USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 23 GLN : amide:sc= -0.0292 K(o=-0.029,f=-2.4!) USER MOD Set 1.2: A 25 ASN : amide:sc= 0 X(o=-0.029,f=-0.029) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.5!) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.22) USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= 2.33 (180deg=1.66) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= 0.846 F(o=0,f=0.85) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00361) USER MOD Single : A 33 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0502 (180deg=-0.275) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00156 F(o=-1.9!,f=-0.0016) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.18 K(o=1.2,f=-0.89) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.808) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.114 11.586 4.440 1.00 1.21 N ATOM 21 CA ALA A 2 1.687 11.677 4.549 1.00 64.00 C ATOM 22 C ALA A 2 1.245 10.589 5.478 1.00 43.30 C ATOM 23 O ALA A 2 1.453 9.418 5.183 1.00 21.14 O ATOM 24 CB ALA A 2 1.035 11.517 3.191 1.00 0.22 C ATOM 0 HA ALA A 2 1.393 12.654 4.933 1.00 64.00 H new ATOM 0 HB1 ALA A 2 -0.047 11.589 3.296 1.00 0.22 H new ATOM 0 HB2 ALA A 2 1.388 12.303 2.523 1.00 0.22 H new ATOM 0 HB3 ALA A 2 1.295 10.544 2.775 1.00 0.22 H new ATOM 30 N THR A 3 0.672 10.956 6.585 1.00 4.42 N ATOM 31 CA THR A 3 0.291 9.992 7.575 1.00 21.03 C ATOM 32 C THR A 3 -1.190 9.674 7.511 1.00 14.12 C ATOM 33 O THR A 3 -2.020 10.576 7.289 1.00 33.41 O ATOM 34 CB THR A 3 0.666 10.480 8.987 1.00 55.11 C ATOM 35 OG1 THR A 3 0.047 11.759 9.241 1.00 63.44 O ATOM 36 CG2 THR A 3 2.174 10.616 9.123 1.00 11.12 C ATOM 0 H THR A 3 0.457 11.923 6.827 1.00 4.42 H new ATOM 0 HA THR A 3 0.841 9.076 7.359 1.00 21.03 H new ATOM 0 HB THR A 3 0.310 9.747 9.711 1.00 55.11 H new ATOM 0 HG1 THR A 3 0.286 12.065 10.141 1.00 63.44 H new ATOM 0 HG21 THR A 3 2.419 10.962 10.127 1.00 11.12 H new ATOM 0 HG22 THR A 3 2.644 9.648 8.948 1.00 11.12 H new ATOM 0 HG23 THR A 3 2.542 11.336 8.392 1.00 11.12 H new ATOM 44 N ASN A 4 -1.497 8.400 7.693 1.00 12.10 N ATOM 45 CA ASN A 4 -2.860 7.864 7.715 1.00 23.22 C ATOM 46 C ASN A 4 -3.593 8.208 6.430 1.00 24.30 C ATOM 47 O ASN A 4 -4.356 9.188 6.351 1.00 54.13 O ATOM 48 CB ASN A 4 -3.648 8.314 8.974 1.00 60.03 C ATOM 49 CG ASN A 4 -5.033 7.662 9.139 1.00 43.31 C ATOM 50 OD1 ASN A 4 -5.701 7.297 8.177 1.00 50.22 O ATOM 51 ND2 ASN A 4 -5.471 7.538 10.367 1.00 51.23 N ATOM 0 H ASN A 4 -0.786 7.683 7.835 1.00 12.10 H new ATOM 0 HA ASN A 4 -2.786 6.778 7.776 1.00 23.22 H new ATOM 0 HB2 ASN A 4 -3.050 8.091 9.858 1.00 60.03 H new ATOM 0 HB3 ASN A 4 -3.774 9.396 8.939 1.00 60.03 H new ATOM 0 HD21 ASN A 4 -6.389 7.129 