USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 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 50 GLN : amide:sc= -0.459 K(o=-0.46,f=-5.9!) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot -86:sc= 1.96 USER MOD Set 2.2: A 71 THR OG1 : rot -81:sc= 0.502 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.015) USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000809 USER MOD Single : A 16 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.9!) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 0.0253 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.864 K(o=0.86,f=-0.047) USER MOD Single : A 21 LYS NZ :NH3+ -141:sc= -0.174 (180deg=-0.743) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 37 SER OG : rot -113:sc= 0.0656 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.00472) USER MOD Single : A 45 MET CE :methyl 165:sc= -0.0336 (180deg=-0.374) USER MOD Single : A 47 MET CE :methyl 148:sc= -5.04! (180deg=-6.82!) USER MOD Single : A 51 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.45) USER MOD Single : A 53 THR OG1 : rot -160:sc= -2.56! USER MOD Single : A 58 GLN :FLIP amide:sc= -2.25! C(o=-3.6!,f=-2.3!) USER MOD Single : A 60 MET CE :methyl -137:sc= 0 (180deg=-1.27) USER MOD Single : A 80 MET CE :methyl 171:sc= -2.34! (180deg=-2.46!) USER MOD Single : A 81 MET CE :methyl 148:sc= -0.681 (180deg=-3.3!) USER MOD Single : A 85 MET CE :methyl -115:sc= 0 (180deg=-0.0316) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.0372 (180deg=-0.291) USER MOD Single : A 89 SER OG : rot 9:sc= 0.935 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 68.704 20.928 3.495 1.00 4.98 N ATOM 2 CA ALA A 2 67.355 20.296 3.408 1.00 4.92 C ATOM 3 C ALA A 2 67.462 18.902 2.786 1.00 4.09 C ATOM 4 O ALA A 2 66.934 17.938 3.304 1.00 4.52 O ATOM 5 CB ALA A 2 66.539 21.224 2.508 1.00 5.75 C ATOM 0 HA ALA A 2 66.895 20.171 4.388 1.00 4.92 H new ATOM 0 HB1 ALA A 2 65.530 20.826 2.394 1.00 5.75 H new ATOM 0 HB2 ALA A 2 66.490 22.216 2.957 1.00 5.75 H new ATOM 0 HB3 ALA A 2 67.014 21.292 1.529 1.00 5.75 H new ATOM 13 N ASP A 3 68.143 18.786 1.679 1.00 3.31 N ATOM 14 CA ASP A 3 68.284 17.453 1.025 1.00 2.98 C ATOM 15 C ASP A 3 69.436 16.672 1.661 1.00 2.31 C ATOM 16 O ASP A 3 70.298 17.233 2.308 1.00 2.93 O ATOM 17 CB ASP A 3 68.589 17.760 -0.442 1.00 3.17 C ATOM 18 CG ASP A 3 67.286 17.765 -1.244 1.00 3.95 C ATOM 19 OD1 ASP A 3 66.491 18.667 -1.038 1.00 4.60 O ATOM 20 OD2 ASP A 3 67.106 16.869 -2.051 1.00 4.32 O ATOM 0 H ASP A 3 68.608 19.556 1.199 1.00 3.31 H new ATOM 0 HA ASP A 3 67.388 16.843 1.135 1.00 2.98 H new ATOM 0 HB2 ASP A 3 69.084 18.727 -0.527 1.00 3.17 H new ATOM 0 HB3 ASP A 3 69.274 17.015 -0.846 1.00 3.17 H new ATOM 25 N ILE A 4 69.458 15.380 1.481 1.00 1.43 N ATOM 26 CA ILE A 4 70.555 14.562 2.075 1.00 1.28 C ATOM 27 C ILE A 4 70.941 13.422 1.121 1.00 1.13 C ATOM 28 O ILE A 4 71.518 13.651 0.077 1.00 1.61 O ATOM 29 CB ILE A 4 69.983 14.020 3.389 1.00 1.66 C ATOM 30 CG1 ILE A 4 68.539 13.558 3.172 1.00 2.36 C ATOM 31 CG2 ILE A 4 70.007 15.121 4.450 1.00 1.86 C ATOM 32 CD1 ILE A 4 68.024 12.881 4.444 1.00 2.80 C ATOM 0 H ILE A 4 68.764 14.855 0.949 1.00 1.43 H new ATOM 0 HA ILE A 4 71.462 15.142 2.246 1.00 1.28 H new ATOM 0 HB ILE A 4 70.588 13.177 3.723 1.00 1.66 H new ATOM 0 HG12 ILE A 4 67.907 14.410 2.919 1.00 2.36 H new ATOM 0 HG13 ILE A 4 68.490 12.864 2.333 1.00 2.36 H new ATOM 0 HG21 ILE A 4 69.600 14.735 5.384 1.00 1.86 H new ATOM 0 HG22 ILE A 4 71.034 15.450 4.610 1.00 1.86 H new ATOM 0 HG23 ILE A 4 69.404 15.964 4.113 1.00 1.86 H new ATOM 0 HD11 ILE A 4 66.996 12.552 4.290 1.00 2.80 H new ATOM 0 HD12 ILE A 4 68.650 12.020 4.677 1.00 2.80 H new ATOM 0 HD13 ILE A 4 68.058 13.589 5.272 1.00 2.80 H new ATOM 44 N TYR A 5 70.633 12.197 1.463 1.00 0.88 N ATOM 45 CA TYR A 5 70.992 11.064 0.562 1.00 0.86 C ATOM 46 C TYR A 5 70.273 11.210 -0.782 1.00 0.78 C ATOM 47 O TYR A 5 70.791 10.841 -1.817 1.00 0.79 O ATOM 48 CB TYR A 5 70.514 9.808 1.293 1.00 1.02 C ATOM 49 CG TYR A 5 70.957 9.863 2.735 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.319 9.801 3.052 1.00 1.64 C ATOM 51 CD2 TYR A 5 70.005 9.977 3.755 1.00 1.94 C ATOM 52 CE1 TYR A 5 72.729 9.852 4.390 1.00 1.80 C ATOM 53 CE2 TYR A 5 70.415 10.029 5.093 1.00 2.20 C ATOM 54 CZ TYR A 5 71.778 9.965 5.410 1.00 1.77 C ATOM 55 OH TYR A 5 72.182 10.016 6.729 1.00 2.07 O ATOM 0 H TYR A 5 70.151 11.935 2.323 1.00 0.88 H new ATOM 0 HA TYR A 5 72.060 11.028 0.349 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.428 9.734 1.238 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.919 8.918 0.811 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.053 9.714 2.265 1.00 1.64 H new ATOM 0 HD2 TYR A 5 68.954 10.025 3.510 1.00 1.94 H new ATOM 0 HE1 TYR A 5 73.780 9.804 4.635 1.00 1.80 H new ATOM 0 HE2 TYR A 5 69.681 10.118 5.880 1.00 2.20 H new ATOM 0 HH TYR A 5 71.396 10.096 7.309 1.00 2.07 H new ATOM 65 N LYS A 6 69.082 11.746 -0.774 1.00 0.89 N ATOM 66 CA LYS A 6 68.336 11.915 -2.053 1.00 1.01 C ATOM 67 C LYS A 6 69.222 12.612 -3.089 1.00 0.98 C ATOM 68 O LYS A 6 69.350 12.166 -4.211 1.00 1.00 O ATOM 69 CB LYS A 6 67.133 12.790 -1.698 1.00 1.28 C ATOM 70 CG LYS A 6 65.894 11.909 -1.518 1.00 1.60 C ATOM 71 CD LYS A 6 66.076 11.013 -0.292 1.00 2.04 C ATOM 72 CE LYS A 6 65.230 11.550 0.864 1.00 2.60 C ATOM 73 NZ LYS A 6 65.203 10.448 1.867 1.00 3.24 N ATOM 0 H LYS A 6 68.595 12.073 0.061 1.00 0.89 H new ATOM 0 HA LYS A 6 68.031 10.962 -2.484 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.333 13.346 -0.782 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.959 13.524 -2.485 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.007 12.531 -1.398 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.737 11.298 -2.407 1.00 1.60 H new ATOM 0 HD2 LYS A 6 65.780 9.991 -0.529 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.127 10.982 -0.004 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.666 12.456 1.285 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.224 11.806 0.531 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.640 10.742 2.691 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.776 9.601 1.441 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.174 10.231 2.171 1.00 3.24 H new ATOM 87 N ALA A 7 69.838 13.702 -2.719 1.00 1.07 N ATOM 88 CA ALA A 7 70.718 14.424 -3.681 1.00 1.20 C ATOM 89 C ALA A 7 71.774 13.470 -4.243 1.00 1.08 C ATOM 90 O ALA A 7 72.301 13.672 -5.319 1.00 1.19 O ATOM 91 CB ALA A 7 71.377 15.534 -2.860 1.00 1.36 C ATOM 0 H ALA A 7 69.770 14.123 -1.793 1.00 1.07 H new ATOM 0 HA ALA A 7 70.165 14.823 -4.531 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.043 16.113 -3.500 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.608 16.189 -2.450 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.950 15.092 -2.045 1.00 1.36 H new ATOM 97 N ALA A 8 72.086 12.427 -3.522 1.00 0.95 N ATOM 98 CA ALA A 8 73.105 11.457 -4.014 1.00 0.96 C ATOM 99 C ALA A 8 72.470 10.498 -5.026 1.00 0.90 C ATOM 100 O ALA A 8 72.883 10.420 -6.166 1.00 1.01 O ATOM 101 CB ALA A 8 73.565 10.697 -2.769 1.00 0.98 C ATOM 0 H ALA A 8 71.679 12.205 -2.613 1.00 0.95 H new ATOM 0 HA ALA A 8 73.937 11.949 -4.518 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.319 9.961 -3.050 1.00 0.98 H new ATOM 0 HB2 ALA A 8 73.992 11.398 -2.052 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.713 10.189 -2.317 1.00 0.98 H new ATOM 107 N VAL A 9 71.467 9.768 -4.617 1.00 0.83 N ATOM 108 CA VAL A 9 70.805 8.817 -5.556 1.00 0.82 C ATOM 109 C VAL A 9 70.395 9.543 -6.841 1.00 0.97 C ATOM 110 O VAL A 9 70.183 8.934 -7.870 1.00 1.02 O ATOM 111 CB VAL A 9 69.571 8.312 -4.808 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.779 7.363 -5.708 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.011 7.567 -3.546 1.00 0.70 C ATOM 0 H VAL A 9 71.078 9.789 -3.674 1.00 0.83 H new ATOM 0 HA VAL A 9 71.465 8.000 -5.849 1.00 0.82 H new ATOM 0 HB VAL A 9 68.943 9.159 -4.532 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.900 7.004 -5.173 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.466 7.892 -6.608 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.406 6.516 -5.985 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.132 7.206 -3.011 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.640 6.721 -3.824 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.575 8.242 -2.903 1.00 0.70 H new ATOM 123 N GLU A 10 70.285 10.842 -6.788 1.00 1.12 N ATOM 124 CA GLU A 10 69.892 11.607 -8.007 1.00 1.32 C ATOM 125 C GLU A 10 71.026 11.576 -9.033 1.00 1.37 C ATOM 126 O GLU A 10 70.808 11.719 -10.220 1.00 1.56 O ATOM 127 CB GLU A 10 69.647 13.035 -7.519 1.00 1.51 C ATOM 128 CG GLU A 10 68.221 13.460 -7.873 1.00 1.80 C ATOM 129 CD GLU A 10 68.240 14.288 -9.159 1.00 2.02 C ATOM 130 OE1 GLU A 10 69.324 14.637 -9.601 1.00 2.28 O ATOM 131 OE2 GLU A 10 67.171 14.559 -9.681 1.00 2.61 O ATOM 0 H GLU A 10 70.450 11.407 -5.955 1.00 1.12 H new ATOM 0 HA GLU A 10 69.011 11.189 -8.493 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.798 13.093 -6.441 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.365 13.715 -7.978 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.590 12.581 -8.003 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.791 14.043 -7.059 1.00 1.80 H new ATOM 138 N GLN A 11 72.238 11.392 -8.584 1.00 1.29 N ATOM 139 CA GLN A 11 73.389 11.352 -9.531 1.00 1.45 C ATOM 140 C GLN A 11 73.844 9.906 -9.752 1.00 1.35 C ATOM 141 O GLN A 11 74.946 9.654 -10.197 1.00 1.53 O ATOM 142 CB GLN A 11 74.492 12.159 -8.845 1.00 1.61 C ATOM 143 CG GLN A 11 74.517 13.578 -9.417 1.00 2.13 C ATOM 144 CD GLN A 11 75.142 14.529 -8.395 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.117 15.194 -8.683 1.00 2.96 O ATOM 146 NE2 GLN A 11 74.618 14.623 -7.203 1.00 2.71 N ATOM 0 H GLN A 11 72.481 11.268 -7.601 1.00 1.29 H new ATOM 0 HA GLN A 11 73.132 11.758 -10.510 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.318 12.192 -7.770 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.458 11.677 -8.997 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.089 13.597 -10.345 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.505 13.902 -9.659 1.00 2.13 H new ATOM 0 HE21 GLN A 11 73.799 14.065 -6.960 