USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 3 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00241) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.94) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 59:sc= 0.5 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0778 (180deg=-0.544) USER MOD Single : A 62 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.32) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 12.186 -6.222 -10.001 1.00 10.40 N ATOM 2 CA PRO A 1 12.257 -7.265 -8.973 1.00 52.35 C ATOM 3 C PRO A 1 11.017 -8.153 -8.963 1.00 4.12 C ATOM 4 O PRO A 1 10.009 -7.834 -9.592 1.00 75.44 O ATOM 5 CB PRO A 1 12.357 -6.471 -7.669 1.00 1.15 C ATOM 6 CG PRO A 1 11.722 -5.158 -7.974 1.00 20.43 C ATOM 7 CD PRO A 1 12.025 -4.878 -9.420 1.00 34.22 C ATOM 0 H2 PRO A 1 11.404 -6.416 -10.627 1.00 10.40 H new ATOM 0 H3 PRO A 1 13.034 -6.247 -10.567 1.00 10.40 H new ATOM 0 HA PRO A 1 13.092 -7.945 -9.139 1.00 52.35 H new ATOM 0 HB2 PRO A 1 11.841 -6.980 -6.855 1.00 1.15 H new ATOM 0 HB3 PRO A 1 13.395 -6.346 -7.360 1.00 1.15 H new ATOM 0 HG2 PRO A 1 10.647 -5.195 -7.801 1.00 20.43 H new ATOM 0 HG3 PRO A 1 12.122 -4.373 -7.332 1.00 20.43 H new ATOM 0 HD2 PRO A 1 11.217 -4.327 -9.901 1.00 34.22 H new ATOM 0 HD3 PRO A 1 12.930 -4.280 -9.533 1.00 34.22 H new ATOM 15 N ARG A 2 11.100 -9.267 -8.244 1.00 31.44 N ATOM 16 CA ARG A 2 9.985 -10.202 -8.152 1.00 14.11 C ATOM 17 C ARG A 2 9.186 -9.971 -6.872 1.00 70.43 C ATOM 18 O ARG A 2 9.747 -9.634 -5.831 1.00 43.41 O ATOM 19 CB ARG A 2 10.495 -11.644 -8.195 1.00 14.52 C ATOM 20 CG ARG A 2 11.467 -11.912 -9.332 1.00 31.12 C ATOM 21 CD ARG A 2 11.756 -13.398 -9.479 1.00 14.13 C ATOM 22 NE ARG A 2 10.745 -14.075 -10.287 1.00 13.42 N ATOM 23 CZ ARG A 2 10.640 -13.932 -11.603 1.00 61.43 C ATOM 24 NH1 ARG A 2 11.481 -13.142 -12.257 1.00 35.11 N ATOM 25 NH2 ARG A 2 9.694 -14.582 -12.269 1.00 14.21 N ATOM 0 H ARG A 2 11.928 -9.544 -7.716 1.00 31.44 H new ATOM 0 HA ARG A 2 9.329 -10.031 -9.005 1.00 14.11 H new ATOM 0 HB2 ARG A 2 10.983 -11.876 -7.249 1.00 14.52 H new ATOM 0 HB3 ARG A 2 9.644 -12.319 -8.289 1.00 14.52 H new ATOM 0 HG2 ARG A 2 11.054 -11.527 -10.264 1.00 31.12 H new ATOM 0 HG3 ARG A 2 12.398 -11.375 -9.150 1.00 31.12 H new ATOM 0 HD2 ARG A 2 12.736 -13.533 -9.937 1.00 14.13 H new ATOM 0 HD3 ARG A 2 11.799 -13.858 -8.492 1.00 14.13 H new ATOM 0 HE ARG A 2 10.084 -14.691 -9.815 1.00 13.42 H new ATOM 0 HH11 ARG A 2 12.211 -12.642 -11.749 1.00 35.11 H new ATOM 0 HH12 ARG A 2 11.398 -13.034 -13.268 1.00 35.11 H new ATOM 0 HH21 ARG A 2 9.047 -15.192 -11.770 1.00 14.21 H new ATOM 0 HH22 ARG A 2 9.614 -14.471 -13.280 1.00 14.21 H new ATOM 39 N ASN A 3 7.873 -10.156 -6.959 1.00 73.12 N ATOM 40 CA ASN A 3 6.996 -9.967 -5.809 1.00 25.23 C ATOM 41 C ASN A 3 7.497 -10.763 -4.607 1.00 60.33 C ATOM 42 O ASN A 3 7.392 -11.990 -4.573 1.00 11.21 O ATOM 43 CB ASN A 3 5.567 -10.390 -6.155 1.00 43.30 C ATOM 44 CG ASN A 3 5.525 -11.649 -7.000 1.00 1.54 C ATOM 45 OD1 ASN A 3 5.728 -11.602 -8.213 1.00 23.51 O ATOM 46 ND2 ASN A 3 5.260 -12.781 -6.360 1.00 32.54 N ATOM 0 H ASN A 3 7.393 -10.437 -7.814 1.00 73.12 H new ATOM 0 HA ASN A 3 7.001 -8.908 -5.550 1.00 25.23 H new ATOM 0 HB2 ASN A 3 5.007 -10.555 -5.235 1.00 43.30 H new ATOM 0 HB3 ASN A 3 5.071 -9.580 -6.690 1.00 43.30 H new ATOM 0 HD21 ASN A 3 5.218 -13.660 -6.875 1.00 32.54 H new ATOM 0 HD22 ASN A 3 5.098 -12.772 -5.353 1.00 32.54 H new ATOM 53 N THR A 4 8.042 -10.057 -3.622 1.00 11.15 N ATOM 54 CA THR A 4 8.559 -10.696 -2.418 1.00 63.34 C ATOM 55 C THR A 4 7.431 -11.055 -1.458 1.00 2.43 C ATOM 56 O THR A 4 7.575 -11.947 -0.622 1.00 71.11 O ATOM 57 CB THR A 4 9.570 -9.790 -1.691 1.00 13.24 C ATOM 58 OG1 THR A 4 9.054 -8.457 -1.598 1.00 20.12 O ATOM 59 CG2 THR A 4 10.905 -9.773 -2.420 1.00 13.32 C ATOM 0 H THR A 4 8.137 -9.042 -3.634 1.00 11.15 H new ATOM 0 HA THR A 4 9.064 -11.608 -2.736 1.00 63.34 H new ATOM 0 HB THR A 4 9.727 -10.189 -0.689 1.00 13.24 H new ATOM 0 HG1 THR A 4 9.702 -7.887 -1.133 1.00 20.12 H new ATOM 0 HG21 THR A 4 11.602 -9.126 -1.887 1.00 13.32 H new ATOM 0 HG22 THR A 4 11.309 -10.784 -2.463 1.00 13.32 H new ATOM 0 HG23 THR A 4 10.762 -9.396 -3.433 1.00 13.32 H new ATOM 67 N ARG A 5 6.309 -10.354 -1.583 1.00 10.35 N ATOM 68 CA ARG A 5 5.156 -10.598 -0.724 1.00 61.22 C ATOM 69 C ARG A 5 4.782 -12.078 -0.724 1.00 43.42 C ATOM 70 O ARG A 5 4.521 -12.661 0.327 1.00 21.11 O ATOM 71 CB ARG A 5 3.963 -9.760 -1.186 1.00 12.31 C ATOM 72 CG ARG A 5 2.665 -10.103 -0.473 1.00 71.45 C ATOM 73 CD ARG A 5 1.609 -9.031 -0.691 1.00 41.20 C ATOM 74 NE ARG A 5 0.636 -8.992 0.397 1.00 2.34 N ATOM 75 CZ ARG A 5 0.891 -8.470 1.592 1.00 15.41 C ATOM 76 NH1 ARG A 5 2.080 -7.945 1.850 1.00 4.22 N ATOM 77 NH2 ARG A 5 -0.047 -8.471 2.531 1.00 23.24 N ATOM 0 H ARG A 5 6.174 -9.613 -2.270 1.00 10.35 H new ATOM 0 HA ARG A 5 5.423 -10.308 0.292 1.00 61.22 H new ATOM 0 HB2 ARG A 5 4.187 -8.705 -1.027 1.00 12.31 H new ATOM 0 HB3 ARG A 5 3.826 -9.898 -2.258 1.00 12.31 H new ATOM 0 HG2 ARG A 5 2.292 -11.061 -0.835 1.00 71.45 H new ATOM 0 HG3 ARG A 5 2.854 -10.217 0.594 1.00 71.45 H new ATOM 0 HD2 ARG A 5 2.093 -8.058 -0.780 1.00 41.20 H new ATOM 0 HD3 ARG A 5 1.093 -9.217 -1.633 1.00 41.20 H new ATOM 0 HE ARG A 5 -0.290 -9.387 0.231 1.00 2.34 H new ATOM 0 HH11 ARG A 5 2.803 -7.941 1.130 1.00 4.22 H new ATOM 0 HH12 ARG A 5 2.273 -7.545 2.768 1.00 4.22 H new ATOM 0 HH21 ARG A 5 -0.964 -8.873 2.335 1.00 23.24 H new ATOM 0 HH22 ARG A 5 0.149 -8.070 3.448 1.00 23.24 H new ATOM 91 N GLU A 6 4.759 -12.677 -1.911 1.00 13.23 N ATOM 92 CA GLU A 6 4.415 -14.088 -2.047 1.00 4.54 C ATOM 93 C GLU A 6 5.320 -14.954 -1.175 1.00 13.13 C ATOM 94 O GLU A 6 6.544 -14.833 -1.218 1.00 1.42 O ATOM 95 CB GLU A 6 4.528 -14.524 -3.509 1.00 32.12 C ATOM 96 CG GLU A 6 3.298 -14.195 -4.338 1.00 61.34 C ATOM 97 CD GLU A 6 3.257 -14.958 -5.649 1.00 4.54 C ATOM 98 OE1 GLU A 6 2.270 -14.798 -6.397 1.00 1.23 O ATOM 99 OE2 GLU A 6 4.212 -15.713 -5.926 1.00 32.41 O ATOM 0 H GLU A 6 4.974 -12.208 -2.791 1.00 13.23 H new ATOM 0 HA GLU A 6 3.385 -14.219 -1.715 1.00 4.54 H new ATOM 0 HB2 GLU A 6 5.397 -14.043 -3.957 1.00 32.12 H new ATOM 0 HB3 GLU A 6 4.704 -15.599 -3.546 1.00 32.12 H new ATOM 0 HG2 GLU A 6 2.403 -14.425 -3.760 1.00 61.34 H new ATOM 0 HG3 GLU A 6 3.279 -13.125 -4.544 1.00 61.34 H new ATOM 106 N VAL A 7 4.707 -15.828 -0.383 1.00 21.51 N ATOM 107 CA VAL A 7 5.455 -16.716 0.499 1.00 25.02 C ATOM 108 C VAL A 7 6.560 -17.442 -0.260 1.00 70.32 C ATOM 109 O VAL A 7 7.618 -17.740 0.295 1.00 11.20 O ATOM 110 CB VAL A 7 4.533 -17.757 1.162 1.00 4.30 C ATOM 111 CG1 VAL A 7 5.311 -18.601 2.159 1.00 25.35 C ATOM 112 CG2 VAL A 7 3.355 -17.071 1.837 1.00 50.25 C ATOM 0 H VAL A 7 3.694 -15.940 -0.334 1.00 21.51 H new ATOM 0 HA VAL A 7 5.900 -16.091 1.273 1.00 25.02 H new ATOM 0 HB VAL A 7 4.144 -18.418 0.388 1.00 4.30 H new ATOM 0 HG11 VAL A 7 4.643 -19.331 2.617 1.00 25.35 H new ATOM 0 HG12 VAL A 7 6.118 -19.121 1.643 1.00 25.35 H new ATOM 0 HG13 VAL A 7 5.730 -17.957 2.932 1.00 25.35 H new ATOM 0 HG21 VAL A 7 2.714 -17.821 2.300 1.00 50.25 H new ATOM 0 HG22 VAL A 7 3.722 -16.386 2.601 1.00 50.25 H new ATOM 0 HG23 VAL A 7 2.784 -16.514 1.094 1.00 50.25 H new ATOM 122 N PHE A 8 6.307 -17.725 -1.534 1.00 5.11 N ATOM 123 CA PHE A 8 7.281 -18.417 -2.371 1.00 35.32 C ATOM 124 C PHE A 8 8.639 -17.724 -2.312 1.00 72.44 C ATOM 125 O PHE A 8 9.681 -18.365 -2.448 1.00 33.23 O ATOM 126 CB PHE A 8 6.788 -18.478 -3.818 1.00 63.22 C ATOM 127 CG PHE A 8 7.791 -19.069 -4.768 1.00 33.00 C ATOM 128 CD1 PHE A 8 8.466 -18.265 -5.672 1.00 74.13 C ATOM 129 CD2 PHE A 8 8.058 -20.429 -4.757 1.00 14.42 C ATOM 130 CE1 PHE A 8 9.389 -18.805 -6.547 1.00 60.54 C ATOM 131 CE2 PHE A 8 8.980 -20.975 -5.629 1.00 42.41 C ATOM 132 CZ PHE A 8 9.646 -20.162 -6.526 1.00 72.33 C