10.542 1.00 51.23 H new ATOM 0 HD22 ASN A 4 -4.894 7.850 11.148 1.00 51.23 H new ATOM 58 N ILE A 5 -3.276 7.475 5.418 1.00 31.22 N ATOM 59 CA ILE A 5 -3.876 7.632 4.133 1.00 22.25 C ATOM 60 C ILE A 5 -4.930 6.587 3.941 1.00 2.20 C ATOM 61 O ILE A 5 -4.821 5.476 4.471 1.00 3.12 O ATOM 62 CB ILE A 5 -2.833 7.484 3.005 1.00 2.35 C ATOM 63 CG1 ILE A 5 -1.710 8.477 3.199 1.00 40.34 C ATOM 64 CG2 ILE A 5 -3.471 7.641 1.614 1.00 50.41 C ATOM 65 CD1 ILE A 5 -0.739 8.487 2.074 1.00 13.42 C ATOM 0 H ILE A 5 -2.577 6.733 5.460 1.00 31.22 H new ATOM 0 HA ILE A 5 -4.309 8.631 4.087 1.00 22.25 H new ATOM 0 HB ILE A 5 -2.423 6.475 3.058 1.00 2.35 H new ATOM 0 HG12 ILE A 5 -2.132 9.475 3.316 1.00 40.34 H new ATOM 0 HG13 ILE A 5 -1.183 8.244 4.124 1.00 40.34 H new ATOM 0 HG21 ILE A 5 -2.704 7.530 0.847 1.00 50.41 H new ATOM 0 HG22 ILE A 5 -4.235 6.876 1.476 1.00 50.41 H new ATOM 0 HG23 ILE A 5 -3.926 8.628 1.532 1.00 50.41 H new ATOM 0 HD11 ILE A 5 0.042 9.220 2.274 1.00 13.42 H new ATOM 0 HD12 ILE A 5 -0.291 7.499 1.971 1.00 13.42 H new ATOM 0 HD13 ILE A 5 -1.255 8.749 1.150 1.00 13.42 H new ATOM 77 N VAL A 6 -5.932 6.940 3.206 1.00 70.33 N ATOM 78 CA VAL A 6 -6.973 6.043 2.871 1.00 53.24 C ATOM 79 C VAL A 6 -6.663 5.382 1.558 1.00 33.33 C ATOM 80 O VAL A 6 -6.256 6.043 0.589 1.00 21.42 O ATOM 81 CB VAL A 6 -8.330 6.765 2.730 1.00 61.11 C ATOM 82 CG1 VAL A 6 -9.425 5.811 2.252 1.00 31.42 C ATOM 83 CG2 VAL A 6 -8.719 7.428 4.030 1.00 34.12 C ATOM 0 H VAL A 6 -6.047 7.876 2.818 1.00 70.33 H new ATOM 0 HA VAL A 6 -7.043 5.311 3.676 1.00 53.24 H new ATOM 0 HB VAL A 6 -8.218 7.539 1.971 1.00 61.11 H new ATOM 0 HG11 VAL A 6 -10.367 6.353 2.164 1.00 31.42 H new ATOM 0 HG12 VAL A 6 -9.151 5.400 1.281 1.00 31.42 H new ATOM 0 HG13 VAL A 6 -9.539 4.999 2.970 1.00 31.42 H new ATOM 0 HG21 VAL A 6 -9.678 7.931 3.909 1.00 34.12 H new ATOM 0 HG22 VAL A 6 -8.801 6.674 4.813 1.00 34.12 H new ATOM 0 HG23 VAL A 6 -7.959 8.158 4.308 1.00 34.12 H new ATOM 93 N GLY A 7 -6.817 4.112 1.536 1.00 65.00 N ATOM 94 CA GLY A 7 -6.737 3.399 0.340 1.00 5.21 C ATOM 95 C GLY A 7 -7.353 2.059 0.463 1.00 62.10 C ATOM 96 O GLY A 7 -7.624 1.595 1.546 1.00 62.02 O ATOM 0 H GLY A 7 -7.004 3.542 2.361 1.00 65.00 H new ATOM 0 HA2 GLY A 7 -7.236 3.958 -0.452 1.00 5.21 H new ATOM 0 HA3 GLY A 7 -5.692 3.294 0.047 1.00 5.21 H new ATOM 100 N LYS A 8 -7.607 1.481 -0.634 1.00 21.44 N ATOM 101 CA LYS A 8 -8.121 0.164 -0.742 1.00 33.15 C ATOM 102 C LYS A 8 -7.111 -0.670 -1.515 1.00 74.02 C ATOM 103 O LYS A 8 -6.542 -0.194 -2.505 1.00 52.25 O ATOM 104 CB LYS A 8 -9.471 0.215 -1.466 1.00 40.42 C ATOM 105 CG LYS A 8 -10.089 -1.107 -1.779 1.00 51.02 C ATOM 106 CD LYS A 8 -11.348 -0.905 -2.584 1.00 31.45 C