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.027 15.254 -6.514 1.00 2.71 H new ATOM 155 N LEU A 12 73.004 8.957 -9.445 1.00 1.18 N ATOM 156 CA LEU A 12 73.390 7.529 -9.638 1.00 1.21 C ATOM 157 C LEU A 12 73.392 7.175 -11.127 1.00 1.11 C ATOM 158 O LEU A 12 72.654 7.739 -11.911 1.00 1.25 O ATOM 159 CB LEU A 12 72.317 6.728 -8.900 1.00 1.32 C ATOM 160 CG LEU A 12 72.839 6.320 -7.522 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.819 5.405 -6.841 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.166 5.572 -7.679 1.00 1.68 C ATOM 0 H LEU A 12 72.068 9.107 -9.069 1.00 1.18 H new ATOM 0 HA LEU A 12 74.391 7.318 -9.262 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.411 7.325 -8.795 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.050 5.842 -9.476 1.00 1.32 H new ATOM 0 HG LEU A 12 72.993 7.212 -6.914 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.190 5.114 -5.859 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.873 5.935 -6.729 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.666 4.514 -7.450 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.538 5.281 -6.697 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.011 4.681 -8.287 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.894 6.221 -8.165 1.00 1.68 H new ATOM 174 N THR A 13 74.216 6.244 -11.524 1.00 1.05 N ATOM 175 CA THR A 13 74.265 5.853 -12.961 1.00 1.13 C ATOM 176 C THR A 13 73.047 4.995 -13.315 1.00 0.94 C ATOM 177 O THR A 13 72.446 4.372 -12.462 1.00 0.87 O ATOM 178 CB THR A 13 75.554 5.044 -13.106 1.00 1.38 C ATOM 179 OG1 THR A 13 75.480 3.888 -12.283 1.00 1.89 O ATOM 180 CG2 THR A 13 76.747 5.902 -12.681 1.00 1.68 C ATOM 0 H THR A 13 74.858 5.737 -10.915 1.00 1.05 H new ATOM 0 HA THR A 13 74.249 6.716 -13.627 1.00 1.13 H new ATOM 0 HB THR A 13 75.680 4.742 -14.146 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.305 3.367 -12.376 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.666 5.325 -12.785 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.802 6.788 -13.314 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.625 6.206 -11.641 1.00 1.68 H new ATOM 188 N GLU A 14 72.678 4.960 -14.566 1.00 0.94 N ATOM 189 CA GLU A 14 71.499 4.145 -14.975 1.00 0.90 C ATOM 190 C GLU A 14 71.697 2.682 -14.567 1.00 0.82 C ATOM 191 O GLU A 14 70.749 1.933 -14.431 1.00 0.82 O ATOM 192 CB GLU A 14 71.438 4.272 -16.497 1.00 1.05 C ATOM 193 CG GLU A 14 70.530 5.444 -16.876 1.00 2.10 C ATOM 194 CD GLU A 14 71.101 6.156 -18.105 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.543 5.469 -19.011 1.00 2.91 O ATOM 196 OE2 GLU A 14 71.086 7.376 -18.118 1.00 3.31 O ATOM 0 H GLU A 14 73.142 5.461 -15.323 1.00 0.94 H new ATOM 0 HA GLU A 14 70.579 4.485 -14.500 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.439 4.429 -16.900 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.059 3.348 -16.935 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.523 5.084 -17.086 1.00 2.10 H new ATOM 0 HG3 GLU A 14 70.452 6.142 -16.042 1.00 2.10 H new ATOM 203 N GLU A 15 72.919 2.270 -14.371 1.00 0.92 N ATOM 204 CA GLU A 15 73.173 0.856 -13.974 1.00 1.01 C ATOM 205 C GLU A 15 72.780 0.638 -12.510 1.00 0.90 C ATOM 206 O GLU A 15 72.348 -0.431 -12.124 1.00 0.89 O ATOM 207 CB GLU A 15 74.676 0.656 -14.160 1.00 1.23 C ATOM 208 CG GLU A 15 74.923 -0.589 -15.013 1.00 1.92 C ATOM 209 CD GLU A 15 76.176 -1.310 -14.513 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.080 -1.992 -13.507 1.00 2.80 O ATOM 211 OE2 GLU A 15 77.209 -1.167 -15.145 1.00 2.90 O ATOM 0 H GLU A 15 73.752 2.850 -14.468 1.00 0.92 H new ATOM 0 HA GLU A 15 72.591 0.150 -14.567 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.113 1.531 -14.640 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.162 0.548 -13.190 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.062 -1.255 -14.961 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.045 -0.308 -16.059 1.00 1.92 H new ATOM 218 N GLN A 16 72.926 1.644 -11.692 1.00 0.89 N ATOM 219 CA GLN A 16 72.561 1.496 -10.254 1.00 0.87 C ATOM 220 C GLN A 16 71.039 1.476 -10.091 1.00 0.68 C ATOM 221 O GLN A 16 70.495 0.696 -9.337 1.00 0.67 O ATOM 222 CB GLN A 16 73.159 2.724 -9.567 1.00 0.97 C ATOM 223 CG GLN A 16 74.250 2.283 -8.589 1.00 1.77 C ATOM 224 CD GLN A 16 75.298 1.453 -9.333 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.080 0.292 -9.617 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.434 2.003 -9.664 1.00 2.61 N ATOM 0 H GLN A 16 73.282 2.562 -11.957 1.00 0.89 H new ATOM 0 HA GLN A 16 72.936 0.566 -9.827 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.576 3.403 -10.311 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.380 3.272 -9.036 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.718 3.155 -8.133 1.00 1.77 H new ATOM 0 HG3 GLN A 16 73.813 1.697 -7.781 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.617 2.978 -9.426 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.139 1.458 -10.161 1.00 2.61 H new ATOM 235 N LYS A 17 70.348 2.333 -10.794 1.00 0.63 N ATOM 236 CA LYS A 17 68.861 2.366 -10.680 1.00 0.62 C ATOM 237 C LYS A 17 68.247 1.147 -11.372 1.00 0.60 C ATOM 238 O LYS A 17 67.152 0.726 -11.053 1.00 0.66 O ATOM 239 CB LYS A 17 68.440 3.654 -11.388 1.00 0.74 C ATOM 240 CG LYS A 17 69.347 4.803 -10.945 1.00 1.21 C ATOM 241 CD LYS A 17 68.528 6.091 -10.850 1.00 1.31 C ATOM 242 CE LYS A 17 69.356 7.173 -10.152 1.00 1.43 C ATOM 243 NZ LYS A 17 68.689 8.456 -10.508 1.00 2.06 N ATOM 0 H LYS A 17 70.749 3.011 -11.442 1.00 0.63 H new ATOM 0 HA LYS A 17 68.526 2.341 -9.643 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.502 3.524 -12.468 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.401 3.887 -11.154 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.797 4.574 -9.979 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.164 4.930 -11.655 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.240 6.425 -11.847 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.607 5.909 -10.296 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.373 7.023 -9.073 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.392 7.159 -10.492 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.896 9.169 -9.780 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 69.043 8.788 -11.428 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.661 8.309 -10.566 1.00 2.06 H new ATOM 257 N ASN A 18 68.941 0.578 -12.319 1.00 0.70 N ATOM 258 CA ASN A 18 68.393 -0.612 -13.033 1.00 0.85 C ATOM 259 C ASN A 18 68.429 -1.842 -12.120 1.00 0.70 C ATOM 260 O ASN A 18 67.519 -2.647 -12.113 1.00 0.66 O ATOM 261 CB ASN A 18 69.316 -0.811 -14.235 1.00 1.11 C ATOM 262 CG ASN A 18 68.611 -0.331 -15.506 1.00 1.68 C ATOM 263 OD1 ASN A 18 68.067 -1.124 -16.249 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.599 0.943 -15.789 1.00 2.13 N ATOM 0 H ASN A 18 69.863 0.884 -12.630 1.00 0.70 H new ATOM 0 HA ASN A 18 67.355 -0.471 -13.334 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.244 -0.257 -14.090 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.584 -1.863 -14.331 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.133 1.273 -16.634 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.056 1.608 -15.165 1.00 2.13 H new ATOM 271 N GLU A 19 69.472 -1.992 -11.352 1.00 0.76 N ATOM 272 CA GLU A 19 69.565 -3.171 -10.443 1.00 0.79 C ATOM 273 C GLU A 19 68.800 -2.902 -9.143 1.00 0.65 C ATOM 274 O GLU A 19 68.343 -3.814 -8.481 1.00 0.66 O ATOM 275 CB GLU A 19 71.059 -3.337 -10.161 1.00 0.98 C ATOM 276 CG GLU A 19 71.722 -4.061 -11.336 1.00 1.21 C ATOM 277 CD GLU A 19 73.146 -3.534 -11.521 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.938 -3.692 -10.608 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.419 -2.981 -12.574 1.00 2.53 O ATOM 0 H GLU A 19 70.264 -1.350 -11.314 1.00 0.76 H new ATOM 0 HA GLU A 19 69.131 -4.067 -10.886 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.523 -2.362 -10.012 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.206 -3.903 -9.241 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.741 -5.135 -11.151 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.144 -3.905 -12.247 1.00 1.21 H new ATOM 286 N PHE A 20 68.656 -1.659 -8.771 1.00 0.67 N ATOM 287 CA PHE A 20 67.921 -1.338 -7.512 1.00 0.75 C ATOM 288 C PHE A 20 66.409 -1.370 -7.758 1.00 0.66 C ATOM 289 O PHE A 20 65.705 -2.214 -7.238 1.00 0.79 O ATOM 290 CB PHE A 20 68.374 0.076 -7.138 1.00 0.97 C ATOM 291 CG PHE A 20 69.871 0.100 -6.901 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.612 -1.091 -6.908 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.518 1.321 -6.672 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.993 -1.059 -6.687 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.900 1.352 -6.452 1.00 3.29 C ATOM 296 CZ PHE A 20 72.638 0.163 -6.460 1.00 3.69 C ATOM 0 H PHE A 20 69.014 -0.853 -9.283 1.00 0.67 H new ATOM 0 HA PHE A 20 68.128 -2.056 -6.719 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.113 0.772 -7.935 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.851 0.408 -6.241 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.116 -2.034 -7.084 1.00 2.35 H new ATOM 0 HD2 PHE A 20 69.950 2.240 -6.665 1.00 2.24 H new ATOM 0 HE1 PHE A 20 72.562 -1.977 -6.691 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.397 2.294 -6.276 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.704 0.188 -6.291 1.00 3.69 H new ATOM 306 N LYS A 21 65.904 -0.460 -8.545 1.00 0.60 N ATOM 307 CA LYS A 21 64.439 -0.440 -8.819 1.00 0.65 C ATOM 308 C LYS A 21 63.951 -1.844 -9.190 1.00 0.57 C ATOM 309 O LYS A 21 62.981 -2.338 -8.650 1.00 0.57 O ATOM 310 CB LYS A 21 64.269 0.514 -10.000 1.00 0.78 C ATOM 311 CG LYS A 21 64.456 1.956 -9.523 1.00 1.27 C ATOM 312 CD LYS A 21 65.249 2.741 -10.569 1.00 1.58 C ATOM 313 CE LYS A 21 64.973 4.237 -10.404 1.00 2.42 C ATOM 314 NZ LYS A 21 65.082 4.802 -11.778 1.00 2.88 N ATOM 0 H LYS A 21 66.442 0.271 -9.010 1.00 0.60 H new ATOM 0 HA LYS A 21 63.862 -0.121 -7.951 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.996 0.280 -10.778 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.280 0.391 -10.441 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.486 2.425 -9.360 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.981 1.969 -8.568 1.00 1.27 H new ATOM 0 HD2 LYS A 21 66.315 2.543 -10.457 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.969 2.417 -11.571 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.983 4.412 -9.983 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.693 4.699 -9.729 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 65.552 5.729 -11.736 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 65.639 4.158 -12.375 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 64.131 4.915 -12.184 1.00 2.88 H new ATOM 328 N ALA A 22 64.619 -2.489 -10.107 1.00 0.59 N ATOM 329 CA ALA A 22 64.196 -3.862 -10.510 1.00 0.62 C ATOM 330 C ALA A 22 64.298 -4.815 -9.318 1.00 0.50 C ATOM 331 O ALA A 22 63.360 -5.512 -8.984 1.00 0.50 O ATOM 332 CB ALA A 22 65.175 -4.271 -11.611 1.00 0.76 C ATOM 0 H ALA A 22 65.438 -2.126 -10.594 1.00 0.59 H new ATOM 0 HA ALA A 22 63.162 -3.893 -10.854 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.930 -5.273 -11.962 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.103 -3.568 -12.441 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.191 -4.263 -11.216 1.00 0.76 H new ATOM 338 N ALA A 23 65.431 -4.850 -8.672 1.00 0.50 N ATOM 339 CA ALA A 23 65.593 -5.758 -7.500 1.00 0.53 C ATOM 340 C ALA A 23 64.458 -5.531 -6.498 1.00 0.46 C ATOM 341 O ALA A 23 63.706 -6.430 -6.183 1.00 0.52 O ATOM 342 CB ALA A 23 66.938 -5.374 -6.884 1.00 0.64 C ATOM 0 H ALA A 23 66.251 -4.290 -8.904 1.00 0.50 H new ATOM 0 HA ALA A 23 65.562 -6.810 -7.783 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.131 -6.000 -6.013 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.730 -5.521 -7.619 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.914 -4.327 -6.581 1.00 0.64 H new ATOM 348 N PHE A 24 64.329 -4.333 -5.997 1.00 0.47 N ATOM 349 CA PHE A 24 63.242 -4.049 -5.017 1.00 0.57 C ATOM 350 C PHE A 24 61.926 -4.665 -5.498 1.00 0.48 C ATOM 351 O PHE A 24 61.224 -5.316 -4.751 1.00 0.51 O ATOM 352 CB PHE A 24 63.141 -2.523 -4.972 1.00 0.77 C ATOM 353 CG PHE A 24 61.836 -2.121 -4.325 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.642 -2.202 -5.050 1.00 1.54 C ATOM 355 CD2 PHE A 24 61.821 -1.669 -3.000 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.432 -1.832 -4.451 1.00 1.62 C ATOM 357 CE2 PHE A 24 60.612 -1.299 -2.400 1.00 1.72 C ATOM 358 CZ PHE A 24 59.417 -1.380 -3.127 1.00 1.25 C ATOM 0 H PHE A 24 64.928 -3.539 -6.223 1.00 0.47 H new ATOM 0 HA PHE A 24 63.447 -4.471 -4.033 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.979 -2.109 -4.411 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.200 -2.115 -5.981 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.654 -2.550 -6.072 1.00 1.54 H new ATOM 0 HD2 PHE A 24 62.743 -1.606 -2.441 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.511 -1.895 -5.011 1.00 1.62 H new ATOM 0 HE2 PHE A 24 60.600 -0.951 -1.378 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.484 -1.093 -2.665 1.00 1.25 H new ATOM 368 N ASP A 25 61.587 -4.466 -6.744 1.00 0.45 N ATOM 369 CA ASP A 25 60.317 -5.043 -7.272 1.00 0.53 C ATOM 370 C ASP A 25 60.370 -6.571 -7.216 1.00 0.52 C ATOM 371 O ASP A 25 59.360 -7.233 -7.082 1.00 0.60 O ATOM 372 CB ASP A 25 60.236 -4.564 -8.722 1.00 0.66 C ATOM 373 CG ASP A 25 58.844 -4.865 -9.281 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.918 -4.958 -8.492 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.728 -4.997 -10.488 1.00 1.52 O ATOM 0 H ASP A 25 62.134 -3.930 -7.418 1.00 0.45 H new ATOM 0 HA ASP A 25 59.449 -4.732 -6.691 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.437 -3.494 -8.775 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.997 -5.061 -9.324 1.00 0.66 H new ATOM 380 N ILE A 26 61.541 -7.135 -7.317 1.00 0.50 N ATOM 381 CA ILE A 26 61.662 -8.619 -7.270 1.00 0.63 C ATOM 382 C ILE A 26 61.610 -9.107 -5.821 1.00 0.70 C ATOM 383 O ILE A 26 61.290 -10.248 -5.550 1.00 0.94 O ATOM 384 CB ILE A 26 63.024 -8.924 -7.890 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.068 -8.368 -9.315 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.243 -10.437 -7.927 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.521 -8.102 -9.716 1.00 0.69 C ATOM 0 H ILE A 26 62.421 -6.632 -7.430 1.00 0.50 H new ATOM 0 HA ILE A 26 60.852 -9.117 -7.802 1.00 0.63 H new ATOM 0 HB ILE A 26 63.808 -8.460 -7.292 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.613 -9.076 -10.007 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.489 -7.447 -9.375 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.215 -10.653 -8.370 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.210 -10.834 -6.913 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.460 -10.903 -8.525 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.552 -7.706 -10.731 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.961 -7.378 -9.030 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.087 -9.033 -9.672 1.00 0.69 H new ATOM 399 N PHE A 27 61.923 -8.253 -4.886 1.00 0.61 N ATOM 400 CA PHE A 27 61.894 -8.669 -3.455 1.00 0.79 C ATOM 401 C PHE A 27 60.600 -8.192 -2.791 1.00 0.76 C ATOM 402 O PHE A 27 60.143 -8.764 -1.820 1.00 1.03 O ATOM 403 CB PHE A 27 63.108 -7.991 -2.822 1.00 0.91 C ATOM 404 CG PHE A 27 64.353 -8.771 -3.168 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.528 -10.068 -2.670 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.330 -8.198 -3.988 1.00 2.23 C ATOM 407 CE1 PHE A 27 65.682 -10.790 -2.992 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.484 -8.921 -4.312 1.00 3.07 C ATOM 409 CZ PHE A 27 66.660 -10.218 -3.814 1.00 3.21 C ATOM 0 H PHE A 27 62.198 -7.285 -5.051 1.00 0.61 H new ATOM 0 HA PHE A 27 61.927 -9.752 -3.338 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.195 -6.966 -3.183 1.00 0.91 H new ATOM 0 HB3 PHE A 27 62.987 -7.939 -1.740 1.00 0.91 H new ATOM 0 HD1 PHE A 27 63.773 -10.511 -2.038 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.194 -7.198 -4.371 1.00 2.23 H new ATOM 0 HE1 PHE A 27 65.818 -11.789 -2.606 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.238 -8.479 -4.946 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.550 -10.777 -4.064 1.00 3.21 H new ATOM 419 N VAL A 28 60.006 -7.150 -3.304 1.00 0.63 N ATOM 420 CA VAL A 28 58.744 -6.643 -2.701 1.00 0.65 C ATOM 421 C VAL A 28 57.548 -7.422 -3.262 1.00 0.65 C ATOM 422 O VAL A 28 56.415 -7.194 -2.887 1.00 0.74 O ATOM 423 CB VAL A 28 58.701 -5.159 -3.096 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.256 -4.698 -3.307 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.335 -4.330 -1.979 1.00 1.47 C ATOM 0 H VAL A 28 60.341 -6.629 -4.114 1.00 0.63 H new ATOM 0 HA VAL A 28 58.701 -6.766 -1.619 1.00 0.65 H new ATOM 0 HB VAL A 28 59.250 -5.025 -4.028 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.247 -3.644 -3.586 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.798 -5.288 -4.101 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.692 -4.833 -2.384 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.309 -3.275 -2.250 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.779 -4.481 -1.054 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.369 -4.643 -1.836 1.00 1.47 H new ATOM 435 N LEU A 29 57.793 -8.346 -4.150 1.00 0.92 N ATOM 436 CA LEU A 29 56.672 -9.143 -4.724 1.00 0.99 C ATOM 437 C LEU A 29 55.794 -9.687 -3.596 1.00 0.99 C ATOM 438 O LEU A 29 54.597 -9.837 -3.741 1.00 1.10 O ATOM 439 CB LEU A 29 57.348 -10.293 -5.467 1.00 1.43 C ATOM 440 CG LEU A 29 58.048 -9.758 -6.717 1.00 1.74 C ATOM 441 CD1 LEU A 29 58.493 -10.930 -7.595 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.079 -8.874 -7.505 1.00 2.45 C ATOM 0 H LEU A 29 58.720 -8.583 -4.503 1.00 0.92 H new ATOM 0 HA LEU A 29 56.032 -8.552 -5.379 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.071 -10.784 -4.816 1.00 1.43 H new ATOM 0 HB3 LEU A 29 56.608 -11.043 -5.746 1.00 1.43 H new ATOM 0 HG LEU A 29 58.919 -9.173 -6.422 1.00 1.74 H new ATOM 0 HD11 LEU A 29 58.992 -10.548 -8.486 1.00 2.11 H new ATOM 0 HD12 LEU A 29 59.183 -11.562 -7.036 1.00 2.11 H new ATOM 0 HD13 LEU A 29 57.622 -11.515 -7.890 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.577 -8.492 -8.396 1.00 2.45 H new ATOM 0 HD22 LEU A 29 56.209 -9.460 -7.799 1.00 2.45 H new ATOM 0 HD23 LEU A 29 56.760 -8.039 -6.882 1.00 2.45 H new ATOM 454 N GLY A 30 56.385 -9.978 -2.470 1.00 1.16 N ATOM 455 CA GLY A 30 55.595 -10.507 -1.323 1.00 1.58 C ATOM 456 C GLY A 30 55.865 -9.648 -0.088 1.00 1.39 C ATOM 457 O GLY A 30 55.481 -9.988 1.014 1.00 1.89 O ATOM 0 H GLY A 30 57.384 -9.872 -2.295 1.00 1.16 H new ATOM 0 HA2 GLY A 30 54.532 -10.496 -1.563 1.00 1.58 H new ATOM 0 HA3 GLY A 30 55.867 -11.544 -1.126 1.00 1.58 H new ATOM 461 N ALA A 31 56.528 -8.538 -0.265 1.00 0.90 N ATOM 462 CA ALA A 31 56.828 -7.651 0.896 1.00 0.95 C ATOM 463 C ALA A 31 55.599 -7.517 1.800 1.00 1.15 C ATOM 464 O ALA A 31 54.509 -7.919 1.447 1.00 1.41 O ATOM 465 CB ALA A 31 57.187 -6.299 0.277 1.00 0.97 C ATOM 0 H ALA A 31 56.876 -8.206 -1.165 1.00 0.90 H new ATOM 0 HA ALA A 31 57.633 -8.045 1.516 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.422 -5.587 1.068 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.053 -6.416 -0.375 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.342 -5.929 -0.304 1.00 0.97 H new ATOM 471 N GLU A 32 55.769 -6.954 2.966 1.00 1.35 N ATOM 472 CA GLU A 32 54.613 -6.795 3.895 1.00 1.90 C ATOM 473 C GLU A 32 53.683 -5.681 3.403 1.00 2.05 C ATOM 474 O GLU A 32 52.476 -5.818 3.415 1.00 2.79 O ATOM 475 CB GLU A 32 55.237 -6.418 5.238 1.00 2.37 C ATOM 476 CG GLU A 32 55.028 -7.558 6.237 1.00 2.44 C ATOM 477 CD GLU A 32 56.368 -7.931 6.875 1.00 2.83 C ATOM 478 OE1 GLU A 32 57.386 -7.689 6.248 1.00 3.24 O ATOM 479 OE2 GLU A 32 56.353 -8.451 7.977 1.00 3.29 O ATOM 0 H GLU A 32 56.658 -6.597 3.315 1.00 1.35 H new ATOM 0 HA GLU A 32 54.011 -7.701 3.963 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.302 -6.220 5.113 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.785 -5.501 5.616 1.00 2.37 H new ATOM 0 HG2 GLU A 32 54.318 -7.255 7.007 1.00 2.44 H new ATOM 0 HG3 GLU A 32 54.600 -8.424 5.732 1.00 2.44 H new ATOM 486 N ASP A 33 54.234 -4.579 2.974 1.00 1.80 N ATOM 487 CA ASP A 33 53.378 -3.459 2.485 1.00 2.11 C ATOM 488 C ASP A 33 54.041 -2.767 1.290 1.00 