ATOM 0 H PHE A 8 5.437 -17.486 -2.009 1.00 5.11 H new ATOM 0 HA PHE A 8 7.395 -19.432 -1.990 1.00 35.32 H new ATOM 0 HB2 PHE A 8 5.872 -19.067 -3.857 1.00 63.22 H new ATOM 0 HB3 PHE A 8 6.534 -17.471 -4.150 1.00 63.22 H new ATOM 0 HD1 PHE A 8 8.268 -17.203 -5.693 1.00 74.13 H new ATOM 0 HD2 PHE A 8 7.539 -21.069 -4.059 1.00 14.42 H new ATOM 0 HE1 PHE A 8 9.909 -18.167 -7.246 1.00 60.54 H new ATOM 0 HE2 PHE A 8 9.180 -22.036 -5.610 1.00 42.41 H new ATOM 0 HZ PHE A 8 10.366 -20.587 -7.210 1.00 72.33 H new ATOM 142 N ALA A 9 8.618 -16.411 -2.111 1.00 22.05 N ATOM 143 CA ALA A 9 9.847 -15.631 -2.033 1.00 12.33 C ATOM 144 C ALA A 9 10.536 -15.824 -0.686 1.00 72.42 C ATOM 145 O ALA A 9 11.763 -15.883 -0.610 1.00 73.40 O ATOM 146 CB ALA A 9 9.552 -14.157 -2.270 1.00 0.02 C ATOM 0 H ALA A 9 7.764 -15.865 -1.999 1.00 22.05 H new ATOM 0 HA ALA A 9 10.523 -15.986 -2.811 1.00 12.33 H new ATOM 0 HB1 ALA A 9 10.479 -13.586 -2.209 1.00 0.02 H new ATOM 0 HB2 ALA A 9 9.111 -14.029 -3.259 1.00 0.02 H new ATOM 0 HB3 ALA A 9 8.855 -13.799 -1.512 1.00 0.02 H new ATOM 152 N GLN A 10 9.739 -15.922 0.373 1.00 55.33 N ATOM 153 CA GLN A 10 10.273 -16.107 1.716 1.00 22.25 C ATOM 154 C GLN A 10 10.994 -17.446 1.836 1.00 71.04 C ATOM 155 O GLN A 10 12.150 -17.505 2.254 1.00 62.41 O ATOM 156 CB GLN A 10 9.150 -16.026 2.751 1.00 15.41 C ATOM 157 CG GLN A 10 9.647 -15.985 4.187 1.00 15.22 C ATOM 158 CD GLN A 10 8.517 -16.040 5.197 1.00 4.13 C ATOM 159 OE1 GLN A 10 8.158 -15.028 5.800 1.00 25.12 O ATOM 160 NE2 GLN A 10 7.950 -17.225 5.388 1.00 63.55 N ATOM 0 H GLN A 10 8.721 -15.876 0.326 1.00 55.33 H new ATOM 0 HA GLN A 10 10.991 -15.309 1.906 1.00 22.25 H new ATOM 0 HB2 GLN A 10 8.552 -15.136 2.557 1.00 15.41 H new ATOM 0 HB3 GLN A 10 8.491 -16.886 2.628 1.00 15.41 H new ATOM 0 HG2 GLN A 10 10.323 -16.823 4.358 1.00 15.22 H new ATOM 0 HG3 GLN A 10 10.224 -15.073 4.342 1.00 15.22 H new ATOM 0 HE21 GLN A 10 8.279 -18.038 4.867 1.00 63.55 H new ATOM 0 HE22 GLN A 10 7.185 -17.323 6.056 1.00 63.55 H new ATOM 169 N VAL A 11 10.303 -18.520 1.465 1.00 12.54 N ATOM 170 CA VAL A 11 10.877 -19.858 1.530 1.00 30.10 C ATOM 171 C VAL A 11 12.078 -19.986 0.600 1.00 61.41 C ATOM 172 O VAL A 11 12.990 -20.775 0.850 1.00 50.11 O ATOM 173 CB VAL A 11 9.838 -20.933 1.160 1.00 72.11 C ATOM 174 CG1 VAL A 11 9.287 -20.685 -0.236 1.00 70.21 C ATOM 175 CG2 VAL A 11 10.449 -22.322 1.262 1.00 64.22 C ATOM 0 H VAL A 11 9.345 -18.489 1.116 1.00 12.54 H new ATOM 0 HA VAL A 11 11.200 -20.015 2.559 1.00 30.10 H new ATOM 0 HB VAL A 11 9.011 -20.872 1.867 1.00 72.11 H new ATOM 0 HG11 VAL A 11 8.554 -21.454 -0.480 1.00 70.21 H new ATOM 0 HG12 VAL A 11 8.810 -19.706 -0.270 1.00 70.21 H new ATOM 0 HG13 VAL A 11 10.102 -20.717 -0.960 1.00 70.21 H new ATOM 0 HG21 VAL A 11 9.701 -23.069 0.997 1.00 64.22 H new ATOM 0 HG22 VAL A 11 11.295 -22.398 0.579 1.00 64.22 H new ATOM 0 HG23 VAL A 11 10.789 -22.496 2.283 1.00 64.22 H new ATOM 185 N LYS A 12 12.073 -19.205 -0.475 1.00 71.40 N ATOM 186 CA LYS A 12 13.163 -19.229 -1.444 1.00 15.24 C ATOM 187 C LYS A 12 14.489 -18.872 -0.780 1.00 15.33 C ATOM 188 O LYS A 12 15.498 -19.543 -0.990 1.00 21.43 O ATOM 189 CB LYS A 12 12.875 -18.256 -2.589 1.00 41.51 C ATOM 190 CG LYS A 12 13.936 -18.265 -3.676 1.00 71.42 C ATOM 191 CD LYS A 12 14.976 -17.181 -3.450 1.00 52.24 C ATOM 192 CE LYS A 12 14.580 -15.879 -4.130 1.00 11.11 C ATOM 193 NZ LYS A 12 14.842 -15.916 -5.595 1.00 72.14 N ATOM 0 H LYS A 12 11.326 -18.547 -0.697 1.00 71.40 H new ATOM 0 HA LYS A 12 13.238 -20.240 -1.845 1.00 15.24 H new ATOM 0 HB2 LYS A 12 11.911 -18.505 -3.032 1.00 41.51 H new ATOM 0 HB3 LYS A 12 12.789 -17.247 -2.185 1.00 41.51 H new ATOM 0 HG2 LYS A 12 14.424 -19.239 -3.701 1.00 71.42 H new ATOM 0 HG3 LYS A 12 13.464 -18.120 -4.648 1.00 71.42 H new ATOM 0 HD2 LYS A 12 15.100 -17.011 -2.380 1.00 52.24 H new ATOM 0 HD3 LYS A 12 15.940 -17.515 -3.834 1.00 52.24 H new ATOM 0 HE2 LYS A 12 13.522 -15.685 -3.955 1.00 11.11 H new ATOM 0 HE3 LYS A 12 15.133 -15.053 -3.683 1.00 11.11 H new ATOM 0 HZ1 LYS A 12 14.591 -14.999 -6.016 1.00 72.14 H new ATOM 0 HZ2 LYS A 12 15.850 -16.109 -5.763 1.00 72.14 H new ATOM 0 HZ3 LYS A 12 14.269 -16.666 -6.031 1.00 72.14 H new ATOM 207 N GLN A 13 14.477 -17.812 0.022 1.00 1.14 N ATOM 208 CA GLN A 13 15.679 -17.367 0.717 1.00 24.42 C ATOM 209 C GLN A 13 16.283 -18.501 1.540 1.00 10.32 C ATOM 210 O GLN A 13 17.500 -18.586 1.698 1.00 65.05 O ATOM 211 CB GLN A 13 15.360 -16.177 1.623 1.00 34.35 C ATOM 212 CG GLN A 13 16.580 -15.350 1.994 1.00 13.31 C ATOM 213 CD GLN A 13 16.219 -14.080 2.740 1.00 61.11 C ATOM 214 OE1 GLN A 13 15.647 -14.128 3.829 1.00 0.43 O ATOM 215 NE2 GLN A 13 16.553 -12.935 2.156 1.00 74.10 N ATOM 0 H GLN A 13 13.649 -17.246 0.206 1.00 1.14 H new ATOM 0 HA GLN A 13 16.408 -17.058 -0.032 1.00 24.42 H new ATOM 0 HB2 GLN A 13 14.635 -15.535 1.123 1.00 34.35 H new ATOM 0 HB3 GLN A 13 14.888 -16.542 2.535 1.00 34.35 H new ATOM 0 HG2 GLN A 13 17.248 -15.951 2.610 1.00 13.31 H new ATOM 0 HG3 GLN A 13 17.128 -15.091 1.088 1.00 13.31 H new ATOM 0 HE21 GLN A 13 17.026 -12.942 1.253 1.00 74.10 H new ATOM 0 HE22 GLN A 13 16.336 -12.048 2.611 1.00 74.10 H new ATOM 224 N MET A 14 15.423 -19.368 2.063 1.00 30.44 N ATOM 225 CA MET A 14 15.872 -20.497 2.870 1.00 63.31 C ATOM 226 C MET A 14 16.332 -21.650 1.983 1.00 33.31 C ATOM 227 O MET A 14 16.305 -21.551 0.756 1.00 31.12 O ATOM 228 CB MET A 14 14.750 -20.968 3.797 1.00 2.44 C ATOM 229 CG MET A 14 14.250 -19.887 4.742 1.00 33.22 C ATOM 230 SD MET A 14 15.360 -19.615 6.137 1.00 51.14 S ATOM 231 CE MET A 14 15.863 -17.921 5.843 1.00 31.12 C ATOM 0 H MET A 14 14.412 -19.311 1.943 1.00 30.44 H new ATOM 0 HA MET A 14 16.717 -20.166 3.474 1.00 63.31 H new ATOM 0 HB2 MET A 14 13.916 -21.325 3.193 1.00 2.44 H new ATOM 0 HB3 MET A 14 15.105 -21.816 4.383 1.00 2.44 H new ATOM 0 HG2 MET A 14 14.131 -18.954 4.190 1.00 33.22 H new ATOM 0 HG3 MET A 14 13.264 -20.164 5.116 1.00 33.22 H new ATOM 0 HE1 MET A 14 16.554 -17.606 6.625 1.00 31.12 H new ATOM 0 HE2 MET A 14 16.356 -17.851 4.873 1.00 31.12 H new ATOM 0 HE3 MET A 14 14.986 -17.274 5.851 1.00 31.12 H new ATOM 241 N TYR A 15 16.753 -22.742 2.611 1.00 31.23 N ATOM 242 CA TYR A 15 17.221 -23.913 1.879 1.00 52.12 C ATOM 243 C TYR A 15 16.125 -24.461 0.970 1.00 52.32 C ATOM 244 O TYR A 15 15.392 -25.377 1.343 1.00 50.00 O ATOM 245 CB TYR A 15 17.682 -24.999 2.852 1.00 13.03 C ATOM 246 CG TYR A 15 18.910 -24.618 3.648 1.00 52.33 C ATOM 247 CD1 TYR A 15 19.006 -24.919 5.001 1.00 63.33 C ATOM 248 CD2 TYR A 15 19.973 -23.955 3.047 1.00 70.31 C ATOM 249 CE1 TYR A 15 20.126 -24.572 5.732 1.00 60.43 C ATOM 250 CE2 TYR A 15 21.097 -23.606 3.770 1.00 41.13 C ATOM 251 CZ TYR A 15 21.169 -23.916 5.112 1.00 71.33 C ATOM 252 OH TYR A 15 22.286 -23.569 5.835 1.00 4.35 O ATOM 0 H TYR A 15 16.780 -22.841 3.626 1.00 31.23 H new ATOM 0 HA TYR A 15 18.064 -23.609 1.259 1.00 52.12 H new ATOM 0 HB2 TYR A 15 16.869 -25.226 3.541 1.00 13.03 H new ATOM 0 HB3 TYR A 15 17.890 -25.911 2.293 1.00 13.03 H new ATOM 0 HD1 TYR A 15 18.191 -25.433 5.490 1.00 63.33 H new ATOM 0 HD2 TYR A 15 19.919 -23.708 1.997 1.00 70.31 H new ATOM 0 HE1 TYR A 15 20.184 -24.813 6.783 1.00 60.43 H new ATOM 0 HE2 TYR A 15 21.915 -23.093 3.287 1.00 41.13 H new ATOM 0 HH TYR A 15 22.927 -23.115 5.249 1.00 4.35 H new ATOM 262 N LYS A 16 16.019 -23.893 -0.227 1.00 1.23 N ATOM 263 CA LYS A 16 15.015 -24.323 -1.192 1.00 60.34 C ATOM 264 C LYS A 16 15.171 -25.806 -1.515 1.00 41.24 C ATOM 265 O LYS A 16 14.256 -26.600 -1.296 1.00 53.13 O ATOM 266 CB LYS A 16 15.124 -23.497 -2.476 1.00 4.44 C ATOM 267 CG LYS A 16 14.099 -23.873 -3.531 1.00 15.43 C ATOM 268 CD LYS A 16 12.680 -23.685 -3.021 1.00 15.13 C ATOM 269 CE LYS A 16 11.653 -24.034 -4.088 1.00 1.24 C ATOM 270 NZ LYS A 16 10.267 -24.039 -3.543 