ATOM 107 CE LYS A 8 -11.068 -0.317 -3.973 1.00 22.14 C ATOM 108 NZ LYS A 8 -12.302 -0.189 -4.771 1.00 55.51 N ATOM 0 H LYS A 8 -7.458 1.929 -1.538 1.00 21.44 H new ATOM 0 HA LYS A 8 -8.279 -0.285 0.239 1.00 33.15 H new ATOM 0 HB2 LYS A 8 -10.169 0.786 -0.854 1.00 40.42 H new ATOM 0 HB3 LYS A 8 -9.342 0.765 -2.398 1.00 40.42 H new ATOM 0 HG2 LYS A 8 -9.385 -1.725 -2.337 1.00 51.02 H new ATOM 0 HG3 LYS A 8 -10.318 -1.639 -0.856 1.00 51.02 H new ATOM 0 HD2 LYS A 8 -11.862 -1.860 -2.694 1.00 31.45 H new ATOM 0 HD3 LYS A 8 -12.020 -0.241 -2.041 1.00 31.45 H new ATOM 0 HE2 LYS A 8 -10.601 0.662 -3.866 1.00 22.14 H new ATOM 0 HE3 LYS A 8 -10.358 -0.953 -4.501 1.00 22.14 H new ATOM 0 HZ1 LYS A 8 -12.090 0.304 -5.662 1.00 55.51 H new ATOM 0 HZ2 LYS A 8 -12.680 -1.135 -4.981 1.00 55.51 H new ATOM 0 HZ3 LYS A 8 -13.008 0.354 -4.234 1.00 55.51 H new ATOM 122 N VAL A 9 -6.861 -1.874 -1.047 1.00 22.13 N ATOM 123 CA VAL A 9 -5.917 -2.780 -1.685 1.00 30.30 C ATOM 124 C VAL A 9 -6.367 -3.063 -3.115 1.00 43.52 C ATOM 125 O VAL A 9 -7.333 -3.801 -3.352 1.00 75.45 O ATOM 126 CB VAL A 9 -5.747 -4.104 -0.873 1.00 3.32 C ATOM 127 CG1 VAL A 9 -4.755 -5.060 -1.535 1.00 24.11 C ATOM 128 CG2 VAL A 9 -5.316 -3.803 0.555 1.00 23.45 C ATOM 0 H VAL A 9 -7.305 -2.257 -0.212 1.00 22.13 H new ATOM 0 HA VAL A 9 -4.939 -2.299 -1.709 1.00 30.30 H new ATOM 0 HB VAL A 9 -6.718 -4.599 -0.856 1.00 3.32 H new ATOM 0 HG11 VAL A 9 -4.668 -5.967 -0.936 1.00 24.11 H new ATOM 0 HG12 VAL A 9 -5.108 -5.317 -2.534 1.00 24.11 H new ATOM 0 HG13 VAL A 9 -3.780 -4.579 -1.608 1.00 24.11 H new ATOM 0 HG21 VAL A 9 -5.203 -4.737 1.105 1.00 23.45 H new ATOM 0 HG22 VAL A 9 -4.365 -3.271 0.543 1.00 23.45 H new ATOM 0 HG23 VAL A 9 -6.071 -3.185 1.041 1.00 23.45 H new ATOM 138 N LYS A 10 -5.682 -2.427 -4.048 1.00 20.34 N ATOM 139 CA LYS A 10 -5.995 -2.477 -5.462 1.00 44.43 C ATOM 140 C LYS A 10 -5.663 -3.876 -5.972 1.00 35.22 C ATOM 141 O LYS A 10 -6.465 -4.510 -6.654 1.00 42.13 O ATOM 142 CB LYS A 10 -5.135 -1.416 -6.147 1.00 61.24 C ATOM 143 CG LYS A 10 -5.422 -1.082 -7.596 1.00 24.24 C ATOM 144 CD LYS A 10 -4.339 -0.122 -8.073 1.00 55.42 C ATOM 145 CE LYS A 10 -4.535 0.404 -9.473 1.00 60.15 C ATOM 146 NZ LYS A 10 -5.629 1.386 -9.580 1.00 11.41 N ATOM 0 H LYS A 10 -4.871 -1.846 -3.836 1.00 20.34 H new ATOM 0 HA LYS A 10 -7.047 -2.278 -5.666 1.00 44.43 H new ATOM 0 HB2 LYS A 10 -5.222 -0.495 -5.570 1.00 61.24 H new ATOM 0 HB3 LYS A 10 -4.096 -1.737 -6.080 1.00 61.24 H new ATOM 0 HG2 LYS A 10 -5.426 -1.987 -8.204 1.00 24.24 H new ATOM 0 HG3 LYS A 10 -6.407 -0.627 -7.696 1.00 24.24 H new ATOM 0 HD2 LYS A 10 -4.293 0.722 -7.385 1.00 55.42 H new ATOM 0 HD3 LYS A 10 -3.375 -0.628 -8.021 1.00 55.42 H new