1.47 C ATOM 489 O ASP A 33 54.071 -1.555 1.202 1.00 1.80 O ATOM 490 CB ASP A 33 53.269 -2.498 3.669 1.00 3.12 C ATOM 491 CG ASP A 33 54.597 -1.763 3.856 1.00 3.68 C ATOM 492 OD1 ASP A 33 55.617 -2.429 3.928 1.00 4.12 O ATOM 493 OD2 ASP A 33 54.574 -0.545 3.926 1.00 4.09 O ATOM 0 H ASP A 33 55.238 -4.405 2.941 1.00 1.80 H new ATOM 0 HA ASP A 33 52.400 -3.804 2.148 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.466 -1.781 3.496 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.015 -3.048 4.575 1.00 3.12 H new ATOM 498 N GLY A 34 54.571 -3.526 0.371 1.00 1.10 N ATOM 499 CA GLY A 34 55.230 -2.909 -0.815 1.00 1.40 C ATOM 500 C GLY A 34 56.572 -2.307 -0.398 1.00 1.17 C ATOM 501 O GLY A 34 57.054 -1.365 -0.997 1.00 1.39 O ATOM 0 H GLY A 34 54.576 -4.546 0.390 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.382 -3.659 -1.591 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.589 -2.136 -1.239 1.00 1.40 H new ATOM 505 N SER A 35 57.183 -2.844 0.623 1.00 0.84 N ATOM 506 CA SER A 35 58.495 -2.300 1.075 1.00 0.70 C ATOM 507 C SER A 35 59.384 -3.429 1.602 1.00 0.67 C ATOM 508 O SER A 35 58.930 -4.528 1.849 1.00 0.80 O ATOM 509 CB SER A 35 58.154 -1.321 2.197 1.00 0.75 C ATOM 510 OG SER A 35 57.490 -0.190 1.648 1.00 1.04 O ATOM 0 H SER A 35 56.831 -3.635 1.163 1.00 0.84 H new ATOM 0 HA SER A 35 59.041 -1.817 0.265 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.518 -1.806 2.938 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.063 -1.009 2.712 1.00 0.75 H new ATOM 0 HG SER A 35 57.268 0.439 2.366 1.00 1.04 H new ATOM 516 N ILE A 36 60.650 -3.165 1.776 1.00 0.69 N ATOM 517 CA ILE A 36 61.572 -4.223 2.288 1.00 0.78 C ATOM 518 C ILE A 36 62.264 -3.739 3.564 1.00 0.71 C ATOM 519 O ILE A 36 63.159 -2.920 3.526 1.00 0.98 O ATOM 520 CB ILE A 36 62.608 -4.474 1.179 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.720 -3.257 0.247 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.185 -5.696 0.365 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.629 -3.600 -0.934 1.00 1.22 C ATOM 0 H ILE A 36 61.087 -2.263 1.586 1.00 0.69 H new ATOM 0 HA ILE A 36 61.032 -5.138 2.532 1.00 0.78 H new ATOM 0 HB ILE A 36 63.580 -4.646 1.642 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.732 -2.969 -0.113 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.122 -2.403 0.793 1.00 1.09 H new ATOM 0 HG21 ILE A 36 62.916 -5.879 -0.423 1.00 1.36 H new ATOM 0 HG22 ILE A 36 62.130 -6.567 1.018 1.00 1.36 H new ATOM 0 HG23 ILE A 36 61.207 -5.515 -0.082 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.708 -2.737 -1.595 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.619 -3.867 -0.565 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.208 -4.441 -1.485 1.00 1.22 H new ATOM 535 N SER A 37 61.852 -4.241 4.695 1.00 0.87 N ATOM 536 CA SER A 37 62.480 -3.809 5.975 1.00 0.87 C ATOM 537 C SER A 37 63.815 -4.527 6.183 1.00 0.76 C ATOM 538 O SER A 37 64.183 -5.411 5.434 1.00 0.87 O ATOM 539 CB SER A 37 61.478 -4.209 7.060 1.00 1.12 C ATOM 540 OG SER A 37 62.145 -4.949 8.074 1.00 1.52 O ATOM 0 H SER A 37 61.107 -4.932 4.788 1.00 0.87 H new ATOM 0 HA SER A 37 62.693 -2.740 5.990 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.016 -3.320 7.489 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.676 -4.807 6.627 1.00 1.12 H new ATOM 0 HG SER A 37 61.822 -5.874 8.070 1.00 1.52 H new ATOM 546 N THR A 38 64.542 -4.151 7.198 1.00 0.71 N ATOM 547 CA THR A 38 65.855 -4.805 7.464 1.00 0.65 C ATOM 548 C THR A 38 65.734 -6.325 7.311 1.00 0.70 C ATOM 549 O THR A 38 66.699 -7.008 7.034 1.00 1.37 O ATOM 550 CB THR A 38 66.210 -4.435 8.907 1.00 0.76 C ATOM 551 OG1 THR A 38 67.152 -5.369 9.416 1.00 1.55 O ATOM 552 CG2 THR A 38 64.950 -4.462 9.770 1.00 1.00 C ATOM 0 H THR A 38 64.283 -3.417 7.857 1.00 0.71 H new ATOM 0 HA THR A 38 66.623 -4.476 6.764 1.00 0.65 H new ATOM 0 HB THR A 38 66.640 -3.434 8.928 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.381 -5.132 10.339 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.206 -4.198 10.796 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.227 -3.745 9.381 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.517 -5.462 9.750 1.00 1.00 H new ATOM 560 N LYS A 39 64.555 -6.859 7.482 1.00 0.60 N ATOM 561 CA LYS A 39 64.379 -8.333 7.340 1.00 0.66 C ATOM 562 C LYS A 39 64.229 -8.699 5.863 1.00 0.64 C ATOM 563 O LYS A 39 64.574 -9.785 5.442 1.00 0.87 O ATOM 564 CB LYS A 39 63.097 -8.658 8.107 1.00 0.81 C ATOM 565 CG LYS A 39 63.013 -10.168 8.342 1.00 1.42 C ATOM 566 CD LYS A 39 64.270 -10.641 9.074 1.00 1.58 C ATOM 567 CE LYS A 39 63.869 -11.502 10.276 1.00 2.15 C ATOM 568 NZ LYS A 39 65.082 -12.304 10.595 1.00 2.80 N ATOM 0 H LYS A 39 63.708 -6.340 7.713 1.00 0.60 H new ATOM 0 HA LYS A 39 65.232 -8.892 7.725 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.087 -8.130 9.060 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.228 -8.318 7.545 1.00 0.81 H new ATOM 0 HG2 LYS A 39 62.126 -10.407 8.929 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.915 -10.690 7.390 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.903 -11.215 8.397 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.854 -9.783 9.407 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.570 -10.884 11.123 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.022 -12.145 10.036 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.886 -12.920 11.409 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 65.339 -12.887 9.773 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 65.870 -11.665 10.826 1.00 2.80 H new ATOM 582 N GLU A 40 63.715 -7.797 5.071 1.00 0.63 N ATOM 583 CA GLU A 40 63.540 -8.086 3.624 1.00 0.68 C ATOM 584 C GLU A 40 64.785 -7.645 2.850 1.00 0.66 C ATOM 585 O GLU A 40 65.112 -8.187 1.813 1.00 0.83 O ATOM 586 CB GLU A 40 62.331 -7.251 3.218 1.00 0.86 C ATOM 587 CG GLU A 40 61.239 -8.163 2.657 1.00 1.05 C ATOM 588 CD GLU A 40 61.789 -8.948 1.465 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.429 -8.337 0.623 1.00 2.32 O ATOM 590 OE2 GLU A 40 61.561 -10.144 1.413 1.00 1.92 O ATOM 0 H GLU A 40 63.409 -6.870 5.368 1.00 0.63 H new ATOM 0 HA GLU A 40 63.398 -9.147 3.416 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.952 -6.700 4.079 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.621 -6.513 2.470 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.893 -8.850 3.429 1.00 1.05 H new ATOM 0 HG3 GLU A 40 60.378 -7.570 2.349 1.00 1.05 H new ATOM 597 N LEU A 41 65.484 -6.662 3.353 1.00 0.73 N ATOM 598 CA LEU A 41 66.709 -6.179 2.654 1.00 0.80 C ATOM 599 C LEU A 41 67.796 -7.258 2.686 1.00 0.72 C ATOM 600 O LEU A 41 68.626 -7.345 1.803 1.00 0.81 O ATOM 601 CB LEU A 41 67.153 -4.950 3.447 1.00 1.10 C ATOM 602 CG LEU A 41 67.483 -3.810 2.482 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.428 -4.320 1.394 1.00 1.94 C ATOM 604 CD2 LEU A 41 66.193 -3.298 1.837 1.00 1.83 C ATOM 0 H LEU A 41 65.258 -6.173 4.219 1.00 0.73 H new ATOM 0 HA LEU A 41 66.524 -5.946 1.605 1.00 0.80 H new ATOM 0 HB2 LEU A 41 66.364 -4.643 4.133 1.00 1.10 H new ATOM 0 HB3 LEU A 41 68.026 -5.191 4.053 1.00 1.10 H new ATOM 0 HG LEU A 41 67.963 -2.999 3.029 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.663 -3.508 0.706 1.00 1.94 H new ATOM 0 HD12 LEU A 41 69.347 -4.685 1.852 1.00 1.94 H new ATOM 0 HD13 LEU A 41 67.948 -5.131 0.847 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.428 -2.486 1.149 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.713 -4.109 1.290 1.00 1.83 H new ATOM 0 HD23 LEU A 41 65.518 -2.934 2.612 1.00 1.83 H new ATOM 616 N GLY A 42 67.797 -8.079 3.699 1.00 0.72 N ATOM 617 CA GLY A 42 68.829 -9.151 3.793 1.00 0.91 C ATOM 618 C GLY A 42 68.996 -9.828 2.431 1.00 0.78 C ATOM 619 O GLY A 42 70.020 -9.711 1.790 1.00 0.84 O ATOM 0 H GLY A 42 67.127 -8.054 4.468 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.779 -8.727 4.118 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.536 -9.887 4.542 1.00 0.91 H new ATOM 623 N LYS A 43 67.997 -10.542 1.985 1.00 0.77 N ATOM 624 CA LYS A 43 68.101 -11.230 0.666 1.00 0.86 C ATOM 625 C LYS A 43 68.317 -10.208 -0.453 1.00 0.79 C ATOM 626 O LYS A 43 68.799 -10.535 -1.520 1.00 0.99 O ATOM 627 CB LYS A 43 66.764 -11.948 0.487 1.00 0.95 C ATOM 628 CG LYS A 43 66.989 -13.461 0.520 1.00 1.34 C ATOM 629 CD LYS A 43 65.864 -14.161 -0.244 1.00 2.13 C ATOM 630 CE LYS A 43 64.533 -13.922 0.473 1.00 2.65 C ATOM 631 NZ LYS A 43 64.456 -14.992 1.506 1.00 2.98 N ATOM 0 H LYS A 43 67.114 -10.678 2.477 1.00 0.77 H new ATOM 0 HA LYS A 43 68.943 -11.921 0.628 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.073 -11.655 1.278 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.307 -11.658 -0.459 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.953 -13.706 0.074 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.016 -13.813 1.551 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.813 -13.782 -1.265 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.066 -15.230 -0.311 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.501 -12.932 0.927 1.00 2.65 H new ATOM 0 HE3 LYS A 43 63.694 -13.982 -0.221 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.897 -14.654 2.315 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.002 -15.835 1.100 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 65.415 -15.236 1.826 1.00 2.98 H new ATOM 645 N VAL A 44 67.966 -8.973 -0.220 1.00 0.72 N ATOM 646 CA VAL A 44 68.154 -7.935 -1.273 1.00 0.93 C ATOM 647 C VAL A 44 69.590 -7.406 -1.241 1.00 0.89 C ATOM 648 O VAL A 44 70.152 -7.046 -2.255 1.00 1.06 O ATOM 649 CB VAL A 44 67.166 -6.825 -0.917 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.353 -5.649 -1.877 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.737 -7.358 -1.035 1.00 1.80 C ATOM 0 H VAL A 44 67.558 -8.638 0.653 1.00 0.72 H new ATOM 0 HA VAL A 44 67.981 -8.327 -2.275 1.00 0.93 H new ATOM 0 HB VAL A 44 67.346 -6.492 0.105 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.648 -4.857 -1.624 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.371 -5.269 -1.793 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.173 -5.982 -2.899 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.031 -6.567 -0.781 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.556 -7.691 -2.057 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.604 -8.196 -0.351 1.00 1.80 H new ATOM 661 N MET A 45 70.187 -7.354 -0.082 1.00 0.86 N ATOM 662 CA MET A 45 71.588 -6.850 0.014 1.00 1.06 C ATOM 663 C MET A 45 72.577 -7.953 -0.374 1.00 1.08 C ATOM 664 O MET A 45 73.492 -7.738 -1.144 1.00 1.14 O ATOM 665 CB MET A 45 71.770 -6.465 1.481 1.00 1.34 C ATOM 666 CG MET A 45 71.795 -4.941 1.610 1.00 1.88 C ATOM 667 SD MET A 45 73.490 -4.344 1.402 1.00 2.45 S ATOM 668 CE MET A 45 73.214 -3.408 -0.123 1.00 3.35 C ATOM 0 H MET A 45 69.766 -7.638 0.803 1.00 0.86 H new ATOM 0 HA MET A 45 71.769 -6.010 -0.656 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.958 -6.878 2.080 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.697 -6.888 1.867 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.145 -4.491 0.859 1.00 1.88 H new ATOM 0 HG3 MET A 45 71.410 -4.642 2.585 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.056 -2.738 -0.296 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.121 -4.098 -0.962 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.299 -2.824 -0.031 1.00 3.35 H new ATOM 678 N ARG A 46 72.403 -9.130 0.162 1.00 1.20 N ATOM 679 CA ARG A 46 73.337 -10.246 -0.166 1.00 1.46 C ATOM 680 C ARG A 46 73.297 -10.560 -1.663 1.00 1.52 C ATOM 681 O ARG A 46 74.235 -11.101 -2.216 1.00 1.73 O ATOM 682 CB ARG A 46 72.831 -11.436 0.648 1.00 1.74 C ATOM 683 CG ARG A 46 73.954 -11.951 1.551 1.00 1.93 C ATOM 684 CD ARG A 46 73.571 -13.321 2.112 1.00 2.48 C ATOM 685 NE ARG A 46 74.453 -14.287 1.400 1.00 2.64 N ATOM 686 CZ ARG A 46 75.024 -15.257 2.060 1.00 3.08 C ATOM 687 NH1 ARG A 46 74.305 -16.245 2.522 1.00 3.64 N ATOM 688 NH2 ARG A 46 76.314 -15.241 2.258 1.00 3.41 N ATOM 0 H ARG A 46 71.655 -9.368 0.813 1.00 1.20 H new ATOM 0 HA ARG A 46 74.371 -9.998 0.071 1.00 1.46 H new ATOM 0 HB2 ARG A 46 71.973 -11.139 1.251 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.493 -12.229 -0.019 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.884 -12.024 0.987 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.130 -11.249 2.366 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.727 -13.364 3.190 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.519 -13.541 1.933 1.00 2.48 H new ATOM 0 HE ARG A 46 74.611 -14.190 0.397 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.297 -16.258 2.367 1.00 3.64 H new ATOM 0 HH12 ARG A 46 74.752 -17.003 3.038 1.00 3.64 H new ATOM 0 HH21 ARG A 46 76.876 -14.470 1.897 1.00 3.41 H new ATOM 0 HH22 ARG A 46 76.760 -15.999 2.774 1.00 3.41 H new ATOM 702 N MET A 47 72.225 -10.228 -2.328 1.00 1.46 N ATOM 703 CA MET A 47 72.142 -10.515 -3.789 1.00 1.73 C ATOM 704 C MET A 47 72.922 -9.455 -4.577 1.00 1.75 C ATOM 705 O MET A 47 73.415 -9.708 -5.658 1.00 2.01 O ATOM 706 CB MET A 47 70.645 -10.467 -4.127 1.00 1.70 C ATOM 707 CG MET A 47 70.200 -9.020 -4.356 1.00 1.96 C ATOM 708 SD MET A 47 70.436 -8.589 -6.099 1.00 1.94 S ATOM 709 CE MET A 47 68.924 -7.615 -6.301 1.00 1.52 C ATOM 0 H MET A 47 71.406 -9.772 -1.926 1.00 1.46 H new ATOM 0 HA MET A 47 72.576 -11.481 -4.049 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.447 -11.061 -5.019 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.067 -10.909 -3.315 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.152 -8.902 -4.079 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.776 -8.346 -3.722 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.097 -6.821 -7.027 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.120 -8.260 -6.654 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.643 -7.176 -5.343 1.00 1.52 H new ATOM 719 N LEU A 48 73.033 -8.270 -4.041 1.00 1.60 N ATOM 720 CA LEU A 48 73.779 -7.193 -4.756 1.00 1.69 C ATOM 721 C LEU A 48 75.286 -7.366 -4.551 1.00 1.68 C ATOM 722 O LEU A 48 76.088 -6.757 -5.232 1.00 1.99 O ATOM 723 CB LEU A 48 73.299 -5.890 -4.117 1.00 1.73 C ATOM 724 CG LEU A 48 71.810 -5.696 -4.406 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.254 -4.591 -3.503 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.625 -5.297 -5.871 1.00 2.15 C ATOM 0 H LEU A 48 72.640 -8.000 -3.139 1.00 1.60 H new ATOM 0 HA LEU A 48 73.601 -7.212 -5.831 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.471 -5.916 -3.041 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.869 -5.048 -4.511 1.00 1.73 H new ATOM 0 HG LEU A 48 71.277 -6.627 -4.211 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.193 -4.453 -3.709 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.387 -4.873 -2.459 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.786 -3.660 -3.698 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.564 -5.158 -6.079 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.158 -4.366 -6.065 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.021 -6.082 -6.515 1.00 2.15 H new ATOM 738 N GLY A 49 75.678 -8.189 -3.618 1.00 1.63 N ATOM 739 CA GLY A 49 77.134 -8.395 -3.371 1.00 1.87 C ATOM 740 C GLY A 49 77.514 -7.791 -2.019 1.00 1.54 C ATOM 741 O GLY A 49 78.675 -7.579 -1.727 1.00 1.53 O ATOM 0 H GLY A 49 75.055 -8.727 -3.016 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.369 -9.459 -3.384 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.718 -7.930 -4.166 1.00 1.87 H new ATOM 745 N GLN A 50 76.546 -7.512 -1.190 1.00 1.37 N ATOM 746 CA GLN A 50 76.852 -6.920 0.145 1.00 1.17 C ATOM 747 C GLN A 50 76.496 -7.908 1.259 1.00 1.24 C ATOM 748 O GLN A 50 75.493 -8.591 1.200 1.00 1.75 O ATOM 749 CB GLN A 50 75.974 -5.672 0.235 1.00 1.29 C ATOM 750 CG GLN A 50 76.363 -4.694 -0.874 1.00 1.28 C ATOM 751 CD GLN A 50 76.820 -3.373 -0.253 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.815 -3.221 0.952 1.00 1.89 O ATOM 753 NE2 GLN A 50 77.219 -2.403 -1.030 1.00 1.85 N ATOM 0 H GLN A 50 75.556 -7.668 -1.378 1.00 1.37 H new ATOM 0 HA GLN A 50 77.910 -6.684 0.258 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.923 -5.946 0.141 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.094 -5.199 1.210 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.162 -5.117 -1.483 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.514 -4.522 -1.536 1.00 1.28 H new ATOM 0 HE21 GLN A 50 77.224 -2.529 -2.042 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.526 -1.519 -0.625 1.00 1.85 H new ATOM 762 N ASN A 51 77.310 -7.988 2.277 1.00 1.18 N ATOM 763 CA ASN A 51 77.016 -8.928 3.396 1.00 1.29 C ATOM 764 C ASN A 51 77.209 -8.224 4.741 1.00 1.07 C ATOM 765 O ASN A 51 78.060 -8.598 5.524 1.00 1.45 O ATOM 766 CB ASN A 51 78.028 -10.064 3.237 1.00 1.96 C ATOM 767 CG ASN A 51 77.828 -11.085 4.359 1.00 2.61 C ATOM 768 OD1 ASN A 51 76.789 -11.709 4.449 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.785 -11.281 5.224 1.00 3.29 N ATOM 0 H ASN A 51 78.166 -7.443 2.382 1.00 1.18 H new ATOM 0 HA ASN A 51 75.989 -9.291 3.371 1.00 1.29 H new ATOM 0 HB2 ASN A 51 77.902 -10.544 2.267 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.043 -9.668 3.267 1.00 1.96 H new ATOM 0 HD21 ASN A 51 78.661 -11.958 5.976 1.00 3.29 H new ATOM 0 HD22 ASN A 51 79.657 -10.757 5.148 1.00 3.29 H new ATOM 776 N PRO A 52 76.405 -7.219 4.963 1.00 1.47 N ATOM 777 CA PRO A 52 76.480 -6.444 6.225 1.00 2.11 C ATOM 778 C PRO A 52 75.936 -7.269 7.395 1.00 1.79 C ATOM 779 O PRO A 52 75.307 -8.291 7.207 1.00 2.07 O ATOM 780 CB PRO A 52 75.592 -5.233 5.953 1.00 2.97 C ATOM 781 CG PRO A 52 74.640 -5.683 4.892 1.00 2.97 C ATOM 782 CD PRO A 52 75.360 -6.717 4.066 1.00 2.03 C ATOM 0 HA PRO A 52 77.498 -6.168 6.499 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.062 -4.922 6.853 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.181 -4.379 5.619 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.738 -6.104 5.336 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.328 -4.843 4.272 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.688 -7.515 3.750 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.785 -6.281 3.162 1.00 2.03 H new ATOM 790 N THR A 53 76.172 -6.832 8.602 1.00 1.42 N ATOM 791 CA THR A 53 75.666 -7.590 9.784 1.00 1.16 C ATOM 792 C THR A 53 74.223 -7.184 10.096 1.00 0.98 C ATOM 793 O THR A 53 73.705 -6.244 9.525 1.00 0.92 O ATOM 794 CB THR A 53 76.591 -7.199 10.938 1.00 1.19 C ATOM 795 OG1 THR A 53 77.418 -6.113 10.540 1.00 1.40 O ATOM 796 CG2 THR A 53 77.464 -8.394 11.323 1.00 1.36 C ATOM 0 H THR A 53 76.693 -5.983 8.822 1.00 1.42 H new ATOM 0 HA THR A 53 75.665 -8.666 9.610 1.00 1.16 H new ATOM 0 HB THR A 53 75.990 -6.899 11.796 1.00 1.19 H new ATOM 0 HG1 THR A 53 78.202 -6.067 11.126 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.122 -8.114 12.145 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.829 -9.224 11.633 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.064 -8.698 10.465 1.00 1.36 H new ATOM 804 N PRO A 54 73.624 -7.910 10.999 1.00 0.99 N ATOM 805 CA PRO A 54 72.224 -7.627 11.400 1.00 1.04 C ATOM 806 C PRO A 54 72.161 -6.361 12.258 1.00 0.93 C ATOM 807 O PRO A 54 71.132 -5.722 12.365 1.00 0.94 O ATOM 808 CB PRO A 54 71.830 -8.858 12.212 1.00 1.19 C ATOM 809 CG PRO A 54 73.120 -9.416 12.723 1.00 1.18 C ATOM 810 CD PRO A 54 74.188 -9.053 11.724 1.00 1.10 C ATOM 0 HA PRO A 54 71.560 -7.452 10.553 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.163 -8.593 13.032 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.303 -9.585 11.595 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.355 -9.005 13.705 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.053 -10.498 12.838 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.123 -8.790 12.218 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.405 -9.884 11.052 1.00 1.10 H new ATOM 818 N GLU A 55 73.254 -5.991 12.868 1.00 0.98 N ATOM 819 CA GLU A 55 73.255 -4.764 13.716 1.00 1.08 C ATOM 820 C GLU A 55 73.402 -3.519 12.837 1.00 0.97 C ATOM 821 O GLU A 55 72.825 -2.484 13.106 1.00 1.01 O ATOM 822 CB GLU A 55 74.467 -4.917 14.635 1.00 1.28 C ATOM 823 CG GLU A 55 74.040 -4.688 16.086 1.00 2.15 C ATOM 824 CD GLU A 55 75.244 -4.875 17.010 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.359 -4.797 16.521 1.00 3.14 O ATOM 826 OE2 GLU A 55 75.030 -5.092 18.192 1.00 2.81 O ATOM 0 H GLU A 55 74.145 -6.484 12.816 1.00 0.98 H new ATOM 0 HA GLU A 55 72.329 -4.650 14.280 