1.00 61.30 N ATOM 0 H LYS A 16 16.617 -23.133 -0.552 1.00 1.23 H new ATOM 0 HA LYS A 16 14.031 -24.166 -0.749 1.00 60.34 H new ATOM 0 HB2 LYS A 16 15.009 -22.441 -2.230 1.00 4.44 H new ATOM 0 HB3 LYS A 16 16.124 -23.620 -2.893 1.00 4.44 H new ATOM 0 HG2 LYS A 16 14.251 -23.262 -4.421 1.00 15.43 H new ATOM 0 HG3 LYS A 16 14.245 -24.911 -3.828 1.00 15.43 H new ATOM 0 HD2 LYS A 16 12.522 -24.312 -2.143 1.00 15.13 H new ATOM 0 HD3 LYS A 16 12.540 -22.652 -2.704 1.00 15.13 H new ATOM 0 HE2 LYS A 16 11.719 -23.315 -4.905 1.00 1.24 H new ATOM 0 HE3 LYS A 16 11.882 -25.014 -4.506 1.00 1.24 H new ATOM 0 HZ1 LYS A 16 9.597 -24.281 -4.301 1.00 61.30 H new ATOM 0 HZ2 LYS A 16 10.196 -24.743 -2.780 1.00 61.30 H new ATOM 0 HZ3 LYS A 16 10.038 -23.097 -3.167 1.00 61.30 H new ATOM 284 N THR A 17 16.338 -26.174 -2.037 1.00 15.23 N ATOM 285 CA THR A 17 16.614 -27.561 -2.389 1.00 54.33 C ATOM 286 C THR A 17 18.111 -27.803 -2.538 1.00 43.51 C ATOM 287 O THR A 17 18.572 -28.420 -3.498 1.00 45.24 O ATOM 288 CB THR A 17 15.908 -27.958 -3.700 1.00 22.33 C ATOM 289 OG1 THR A 17 15.829 -26.828 -4.576 1.00 20.42 O ATOM 290 CG2 THR A 17 14.510 -28.490 -3.422 1.00 2.11 C ATOM 0 H THR A 17 17.107 -25.530 -2.225 1.00 15.23 H new ATOM 0 HA THR A 17 16.229 -28.177 -1.576 1.00 54.33 H new ATOM 0 HB THR A 17 16.491 -28.746 -4.177 1.00 22.33 H new ATOM 0 HG1 THR A 17 15.381 -27.089 -5.407 1.00 20.42 H new ATOM 0 HG21 THR A 17 14.031 -28.764 -4.362 1.00 2.11 H new ATOM 0 HG22 THR A 17 14.576 -29.368 -2.779 1.00 2.11 H new ATOM 0 HG23 THR A 17 13.920 -27.720 -2.925 1.00 2.11 H new ATOM 298 N PRO A 18 18.891 -27.306 -1.566 1.00 61.22 N ATOM 299 CA PRO A 18 20.349 -27.457 -1.566 1.00 62.44 C ATOM 300 C PRO A 18 20.783 -28.897 -1.314 1.00 33.33 C ATOM 301 O PRO A 18 20.259 -29.568 -0.423 1.00 41.31 O ATOM 302 CB PRO A 18 20.800 -26.554 -0.416 1.00 53.41 C ATOM 303 CG PRO A 18 19.622 -26.483 0.494 1.00 62.22 C ATOM 304 CD PRO A 18 18.409 -26.560 -0.392 1.00 3.22 C ATOM 0 HA PRO A 18 20.785 -27.193 -2.529 1.00 62.44 H new ATOM 0 HB2 PRO A 18 21.670 -26.967 0.094 1.00 53.41 H new ATOM 0 HB3 PRO A 18 21.082 -25.565 -0.777 1.00 53.41 H new ATOM 0 HG2 PRO A 18 19.634 -27.303 1.212 1.00 62.22 H new ATOM 0 HG3 PRO A 18 19.628 -25.557 1.068 1.00 62.22 H new ATOM 0 HD2 PRO A 18 17.584 -27.075 0.100 1.00 3.22 H new ATOM 0 HD3 PRO A 18 18.048 -25.569 -0.666 1.00 3.22 H new ATOM 312 N THR A 19 21.743 -29.369 -2.103 1.00 4.42 N ATOM 313 CA THR A 19 22.247 -30.729 -1.965 1.00 31.31 C ATOM 314 C THR A 19 21.114 -31.746 -2.050 1.00 42.11 C ATOM 315 O THR A 19 21.008 -32.644 -1.213 1.00 51.25 O ATOM 316 CB THR A 19 22.993 -30.920 -0.631 1.00 2.30 C ATOM 317 OG1 THR A 19 23.669 -29.710 -0.271 1.00 4.11 O ATOM 318 CG2 THR A 19 23.998 -32.058 -0.731 1.00 13.25 C ATOM 0 H THR A 19 22.187 -28.828 -2.845 1.00 4.42 H new ATOM 0 HA THR A 19 22.942 -30.893 -2.788 1.00 31.31 H new ATOM 0 HB THR A 19 22.261 -31.170 0.137 1.00 2.30 H new ATOM 0 HG1 THR A 19 24.140 -29.839 0.579 1.00 4.11 H new ATOM 0 HG21 THR A 19 24.512 -32.174 0.223 1.00 13.25 H new ATOM 0 HG22 THR A 19 23.477 -32.983 -0.977 1.00 13.25 H new ATOM 0 HG23 THR A 19 24.726 -31.833 -1.511 1.00 13.25 H new ATOM 326 N LEU A 20 20.270 -31.600 -3.065 1.00 61.34 N ATOM 327 CA LEU A 20 19.144 -32.507 -3.261 1.00 23.45 C ATOM 328 C LEU A 20 19.607 -33.825 -3.875 1.00 54.42 C ATOM 329 O LEU A 20 20.802 -34.045 -4.073 1.00 13.31 O ATOM 330 CB LEU A 20 18.089 -31.856 -4.156 1.00 34.42 C ATOM 331 CG LEU A 20 16.638 -31.994 -3.692 1.00 40.01 C ATOM 332 CD1 LEU A 20 16.397 -31.166 -2.439 1.00 42.15 C ATOM 333 CD2 LEU A 20 15.682 -31.578 -4.801 1.00 21.04 C ATOM 0 H LEU A 20 20.344 -30.862 -3.765 1.00 61.34 H new ATOM 0 HA LEU A 20 18.704 -32.717 -2.286 1.00 23.45 H new ATOM 0 HB2 LEU A 20 18.322 -30.795 -4.245 1.00 34.42 H new ATOM 0 HB3 LEU A 20 18.173 -32.286 -5.154 1.00 34.42 H new ATOM 0 HG LEU A 20 16.451 -33.041 -3.452 1.00 40.01 H new ATOM 0 HD11 LEU A 20 15.359 -31.277 -2.124 1.00 42.15 H new ATOM 0 HD12 LEU A 20 17.057 -31.510 -1.643 1.00 42.15 H new ATOM 0 HD13 LEU A 20 16.602 -30.117 -2.651 1.00 42.15 H new ATOM 0 HD21 LEU A 20 14.654 -31.683 -4.454 1.00 21.04 H new ATOM 0 HD22 LEU A 20 15.869 -30.539 -5.072 1.00 21.04 H new ATOM 0 HD23 LEU A 20 15.837 -32.214 -5.672 1.00 21.04 H new ATOM 345 N LYS A 21 18.652 -34.698 -4.178 1.00 13.42 N ATOM 346 CA LYS A 21 18.959 -35.992 -4.774 1.00 31.43 C ATOM 347 C LYS A 21 19.009 -35.893 -6.295 1.00 31.10 C ATOM 348 O LYS A 21 19.097 -36.905 -6.990 1.00 64.42 O ATOM 349 CB LYS A 21 17.916 -37.031 -4.354 1.00 11.42 C ATOM 350 CG LYS A 21 18.094 -37.531 -2.931 1.00 2.22 C ATOM 351 CD LYS A 21 17.073 -38.601 -2.584 1.00 20.11 C ATOM 352 CE LYS A 21 17.469 -39.955 -3.154 1.00 13.41 C ATOM 353 NZ LYS A 21 16.279 -40.760 -3.546 1.00 64.41 N ATOM 0 H LYS A 21 17.658 -34.532 -4.020 1.00 13.42 H new ATOM 0 HA LYS A 21 19.940 -36.305 -4.416 1.00 31.43 H new ATOM 0 HB2 LYS A 21 16.921 -36.597 -4.456 1.00 11.42 H new ATOM 0 HB3 LYS A 21 17.965 -37.879 -5.037 1.00 11.42 H new ATOM 0 HG2 LYS A 21 19.100 -37.933 -2.809 1.00 2.22 H new ATOM 0 HG3 LYS A 21 17.998 -36.696 -2.236 1.00 2.22 H new ATOM 0 HD2 LYS A 21 16.976 -38.675 -1.501 1.00 20.11 H new ATOM 0 HD3 LYS A 21 16.096 -38.313 -2.973 1.00 20.11 H new ATOM 0 HE2 LYS A 21 18.112 -39.810 -4.022 1.00 13.41 H new ATOM 0 HE3 LYS A 21 18.052 -40.504 -2.414 1.00 13.41 H new ATOM 0 HZ1 LYS A 21 16.590 -41.675 -3.930 1.00 64.41 H new ATOM 0 HZ2 LYS A 21 15.678 -40.920 -2.712 1.00 64.41 H new ATOM 0 HZ3 LYS A 21 15.736 -40.247 -4.270 1.00 64.41 H new ATOM 367 N TYR A 22 18.953 -34.668 -6.805 1.00 41.03 N ATOM 368 CA TYR A 22 18.991 -34.437 -8.244 1.00 61.05 C ATOM 369 C TYR A 22 20.404 -34.621 -8.789 1.00 25.43 C ATOM 370 O TYR A 22 20.627 -34.579 -9.999 1.00 32.21 O ATOM 371 CB TYR A 22 18.487 -33.030 -8.570 1.00 31.11 C ATOM 372 CG TYR A 22 17.032 -32.988 -8.979 1.00 51.11 C ATOM 373 CD1 TYR A 22 16.585 -33.678 -10.100 1.00 10.44 C ATOM 374 CD2 TYR A 22 16.104 -32.258 -8.246 1.00 44.13 C ATOM 375 CE1 TYR A 22 15.257 -33.642 -10.478 1.00 12.42 C ATOM 376 CE2 TYR A 22 14.774 -32.217 -8.616 1.00 61.33 C ATOM 377 CZ TYR A 22 14.355 -32.911 -9.733 1.00 2.53 C ATOM 378 OH TYR A 22 13.031 -32.871 -10.105 1.00 61.53 O ATOM 0 H TYR A 22 18.881 -33.820 -6.243 1.00 41.03 H new ATOM 0 HA TYR A 22 18.339 -35.169 -8.720 1.00 61.05 H new ATOM 0 HB2 TYR A 22 18.629 -32.391 -7.698 1.00 31.11 H new ATOM 0 HB3 TYR A 22 19.094 -32.613 -9.374 1.00 31.11 H new ATOM 0 HD1 TYR A 22 17.288 -34.252 -10.685 1.00 10.44 H new ATOM 0 HD2 TYR A 22 16.429 -31.713 -7.372 1.00 44.13 H new ATOM 0 HE1 TYR A 22 14.927 -34.183 -11.352 1.00 12.42 H new ATOM 0 HE2 TYR A 22 14.066 -31.645 -8.035 1.00 61.33 H new ATOM 0 HH TYR A 22 12.531 -32.313 -9.474 1.00 61.53 H new ATOM 388 N PHE A 23 21.357 -34.827 -7.885 1.00 41.32 N ATOM 389 CA PHE A 23 22.750 -35.018 -8.273 1.00 11.42 C ATOM 390 C PHE A 23 22.948 -36.376 -8.939 1.00 31.13 C ATOM 391 O PHE A 23 23.871 -36.563 -9.730 1.00 22.32 O ATOM 392 CB PHE A 23 23.662 -34.898 -7.050 1.00 65.44 C ATOM 393 CG PHE A 23 23.665 -36.124 -6.183 1.00 23.34 C ATOM 394 CD1 PHE A 23 22.597 -36.398 -5.344 1.00 1.12 C ATOM 395 CD2 PHE A 23 24.737 -37.003 -6.205 1.00 53.33 C ATOM 396 CE1 PHE A 23 22.596 -37.525 -4.544 1.00 63.41 C ATOM 397 CE2 PHE A 23 24.741 -38.132 -5.408 1.00 43.13 C ATOM 398 CZ PHE A 23 23.670 -38.393 -4.576 1.00 5.12 C ATOM 0 H PHE A 23 21.190 -34.866 -6.880 1.00 41.32 H new ATOM 0 HA PHE A 23 23.012 -34.241 -8.991 1.00 11.42 H new ATOM 0 HB2 PHE A 23 24.680 -34.696 -7.384 1.00 65.44 H new ATOM 0 HB3 PHE A 23 23.346 -34.042 -6.454 1.00 65.44 H new ATOM 0 HD1 PHE A 23 21.755 -35.723 -5.315 1.00 1.12 H new ATOM 0 HD2 PHE A 23 25.578 -36.803 -6.852 1.00 53.33 H new ATOM 0 HE1 PHE A 23 21.757 -37.727 -3.895 1.00 63.41 H new