ATOM 0 HE2 LYS A 10 -3.608 0.865 -9.813 1.00 60.15 H new ATOM 0 HE3 LYS A 10 -4.740 -0.432 -10.142 1.00 60.15 H new ATOM 0 HZ1 LYS A 10 -6.018 1.369 -10.544 1.00 11.41 H new ATOM 0 HZ2 LYS A 10 -6.378 1.146 -8.900 1.00 11.41 H new ATOM 0 HZ3 LYS A 10 -5.263 2.337 -9.371 1.00 11.41 H new ATOM 160 N TRP A 11 -4.475 -4.343 -5.602 1.00 42.52 N ATOM 161 CA TRP A 11 -3.997 -5.691 -5.894 1.00 63.03 C ATOM 162 C TRP A 11 -2.688 -5.900 -5.187 1.00 54.52 C ATOM 163 O TRP A 11 -2.072 -4.928 -4.737 1.00 24.32 O ATOM 164 CB TRP A 11 -3.832 -5.971 -7.406 1.00 3.04 C ATOM 165 CG TRP A 11 -2.865 -5.095 -8.140 1.00 40.42 C ATOM 166 CD1 TRP A 11 -3.129 -3.923 -8.769 1.00 14.31 C ATOM 167 CD2 TRP A 11 -1.478 -5.356 -8.340 1.00 63.15 C ATOM 168 NE1 TRP A 11 -1.984 -3.436 -9.340 1.00 52.31 N ATOM 169 CE2 TRP A 11 -0.955 -4.305 -9.088 1.00 51.22 C ATOM 170 CE3 TRP A 11 -0.638 -6.385 -7.948 1.00 12.22 C ATOM 171 CZ2 TRP A 11 0.387 -4.250 -9.459 1.00 33.44 C ATOM 172 CZ3 TRP A 11 0.695 -6.337 -8.309 1.00 21.52 C ATOM 173 CH2 TRP A 11 1.195 -5.274 -9.059 1.00 62.43 C ATOM 0 H TRP A 11 -3.802 -3.783 -5.079 1.00 42.52 H new ATOM 0 HA TRP A 11 -4.752 -6.391 -5.538 1.00 63.03 H new ATOM 0 HB2 TRP A 11 -3.517 -7.007 -7.530 1.00 3.04 H new ATOM 0 HB3 TRP A 11 -4.809 -5.876 -7.880 1.00 3.04 H new ATOM 0 HD1 TRP A 11 -4.097 -3.446 -8.813 1.00 14.31 H new ATOM 0 HE1 TRP A 11 -1.909 -2.566 -9.868 1.00 52.31 H new ATOM 0 HE3 TRP A 11 -1.019 -7.213 -7.369 1.00 12.22 H new ATOM 0 HZ2 TRP A 11 0.773 -3.427 -10.042 1.00 33.44 H new ATOM 0 HZ3 TRP A 11 1.358 -7.134 -8.006 1.00 21.52 H new ATOM 0 HH2 TRP A 11 2.241 -5.261 -9.328 1.00 62.43 H new ATOM 184 N TYR A 12 -2.254 -7.133 -5.097 1.00 20.22 N ATOM 185 CA TYR A 12 -0.999 -7.455 -4.439 1.00 71.30 C ATOM 186 C TYR A 12 -0.534 -8.845 -4.828 1.00 64.42 C ATOM 187 O TYR A 12 -1.316 -9.796 -4.822 1.00 33.05 O ATOM 188 CB TYR A 12 -1.133 -7.334 -2.901 1.00 55.12 C ATOM 189 CG TYR A 12 0.137 -7.655 -2.125 1.00 34.32 C ATOM 190 CD1 TYR A 12 1.181 -6.741 -2.048 1.00 20.12 C ATOM 191 CD2 TYR A 12 0.280 -8.865 -1.458 1.00 24.40 C ATOM 192 CE1 TYR A 12 2.331 -7.027 -1.335 1.00 50.44 C ATOM 193 CE2 TYR A 12 1.426 -9.158 -0.746 1.00 71.10 C ATOM 194 CZ TYR A 12 2.449 -8.238 -0.686 1.00 24.41 C ATOM 195 OH TYR A 12 3.598 -8.528 0.035 1.00 74.45 O ATOM 0 H TYR A 12 -2.752 -7.940 -5.473 1.00 20.22 H new ATOM 0 HA TYR A 12 -0.249 -6.736 -4.770 1.00 71.30 H new ATOM 0 HB2 TYR A 12 -1.446 -6.319 -2.656 1.00 55.12 H new ATOM 0 HB3 TYR A 12 -1.926 -8.002 -2.565 1.00 55.12 H new ATOM 0 HD1 TYR A 12 1.093 -5.791 -2.554 1.00 20.12 H new ATOM 0 HD2 TYR A 12 -0.520 -9.590 -1.497 1.00 24.40 H new ATOM 0 HE1 TYR A 12 3.133 -6.305 -1.287 1.00 50.44 H new