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.897 -5.912 14.524 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.241 -4.202 14.356 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.632 -3.684 16.202 1.00 2.15 H new ATOM 0 HG3 GLU A 55 73.248 -5.386 16.357 1.00 2.15 H new ATOM 833 N GLU A 56 74.170 -3.613 11.784 1.00 0.92 N ATOM 834 CA GLU A 56 74.351 -2.438 10.886 1.00 0.94 C ATOM 835 C GLU A 56 73.055 -2.152 10.124 1.00 0.84 C ATOM 836 O GLU A 56 72.649 -1.017 9.975 1.00 0.94 O ATOM 837 CB GLU A 56 75.462 -2.846 9.918 1.00 1.06 C ATOM 838 CG GLU A 56 76.818 -2.431 10.490 1.00 1.60 C ATOM 839 CD GLU A 56 77.318 -3.510 11.452 1.00 1.83 C ATOM 840 OE1 GLU A 56 76.527 -4.363 11.817 1.00 2.50 O ATOM 841 OE2 GLU A 56 78.485 -3.464 11.807 1.00 2.08 O ATOM 0 H GLU A 56 74.679 -4.453 11.508 1.00 0.92 H new ATOM 0 HA GLU A 56 74.603 -1.532 11.437 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.439 -3.924 9.755 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.305 -2.374 8.948 1.00 1.06 H new ATOM 0 HG2 GLU A 56 77.536 -2.287 9.683 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.729 -1.478 11.011 1.00 1.60 H new ATOM 848 N LEU A 57 72.403 -3.175 9.642 1.00 0.73 N ATOM 849 CA LEU A 57 71.132 -2.961 8.890 1.00 0.78 C ATOM 850 C LEU A 57 70.269 -1.918 9.603 1.00 0.80 C ATOM 851 O LEU A 57 69.928 -0.894 9.044 1.00 0.89 O ATOM 852 CB LEU A 57 70.438 -4.322 8.888 1.00 0.85 C ATOM 853 CG LEU A 57 70.399 -4.870 7.460 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.992 -6.280 7.438 1.00 1.30 C ATOM 855 CD2 LEU A 57 68.948 -4.919 6.975 1.00 1.10 C ATOM 0 H LEU A 57 72.694 -4.148 9.736 1.00 0.73 H new ATOM 0 HA LEU A 57 71.306 -2.593 7.879 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.969 -5.015 9.541 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.426 -4.227 9.281 1.00 0.85 H new ATOM 0 HG LEU A 57 70.981 -4.222 6.805 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.964 -6.671 6.421 1.00 1.30 H new ATOM 0 HD12 LEU A 57 72.025 -6.246 7.786 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.410 -6.930 8.092 1.00 1.30 H new ATOM 0 HD21 LEU A 57 68.917 -5.309 5.958 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.367 -5.568 7.630 1.00 1.10 H new ATOM 0 HD23 LEU A 57 68.525 -3.915 6.991 1.00 1.10 H new ATOM 867 N GLN A 58 69.918 -2.164 10.836 1.00 0.81 N ATOM 868 CA GLN A 58 69.083 -1.177 11.581 1.00 0.95 C ATOM 869 C GLN A 58 69.915 0.065 11.875 1.00 0.99 C ATOM 870 O GLN A 58 69.449 1.181 11.766 1.00 1.13 O ATOM 871 CB GLN A 58 68.690 -1.856 12.896 1.00 1.09 C ATOM 872 CG GLN A 58 68.372 -3.330 12.654 1.00 1.25 C ATOM 873 CD GLN A 58 66.953 -3.630 13.137 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.937 -3.210 12.433 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 66.766 -4.251 14.164 1.00 1.74 N flip ATOM 0 H GLN A 58 70.172 -3.002 11.359 1.00 0.81 H new ATOM 0 HA GLN A 58 68.205 -0.877 11.009 1.00 0.95 H new ATOM 0 HB2 GLN A 58 69.502 -1.765 13.617 1.00 1.09 H new ATOM 0 HB3 GLN A 58 67.823 -1.355 13.327 1.00 1.09 H new ATOM 0 HG2 GLN A 58 68.464 -3.564 11.593 1.00 1.25 H new ATOM 0 HG3 GLN A 58 69.088 -3.959 13.182 1.00 1.25 H new ATOM 0 HE21 GLN A 58 67.560 -4.579 14.714 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.815 -4.445 14.477 1.00 1.74 H new ATOM 884 N GLU A 59 71.146 -0.127 12.253 1.00 0.97 N ATOM 885 CA GLU A 59 72.010 1.038 12.560 1.00 1.14 C ATOM 886 C GLU A 59 71.836 2.107 11.481 1.00 1.11 C ATOM 887 O GLU A 59 71.669 3.275 11.767 1.00 1.18 O ATOM 888 CB GLU A 59 73.438 0.492 12.556 1.00 1.23 C ATOM 889 CG GLU A 59 74.425 1.645 12.748 1.00 1.60 C ATOM 890 CD GLU A 59 75.583 1.185 13.635 1.00 2.19 C ATOM 891 OE1 GLU A 59 76.269 0.254 13.244 1.00 2.75 O ATOM 892 OE2 GLU A 59 75.765 1.771 14.689 1.00 2.77 O ATOM 0 H GLU A 59 71.588 -1.040 12.362 1.00 0.97 H new ATOM 0 HA GLU A 59 71.762 1.501 13.515 1.00 1.14 H new ATOM 0 HB2 GLU A 59 73.560 -0.242 13.352 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.640 -0.021 11.616 1.00 1.23 H new ATOM 0 HG2 GLU A 59 74.804 1.978 11.782 1.00 1.60 H new ATOM 0 HG3 GLU A 59 73.921 2.497 13.204 1.00 1.60 H new ATOM 899 N MET A 60 71.863 1.709 10.236 1.00 1.11 N ATOM 900 CA MET A 60 71.688 2.696 9.134 1.00 1.18 C ATOM 901 C MET A 60 70.214 3.088 9.020 1.00 1.13 C ATOM 902 O MET A 60 69.881 4.231 8.778 1.00 1.25 O ATOM 903 CB MET A 60 72.154 1.969 7.872 1.00 1.22 C ATOM 904 CG MET A 60 73.608 2.341 7.574 1.00 1.62 C ATOM 905 SD MET A 60 74.569 0.838 7.278 1.00 1.82 S ATOM 906 CE MET A 60 74.095 0.600 5.547 1.00 2.02 C ATOM 0 H MET A 60 71.999 0.743 9.936 1.00 1.11 H new ATOM 0 HA MET A 60 72.252 3.614 9.301 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.064 0.891 8.007 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.519 2.239 7.029 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.656 2.993 6.702 1.00 1.62 H new ATOM 0 HG3 MET A 60 74.031 2.896 8.411 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.881 -0.454 5.370 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.206 1.192 5.328 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.912 0.918 4.899 1.00 2.02 H new ATOM 916 N ILE A 61 69.324 2.147 9.202 1.00 1.04 N ATOM 917 CA ILE A 61 67.872 2.469 9.111 1.00 1.11 C ATOM 918 C ILE A 61 67.492 3.446 10.233 1.00 1.23 C ATOM 919 O ILE A 61 67.012 4.534 9.986 1.00 1.40 O ATOM 920 CB ILE A 61 67.154 1.115 9.261 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.764 0.607 7.871 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.886 1.257 10.112 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.176 -0.857 7.728 1.00 1.14 C ATOM 0 H ILE A 61 69.541 1.172 9.409 1.00 1.04 H new ATOM 0 HA ILE A 61 67.597 2.953 8.174 1.00 1.11 H new ATOM 0 HB ILE A 61 67.828 0.414 9.754 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.689 0.709 7.724 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.250 1.209 7.103 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.398 0.287 10.202 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.152 1.623 11.104 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.205 1.963 9.636 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.898 -1.218 6.738 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.255 -0.946 7.857 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.670 -1.453 8.487 1.00 1.14 H new ATOM 935 N ASP A 62 67.707 3.062 11.463 1.00 1.23 N ATOM 936 CA ASP A 62 67.363 3.967 12.596 1.00 1.43 C ATOM 937 C ASP A 62 67.807 5.396 12.276 1.00 1.48 C ATOM 938 O ASP A 62 67.208 6.358 12.717 1.00 1.67 O ATOM 939 CB ASP A 62 68.141 3.418 13.792 1.00 1.51 C ATOM 940 CG ASP A 62 67.938 4.336 14.999 1.00 1.54 C ATOM 941 OD1 ASP A 62 66.942 4.169 15.683 1.00 2.13 O ATOM 942 OD2 ASP A 62 68.782 5.189 15.219 1.00 1.79 O ATOM 0 H ASP A 62 68.105 2.162 11.731 1.00 1.23 H new ATOM 0 HA ASP A 62 66.291 4.001 12.791 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.802 2.409 14.028 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.201 3.349 13.549 1.00 1.51 H new ATOM 947 N GLU A 63 68.853 5.543 11.509 1.00 1.41 N ATOM 948 CA GLU A 63 69.337 6.908 11.157 1.00 1.52 C ATOM 949 C GLU A 63 68.522 7.471 9.990 1.00 1.47 C ATOM 950 O GLU A 63 67.792 8.431 10.138 1.00 1.80 O ATOM 951 CB GLU A 63 70.797 6.714 10.746 1.00 1.55 C ATOM 952 CG GLU A 63 71.712 7.106 11.908 1.00 2.11 C ATOM 953 CD GLU A 63 72.743 8.126 11.423 1.00 2.26 C ATOM 954 OE1 GLU A 63 72.334 9.152 10.904 1.00 2.93 O ATOM 955 OE2 GLU A 63 73.924 7.863 11.579 1.00 2.32 O ATOM 0 H GLU A 63 69.394 4.775 11.111 1.00 1.41 H new ATOM 0 HA GLU A 63 69.235 7.610 11.984 1.00 1.52 H new ATOM 0 HB2 GLU A 63 70.972 5.675 10.466 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.023 7.322 9.870 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.123 7.527 12.723 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.215 6.223 12.302 1.00 2.11 H new ATOM 962 N VAL A 64 68.641 6.883 8.832 1.00 1.33 N ATOM 963 CA VAL A 64 67.872 7.385 7.656 1.00 1.29 C ATOM 964 C VAL A 64 66.369 7.283 7.925 1.00 1.21 C ATOM 965 O VAL A 64 65.605 8.162 7.577 1.00 1.50 O ATOM 966 CB VAL A 64 68.271 6.468 6.500 1.00 1.40 C ATOM 967 CG1 VAL A 64 69.794 6.324 6.466 1.00 1.69 C ATOM 968 CG2 VAL A 64 67.634 5.091 6.700 1.00 1.31 C ATOM 0 H VAL A 64 69.237 6.076 8.648 1.00 1.33 H new ATOM 0 HA VAL A 64 68.087 8.431 7.439 1.00 1.29 H new ATOM 0 HB VAL A 64 67.925 6.897 5.559 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.079 5.670 5.642 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.249 7.304 6.326 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.140 5.895 7.406 1.00 1.69 H new ATOM 0 HG21 VAL A 64 67.918 4.436 5.876 1.00 1.31 H new ATOM 0 HG22 VAL A 64 67.981 4.663 7.640 1.00 1.31 H new ATOM 0 HG23 VAL A 64 66.549 5.192 6.726 1.00 1.31 H new ATOM 978 N ASP A 65 65.939 6.216 8.540 1.00 1.27 N ATOM 979 CA ASP A 65 64.484 6.059 8.830 1.00 1.38 C ATOM 980 C ASP A 65 64.038 7.098 9.862 1.00 2.07 C ATOM 981 O ASP A 65 64.623 7.231 10.918 1.00 2.61 O ATOM 982 CB ASP A 65 64.346 4.646 9.398 1.00 1.38 C ATOM 983 CG ASP A 65 62.933 4.123 9.128 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.153 4.858 8.545 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.656 2.999 9.510 1.00 2.59 O ATOM 0 H ASP A 65 66.530 5.447 8.854 1.00 1.27 H new ATOM 0 HA ASP A 65 63.866 6.205 7.944 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.083 3.985 8.941 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.544 4.652 10.470 1.00 1.38 H new ATOM 990 N GLU A 66 63.004 7.836 9.563 1.00 2.65 N ATOM 991 CA GLU A 66 62.520 8.868 10.527 1.00 3.74 C ATOM 992 C GLU A 66 61.202 8.419 11.165 1.00 4.00 C ATOM 993 O GLU A 66 60.636 9.107 11.992 1.00 4.93 O ATOM 994 CB GLU A 66 62.305 10.125 9.684 1.00 4.58 C ATOM 995 CG GLU A 66 61.068 9.943 8.803 1.00 5.25 C ATOM 996 CD GLU A 66 61.323 10.566 7.429 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.446 10.482 6.961 1.00 6.61 O ATOM 998 OE2 GLU A 66 60.390 11.117 6.868 1.00 6.67 O ATOM 0 H GLU A 66 62.473 7.770 8.694 1.00 2.65 H new ATOM 0 HA GLU A 66 63.225 9.037 11.341 1.00 3.74 H new ATOM 0 HB2 GLU A 66 62.179 10.993 10.331 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.181 10.314 9.064 1.00 4.58 H new ATOM 0 HG2 GLU A 66 60.837 8.883 8.696 