ATOM 0 HE2 PHE A 23 25.581 -38.810 -5.436 1.00 43.13 H new ATOM 0 HZ PHE A 23 23.672 -39.274 -3.952 1.00 5.12 H new ATOM 408 N GLY A 24 22.073 -37.322 -8.611 1.00 70.42 N ATOM 409 CA GLY A 24 22.169 -38.652 -9.185 1.00 55.21 C ATOM 410 C GLY A 24 22.746 -39.662 -8.214 1.00 70.40 C ATOM 411 O GLY A 24 23.896 -39.543 -7.794 1.00 61.20 O ATOM 0 H GLY A 24 21.300 -37.191 -7.959 1.00 70.42 H new ATOM 0 HA2 GLY A 24 21.179 -38.981 -9.500 1.00 55.21 H new ATOM 0 HA3 GLY A 24 22.792 -38.615 -10.079 1.00 55.21 H new ATOM 415 N GLY A 25 21.944 -40.661 -7.855 1.00 5.34 N ATOM 416 CA GLY A 25 22.400 -41.681 -6.928 1.00 13.51 C ATOM 417 C GLY A 25 22.973 -42.893 -7.635 1.00 55.43 C ATOM 418 O GLY A 25 22.390 -43.977 -7.595 1.00 4.21 O ATOM 0 H GLY A 25 20.988 -40.782 -8.189 1.00 5.34 H new ATOM 0 HA2 GLY A 25 23.158 -41.256 -6.270 1.00 13.51 H new ATOM 0 HA3 GLY A 25 21.568 -41.992 -6.297 1.00 13.51 H new ATOM 422 N PHE A 26 24.116 -42.710 -8.287 1.00 41.20 N ATOM 423 CA PHE A 26 24.767 -43.797 -9.009 1.00 53.21 C ATOM 424 C PHE A 26 26.184 -44.022 -8.491 1.00 43.03 C ATOM 425 O PHE A 26 26.937 -43.072 -8.278 1.00 74.31 O ATOM 426 CB PHE A 26 24.802 -43.493 -10.508 1.00 53.43 C ATOM 427 CG PHE A 26 23.488 -43.008 -11.052 1.00 61.34 C ATOM 428 CD1 PHE A 26 23.310 -41.675 -11.385 1.00 20.04 C ATOM 429 CD2 PHE A 26 22.431 -43.886 -11.231 1.00 63.32 C ATOM 430 CE1 PHE A 26 22.103 -41.226 -11.886 1.00 33.10 C ATOM 431 CE2 PHE A 26 21.222 -43.443 -11.732 1.00 71.34 C ATOM 432 CZ PHE A 26 21.057 -42.111 -12.059 1.00 70.40 C ATOM 0 H PHE A 26 24.611 -41.819 -8.330 1.00 41.20 H new ATOM 0 HA PHE A 26 24.190 -44.707 -8.843 1.00 53.21 H new ATOM 0 HB2 PHE A 26 25.566 -42.740 -10.700 1.00 53.43 H new ATOM 0 HB3 PHE A 26 25.099 -44.393 -11.046 1.00 53.43 H new ATOM 0 HD1 PHE A 26 24.124 -40.978 -11.251 1.00 20.04 H new ATOM 0 HD2 PHE A 26 22.554 -44.928 -10.976 1.00 63.32 H new ATOM 0 HE1 PHE A 26 21.978 -40.184 -12.142 1.00 33.10 H new ATOM 0 HE2 PHE A 26 20.406 -44.138 -11.868 1.00 71.34 H new ATOM 0 HZ PHE A 26 20.112 -41.763 -12.449 1.00 70.40 H new ATOM 442 N ASN A 27 26.541 -45.287 -8.291 1.00 13.43 N ATOM 443 CA ASN A 27 27.867 -45.638 -7.797 1.00 2.33 C ATOM 444 C ASN A 27 28.188 -47.100 -8.091 1.00 11.00 C ATOM 445 O ASN A 27 27.361 -47.830 -8.638 1.00 62.11 O ATOM 446 CB ASN A 27 27.959 -45.377 -6.292 1.00 4.41 C ATOM 447 CG ASN A 27 28.336 -43.942 -5.976 1.00 42.01 C ATOM 448 OD1 ASN A 27 29.356 -43.438 -6.448 1.00 33.15 O ATOM 449 ND2 ASN A 27 27.513 -43.277 -5.174 1.00 53.02 N ATOM 0 H ASN A 27 25.930 -46.086 -8.464 1.00 13.43 H new ATOM 0 HA ASN A 27 28.596 -45.013 -8.313 1.00 2.33 H new ATOM 0 HB2 ASN A 27 27.001 -45.609 -5.827 1.00 4.41 H new ATOM 0 HB3 ASN A 27 28.697 -46.049 -5.854 1.00 4.41 H new ATOM 0 HD21 ASN A 27 27.715 -42.308 -4.926 1.00 53.02 H new ATOM 0 HD22 ASN A 27 26.679 -43.735 -4.806 1.00 53.02 H new ATOM 456 N PHE A 28 29.394 -47.521 -7.724 1.00 35.14 N ATOM 457 CA PHE A 28 29.824 -48.896 -7.948 1.00 63.12 C ATOM 458 C PHE A 28 28.831 -49.883 -7.342 1.00 22.13 C ATOM 459 O PHE A 28 28.700 -51.015 -7.808 1.00 45.44 O ATOM 460 CB PHE A 28 31.214 -49.122 -7.350 1.00 45.51 C ATOM 461 CG PHE A 28 31.358 -48.595 -5.951 1.00 34.13 C ATOM 462 CD1 PHE A 28 30.892 -49.327 -4.870 1.00 40.31 C ATOM 463 CD2 PHE A 28 31.957 -47.368 -5.716 1.00 23.21 C ATOM 464 CE1 PHE A 28 31.022 -48.845 -3.581 1.00 24.30 C ATOM 465 CE2 PHE A 28 32.091 -46.882 -4.429 1.00 71.01 C ATOM 466 CZ PHE A 28 31.622 -47.621 -3.360 1.00 52.25 C ATOM 0 H PHE A 28 30.090 -46.930 -7.270 1.00 35.14 H new ATOM 0 HA PHE A 28 29.867 -49.066 -9.024 1.00 63.12 H new ATOM 0 HB2 PHE A 28 31.432 -50.190 -7.352 1.00 45.51 H new ATOM 0 HB3 PHE A 28 31.957 -48.644 -7.988 1.00 45.51 H new ATOM 0 HD1 PHE A 28 30.422 -50.285 -5.037 1.00 40.31 H new ATOM 0 HD2 PHE A 28 32.323 -46.785 -6.548 1.00 23.21 H new ATOM 0 HE1 PHE A 28 30.655 -49.425 -2.747 1.00 24.30 H new ATOM 0 HE2 PHE A 28 32.562 -45.925 -4.259 1.00 71.01 H new ATOM 0 HZ PHE A 28 31.724 -47.242 -2.354 1.00 52.25 H new ATOM 476 N SER A 29 28.134 -49.446 -6.298 1.00 11.21 N ATOM 477 CA SER A 29 27.156 -50.291 -5.624 1.00 34.32 C ATOM 478 C SER A 29 26.112 -50.807 -6.610 1.00 63.41 C ATOM 479 O SER A 29 25.513 -51.862 -6.400 1.00 41.41 O ATOM 480 CB SER A 29 26.469 -49.515 -4.498 1.00 25.52 C ATOM 481 OG SER A 29 25.282 -50.167 -4.080 1.00 3.44 O ATOM 0 H SER A 29 28.229 -48.511 -5.901 1.00 11.21 H new ATOM 0 HA SER A 29 27.683 -51.145 -5.199 1.00 34.32 H new ATOM 0 HB2 SER A 29 27.150 -49.415 -3.653 1.00 25.52 H new ATOM 0 HB3 SER A 29 26.233 -48.507 -4.838 1.00 25.52 H new ATOM 0 HG SER A 29 24.863 -49.652 -3.359 1.00 3.44 H new ATOM 487 N GLN A 30 25.902 -50.056 -7.686 1.00 74.10 N ATOM 488 CA GLN A 30 24.930 -50.437 -8.705 1.00 4.22 C ATOM 489 C GLN A 30 25.218 -51.838 -9.235 1.00 44.50 C ATOM 490 O GLN A 30 24.314 -52.535 -9.696 1.00 45.24 O ATOM 491 CB GLN A 30 24.946 -49.430 -9.856 1.00 51.30 C ATOM 492 CG GLN A 30 24.050 -48.224 -9.622 1.00 21.13 C ATOM 493 CD GLN A 30 23.620 -47.556 -10.913 1.00 65.52 C ATOM 494 OE1 GLN A 30 22.437 -47.541 -11.254 1.00 63.30 O ATOM 495 NE2 GLN A 30 24.582 -46.999 -11.640 1.00 71.32 N ATOM 0 H GLN A 30 26.391 -49.181 -7.875 1.00 74.10 H new ATOM 0 HA GLN A 30 23.941 -50.438 -8.246 1.00 4.22 H new ATOM 0 HB2 GLN A 30 25.969 -49.087 -10.014 1.00 51.30 H new ATOM 0 HB3 GLN A 30 24.633 -49.932 -10.772 1.00 51.30 H new ATOM 0 HG2 GLN A 30 23.165 -48.536 -9.067 1.00 21.13 H new ATOM 0 HG3 GLN A 30 24.577 -47.500 -9.001 1.00 21.13 H new ATOM 0 HE21 GLN A 30 25.550 -47.035 -11.319 1.00 71.32 H new ATOM 0 HE22 GLN A 30 24.353 -46.535 -12.519 1.00 71.32 H new ATOM 504 N ILE A 31 26.482 -52.243 -9.166 1.00 40.52 N ATOM 505 CA ILE A 31 26.888 -53.560 -9.639 1.00 21.22 C ATOM 506 C ILE A 31 27.436 -54.409 -8.497 1.00 31.15 C ATOM 507 O ILE A 31 27.184 -55.613 -8.426 1.00 53.35 O ATOM 508 CB ILE A 31 27.955 -53.458 -10.745 1.00 2.54 C ATOM 509 CG1 ILE A 31 29.043 -52.459 -10.343 1.00 54.20 C ATOM 510 CG2 ILE A 31 27.314 -53.050 -12.063 1.00 4.43 C ATOM 511 CD1 ILE A 31 30.143 -52.318 -11.371 1.00 64.40 C ATOM 0 H ILE A 31 27.242 -51.678 -8.787 1.00 40.52 H new ATOM 0 HA ILE A 31 25.997 -54.036 -10.048 1.00 21.22 H new ATOM 0 HB ILE A 31 28.417 -54.437 -10.876 1.00 2.54 H new ATOM 0 HG12 ILE A 31 28.586 -51.484 -10.176 1.00 54.20 H new ATOM 0 HG13 ILE A 31 29.481 -52.772 -9.395 1.00 54.20 H new ATOM 0 HG21 ILE A 31 28.081 -52.982 -12.835 1.00 4.43 H new ATOM 0 HG22 ILE A 31 26.572 -53.794 -12.353 1.00 4.43 H new ATOM 0 HG23 ILE A 31 26.829 -52.081 -11.947 1.00 4.43 H new ATOM 0 HD11 ILE A 31 30.879 -51.594 -11.020 1.00 64.40 H new ATOM 0 HD12 ILE A 31 30.627 -53.283 -11.521 1.00 64.40 H new ATOM 0 HD13 ILE A 31 29.718 -51.975 -12.314 1.00 64.40 H new ATOM 523 N LEU A 32 28.185 -53.774 -7.602 1.00 23.40 N ATOM 524 CA LEU A 32 28.768 -54.471 -6.460 1.00 41.41 C ATOM 525 C LEU A 32 29.300 -53.478 -5.431 1.00 34.43 C ATOM 526 O LEU A 32 29.578 -52.319 -5.736 1.00 53.41 O ATOM 527 CB LEU A 32 29.895 -55.396 -6.923 1.00 11.14 C ATOM 528 CG LEU A 32 30.761 -54.877 -8.071 1.00 53.12 C ATOM 529 CD1 LEU A 32 32.230 -55.170 -7.807 1.00 15.51 C ATOM 530 CD2 LEU A 32 30.321 -55.494 -9.391 1.00 43.31 C ATOM 0 H LEU A 32 28.403 -52.778 -7.645 1.00 23.40 H new ATOM 0 HA LEU A 32 27.986 -55.068 -5.992 1.00 41.41 H new ATOM 0 HB2 LEU A 32 30.542 -55.602 -6.071 1.00 11.14 H new ATOM 0 HB3 LEU A 32 29.456 -56.346 -7.227 1.00 11.14 H new ATOM 0 HG LEU A 32 30.634 -53.796 -8.137 1.00 53.12 H new ATOM 0 HD11 LEU A 32 32.831 -54.793 -8.635 1.00 15.51 H new ATOM 0 HD12 LEU A 32 32.538 -54.681 -6.883 1.00 15.51 H new ATOM 0 HD13 LEU A 32 32.375 -56.246 -7.714 1.00 15.51 H new ATOM 0 HD21 LEU A 32 30.948 -55.114 -10.197 1.00 43.31 H new ATOM 0 HD22 LEU A 32 30.418 -56.578 -9.336 1.00 43.31 