -8.249 -2.703 1.00 3.03 C ATOM 1109 CD GLU A 74 -14.136 -7.263 -2.494 1.00 4.31 C ATOM 1110 OE1 GLU A 74 -13.911 -6.051 -2.713 1.00 5.05 O ATOM 1111 OE2 GLU A 74 -15.233 -7.748 -2.148 1.00 5.20 O ATOM 0 H GLU A 74 -9.147 -7.148 -2.524 1.00 0.94 H new ATOM 0 HA GLU A 74 -10.725 -9.524 -2.869 1.00 1.28 H new ATOM 0 HB2 GLU A 74 -11.333 -7.380 -1.609 1.00 1.98 H new ATOM 0 HB3 GLU A 74 -11.609 -6.647 -3.176 1.00 1.98 H new ATOM 0 HG2 GLU A 74 -13.112 -8.736 -3.670 1.00 3.03 H new ATOM 0 HG3 GLU A 74 -13.049 -9.029 -1.943 1.00 3.03 H new ATOM 1118 N GLY A 75 -11.077 -9.662 -5.368 1.00 2.55 N ATOM 1119 CA GLY A 75 -11.306 -9.791 -6.800 1.00 3.62 C ATOM 1120 C GLY A 75 -12.584 -9.059 -7.209 1.00 3.69 C ATOM 1121 O GLY A 75 -13.576 -9.698 -7.555 1.00 4.87 O ATOM 0 H GLY A 75 -11.276 -10.514 -4.844 1.00 2.55 H new ATOM 0 HA2 GLY A 75 -10.456 -9.384 -7.348 1.00 3.62 H new ATOM 0 HA3 GLY A 75 -11.383 -10.845 -7.068 1.00 3.62 H new ATOM 1125 N ARG A 76 -12.551 -7.728 -7.129 1.00 3.53 N ATOM 1126 CA ARG A 76 -13.632 -6.856 -7.565 1.00 4.94 C ATOM 1127 C ARG A 76 -13.722 -6.808 -9.094 1.00 5.44 C ATOM 1128 O ARG A 76 -12.734 -7.203 -9.752 1.00 5.31 O ATOM 1129 CB ARG A 76 -13.416 -5.440 -7.003 1.00 5.64 C ATOM 1130 CG ARG A 76 -14.575 -5.027 -6.091 1.00 7.66 C ATOM 1131 CD ARG A 76 -14.348 -3.619 -5.524 1.00 8.77 C ATOM 1132 NE ARG A 76 -14.239 -2.602 -6.587 1.00 9.08 N ATOM 1133 CZ ARG A 76 -15.271 -2.053 -7.247 1.00 10.21 C ATOM 1134 NH1 ARG A 76 -16.519 -2.446 -6.974 1.00 11.04 N ATOM 1135 NH2 ARG A 76 -15.052 -1.110 -8.171 1.00 10.84 N ATOM 1136 OXT ARG A 76 -14.767 -6.313 -9.574 1.00 6.65 O ATOM 0 H ARG A 76 -11.752 -7.219 -6.750 1.00 3.53 H new ATOM 0 HA ARG A 76 -14.571 -7.258 -7.185 1.00 4.94 H new ATOM 0 HB2 ARG A 76 -12.480 -5.405 -6.445 1.00 5.64 H new ATOM 0 HB3 ARG A 76 -13.324 -4.729 -7.824 1.00 5.64 H new ATOM 0 HG2 ARG A 76 -15.510 -5.052 -6.650 1.00 7.66 H new ATOM 0 HG3 ARG A 76 -14.673 -5.742 -5.274 1.00 7.66 H new ATOM 0 HD2 ARG A 76 -15.171 -3.360 -4.858 1.00 8.77 H new ATOM 0 HD3 ARG A 76 -13.439 -3.613 -4.923 1.00 8.77 H new ATOM 0 HE ARG A 76 -13.302 -2.290 -6.842 1.00 9.08 H new ATOM 0 HH11 ARG A 76 -16.685 -3.161 -6.266 1.00 11.04 H new ATOM 0 HH12 ARG A 76 -17.305 -2.031 -7.474 1.00 11.04 H new ATOM 0 HH21 ARG A 76 -14.100 -0.807 -8.375 1.00 10.84 H new ATOM 0 HH22 ARG A 76 -15.838 -0.694 -8.671 1.00 10.84 H new TER 1150 ARG A 76