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.203 10.412 9.272 1.00 5.25 H new ATOM 1005 N ASP A 67 60.710 7.271 10.788 1.00 3.32 N ATOM 1006 CA ASP A 67 59.429 6.781 11.372 1.00 3.69 C ATOM 1007 C ASP A 67 59.706 5.686 12.407 1.00 3.25 C ATOM 1008 O ASP A 67 58.884 5.397 13.254 1.00 3.49 O ATOM 1009 CB ASP A 67 58.644 6.217 10.188 1.00 3.68 C ATOM 1010 CG ASP A 67 59.470 5.130 9.499 1.00 3.08 C ATOM 1011 OD1 ASP A 67 59.681 4.097 10.112 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.877 5.349 8.370 1.00 2.33 O ATOM 0 H ASP A 67 61.139 6.651 10.101 1.00 3.32 H new ATOM 0 HA ASP A 67 58.879 7.570 11.885 1.00 3.69 H new ATOM 0 HB2 ASP A 67 57.695 5.805 10.531 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.409 7.013 9.481 1.00 3.68 H new ATOM 1017 N GLY A 68 60.857 5.075 12.343 1.00 2.98 N ATOM 1018 CA GLY A 68 61.185 4.001 13.323 1.00 3.17 C ATOM 1019 C GLY A 68 60.318 2.771 13.044 1.00 2.42 C ATOM 1020 O GLY A 68 59.593 2.304 13.900 1.00 3.05 O ATOM 0 H GLY A 68 61.584 5.273 11.655 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.241 3.739 13.251 1.00 3.17 H new ATOM 0 HA3 GLY A 68 61.014 4.357 14.339 1.00 3.17 H new ATOM 1024 N SER A 69 60.385 2.246 11.851 1.00 1.46 N ATOM 1025 CA SER A 69 59.562 1.048 11.516 1.00 1.52 C ATOM 1026 C SER A 69 60.456 -0.088 11.007 1.00 1.64 C ATOM 1027 O SER A 69 60.061 -1.237 10.983 1.00 2.49 O ATOM 1028 CB SER A 69 58.613 1.518 10.414 1.00 2.44 C ATOM 1029 OG SER A 69 59.340 1.676 9.203 1.00 2.71 O ATOM 0 H SER A 69 60.973 2.594 11.094 1.00 1.46 H new ATOM 0 HA SER A 69 59.025 0.662 12.382 1.00 1.52 H new ATOM 0 HB2 SER A 69 57.809 0.794 10.277 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.147 2.462 10.698 1.00 2.44 H new ATOM 0 HG SER A 69 59.742 2.569 9.177 1.00 2.71 H new ATOM 1035 N GLY A 70 61.657 0.224 10.601 1.00 1.28 N ATOM 1036 CA GLY A 70 62.572 -0.838 10.095 1.00 1.43 C ATOM 1037 C GLY A 70 62.189 -1.204 8.660 1.00 1.29 C ATOM 1038 O GLY A 70 62.695 -2.154 8.096 1.00 1.59 O ATOM 0 H GLY A 70 62.044 1.168 10.598 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.604 -0.489 10.129 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.512 -1.719 10.734 1.00 1.43 H new ATOM 1042 N THR A 71 61.297 -0.459 8.064 1.00 0.89 N ATOM 1043 CA THR A 71 60.883 -0.768 6.665 1.00 0.79 C ATOM 1044 C THR A 71 61.585 0.172 5.681 1.00 0.76 C ATOM 1045 O THR A 71 61.758 1.345 5.945 1.00 0.83 O ATOM 1046 CB THR A 71 59.371 -0.541 6.640 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.086 0.786 7.055 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.687 -1.532 7.584 1.00 1.08 C ATOM 0 H THR A 71 60.838 0.349 8.485 1.00 0.89 H new ATOM 0 HA THR A 71 61.148 -1.784 6.372 1.00 0.79 H new ATOM 0 HB THR A 71 58.998 -0.693 5.627 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.099 0.833 8.034 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.610 -1.368 7.565 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.905 -2.550 7.263 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.058 -1.384 8.598 1.00 1.08 H new ATOM 1056 N VAL A 72 61.989 -0.336 4.549 1.00 0.73 N ATOM 1057 CA VAL A 72 62.679 0.527 3.546 1.00 0.77 C ATOM 1058 C VAL A 72 62.009 0.381 2.177 1.00 0.80 C ATOM 1059 O VAL A 72 61.866 -0.708 1.658 1.00 1.00 O ATOM 1060 CB VAL A 72 64.119 0.012 3.500 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.868 0.689 2.351 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.817 0.337 4.822 1.00 1.13 C ATOM 0 H VAL A 72 61.872 -1.311 4.274 1.00 0.73 H new ATOM 0 HA VAL A 72 62.636 1.584 3.810 1.00 0.77 H new ATOM 0 HB VAL A 72 64.114 -1.067 3.344 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.894 0.322 2.319 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.371 0.461 1.408 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.874 1.768 2.506 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.843 -0.029 4.791 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.821 1.416 4.976 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.285 -0.144 5.642 1.00 1.13 H new ATOM 1072 N ASP A 73 61.594 1.471 1.590 1.00 0.77 N ATOM 1073 CA ASP A 73 60.929 1.394 0.257 1.00 0.83 C ATOM 1074 C ASP A 73 61.871 1.901 -0.839 1.00 0.87 C ATOM 1075 O ASP A 73 63.074 1.931 -0.672 1.00 0.87 O ATOM 1076 CB ASP A 73 59.705 2.302 0.372 1.00 0.85 C ATOM 1077 CG ASP A 73 60.148 3.705 0.790 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.339 3.961 0.764 1.00 2.47 O ATOM 1079 OD2 ASP A 73 59.286 4.500 1.129 1.00 2.57 O ATOM 0 H ASP A 73 61.686 2.411 1.975 1.00 0.77 H new ATOM 0 HA ASP A 73 60.657 0.372 -0.008 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.179 2.344 -0.582 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.006 1.897 1.104 1.00 0.85 H new ATOM 1084 N PHE A 74 61.332 2.295 -1.960 1.00 0.94 N ATOM 1085 CA PHE A 74 62.194 2.798 -3.069 1.00 0.98 C ATOM 1086 C PHE A 74 63.065 3.959 -2.581 1.00 0.86 C ATOM 1087 O PHE A 74 64.099 4.250 -3.147 1.00 0.83 O ATOM 1088 CB PHE A 74 61.220 3.276 -4.145 1.00 1.12 C ATOM 1089 CG PHE A 74 61.983 4.006 -5.224 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.916 3.317 -6.008 1.00 1.97 C ATOM 1091 CD2 PHE A 74 61.759 5.371 -5.441 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.625 3.994 -7.009 1.00 2.84 C ATOM 1093 CE2 PHE A 74 62.468 6.047 -6.440 1.00 3.01 C ATOM 1094 CZ PHE A 74 63.401 5.359 -7.224 1.00 3.18 C ATOM 0 H PHE A 74 60.331 2.291 -2.157 1.00 0.94 H new ATOM 0 HA PHE A 74 62.871 2.030 -3.444 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.687 2.426 -4.572 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.470 3.934 -3.706 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.089 2.264 -5.841 1.00 1.97 H new ATOM 0 HD2 PHE A 74 61.039 5.902 -4.837 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.344 3.463 -7.615 1.00 2.84 H new ATOM 0 HE2 PHE A 74 62.295 7.100 -6.606 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.948 5.881 -7.995 1.00 3.18 H new ATOM 1104 N ASP A 75 62.656 4.625 -1.537 1.00 0.83 N ATOM 1105 CA ASP A 75 63.465 5.766 -1.020 1.00 0.76 C ATOM 1106 C ASP A 75 64.502 5.264 -0.013 1.00 0.69 C ATOM 1107 O ASP A 75 65.690 5.292 -0.265 1.00 0.65 O ATOM 1108 CB ASP A 75 62.456 6.691 -0.340 1.00 0.81 C ATOM 1109 CG ASP A 75 62.683 8.129 -0.811 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.737 8.389 -1.368 1.00 1.49 O ATOM 1111 OD2 ASP A 75 61.801 8.945 -0.607 1.00 1.57 O ATOM 0 H ASP A 75 61.799 4.430 -1.020 1.00 0.83 H new ATOM 0 HA ASP A 75 64.014 6.277 -1.811 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.440 6.376 -0.577 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.564 6.631 0.743 1.00 0.81 H new ATOM 1116 N GLU A 76 64.063 4.801 1.126 1.00 0.77 N ATOM 1117 CA GLU A 76 65.026 4.295 2.146 1.00 0.78 C ATOM 1118 C GLU A 76 66.027 3.337 1.496 1.00 0.70 C ATOM 1119 O GLU A 76 67.151 3.202 1.936 1.00 0.70 O ATOM 1120 CB GLU A 76 64.164 3.558 3.171 1.00 0.95 C ATOM 1121 CG GLU A 76 63.077 4.496 3.695 1.00 1.51 C ATOM 1122 CD GLU A 76 62.523 3.949 5.011 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.224 4.031 6.006 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.407 3.456 5.002 1.00 1.72 O ATOM 0 H GLU A 76 63.080 4.751 1.394 1.00 0.77 H new ATOM 0 HA GLU A 76 65.606 5.097 2.603 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.710 2.678 2.714 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.783 3.206 3.996 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.486 5.495 3.847 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.276 4.588 2.961 1.00 1.51 H new ATOM 1131 N PHE A 77 65.623 2.670 0.449 1.00 0.72 N ATOM 1132 CA PHE A 77 66.547 1.718 -0.234 1.00 0.73 C ATOM 1133 C PHE A 77 67.676 2.483 -0.931 1.00 0.67 C ATOM 1134 O PHE A 77 68.833 2.357 -0.583 1.00 0.69 O ATOM 1135 CB PHE A 77 65.675 0.997 -1.262 1.00 0.84 C ATOM 1136 CG PHE A 77 66.438 -0.168 -1.843 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.924 -1.176 -1.001 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.660 -0.241 -3.223 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.631 -2.257 -1.540 1.00 1.48 C ATOM 1140 CE2 PHE A 77 67.367 -1.322 -3.763 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.853 -2.330 -2.922 1.00 1.46 C ATOM 0 H PHE A 77 64.693 2.743 0.037 1.00 0.72 H new ATOM 0 HA PHE A 77 67.018 1.025 0.463 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.756 0.645 -0.792 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.384 1.686 -2.055 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.753 -1.119 0.064 1.00 1.32 H new ATOM 0 HD2 PHE A 77 66.286 0.537 -3.872 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.005 -3.035 -0.891 1.00 1.48 H new ATOM 0 HE2 PHE A 77 67.537 -1.378 -4.828 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.399 -3.164 -3.338 1.00 1.46 H new ATOM 1151 N LEU A 78 67.347 3.277 -1.913 1.00 0.66 N ATOM 1152 CA LEU A 78 68.399 4.052 -2.632 1.00 0.68 C ATOM 1153 C LEU A 78 69.198 4.901 -1.643 1.00 0.62 C ATOM 1154 O LEU A 78 70.283 5.361 -1.940 1.00 0.64 O ATOM 1155 CB LEU A 78 67.631 4.936 -3.616 1.00 0.77 C ATOM 1156 CG LEU A 78 66.768 4.057 -4.523 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.240 4.892 -5.690 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.612 2.901 -5.065 1.00 1.41 C ATOM 0 H LEU A 78 66.395 3.423 -2.249 1.00 0.66 H new ATOM 0 HA LEU A 78 69.117 3.409 -3.141 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.004 5.643 -3.073 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.328 5.522 -4.215 1.00 0.77 H new ATOM 0 HG LEU A 78 65.929 3.659 -3.952 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.625 4.266 -6.336 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.639 5.716 -5.305 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.079 5.290 -6.261 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.998 2.274 -5.711 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.451 3.299 -5.636 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.989 2.305 -4.234 1.00 1.41 H new ATOM 1170 N VAL A 79 68.673 5.109 -0.469 1.00 0.59 N ATOM 1171 CA VAL A 79 69.407 5.922 0.541 1.00 0.61 C ATOM 1172 C VAL A 79 70.321 5.021 1.377 1.00 0.63 C ATOM 1173 O VAL A 79 71.321 5.457 1.909 1.00 0.68 O ATOM 1174 CB VAL A 79 68.318 6.545 1.414 