H new ATOM 0 HD23 LEU A 32 29.281 -55.233 -9.586 1.00 43.31 H new ATOM 542 N PRO A 33 29.447 -53.943 -4.181 1.00 71.43 N ATOM 543 CA PRO A 33 29.949 -53.114 -3.082 1.00 11.11 C ATOM 544 C PRO A 33 31.429 -52.780 -3.237 1.00 13.23 C ATOM 545 O PRO A 33 31.827 -51.620 -3.130 1.00 64.15 O ATOM 546 CB PRO A 33 29.725 -53.989 -1.846 1.00 72.02 C ATOM 547 CG PRO A 33 29.727 -55.385 -2.365 1.00 65.43 C ATOM 548 CD PRO A 33 29.135 -55.315 -3.746 1.00 21.13 C ATOM 0 HA PRO A 33 29.443 -52.150 -3.036 1.00 11.11 H new ATOM 0 HB2 PRO A 33 30.513 -53.840 -1.107 1.00 72.02 H new ATOM 0 HB3 PRO A 33 28.781 -53.750 -1.357 1.00 72.02 H new ATOM 0 HG2 PRO A 33 30.739 -55.789 -2.394 1.00 65.43 H new ATOM 0 HG3 PRO A 33 29.141 -56.041 -1.722 1.00 65.43 H new ATOM 0 HD2 PRO A 33 29.576 -56.058 -4.411 1.00 21.13 H new ATOM 0 HD3 PRO A 33 28.061 -55.498 -3.733 1.00 21.13 H new ATOM 556 N SER A 34 32.238 -53.803 -3.489 1.00 25.32 N ATOM 557 CA SER A 34 33.675 -53.618 -3.655 1.00 63.31 C ATOM 558 C SER A 34 34.370 -54.954 -3.904 1.00 12.31 C ATOM 559 O SER A 34 34.983 -55.179 -4.948 1.00 11.34 O ATOM 560 CB SER A 34 34.271 -52.944 -2.418 1.00 14.33 C ATOM 561 OG SER A 34 34.577 -51.584 -2.676 1.00 21.44 O ATOM 0 H SER A 34 31.923 -54.769 -3.583 1.00 25.32 H new ATOM 0 HA SER A 34 33.835 -52.977 -4.522 1.00 63.31 H new ATOM 0 HB2 SER A 34 33.567 -53.011 -1.589 1.00 14.33 H new ATOM 0 HB3 SER A 34 35.174 -53.472 -2.112 1.00 14.33 H new ATOM 0 HG SER A 34 33.761 -51.109 -2.940 1.00 21.44 H new ATOM 567 N PRO A 35 34.272 -55.862 -2.922 1.00 64.30 N ATOM 568 CA PRO A 35 34.884 -57.192 -3.010 1.00 1.40 C ATOM 569 C PRO A 35 34.191 -58.082 -4.036 1.00 1.21 C ATOM 570 O PRO A 35 32.978 -57.993 -4.232 1.00 43.41 O ATOM 571 CB PRO A 35 34.703 -57.759 -1.600 1.00 70.41 C ATOM 572 CG PRO A 35 33.519 -57.041 -1.051 1.00 51.25 C ATOM 573 CD PRO A 35 33.557 -55.662 -1.651 1.00 21.05 C ATOM 0 HA PRO A 35 35.924 -57.142 -3.334 1.00 1.40 H new ATOM 0 HB2 PRO A 35 34.536 -58.836 -1.625 1.00 70.41 H new ATOM 0 HB3 PRO A 35 35.589 -57.588 -0.988 1.00 70.41 H new ATOM 0 HG2 PRO A 35 32.594 -57.555 -1.313 1.00 51.25 H new ATOM 0 HG3 PRO A 35 33.561 -56.995 0.037 1.00 51.25 H new ATOM 0 HD2 PRO A 35 32.554 -55.266 -1.812 1.00 21.05 H new ATOM 0 HD3 PRO A 35 34.078 -54.956 -1.004 1.00 21.05 H new ATOM 581 N LEU A 36 34.967 -58.940 -4.688 1.00 25.44 N ATOM 582 CA LEU A 36 34.428 -59.848 -5.694 1.00 32.31 C ATOM 583 C LEU A 36 35.503 -60.806 -6.196 1.00 24.32 C ATOM 584 O LEU A 36 36.572 -60.382 -6.637 1.00 13.12 O ATOM 585 CB LEU A 36 33.848 -59.055 -6.866 1.00 71.23 C ATOM 586 CG LEU A 36 32.703 -59.724 -7.628 1.00 12.31 C ATOM 587 CD1 LEU A 36 31.517 -59.964 -6.706 1.00 64.40 C ATOM 588 CD2 LEU A 36 32.289 -58.875 -8.821 1.00 70.13 C ATOM 0 H LEU A 36 35.972 -59.026 -4.538 1.00 25.44 H new ATOM 0 HA LEU A 36 33.634 -60.434 -5.231 1.00 32.31 H new ATOM 0 HB2 LEU A 36 33.495 -58.095 -6.490 1.00 71.23 H new ATOM 0 HB3 LEU A 36 34.653 -58.845 -7.570 1.00 71.23 H new ATOM 0 HG LEU A 36 33.052 -60.689 -7.997 1.00 12.31 H new ATOM 0 HD11 LEU A 36 30.712 -60.441 -7.265 1.00 64.40 H new ATOM 0 HD12 LEU A 36 31.821 -60.612 -5.884 1.00 64.40 H new ATOM 0 HD13 LEU A 36 31.167 -59.012 -6.307 1.00 64.40 H new ATOM 0 HD21 LEU A 36 31.473 -59.366 -9.352 1.00 70.13 H new ATOM 0 HD22 LEU A 36 31.959 -57.896 -8.474 1.00 70.13 H new ATOM 0 HD23 LEU A 36 33.138 -58.754 -9.493 1.00 70.13 H new ATOM 600 N LYS A 37 35.214 -62.101 -6.128 1.00 35.24 N ATOM 601 CA LYS A 37 36.153 -63.121 -6.578 1.00 4.11 C ATOM 602 C LYS A 37 35.453 -64.160 -7.448 1.00 3.01 C ATOM 603 O LYS A 37 35.227 -65.298 -7.037 1.00 33.13 O ATOM 604 CB LYS A 37 36.810 -63.805 -5.377 1.00 11.14 C ATOM 605 CG LYS A 37 38.062 -64.588 -5.732 1.00 2.43 C ATOM 606 CD LYS A 37 39.137 -63.685 -6.314 1.00 24.33 C ATOM 607 CE LYS A 37 40.453 -64.428 -6.490 1.00 1.03 C ATOM 608 NZ LYS A 37 40.382 -65.430 -7.589 1.00 35.11 N ATOM 0 H LYS A 37 34.335 -62.469 -5.765 1.00 35.24 H new ATOM 0 HA LYS A 37 36.922 -62.632 -7.175 1.00 4.11 H new ATOM 0 HB2 LYS A 37 37.063 -63.050 -4.633 1.00 11.14 H new ATOM 0 HB3 LYS A 37 36.089 -64.479 -4.914 1.00 11.14 H new ATOM 0 HG2 LYS A 37 38.446 -65.085 -4.841 1.00 2.43 H new ATOM 0 HG3 LYS A 37 37.813 -65.369 -6.451 1.00 2.43 H new ATOM 0 HD2 LYS A 37 38.805 -63.297 -7.277 1.00 24.33 H new ATOM 0 HD3 LYS A 37 39.287 -62.827 -5.659 1.00 24.33 H new ATOM 0 HE2 LYS A 37 41.248 -63.713 -6.701 1.00 1.03 H new ATOM 0 HE3 LYS A 37 40.714 -64.929 -5.558 1.00 1.03 H new ATOM 0 HZ1 LYS A 37 41.298 -65.915 -7.677 1.00 35.11 H new ATOM 0 HZ2 LYS A 37 39.641 -66.127 -7.376 1.00 35.11 H new ATOM 0 HZ3 LYS A 37 40.158 -64.949 -8.483 1.00 35.11 H new ATOM 622 N PRO A 38 35.103 -63.762 -8.680 1.00 62.31 N ATOM 623 CA PRO A 38 34.426 -64.645 -9.634 1.00 72.23 C ATOM 624 C PRO A 38 35.338 -65.755 -10.145 1.00 70.15 C ATOM 625 O PRO A 38 36.559 -65.601 -10.186 1.00 1.31 O ATOM 626 CB PRO A 38 34.039 -63.703 -10.777 1.00 15.35 C ATOM 627 CG PRO A 38 35.022 -62.587 -10.697 1.00 2.32 C ATOM 628 CD PRO A 38 35.342 -62.420 -9.237 1.00 21.20 C ATOM 0 HA PRO A 38 33.578 -65.159 -9.182 1.00 72.23 H new ATOM 0 HB2 PRO A 38 34.091 -64.208 -11.741 1.00 15.35 H new ATOM 0 HB3 PRO A 38 33.018 -63.340 -10.662 1.00 15.35 H new ATOM 0 HG2 PRO A 38 35.921 -62.817 -11.270 1.00 2.32 H new ATOM 0 HG3 PRO A 38 34.605 -61.669 -11.113 1.00 2.32 H new ATOM 0 HD2 PRO A 38 36.373 -62.100 -9.086 1.00 21.20 H new ATOM 0 HD3 PRO A 38 34.703 -61.671 -8.769 1.00 21.20 H new ATOM 636 N THR A 39 34.738 -66.875 -10.536 1.00 71.31 N ATOM 637 CA THR A 39 35.496 -68.011 -11.044 1.00 63.42 C ATOM 638 C THR A 39 35.787 -67.857 -12.533 1.00 33.23 C ATOM 639 O THR A 39 36.766 -68.401 -13.045 1.00 15.13 O ATOM 640 CB THR A 39 34.745 -69.336 -10.814 1.00 23.41 C ATOM 641 OG1 THR A 39 34.209 -69.371 -9.487 1.00 31.13 O ATOM 642 CG2 THR A 39 35.670 -70.526 -11.024 1.00 32.00 C ATOM 0 H THR A 39 33.729 -67.019 -10.510 1.00 71.31 H new ATOM 0 HA THR A 39 36.436 -68.034 -10.493 1.00 63.42 H new ATOM 0 HB THR A 39 33.931 -69.397 -11.536 1.00 23.41 H new ATOM 0 HG1 THR A 39 33.732 -70.216 -9.349 1.00 31.13 H new ATOM 0 HG21 THR A 39 35.117 -71.450 -10.856 1.00 32.00 H new ATOM 0 HG22 THR A 39 36.054 -70.513 -12.044 1.00 32.00 H new ATOM 0 HG23 THR A 39 36.502 -70.468 -10.322 1.00 32.00 H new ATOM 650 N LYS A 40 34.931 -67.112 -13.224 1.00 33.04 N ATOM 651 CA LYS A 40 35.096 -66.884 -14.654 1.00 53.32 C ATOM 652 C LYS A 40 36.501 -66.378 -14.966 1.00 33.10 C ATOM 653 O LYS A 40 37.045 -66.651 -16.036 1.00 3.31 O ATOM 654 CB LYS A 40 34.057 -65.877 -15.154 1.00 43.21 C ATOM 655 CG LYS A 40 34.346 -64.446 -14.734 1.00 44.14 C ATOM 656 CD LYS A 40 33.165 -63.533 -15.016 1.00 41.33 C ATOM 657 CE LYS A 40 33.580 -62.069 -15.021 1.00 25.52 C ATOM 658 NZ LYS A 40 34.189 -61.670 -16.320 1.00 11.42 N ATOM 0 H LYS A 40 34.115 -66.656 -12.816 1.00 33.04 H new ATOM 0 HA LYS A 40 34.949 -67.834 -15.167 1.00 53.32 H new ATOM 0 HB2 LYS A 40 34.011 -65.925 -16.242 1.00 43.21 H new ATOM 0 HB3 LYS A 40 33.075 -66.165 -14.780 1.00 43.21 H new ATOM 0 HG2 LYS A 40 34.582 -64.419 -13.670 1.00 44.14 H new ATOM 0 HG3 LYS A 40 35.225 -64.080 -15.265 1.00 44.14 H new ATOM 0 HD2 LYS A 40 32.726 -63.791 -15.980 1.00 41.33 H new ATOM 0 HD3 LYS A 40 32.394 -63.691 -14.262 1.00 41.33 H new ATOM 0 HE2 LYS A 40 32.710 -61.444 -14.821 1.00 25.52 H new ATOM 0 HE3 LYS A 40 34.293 -61.891 -14.216 1.00 25.52 H new ATOM 0 HZ1 LYS A 40 34.458 -60.666 -16.283 1.00 11.42 H new ATOM 0 HZ2 LYS A 40 35.034 -62.249 -16.500 1.00 11.42 H new ATOM 0 HZ3 LYS A 40 33.500 -61.816 -17.086 1.00 11.42 H new ATOM 672 N ARG A 41 37.082 -65.642 -14.025 1.00 23.24 N ATOM 673 CA ARG A 41 38.424 -65.099 -14.199 1.00 70.24 C ATOM 674 C ARG A 41 39.445 -66.219 -14.373 1.00 64.54 C ATOM 675 O ARG A 41 40.402 -66.088 -15.137 1.00 2.45 O ATOM 676 CB ARG A 41 38.805 -64.229 -13.000 1.00 42.25 C ATOM 677 CG ARG A 41 38.013 -62.935 -12.911 1.00 43.52 C ATOM 678 CD ARG A 41 38.369 -61.984 -14.044 1.00 22.40 C ATOM 679 NE ARG A 41 39.761 -61.547 -13.975 1.00 30.41 N ATOM 680 CZ ARG A 41 40.371 -60.879 -14.948 1.00 34.41 C ATOM 681 NH1 ARG A 41 39.714 -60.573 -16.058 1.00 42.13 N ATOM 682 NH2 ARG A 41 41.639 -60.516 -14.811 1.00 25.22 N ATOM 0 H ARG A 41 36.645 -65.408 -13.134 1.00 23.24 H new ATOM 0 HA ARG A 41 38.426 -64.485 -15.100 1.00 70.24 H new ATOM 0 HB2 ARG A 41 38.655 -64.801 -12.084 1.00 42.25 H new ATOM 0 HB3 ARG A 41 39.867 -63.992 -13.057 1.00 42.25 H new ATOM 0 HG2 ARG A 41 36.946 -63.157 -12.943 1.00 43.52 H new ATOM 0 HG3 ARG A 41 38.210 -62.452 -11.954 1.00 43.52 H new ATOM 0 HD2 ARG A 41 38.191 -62.476 -15.000 1.00 22.40 H new ATOM 0 HD3 ARG A 41 37.714 -61.114 -14.006 1.00 22.40 H new ATOM 0 HE ARG A 41 40.294 -61.767 -13.134 1.00 30.41 H new ATOM 0 HH11 ARG A 41 38.738 -60.850 -16.166 1.00 42.13 H new ATOM 0 HH12 ARG A 41 40.184 -60.060 -16.804 1.00 42.13 H new ATOM 0 HH21 ARG A 41 42.147 -60.750 -13.958 1.00 25.22 H new ATOM 0 HH22 ARG A 41 42.106 -60.003 -15.559 1.00 25.22 H new ATOM 696 N SER A 42 39.235 -67.321 -13.660 1.00 61.11 N ATOM 697 CA SER A 42 40.139 -68.463 -13.732 1.00 45.33 C ATOM 698 C SER A 42 40.126 -69.079 -15.128 1.00 20.12 C ATOM 699 O SER A 42 39.067 -69.259 -15.729 1.00 70.33 O ATOM 700 CB SER A 42 39.749 -69.516 -12.693 1.00 43.14 C ATOM 701 OG SER A 42 40.609 -70.641 -12.760 1.00 12.53 O ATOM 0 H SER A 42 38.446 -67.447 -13.026 1.00 61.11 H new ATOM 0 HA SER A 42 41.148 -68.110 -13.519 1.00 45.33 H new ATOM 0 HB2 SER A 42 39.792 -69.080 -11.695 1.00 43.14 H new ATOM 0 HB3 SER A 42 38.719 -69.831 -12.859 1.00 43.14 H new ATOM 0 HG SER A 42 40.340 -71.299 -12.085 1.00 12.53 H new ATOM 707 N PHE A 43 41.311 -69.401 -15.637 1.00 54.42 N ATOM 708 CA PHE A 43 41.437 -69.996 -16.962 1.00 52.03 C ATOM 709 C PHE A 43 41.089 -71.481 -16.927 1.00 34.23 C ATOM 710 O PHE A 43 40.564 -72.030 -17.896 1.00 42.14 O ATOM 711 CB PHE A 43 42.858 -69.807 -17.497 1.00 1.45 C ATOM 712 CG PHE A 43 43.100 -68.447 -18.087 1.00 62.14 C ATOM 713 CD1 PHE A 43 43.311 -67.349 -17.269 1.00 64.12 C ATOM 714 CD2 PHE A 43 43.116 -68.267 -19.461 1.00 71.11 C ATOM 715 CE1 PHE A 43 43.535 -66.097 -17.810 1.00 11.34 C ATOM 716 CE2 PHE A 43 43.339 -67.017 -20.007 1.00 62.33 C ATOM 717 CZ PHE A 43 43.548 -65.931 -19.181 1.00 13.54 C ATOM 0 H PHE A 43 42.197 -69.260 -15.152 1.00 54.42 H new ATOM 0 HA PHE A 43 40.736 -69.492 -17.627 1.00 52.03 H new ATOM 0 HB2 PHE A 43 43.568 -69.975 -16.687 1.00 1.45 H new ATOM 0 HB3 PHE A 43 43.056 -70.564 -18.256 1.00 1.45 H new ATOM 0 HD1 PHE A 43 43.300 -67.473 -16.196 1.00 64.12 H new ATOM 0 HD2 PHE A 43 42.952 -69.113 -20.112 1.00 71.11 H new ATOM 0 HE1 PHE A 43 43.700 -65.249 -17.161 1.00 11.34 H new ATOM 0 HE2 PHE A 43 43.350 -66.890 -21.079 1.00 62.33 H new ATOM 0 HZ PHE A 43 43.721 -64.953 -19.606 1.00 13.54 H new ATOM 727 N ILE A 44 41.384 -72.125 -15.803 1.00 25.22 N ATOM 728 CA ILE A 44 41.103 -73.546 -15.640 1.00 75.03 C ATOM 729 C ILE A 44 39.607 -73.826 -15.749 1.00 4.33 C ATOM 730 O ILE A 44 39.198 -74.921 -16.130 1.00 75.42 O ATOM 731 CB ILE A 44 41.614 -74.070 -14.286 1.00 24.24 C ATOM 732 CG1 ILE A 44 43.082 -73.685 -14.086 1.00 54.43 C ATOM 733 CG2 ILE A 44 41.442 -75.579 -14.202 1.00 73.41 C ATOM 734 CD1 ILE A 44 43.995 -74.197 -15.178 1.00 54.12 C ATOM 0 H ILE A 44 41.818 -71.685 -14.991 1.00 25.22 H new ATOM 0 HA ILE A 44 41.628 -74.065 -16.442 1.00 75.03 H new ATOM 0 HB ILE A 44 41.025 -73.612 -13.491 1.00 24.24 H new ATOM 0 HG12 ILE A 44 43.161 -72.599 -14.037 1.00 54.43 H new ATOM 0 HG13 ILE A 44 43.424 -74.073 -13.126 1.00 54.43 H new ATOM 0 HG21 ILE A 44 41.808 -75.934 -13.239 1.00 73.41 H new ATOM 0 HG22 ILE A 44 40.387 -75.831 -14.304 1.00 73.41 H new ATOM 0 HG23 ILE A 44 42.008 -76.055 -15.003 1.00 73.41 H new ATOM 0 HD11 ILE A 44 45.019 -73.887 -14.971 1.00 54.12 H new ATOM 0 HD12 ILE A 44 43.946 -75.285 -15.213 1.00 54.12 H new ATOM 0 HD13 ILE A 44 43.679 -73.788 -16.138 1.00 54.12 H new ATOM 746 N GLU A 45 38.798 -72.826 -15.412 1.00 71.41 N ATOM 747 CA GLU A 45 37.348 -72.965 -15.473 1.00 33.30 C ATOM 748 C GLU A 45 36.849 -72.839 -16.910 1.00 32.34 C ATOM 749 O GLU A 45 35.800 -73.379 -17.263 1.00 43.35 O ATOM 750 CB GLU A 45 36.675 -71.910 -14.593 1.00 54.43 C ATOM 751 CG GLU A 45 35.249 -72.262 -14.203 1.00 52.53 C ATOM 752 CD GLU A 45 35.185 -73.298 -13.098 1.00 2.41 C ATOM 753 OE1 GLU A 45 36.158 -74.067 -12.950 1.00 72.35 O ATOM 754 OE2 GLU A 45 34.164 -73.339 -12.381 1.00 72.30 O ATOM 0 H GLU A 45 39.122 -71.912 -15.094 1.00 71.41 H new ATOM 0 HA GLU A 45 37.088 -73.956 -15.102 1.00 33.30 H new ATOM 0 HB2 GLU A 45 37.267 -71.773 -13.688 1.00 54.43 H new ATOM 0 HB3 GLU A 45 36.673 -70.956 -15.121 1.00 54.43 H new ATOM 0 HG2 GLU A 45 34.731 -71.359 -13.880 1.00 52.53 H new ATOM 0 HG3 GLU A 45 34.719 -72.637 -15.079 1.00 52.53 H new ATOM 761 N ASP A 46 37.607 -72.123 -17.732 1.00 62.01 N ATOM 762 CA ASP A 46 37.244 -71.926 -19.130 1.00 54.35 C ATOM 763 C ASP A 46 36.976 -73.262 -19.816 1.00 50.11 C ATOM 764 O ASP A 46 36.179 -73.343 -20.752 1.00 64.01 O ATOM 765 CB ASP A 46 38.353 -71.174 -19.867 1.00 4.21 C ATOM 766 CG ASP A 46 37.962 -70.807 -21.285 1.00 32.01 C ATOM 767 OD1 ASP A 46 37.048 -69.972 -21.451 1.00 73.23 O ATOM 768 OD2 ASP A 46 38.570 -71.354 -22.228 1.00 70.12 O ATOM 0 H ASP A 46 38.477 -71.669 -17.454 1.00 62.01 H new ATOM 0 HA ASP A 46 36.331 -71.332 -19.161 1.00 54.35 H new ATOM 0 HB2 ASP A 46 38.601 -70.267 -19.316 1.00 4.21 H new ATOM 0 HB3 ASP A 46 39.252 -71.790 -19.889 1.00 4.21 H new ATOM 773 N LEU A 47 37.647 -74.307 -19.345 1.00 72.42 N ATOM 774 CA LEU A 47 37.482 -75.641 -19.913 1.00 44.14 C ATOM 775 C LEU A 47 36.043 -76.123 -19.763 1.00 23.53 C ATOM 776 O LEU A 47 35.486 -76.741 -20.671 1.00 31.21 O ATOM 777 CB LEU A 47 38.436 -76.626 -19.236 1.00 64.42 C ATOM 778 CG LEU A 47 38.875 -77.824 -20.080 1.00 53.11 C ATOM 779 CD1 LEU A 47 37.676 -78.685 -20.448 1.00 42.32 C ATOM 780 CD2 LEU A 47 39.602 -77.356 -21.332 1.00 65.30 C ATOM 0 H LEU A 47 38.310 -74.257 -18.572 1.00 72.42 H new ATOM 0 HA LEU A 47 37.718 -75.588 -20.976 1.00 44.14 H new ATOM 0 HB2 LEU A 47 39.327 -76.081 -18.923 1.00 64.42 H new ATOM 0 HB3 LEU A 47 37.958 -77.000 -18.331 1.00 64.42 H new ATOM 0 HG LEU A 47 39.563 -78.428 -19.489 1.00 53.11 H new ATOM 0 HD11 LEU A 47 38.007 -79.532 -21.048 1.00 42.32 H new ATOM 0 HD12 LEU A 47 37.197 -79.049 -19.539 1.00 42.32 H new ATOM 0 HD13 LEU A 47 36.964 -78.091 -21.021 1.00 42.32 H new ATOM 0 HD21 LEU A 47 39.907 -78.221 -21.920 1.00 65.30 H new ATOM 0 HD22 LEU A 47 38.937 -76.729 -21.926 1.00 65.30 H new ATOM 0 HD23 LEU A 47 40.484 -76.782 -21.048 1.00 65.30 H new ATOM 792 N LEU A 48 35.446 -75.836 -18.611 1.00 61.14 N ATOM 793 CA LEU A 48 34.070 -76.239 -18.342 1.00 1.41 C ATOM 794 C LEU A 48 33.083 -75.266 -18.979 1.00 43.43 C ATOM 795 O LEU A 48 31.950 -75.631 -19.293 1.00 42.30 O ATOM 796 CB LEU A 48 33.826 -76.315 -16.834 1.00 23.13 C ATOM 797 CG LEU A 48 32.687 -77.230 -16.383 1.00 70.15 C ATOM 798 CD1 LEU A 48 33.198 -78.643 -16.150 1.00 73.55 C ATOM 799 CD2 LEU A 48 32.030 -76.684 -15.124 1.00 43.10 C ATOM 0 H LEU A 48 35.893 -75.326 -17.849 1.00 61.14 H new ATOM 0 HA LEU A 48 33.914 -77.225 -18.780 1.00 1.41 H new ATOM 0 HB2 LEU A 48 34.746 -76.650 -16.354 1.00 23.13 H new ATOM 0 HB3 LEU A 48 33.623 -75.309 -16.468 1.00 23.13 H new ATOM 0 HG LEU A 48 31.938 -77.262 -17.174 1.00 70.15 H new ATOM 0 HD11 LEU A 48 32.373 -79.280 -15.830 1.00 73.55 H new ATOM 0 HD12 LEU A 48 33.620 -79.034 -17.075 1.00 73.55 H new ATOM 0 HD13 LEU A 48 33.967 -78.629 -15.378 1.00 73.55 H new ATOM 0 HD21 