ATOM 0 HE2 TYR A 12 1.520 -10.106 -0.237 1.00 71.10 H new ATOM 0 HH TYR A 12 3.519 -9.421 0.431 1.00 74.45 H new ATOM 205 N ASN A 13 0.727 -8.956 -5.181 1.00 71.11 N ATOM 206 CA ASN A 13 1.323 -10.239 -5.486 1.00 32.25 C ATOM 207 C ASN A 13 2.544 -10.438 -4.636 1.00 11.40 C ATOM 208 O ASN A 13 3.580 -9.783 -4.852 1.00 20.33 O ATOM 209 CB ASN A 13 1.689 -10.404 -6.981 1.00 51.04 C ATOM 210 CG ASN A 13 0.488 -10.448 -7.914 1.00 62.22 C ATOM 211 OD1 ASN A 13 -0.031 -11.623 -8.147 1.00 52.35 O flip ATOM 212 ND2 ASN A 13 0.045 -9.428 -8.435 1.00 44.15 N flip ATOM 0 H ASN A 13 1.366 -8.165 -5.265 1.00 71.11 H new ATOM 0 HA ASN A 13 0.574 -10.999 -5.264 1.00 32.25 H new ATOM 0 HB2 ASN A 13 2.336 -9.579 -7.279 1.00 51.04 H new ATOM 0 HB3 ASN A 13 2.265 -11.321 -7.104 1.00 51.04 H new ATOM 0 HD21 ASN A 13 0.473 -8.525 -8.232 1.00 44.15 H new ATOM 0 HD22 ASN A 13 -0.751 -9.484 -9.070 1.00 44.15 H new ATOM 219 N SER A 14 2.431 -11.322 -3.667 1.00 43.23 N ATOM 220 CA SER A 14 3.510 -11.629 -2.738 1.00 54.24 C ATOM 221 C SER A 14 4.766 -12.102 -3.492 1.00 22.21 C ATOM 222 O SER A 14 5.889 -11.797 -3.101 1.00 45.23 O ATOM 223 CB SER A 14 3.036 -12.699 -1.755 1.00 11.14 C ATOM 224 OG SER A 14 1.848 -12.275 -1.087 1.00 63.11 O ATOM 0 H SER A 14 1.579 -11.856 -3.496 1.00 43.23 H new ATOM 0 HA SER A 14 3.776 -10.726 -2.189 1.00 54.24 H new ATOM 0 HB2 SER A 14 2.848 -13.632 -2.287 1.00 11.14 H new ATOM 0 HB3 SER A 14 3.819 -12.901 -1.024 1.00 11.14 H new ATOM 0 HG SER A 14 1.557 -12.972 -0.463 1.00 63.11 H new ATOM 230 N THR A 15 4.551 -12.798 -4.593 1.00 20.21 N ATOM 231 CA THR A 15 5.621 -13.305 -5.431 1.00 73.21 C ATOM 232 C THR A 15 6.486 -12.143 -6.006 1.00 71.22 C ATOM 233 O THR A 15 7.700 -12.271 -6.158 1.00 54.42 O ATOM 234 CB THR A 15 5.014 -14.143 -6.581 1.00 12.30 C ATOM 235 OG1 THR A 15 4.176 -15.170 -6.013 1.00 4.21 O ATOM 236 CG2 THR A 15 6.091 -14.800 -7.430 1.00 64.40 C ATOM 0 H THR A 15 3.618 -13.030 -4.934 1.00 20.21 H new ATOM 0 HA THR A 15 6.273 -13.933 -4.824 1.00 73.21 H new ATOM 0 HB THR A 15 4.438 -13.476 -7.222 1.00 12.30 H new ATOM 0 HG1 THR A 15 3.784 -15.707 -6.733 1.00 4.21 H new ATOM 0 HG21 THR A 15 5.624 -15.379 -8.226 1.00 64.40 H new ATOM 0 HG22 THR A 15 6.729 -14.032 -7.867 1.00 64.40 H new ATOM 0 HG23 THR A 15 6.693 -15.461 -6.806 1.00 64.40 H new ATOM 244 N LYS A 16 5.860 -11.004 -6.272 1.00 1.43 N ATOM 245 CA LYS A 16 6.586 -9.870 -6.837 1.00 14.33 C ATOM 246 C LYS A 16 6.987 -8.884 -5.753 1.00 54.43 C ATOM 247 O LYS A 16 7.747 -7.967 -6.008 1.00 24.12 O ATOM 248 CB LYS A 16 5.719 -9.140 -7.862 1.00 24.23 C ATOM 249 CG LYS A 16 5.307 -9.973 -9.039 1.00 33.32 C ATOM 250 CD LYS A 16 4.456 -9.164 -10.008 1.00 2.34 C ATOM 251 