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.963 7.379 2.522 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.428 7.443 0.553 1.00 0.70 C ATOM 0 H VAL A 79 67.768 4.752 -0.164 1.00 0.59 H new ATOM 0 HA VAL A 79 70.042 6.680 0.083 1.00 0.61 H new ATOM 0 HB VAL A 79 67.715 5.754 1.861 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.185 7.822 3.143 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.597 6.740 3.136 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.567 8.170 2.077 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.651 7.888 1.174 1.00 0.70 H new ATOM 0 HG22 VAL A 79 68.032 8.233 0.106 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.966 6.849 -0.236 1.00 0.70 H new ATOM 1186 N MET A 80 69.980 3.765 1.496 1.00 0.65 N ATOM 1187 CA MET A 80 70.825 2.834 2.298 1.00 0.72 C ATOM 1188 C MET A 80 72.079 2.443 1.513 1.00 0.71 C ATOM 1189 O MET A 80 72.982 1.822 2.037 1.00 0.76 O ATOM 1190 CB MET A 80 69.943 1.610 2.546 1.00 0.80 C ATOM 1191 CG MET A 80 69.981 1.244 4.030 1.00 1.12 C ATOM 1192 SD MET A 80 70.852 -0.328 4.243 1.00 2.17 S ATOM 1193 CE MET A 80 69.419 -1.413 4.034 1.00 2.77 C ATOM 0 H MET A 80 69.153 3.344 1.072 1.00 0.65 H new ATOM 0 HA MET A 80 71.165 3.287 3.230 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.918 1.819 2.239 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.291 0.770 1.945 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.482 2.029 4.596 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.967 1.166 4.422 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.753 -2.449 3.969 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.750 -1.300 4.887 1.00 2.77 H new ATOM 0 HE3 MET A 80 68.890 -1.145 3.120 1.00 2.77 H new ATOM 1203 N MET A 81 72.150 2.810 0.263 1.00 0.69 N ATOM 1204 CA MET A 81 73.361 2.462 -0.543 1.00 0.74 C ATOM 1205 C MET A 81 74.245 3.700 -0.693 1.00 0.75 C ATOM 1206 O MET A 81 75.427 3.604 -0.959 1.00 0.82 O ATOM 1207 CB MET A 81 72.877 1.976 -1.926 1.00 0.73 C ATOM 1208 CG MET A 81 71.345 1.994 -2.030 1.00 0.89 C ATOM 1209 SD MET A 81 70.822 0.938 -3.404 1.00 1.41 S ATOM 1210 CE MET A 81 71.653 -0.575 -2.858 1.00 1.21 C ATOM 0 H MET A 81 71.429 3.332 -0.235 1.00 0.69 H new ATOM 0 HA MET A 81 73.945 1.682 -0.055 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.302 2.610 -2.704 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.242 0.965 -2.105 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.902 1.643 -1.098 1.00 0.89 H new ATOM 0 HG3 MET A 81 70.992 3.013 -2.186 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.071 -1.442 -3.169 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.646 -0.626 -3.304 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.743 -0.569 -1.772 1.00 1.21 H new ATOM 1220 N VAL A 82 73.684 4.863 -0.513 1.00 0.72 N ATOM 1221 CA VAL A 82 74.494 6.107 -0.632 1.00 0.78 C ATOM 1222 C VAL A 82 75.524 6.157 0.496 1.00 0.81 C ATOM 1223 O VAL A 82 76.649 6.576 0.308 1.00 0.93 O ATOM 1224 CB VAL A 82 73.490 7.250 -0.495 1.00 0.80 C ATOM 1225 CG1 VAL A 82 74.218 8.590 -0.618 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.442 7.136 -1.602 1.00 1.36 C ATOM 0 H VAL A 82 72.699 5.006 -0.289 1.00 0.72 H new ATOM 0 HA VAL A 82 75.041 6.163 -1.573 1.00 0.78 H new ATOM 0 HB VAL A 82 73.003 7.192 0.478 1.00 0.80 H new ATOM 0 HG11 VAL A 82 73.500 9.404 -0.520 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.968 8.670 0.169 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.706 8.651 -1.591 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.723 7.950 -1.508 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.932 7.195 -2.574 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.923 6.182 -1.515 1.00 1.36 H new ATOM 1236 N ARG A 83 75.147 5.724 1.668 1.00 0.79 N ATOM 1237 CA ARG A 83 76.101 5.736 2.811 1.00 0.85 C ATOM 1238 C ARG A 83 77.041 4.533 2.715 1.00 0.90 C ATOM 1239 O ARG A 83 78.158 4.564 3.194 1.00 1.00 O ATOM 1240 CB ARG A 83 75.225 5.636 4.059 1.00 0.87 C ATOM 1241 CG ARG A 83 74.515 6.971 4.292 1.00 1.07 C ATOM 1242 CD ARG A 83 73.489 6.814 5.417 1.00 0.92 C ATOM 1243 NE ARG A 83 74.301 6.670 6.657 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.825 6.009 7.677 1.00 1.83 C ATOM 1245 NH1 ARG A 83 72.596 6.211 8.069 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.576 5.146 8.304 1.00 2.49 N ATOM 0 H ARG A 83 74.218 5.362 1.883 1.00 0.79 H new ATOM 0 HA ARG A 83 76.724 6.630 2.825 1.00 0.85 H new ATOM 0 HB2 ARG A 83 74.492 4.838 3.939 1.00 0.87 H new ATOM 0 HB3 ARG A 83 75.835 5.380 4.925 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.241 7.741 4.553 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.020 7.296 3.377 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.830 7.680 5.475 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.856 5.942 5.256 1.00 0.92 H new ATOM 0 HE ARG A 83 75.230 7.088 6.709 1.00 1.62 H new ATOM 0 HH11 ARG A 83 72.008 6.885 7.578 1.00 2.14 H new ATOM 0 HH12 ARG A 83 72.224 5.695 8.866 1.00 2.14 H new ATOM 0 HH21 ARG A 83 75.536 4.987 7.997 1.00 2.49 H new ATOM 0 HH22 ARG A 83 74.203 4.630 9.101 1.00 2.49 H new ATOM 1260 N SER A 84 76.600 3.472 2.094 1.00 0.92 N ATOM 1261 CA SER A 84 77.471 2.268 1.963 1.00 1.01 C ATOM 1262 C SER A 84 78.534 2.505 0.888 1.00 1.06 C ATOM 1263 O SER A 84 79.679 2.128 1.038 1.00 1.38 O ATOM 1264 CB SER A 84 76.530 1.138 1.546 1.00 1.04 C ATOM 1265 OG SER A 84 77.123 -0.111 1.875 1.00 1.52 O ATOM 0 H SER A 84 75.675 3.387 1.672 1.00 0.92 H new ATOM 0 HA SER A 84 77.998 2.036 2.889 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.570 1.243 2.052 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.333 1.190 0.475 1.00 1.04 H new ATOM 0 HG SER A 84 76.522 -0.838 1.611 1.00 1.52 H new ATOM 1271 N MET A 85 78.161 3.128 -0.197 1.00 0.00 N ATOM 1272 CA MET A 85 79.148 3.391 -1.283 1.00 0.00 C ATOM 1273 C MET A 85 79.914 4.686 -0.995 1.00 0.00 C ATOM 1274 O MET A 85 81.127 4.730 -1.064 1.00 0.00 O ATOM 1275 CB MET A 85 78.307 3.532 -2.553 1.00 0.00 C ATOM 1276 CG MET A 85 77.545 2.230 -2.805 1.00 0.00 C ATOM 1277 SD MET A 85 77.282 2.019 -4.583 1.00 0.00 S ATOM 1278 CE MET A 85 75.896 3.170 -4.745 1.00 0.00 C ATOM 0 H MET A 85 77.216 3.466 -0.378 1.00 0.00 H new ATOM 0 HA MET A 85 79.890 2.598 -1.373 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.607 4.361 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.949 3.761 -3.404 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.106 1.385 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.587 2.250 -2.285 1.00 0.00 H new ATOM 0 HE1 MET A 85 74.999 2.621 -5.032 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.726 3.671 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 85 76.127 3.912 -5.509 1.00 0.00 H new ATOM 1288 N LYS A 86 79.214 5.738 -0.671 1.00 0.00 N ATOM 1289 CA LYS A 86 79.899 7.029 -0.375 1.00 0.00 C ATOM 1290 C LYS A 86 80.720 7.487 -1.584 1.00 0.00 C ATOM 1291 O LYS A 86 80.998 6.720 -2.484 1.00 0.00 O ATOM 1292 CB LYS A 86 80.815 6.727 0.811 1.00 0.00 C ATOM 1293 CG LYS A 86 80.461 7.651 1.978 1.00 0.00 C ATOM 1294 CD LYS A 86 80.555 6.876 3.293 1.00 0.00 C ATOM 1295 CE LYS A 86 81.850 7.250 4.015 1.00 0.00 C ATOM 1296 NZ LYS A 86 81.599 8.607 4.575 1.00 0.00 N ATOM 0 H LYS A 86 78.197 5.760 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 86 79.192 7.828 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 86 80.706 5.685 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.857 6.869 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.139 8.504 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 86 79.454 8.047 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 86 79.696 7.104 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 86 80.532 5.804 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 86 82.084 6.534 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.697 7.256 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.367 9.248 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.694 8.970 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 81.561 8.553 5.613 1.00 0.00 H new ATOM 1310 N ASP A 87 81.112 8.731 -1.609 1.00 0.00 N ATOM 1311 CA ASP A 87 81.914 9.238 -2.758 1.00 0.00 C ATOM 1312 C ASP A 87 83.386 8.857 -2.585 1.00 0.00 C ATOM 1313 O ASP A 87 83.956 8.158 -3.399 1.00 0.00 O ATOM 1314 CB ASP A 87 81.746 10.758 -2.719 1.00 0.00 C ATOM 1315 CG ASP A 87 81.730 11.307 -4.146 1.00 0.00 C ATOM 1316 OD1 ASP A 87 82.755 11.225 -4.804 1.00 0.00 O ATOM 1317 OD2 ASP A 87 80.694 11.803 -4.558 1.00 0.00 O ATOM 0 H ASP A 87 80.911 9.419 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 87 81.586 8.816 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 87 80.820 11.019 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 87 82.561 11.210 -2.153 1.00 0.00 H new ATOM 1322 N ASP A 88 84.005 9.308 -1.528 1.00 0.00 N ATOM 1323 CA ASP A 88 85.440 8.968 -1.304 1.00 0.00 C ATOM 1324 C ASP A 88 85.562 7.571 -0.690 1.00 0.00 C ATOM 1325 O ASP A 88 86.596 6.938 -0.765 1.00 0.00 O ATOM 1326 CB ASP A 88 85.950 10.030 -0.327 1.00 0.00 C ATOM 1327 CG ASP A 88 86.628 11.157 -1.109 1.00 0.00 C ATOM 1328 OD1 ASP A 88 87.270 10.860 -2.102 1.00 0.00 O ATOM 1329 OD2 ASP A 88 86.492 12.298 -0.700 1.00 0.00 O ATOM 0 H ASP A 88 83.580 9.896 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 88 86.013 8.958 -2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 88 85.122 10.427 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 88 86.655 9.585 0.376 1.00 0.00 H new ATOM 1334 N SER A 89 84.514 7.085 -0.084 1.00 0.00 N ATOM 1335 CA SER A 89 84.571 5.730 0.533 1.00 0.00 C ATOM 1336 C SER A 89 85.871 5.564 1.326 1.00 0.00 C ATOM 1337 O SER A 89 86.854 5.150 0.734 1.00 0.00 O ATOM 1338 CB SER A 89 84.533 4.758 -0.645 1.00 0.00 C ATOM 1339 OG SER A 89 85.772 4.813 -1.339 1.00 0.00 O ATOM 1340 OXT SER A 89 85.860 5.854 2.511 1.00 0.00 O ATOM 0 H SER A 89 83.620 7.568 0.011 1.00 0.00 H new ATOM 0 HA SER A 89 83.751 5.558 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 89 84.347 3.745 -0.289 1.00 0.00 H new ATOM 0 HB3 SER A 89 83.715 5.015 -1.317 1.00 0.00 H new ATOM 0 HG SER A 89 86.410 5.353 -0.827 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.086 3.018 7.476 1.00 1.15 CA