LEU A 48 31.222 -77.348 -14.818 1.00 43.10 H new ATOM 0 HD22 LEU A 48 32.770 -76.621 -14.326 1.00 43.10 H new ATOM 0 HD23 LEU A 48 31.627 -75.691 -15.325 1.00 43.10 H new ATOM 811 N PHE A 49 33.522 -74.026 -19.170 1.00 3.10 N ATOM 812 CA PHE A 49 32.678 -73.000 -19.771 1.00 62.15 C ATOM 813 C PHE A 49 32.235 -73.413 -21.172 1.00 34.12 C ATOM 814 O PHE A 49 31.187 -72.985 -21.654 1.00 0.20 O ATOM 815 CB PHE A 49 33.426 -71.666 -19.834 1.00 33.44 C ATOM 816 CG PHE A 49 33.154 -70.771 -18.658 1.00 73.55 C ATOM 817 CD1 PHE A 49 32.684 -69.482 -18.847 1.00 42.41 C ATOM 818 CD2 PHE A 49 33.368 -71.220 -17.365 1.00 40.11 C ATOM 819 CE1 PHE A 49 32.432 -68.656 -17.768 1.00 5.52 C ATOM 820 CE2 PHE A 49 33.118 -70.399 -16.282 1.00 53.41 C ATOM 821 CZ PHE A 49 32.651 -69.115 -16.484 1.00 14.53 C ATOM 0 H PHE A 49 34.457 -73.708 -18.917 1.00 3.10 H new ATOM 0 HA PHE A 49 31.792 -72.883 -19.147 1.00 62.15 H new ATOM 0 HB2 PHE A 49 34.497 -71.861 -19.892 1.00 33.44 H new ATOM 0 HB3 PHE A 49 33.147 -71.145 -20.750 1.00 33.44 H new ATOM 0 HD1 PHE A 49 32.512 -69.118 -19.849 1.00 42.41 H new ATOM 0 HD2 PHE A 49 33.734 -72.223 -17.202 1.00 40.11 H new ATOM 0 HE1 PHE A 49 32.064 -67.653 -17.929 1.00 5.52 H new ATOM 0 HE2 PHE A 49 33.288 -70.761 -15.279 1.00 53.41 H new ATOM 0 HZ PHE A 49 32.457 -68.471 -15.639 1.00 14.53 H new ATOM 831 N ASN A 50 33.041 -74.248 -21.819 1.00 50.03 N ATOM 832 CA ASN A 50 32.733 -74.719 -23.165 1.00 0.41 C ATOM 833 C ASN A 50 31.933 -76.017 -23.117 1.00 64.04 C ATOM 834 O ASN A 50 31.620 -76.605 -24.153 1.00 3.02 O ATOM 835 CB ASN A 50 34.022 -74.929 -23.961 1.00 62.35 C ATOM 836 CG ASN A 50 33.837 -74.663 -25.443 1.00 35.31 C ATOM 837 OD1 ASN A 50 34.004 -73.536 -25.908 1.00 44.12 O ATOM 838 ND2 ASN A 50 33.488 -75.703 -26.191 1.00 71.25 N ATOM 0 H ASN A 50 33.912 -74.613 -21.434 1.00 50.03 H new ATOM 0 HA ASN A 50 32.128 -73.959 -23.660 1.00 0.41 H new ATOM 0 HB2 ASN A 50 34.798 -74.271 -23.571 1.00 62.35 H new ATOM 0 HB3 ASN A 50 34.371 -75.952 -23.819 1.00 62.35 H new ATOM 0 HD21 ASN A 50 33.347 -75.585 -27.194 1.00 71.25 H new ATOM 0 HD22 ASN A 50 33.361 -76.620 -25.762 1.00 71.25 H new ATOM 845 N LYS A 51 31.605 -76.459 -21.908 1.00 70.22 N ATOM 846 CA LYS A 51 30.840 -77.687 -21.724 1.00 1.35 C ATOM 847 C LYS A 51 29.634 -77.446 -20.822 1.00 14.40 C ATOM 848 O LYS A 51 29.271 -78.299 -20.012 1.00 2.54 O ATOM 849 CB LYS A 51 31.728 -78.780 -21.124 1.00 12.30 C ATOM 850 CG LYS A 51 32.652 -79.435 -22.135 1.00 64.12 C ATOM 851 CD LYS A 51 32.896 -80.897 -21.802 1.00 63.41 C ATOM 852 CE LYS A 51 33.771 -81.049 -20.567 1.00 70.41 C ATOM 853 NZ LYS A 51 33.838 -82.464 -20.106 1.00 3.32 N ATOM 0 H LYS A 51 31.857 -75.985 -21.041 1.00 70.22 H new ATOM 0 HA LYS A 51 30.482 -78.013 -22.701 1.00 1.35 H new ATOM 0 HB2 LYS A 51 32.327 -78.350 -20.322 1.00 12.30 H new ATOM 0 HB3 LYS A 51 31.095 -79.545 -20.674 1.00 12.30 H new ATOM 0 HG2 LYS A 51 32.217 -79.356 -23.131 1.00 64.12 H new ATOM 0 HG3 LYS A 51 33.603 -78.903 -22.159 1.00 64.12 H new ATOM 0 HD2 LYS A 51 31.942 -81.398 -21.637 1.00 63.41 H new ATOM 0 HD3 LYS A 51 33.372 -81.390 -22.650 1.00 63.41 H new ATOM 0 HE2 LYS A 51 34.777 -80.691 -20.788 1.00 70.41 H new ATOM 0 HE3 LYS A 51 33.379 -80.424 -19.765 1.00 70.41 H new ATOM 0 HZ1 LYS A 51 34.443 -82.526 -19.263 1.00 3.32 H new ATOM 0 HZ2 LYS A 51 32.882 -82.798 -19.871 1.00 3.32 H new ATOM 0 HZ3 LYS A 51 34.236 -83.057 -20.862 1.00 3.32 H new ATOM 867 N VAL A 52 29.014 -76.279 -20.969 1.00 41.34 N ATOM 868 CA VAL A 52 27.847 -75.927 -20.170 1.00 55.33 C ATOM 869 C VAL A 52 26.556 -76.316 -20.882 1.00 72.00 C ATOM 870 O VAL A 52 26.172 -75.701 -21.878 1.00 22.13 O ATOM 871 CB VAL A 52 27.813 -74.419 -19.859 1.00 44.40 C ATOM 872 CG1 VAL A 52 26.665 -74.093 -18.916 1.00 51.24 C ATOM 873 CG2 VAL A 52 29.142 -73.967 -19.270 1.00 75.24 C ATOM 0 H VAL A 52 29.301 -75.561 -21.635 1.00 41.34 H new ATOM 0 HA VAL A 52 27.925 -76.482 -19.235 1.00 55.33 H new ATOM 0 HB VAL A 52 27.651 -73.877 -20.791 1.00 44.40 H new ATOM 0 HG11 VAL A 52 26.658 -73.023 -18.708 1.00 51.24 H new ATOM 0 HG12 VAL A 52 25.721 -74.379 -19.380 1.00 51.24 H new ATOM 0 HG13 VAL A 52 26.793 -74.643 -17.984 1.00 51.24 H new ATOM 0 HG21 VAL A 52 29.101 -72.899 -19.056 1.00 75.24 H new ATOM 0 HG22 VAL A 52 29.336 -74.515 -18.348 1.00 75.24 H new ATOM 0 HG23 VAL A 52 29.942 -74.163 -19.984 1.00 75.24 H new ATOM 883 N THR A 53 25.887 -77.342 -20.365 1.00 24.33 N ATOM 884 CA THR A 53 24.639 -77.815 -20.951 1.00 5.05 C ATOM 885 C THR A 53 23.474 -76.913 -20.563 1.00 54.50 C ATOM 886 O THR A 53 22.477 -76.825 -21.282 1.00 2.01 O ATOM 887 CB THR A 53 24.324 -79.258 -20.513 1.00 5.11 C ATOM 888 OG1 THR A 53 25.540 -79.996 -20.346 1.00 3.42 O ATOM 889 CG2 THR A 53 23.440 -79.953 -21.537 1.00 21.11 C ATOM 0 H THR A 53 26.189 -77.862 -19.541 1.00 24.33 H new ATOM 0 HA THR A 53 24.769 -77.792 -22.033 1.00 5.05 H new ATOM 0 HB THR A 53 23.791 -79.218 -19.563 1.00 5.11 H new ATOM 0 HG1 THR A 53 25.331 -80.912 -20.066 1.00 3.42 H new ATOM 0 HG21 THR A 53 23.231 -80.970 -21.206 1.00 21.11 H new ATOM 0 HG22 THR A 53 22.503 -79.405 -21.640 1.00 21.11 H new ATOM 0 HG23 THR A 53 23.951 -79.982 -22.499 1.00 21.11 H new ATOM 897 N LEU A 54 23.604 -76.242 -19.424 1.00 31.35 N ATOM 898 CA LEU A 54 22.560 -75.345 -18.940 1.00 44.44 C ATOM 899 C LEU A 54 22.757 -73.936 -19.491 1.00 14.44 C ATOM 900 O LEU A 54 22.019 -73.014 -19.142 1.00 73.35 O ATOM 901 CB LEU A 54 22.557 -75.311 -17.411 1.00 72.20 C ATOM 902 CG LEU A 54 23.786 -74.687 -16.750 1.00 43.14 C ATOM 903 CD1 LEU A 54 23.389 -73.923 -15.497 1.00 32.33 C ATOM 904 CD2 LEU A 54 24.816 -75.758 -16.421 1.00 2.42 C ATOM 0 H LEU A 54 24.422 -76.302 -18.818 1.00 31.35 H new ATOM 0 HA LEU A 54 21.599 -75.722 -19.290 1.00 44.44 H new ATOM 0 HB2 LEU A 54 21.675 -74.762 -17.082 1.00 72.20 H new ATOM 0 HB3 LEU A 54 22.452 -76.332 -17.045 1.00 72.20 H new ATOM 0 HG LEU A 54 24.234 -73.984 -17.452 1.00 43.14 H new ATOM 0 HD11 LEU A 54 24.277 -73.486 -15.041 1.00 32.33 H new ATOM 0 HD12 LEU A 54 22.689 -73.130 -15.761 1.00 32.33 H new ATOM 0 HD13 LEU A 54 22.916 -74.604 -14.790 1.00 32.33 H new ATOM 0 HD21 LEU A 54 25.684 -75.296 -15.951 1.00 2.42 H new ATOM 0 HD22 LEU A 54 24.378 -76.486 -15.738 1.00 2.42 H new ATOM 0 HD23 LEU A 54 25.124 -76.260 -17.338 1.00 2.42 H new ATOM 916 N ALA A 55 23.755 -73.776 -20.353 1.00 71.53 N ATOM 917 CA ALA A 55 24.045 -72.481 -20.955 1.00 62.12 C ATOM 918 C ALA A 55 22.797 -71.880 -21.593 1.00 43.00 C ATOM 919 O ALA A 55 22.652 -70.660 -21.666 1.00 45.43 O ATOM 920 CB ALA A 55 25.155 -72.615 -21.987 1.00 62.51 C ATOM 0 H ALA A 55 24.377 -74.528 -20.650 1.00 71.53 H new ATOM 0 HA ALA A 55 24.378 -71.808 -20.165 1.00 62.12 H new ATOM 0 HB1 ALA A 55 25.361 -71.640 -22.428 1.00 62.51 H new ATOM 0 HB2 ALA A 55 26.057 -72.993 -21.505 1.00 62.51 H new ATOM 0 HB3 ALA A 55 24.844 -73.308 -22.768 1.00 62.51 H new ATOM 926 N ASP A 56 21.900 -72.744 -22.054 1.00 15.13 N ATOM 927 CA ASP A 56 20.663 -72.298 -22.685 1.00 41.14 C ATOM 928 C ASP A 56 19.882 -71.372 -21.758 1.00 3.00 C ATOM 929 O ASP A 56 19.306 -70.378 -22.199 1.00 33.24 O ATOM 930 CB ASP A 56 19.800 -73.500 -23.071 1.00 71.11 C ATOM 931 CG ASP A 56 20.136 -74.036 -24.449 1.00 52.20 C ATOM 932 OD1 ASP A 56 20.467 -73.223 -25.337 1.00 44.25 O ATOM 933 OD2 ASP A 56 20.068 -75.268 -24.639 1.00 1.02 O ATOM 0 H ASP A 56 22.006 -73.757 -22.003 1.00 15.13 H new ATOM 0 HA ASP A 56 20.924 -71.743 -23.586 1.00 41.14 H new ATOM 0 HB2 ASP A 56 19.934 -74.292 -22.334 1.00 71.11 H new ATOM 0 HB3 ASP A 56 18.749 -73.213 -23.042 1.00 71.11 H new ATOM 938 N ALA A 57 19.868 -71.706 -20.472 1.00 32.13 N ATOM 939 CA ALA A 57 19.159 -70.904 -19.482 1.00 73.42 C ATOM 940 C ALA A 57 19.678 -69.471 -19.463 1.00 52.43 C ATOM 941 O ALA A 57 