CE LYS A 16 5.188 -7.932 -10.535 1.00 54.13 C ATOM 252 NZ LYS A 16 4.388 -7.187 -11.532 1.00 22.41 N ATOM 0 H LYS A 16 4.867 -10.840 -6.109 1.00 1.43 H new ATOM 0 HA LYS A 16 7.482 -10.262 -7.318 1.00 14.33 H new ATOM 0 HB2 LYS A 16 4.823 -8.771 -7.363 1.00 24.23 H new ATOM 0 HB3 LYS A 16 6.264 -8.268 -8.224 1.00 24.23 H new ATOM 0 HG2 LYS A 16 6.193 -10.347 -9.552 1.00 33.32 H new ATOM 0 HG3 LYS A 16 4.746 -10.842 -8.696 1.00 33.32 H new ATOM 0 HD2 LYS A 16 4.164 -9.796 -10.846 1.00 2.34 H new ATOM 0 HD3 LYS A 16 3.538 -8.853 -9.509 1.00 2.34 H new ATOM 0 HE2 LYS A 16 5.431 -7.273 -9.702 1.00 54.13 H new ATOM 0 HE3 LYS A 16 6.132 -8.238 -10.986 1.00 54.13 H new ATOM 0 HZ1 LYS A 16 4.926 -6.360 -11.861 1.00 22.41 H new ATOM 0 HZ2 LYS A 16 4.177 -7.806 -12.340 1.00 22.41 H new ATOM 0 HZ3 LYS A 16 3.498 -6.871 -11.097 1.00 22.41 H new ATOM 266 N ASN A 17 6.473 -9.104 -4.536 1.00 15.31 N ATOM 267 CA ASN A 17 6.713 -8.218 -3.363 1.00 71.13 C ATOM 268 C ASN A 17 6.179 -6.807 -3.634 1.00 60.41 C ATOM 269 O ASN A 17 6.568 -5.830 -2.964 1.00 40.30 O ATOM 270 CB ASN A 17 8.213 -8.137 -3.014 1.00 25.23 C ATOM 271 CG ASN A 17 8.862 -9.470 -2.694 1.00 34.54 C ATOM 272 OD1 ASN A 17 8.124 -10.386 -2.127 1.00 24.31 O flip ATOM 273 ND2 ASN A 17 10.043 -9.666 -2.964 1.00 50.23 N flip ATOM 0 H ASN A 17 5.875 -9.902 -4.324 1.00 15.31 H new ATOM 0 HA ASN A 17 6.182 -8.652 -2.516 1.00 71.13 H new ATOM 0 HB2 ASN A 17 8.743 -7.682 -3.851 1.00 25.23 H new ATOM 0 HB3 ASN A 17 8.338 -7.473 -2.159 1.00 25.23 H new ATOM 0 HD21 ASN A 17 10.594 -8.931 -3.407 1.00 50.23 H new ATOM 0 HD22 ASN A 17 10.474 -10.564 -2.745 1.00 50.23 H new ATOM 280 N PHE A 18 5.260 -6.714 -4.572 1.00 71.22 N ATOM 281 CA PHE A 18 4.650 -5.467 -4.965 1.00 23.35 C ATOM 282 C PHE A 18 3.169 -5.632 -5.157 1.00 25.44 C ATOM 283 O PHE A 18 2.650 -6.758 -5.274 1.00 35.42 O ATOM 284 CB PHE A 18 5.257 -4.879 -6.265 1.00 12.22 C ATOM 285 CG PHE A 18 6.635 -4.277 -6.146 1.00 22.21 C ATOM 286 CD1 PHE A 18 6.790 -2.977 -5.689 1.00 13.43 C ATOM 287 CD2 PHE A 18 7.761 -4.988 -6.513 1.00 32.52 C ATOM 288 CE1 PHE A 18 8.041 -2.402 -5.601 1.00 73.30 C ATOM 289 CE2 PHE A 18 9.017 -4.421 -6.424 1.00 63.42 C ATOM 290 CZ PHE A 18 9.156 -3.125 -5.966 1.00 63.24 C ATOM 0 H PHE A 18 4.911 -7.520 -5.091 1.00 71.22 H new ATOM 0 HA PHE A 18 4.851 -4.770 -4.152 1.00 23.35 H new ATOM 0 HB2 PHE A 18 5.293 -5.670 -7.014 1.00 12.22 H new ATOM 0 HB3 PHE A 18 4.580 -4.113 -6.643 1.00 12.22 H new ATOM 0 HD1 PHE A 18 5.920 -2.407 -5.398 1.00 13.43 H new ATOM 0 HD2 PHE A 18 7.658 -6.001 -6.874 1.00 32.52 H new ATOM 0 HE1 PHE A 18 8.146 -1.387 -5.247 1.00 73.30 H new ATOM 0 HE2 PHE A 18 9.889 -4.990 -6.712 1.00 63.42 H new ATOM 0 