18.949 -68.541 -19.122 1.00 15.51 O ATOM 942 CB ALA A 57 19.288 -71.533 -18.103 1.00 3.13 C ATOM 0 H ALA A 57 20.339 -72.526 -20.091 1.00 32.13 H new ATOM 0 HA ALA A 57 18.105 -70.877 -19.759 1.00 73.42 H new ATOM 0 HB1 ALA A 57 18.754 -70.924 -17.374 1.00 3.13 H new ATOM 0 HB2 ALA A 57 18.862 -72.536 -18.119 1.00 3.13 H new ATOM 0 HB3 ALA A 57 20.341 -71.590 -17.826 1.00 3.13 H new ATOM 948 N GLY A 58 20.944 -69.299 -19.832 1.00 31.42 N ATOM 949 CA GLY A 58 21.539 -67.976 -19.849 1.00 51.21 C ATOM 950 C GLY A 58 20.714 -66.980 -20.640 1.00 1.45 C ATOM 951 O GLY A 58 20.720 -65.784 -20.344 1.00 63.41 O ATOM 0 H GLY A 58 21.568 -70.053 -20.119 1.00 31.42 H new ATOM 0 HA2 GLY A 58 21.652 -67.618 -18.826 1.00 51.21 H new ATOM 0 HA3 GLY A 58 22.539 -68.036 -20.278 1.00 51.21 H new ATOM 955 N PHE A 59 20.003 -67.471 -21.649 1.00 20.22 N ATOM 956 CA PHE A 59 19.171 -66.615 -22.487 1.00 23.15 C ATOM 957 C PHE A 59 18.176 -65.827 -21.640 1.00 3.13 C ATOM 958 O PHE A 59 17.802 -64.706 -21.985 1.00 25.33 O ATOM 959 CB PHE A 59 18.423 -67.453 -23.525 1.00 32.42 C ATOM 960 CG PHE A 59 18.017 -66.675 -24.744 1.00 34.34 C ATOM 961 CD1 PHE A 59 18.693 -66.837 -25.942 1.00 51.50 C ATOM 962 CD2 PHE A 59 16.959 -65.782 -24.691 1.00 34.14 C ATOM 963 CE1 PHE A 59 18.321 -66.122 -27.066 1.00 24.34 C ATOM 964 CE2 PHE A 59 16.582 -65.066 -25.811 1.00 3.51 C ATOM 965 CZ PHE A 59 17.265 -65.235 -27.000 1.00 3.15 C ATOM 0 H PHE A 59 19.986 -68.458 -21.907 1.00 20.22 H new ATOM 0 HA PHE A 59 19.823 -65.909 -23.002 1.00 23.15 H new ATOM 0 HB2 PHE A 59 19.055 -68.287 -23.830 1.00 32.42 H new ATOM 0 HB3 PHE A 59 17.533 -67.879 -23.063 1.00 32.42 H new ATOM 0 HD1 PHE A 59 19.520 -67.529 -25.999 1.00 51.50 H new ATOM 0 HD2 PHE A 59 16.423 -65.644 -23.764 1.00 34.14 H new ATOM 0 HE1 PHE A 59 18.856 -66.257 -27.994 1.00 24.34 H new ATOM 0 HE2 PHE A 59 15.754 -64.375 -25.757 1.00 3.51 H new ATOM 0 HZ PHE A 59 16.974 -64.674 -27.876 1.00 3.15 H new ATOM 975 N MET A 60 17.751 -66.422 -20.530 1.00 3.21 N ATOM 976 CA MET A 60 16.800 -65.776 -19.633 1.00 42.50 C ATOM 977 C MET A 60 17.483 -64.691 -18.806 1.00 42.33 C ATOM 978 O MET A 60 16.884 -63.661 -18.498 1.00 15.42 O ATOM 979 CB MET A 60 16.156 -66.809 -18.707 1.00 63.21 C ATOM 980 CG MET A 60 14.805 -66.377 -18.160 1.00 62.55 C ATOM 981 SD MET A 60 14.948 -65.378 -16.667 1.00 14.24 S ATOM 982 CE MET A 60 14.893 -66.647 -15.404 1.00 3.33 C ATOM 0 H MET A 60 18.050 -67.350 -20.230 1.00 3.21 H new ATOM 0 HA MET A 60 16.024 -65.311 -20.241 1.00 42.50 H new ATOM 0 HB2 MET A 60 16.036 -67.747 -19.250 1.00 63.21 H new ATOM 0 HB3 MET A 60 16.830 -67.007 -17.873 1.00 63.21 H new ATOM 0 HG2 MET A 60 14.273 -65.809 -18.923 1.00 62.55 H new ATOM 0 HG3 MET A 60 14.205 -67.261 -17.945 1.00 62.55 H new ATOM 0 HE1 MET A 60 14.971 -66.185 -14.420 1.00 3.33 H new ATOM 0 HE2 MET A 60 13.951 -67.191 -15.476 1.00 3.33 H new ATOM 0 HE3 MET A 60 15.723 -67.339 -15.547 1.00 3.33 H new ATOM 992 N LYS A 61 18.741 -64.929 -18.450 1.00 11.41 N ATOM 993 CA LYS A 61 19.507 -63.972 -17.660 1.00 33.04 C ATOM 994 C LYS A 61 19.660 -62.650 -18.404 1.00 53.25 C ATOM 995 O LYS A 61 19.717 -61.585 -17.790 1.00 45.13 O ATOM 996 CB LYS A 61 20.886 -64.544 -17.325 1.00 43.14 C ATOM 997 CG LYS A 61 21.762 -63.593 -16.528 1.00 31.12 C ATOM 998 CD LYS A 61 23.068 -64.251 -16.116 1.00 44.22 C ATOM 999 CE LYS A 61 22.869 -65.203 -14.947 1.00 11.11 C ATOM 1000 NZ LYS A 61 22.418 -64.488 -13.720 1.00 63.45 N ATOM 0 H LYS A 61 19.252 -65.777 -18.696 1.00 11.41 H new ATOM 0 HA LYS A 61 18.963 -63.786 -16.734 1.00 33.04 H new ATOM 0 HB2 LYS A 61 20.759 -65.468 -16.760 1.00 43.14 H new ATOM 0 HB3 LYS A 61 21.397 -64.805 -18.252 1.00 43.14 H new ATOM 0 HG2 LYS A 61 21.973 -62.705 -17.124 1.00 31.12 H new ATOM 0 HG3 LYS A 61 21.225 -63.260 -15.640 1.00 31.12 H new ATOM 0 HD2 LYS A 61 23.485 -64.796 -16.963 1.00 44.22 H new ATOM 0 HD3 LYS A 61 23.792 -63.484 -15.842 1.00 44.22 H new ATOM 0 HE2 LYS A 61 22.133 -65.961 -15.217 1.00 11.11 H new ATOM 0 HE3 LYS A 61 23.803 -65.725 -14.741 1.00 11.11 H new ATOM 0 HZ1 LYS A 61 22.630 -65.068 -12.883 1.00 63.45 H new ATOM 0 HZ2 LYS A 61 22.916 -63.578 -13.646 1.00 63.45 H new ATOM 0 HZ3 LYS A 61 21.393 -64.319 -13.774 1.00 63.45 H new ATOM 1014 N GLN A 62 19.723 -62.726 -19.730 1.00 20.32 N ATOM 1015 CA GLN A 62 19.868 -61.534 -20.557 1.00 63.52 C ATOM 1016 C GLN A 62 18.777 -60.517 -20.243 1.00 13.04 C ATOM 1017 O GLN A 62 19.039 -59.317 -20.153 1.00 64.42 O ATOM 1018 CB GLN A 62 19.822 -61.908 -22.040 1.00 34.32 C ATOM 1019 CG GLN A 62 20.473 -60.878 -22.948 1.00 2.12 C ATOM 1020 CD GLN A 62 21.918 -60.606 -22.579 1.00 64.04 C ATOM 1021 OE1 GLN A 62 22.307 -59.461 -22.348 1.00 43.23 O ATOM 1022 NE2 GLN A 62 22.723 -61.660 -22.522 1.00 65.54 N ATOM 0 H GLN A 62 19.676 -63.600 -20.254 1.00 20.32 H new ATOM 0 HA GLN A 62 20.835 -61.083 -20.333 1.00 63.52 H new ATOM 0 HB2 GLN A 62 20.318 -62.868 -22.179 1.00 34.32 H new ATOM 0 HB3 GLN A 62 18.783 -62.040 -22.341 1.00 34.32 H new ATOM 0 HG2 GLN A 62 20.425 -61.226 -23.980 1.00 2.12 H new ATOM 0 HG3 GLN A 62 19.908 -59.947 -22.899 1.00 2.12 H new ATOM 0 HE21 GLN A 62 22.358 -62.592 -22.721 1.00 65.54 H new ATOM 0 HE22 GLN A 62 23.706 -61.538 -22.279 1.00 65.54 H new ATOM 1031 N TYR A 63 17.552 -61.003 -20.076 1.00 71.42 N ATOM 1032 CA TYR A 63 16.419 -60.136 -19.774 1.00 45.13 C ATOM 1033 C TYR A 63 16.711 -59.263 -18.558 1.00 3.50 C ATOM 1034 O TYR A 63 16.343 -58.089 -18.519 1.00 64.22 O ATOM 1035 CB TYR A 63 15.162 -60.971 -19.527 1.00 22.14 C ATOM 1036 CG TYR A 63 14.382 -61.279 -20.785 1.00 22.13 C ATOM 1037 CD1 TYR A 63 13.027 -60.986 -20.874 1.00 51.35 C ATOM 1038 CD2 TYR A 63 15.000 -61.864 -21.883 1.00 72.21 C ATOM 1039 CE1 TYR A 63 12.310 -61.266 -22.022 1.00 11.14 C ATOM 1040 CE2 TYR A 63 14.291 -62.147 -23.035 1.00 1.53 C ATOM 1041 CZ TYR A 63 12.946 -61.846 -23.099 1.00 45.21 C ATOM 1042 OH TYR A 63 12.237 -62.127 -24.244 1.00 13.20 O ATOM 0 H TYR A 63 17.318 -61.993 -20.145 1.00 71.42 H new ATOM 0 HA TYR A 63 16.252 -59.487 -20.633 1.00 45.13 H new ATOM 0 HB2 TYR A 63 15.447 -61.908 -19.048 1.00 22.14 H new ATOM 0 HB3 TYR A 63 14.515 -60.440 -18.829 1.00 22.14 H new ATOM 0 HD1 TYR A 63 12.525 -60.532 -20.032 1.00 51.35 H new ATOM 0 HD2 TYR A 63 16.052 -62.102 -21.836 1.00 72.21 H new ATOM 0 HE1 TYR A 63 11.257 -61.032 -22.075 1.00 11.14 H new ATOM 0 HE2 TYR A 63 14.787 -62.601 -23.880 1.00 1.53 H new ATOM 0 HH TYR A 63 12.834 -62.533 -24.907 1.00 13.20 H new ATOM 1052 N GLY A 64 17.377 -59.845 -17.565 1.00 71.01 N ATOM 1053 CA GLY A 64 17.708 -59.107 -16.361 1.00 3.45 C ATOM 1054 C GLY A 64 16.524 -58.959 -15.426 1.00 74.44 C ATOM 1055 O GLY A 64 16.169 -57.848 -15.034 1.00 62.24 O ATOM 0 H GLY A 64 17.693 -60.815 -17.574 1.00 71.01 H new ATOM 0 HA2 GLY A 64 18.518 -59.616 -15.838 1.00 3.45 H new ATOM 0 HA3 GLY A 64 18.076 -58.118 -16.635 1.00 3.45 H new ATOM 1059 N GLU A 65 15.909 -60.083 -15.070 1.00 63.45 N ATOM 1060 CA GLU A 65 14.756 -60.073 -14.178 1.00 72.15 C ATOM 1061 C GLU A 65 14.744 -61.314 -13.291 1.00 33.15 C ATOM 1062 O GLU A 65 14.432 -62.413 -13.748 1.00 32.13 O ATOM 1063 CB GLU A 65 13.459 -59.998 -14.987 1.00 32.23 C ATOM 1064 CG GLU A 65 12.262 -59.532 -14.175 1.00 32.20 C ATOM 1065 CD GLU A 65 11.585 -60.666 -13.430 1.00 20.21 C ATOM 1066 OE1 GLU A 65 10.761 -61.373 -14.048 1.00 12.43 O ATOM 1067 OE2 GLU A 65 11.879 -60.847 -12.230 1.00 31.31 O ATOM 0 H GLU A 65 16.190 -61.011 -15.386 1.00 63.45 H new ATOM 0 HA GLU A 65 14.830 -59.192 -13.540 1.00 72.15 H new ATOM 0 HB2 GLU A 65 13.604 -59.319 -15.828 1.00 32.23 H new ATOM 0 HB3 GLU A 65 13.244 -60.982 -15.405 1.00 32.23 H new ATOM 0 HG2 GLU A 65 12.585 -58.775 -13.461 1.00 32.20 H new ATOM 0 HG3 GLU A 65 11.540 -59.057 -14.839 1.00 32.20 H new TER 1074 GLU A 65