HZ PHE A 18 10.137 -2.679 -5.894 1.00 63.24 H new ATOM 300 N GLY A 19 2.511 -4.527 -5.180 1.00 12.14 N ATOM 301 CA GLY A 19 1.122 -4.449 -5.401 1.00 40.42 C ATOM 302 C GLY A 19 0.754 -3.015 -5.476 1.00 50.23 C ATOM 303 O GLY A 19 1.641 -2.165 -5.456 1.00 23.21 O ATOM 0 H GLY A 19 2.951 -3.618 -5.039 1.00 12.14 H new ATOM 0 HA2 GLY A 19 0.853 -4.961 -6.325 1.00 40.42 H new ATOM 0 HA3 GLY A 19 0.579 -4.941 -4.594 1.00 40.42 H new ATOM 307 N PHE A 20 -0.491 -2.721 -5.528 1.00 0.45 N ATOM 308 CA PHE A 20 -0.941 -1.354 -5.575 1.00 63.30 C ATOM 309 C PHE A 20 -2.092 -1.120 -4.663 1.00 72.13 C ATOM 310 O PHE A 20 -2.770 -2.057 -4.231 1.00 75.23 O ATOM 311 CB PHE A 20 -1.283 -0.876 -6.984 1.00 0.31 C ATOM 312 CG PHE A 20 -0.132 -0.348 -7.808 1.00 45.45 C ATOM 313 CD1 PHE A 20 0.759 -1.196 -8.428 1.00 10.31 C ATOM 314 CD2 PHE A 20 0.037 1.019 -7.967 1.00 43.33 C ATOM 315 CE1 PHE A 20 1.801 -0.700 -9.190 1.00 53.23 C ATOM 316 CE2 PHE A 20 1.075 1.524 -8.723 1.00 14.31 C ATOM 317 CZ PHE A 20 1.959 0.662 -9.336 1.00 14.33 C ATOM 0 H PHE A 20 -1.240 -3.413 -5.540 1.00 0.45 H new ATOM 0 HA PHE A 20 -0.093 -0.761 -5.232 1.00 63.30 H new ATOM 0 HB2 PHE A 20 -1.740 -1.705 -7.525 1.00 0.31 H new ATOM 0 HB3 PHE A 20 -2.036 -0.092 -6.906 1.00 0.31 H new ATOM 0 HD1 PHE A 20 0.642 -2.264 -8.317 1.00 10.31 H new ATOM 0 HD2 PHE A 20 -0.654 1.699 -7.492 1.00 43.33 H new ATOM 0 HE1 PHE A 20 2.490 -1.379 -9.670 1.00 53.23 H new ATOM 0 HE2 PHE A 20 1.195 2.592 -8.834 1.00 14.31 H new ATOM 0 HZ PHE A 20 2.773 1.052 -9.929 1.00 14.33 H new ATOM 327 N ILE A 21 -2.323 0.129 -4.391 1.00 24.13 N ATOM 328 CA ILE A 21 -3.374 0.569 -3.530 1.00 51.11 C ATOM 329 C ILE A 21 -3.965 1.842 -4.124 1.00 20.42 C ATOM 330 O ILE A 21 -3.226 2.725 -4.584 1.00 1.34 O ATOM 331 CB ILE A 21 -2.850 0.866 -2.077 1.00 42.52 C ATOM 332 CG1 ILE A 21 -2.167 -0.375 -1.477 1.00 1.04 C ATOM 333 CG2 ILE A 21 -3.990 1.320 -1.180 1.00 52.20 C ATOM 334 CD1 ILE A 21 -1.579 -0.161 -0.095 1.00 71.30 C ATOM 0 H ILE A 21 -1.766 0.892 -4.775 1.00 24.13 H new ATOM 0 HA ILE A 21 -4.124 -0.219 -3.454 1.00 51.11 H new ATOM 0 HB ILE A 21 -2.115 1.668 -2.142 1.00 42.52 H new ATOM 0 HG12 ILE A 21 -2.893 -1.186 -1.428 1.00 1.04 H new ATOM 0 HG13 ILE A 21 -1.373 -0.699 -2.150 1.00 1.04 H new ATOM 0 HG21 ILE A 21 -3.608 1.521 -0.179 1.00 52.20 H new ATOM 0 HG22 ILE A 21 -4.434 2.228 -1.588 1.00 52.20 H new ATOM 0 HG23 ILE A 21 -4.747 0.537 -1.129 1.00 52.20 H new ATOM 0 HD11 ILE A 21 -1.118 -1.086 0.251 1.00 71.30 H new ATOM 0 HD12 ILE A 21 -0.826 0.626 -0.138 1.00 71.30 H new ATOM 0 HD13 ILE A 21 -2.370 0.131 0.596 1.00 71.30 H new ATOM 346 N GLU A 22 -5.263 1.909 -4.159 1.00 23.12 N ATOM 347 CA GLU A 22 -5.977 3.076 -4.630 1.00 71.40 C ATOM 348 C GLU A 22 -7.077 3.283 -3.639 1.00 75.50 C ATOM 349 O GLU A 22 -7.619 2.313 -3.141 1.00 62.11 O ATOM 350 CB GLU A 22 -6.611 2.831 -6.036 1.00 24.33 C ATOM 351 CG GLU A 22 -7.705 1.754 -6.037 1.00 34.15 C ATOM 352 CD GLU A 22 -8.379 1.530 -7.375 1.00 13.22 C ATOM 353 OE1 GLU A 22 -7.791 0.871 -8.243 1.00 62.32 O ATOM 354 OE2 GLU A 22 -9.526 1.994 -7.564 1.00 62.23 O ATOM 0 H GLU A 22 -5.871 1.147 -3.858 1.00 23.12 H new ATOM 0 HA GLU A 22 -5.306 3.930 -4.721 1.00 71.40 H new ATOM 0 HB2 GLU A 22 -7.033 3.766 -6.403 1.00 24.33 H new ATOM 0 HB3 GLU A 22 -5.826 2.540 -6.734 1.00 24.33 H new ATOM 0 HG2 GLU A 22 -7.268 0.812 -5.705 1.00 34.15 H new ATOM 0 HG3 GLU A 22 -8.465 2.028 -5.305 1.00 34.15 H new ATOM 361 N GLN A 23 -7.407 4.482 -3.292 1.00 65.33 N ATOM 362 CA GLN A 23 -8.528 4.597 -2.400 1.00 12.51 C ATOM 363 C GLN A 23 -9.764 4.438 -3.168 1.00 63.42 C ATOM 364 O GLN A 23 -9.850 4.880 -4.319 1.00 42.22 O ATOM 365 CB GLN A 23 -8.563 5.839 -1.499 1.00 22.13 C ATOM 366 CG GLN A 23 -8.648 7.162 -2.184 1.00 61.14 C ATOM 367 CD GLN A 23 -8.655 8.311 -1.181 1.00 21.05 C ATOM 368 OE1 GLN A 23 -9.701 8.771 -0.761 1.00 33.05 O ATOM 369 NE2 GLN A 23 -7.497 8.716 -0.734 1.00 53.50 N ATOM 0 H GLN A 23 -6.956 5.349 -3.585 1.00 65.33 H new ATOM 0 HA GLN A 23 -8.415 3.791 -1.675 1.00 12.51 H new ATOM 0 HB2 GLN A 23 -9.417 5.748 -0.827 1.00 22.13 H new ATOM 0 HB3 GLN A 23 -7.667 5.834 -0.878 1.00 22.13 H new ATOM 0 HG2 GLN A 23 -7.803 7.276 -2.864 1.00 61.14 H new ATOM 0 HG3 GLN A 23 -9.553 7.201 -2.791 1.00 61.14 H new ATOM 0 HE21 GLN A 23 -6.637 8.312 -1.105 1.00 53.50 H new ATOM 0 HE22 GLN A 23 -7.452 9.437 -0.013 1.00 53.50 H new ATOM 378 N ASP A 24 -10.703 3.802 -2.551 1.00 33.44 N ATOM 379 CA ASP A 24 -12.014 3.487 -3.155 1.00 24.41 C ATOM 380 C ASP A 24 -12.711 4.731 -3.691 1.00 31.55 C ATOM 381 O ASP A 24 -13.604 4.658 -4.521 1.00 32.24 O ATOM 382 CB ASP A 24 -12.888 2.813 -2.131 1.00 61.55 C ATOM 383 CG ASP A 24 -14.200 2.329 -2.703 1.00 24.13 C ATOM 384 OD1 ASP A 24 -14.209 1.268 -3.385 1.00 43.45 O ATOM 385 OD2 ASP A 24 -15.240 2.984 -2.475 1.00 24.51 O ATOM 0 H ASP A 24 -10.607 3.467 -1.592 1.00 33.44 H new ATOM 0 HA ASP A 24 -11.841 2.820 -4.000 1.00 24.41 H new ATOM 0 HB2 ASP A 24 -12.350 1.967 -1.703 1.00 61.55 H new ATOM 0 HB3 ASP A 24 -13.088 3.509 -1.317 1.00 61.55 H new ATOM 390 N ASN A 25 -12.267 5.865 -3.234 1.00 61.25 N ATOM 391 CA ASN A 25 -12.811 7.138 -3.650 1.00 72.43 C ATOM 392 C ASN A 25 -12.278 7.552 -5.028 1.00 73.43 C ATOM 393 O ASN A 25 -12.629 8.611 -5.541 1.00 62.34 O ATOM 394 CB ASN A 25 -12.473 8.208 -2.618 1.00 32.24 C ATOM 395 CG ASN A 25 -12.993 7.860 -1.245 1.00 52.34 C ATOM 396 OD1 ASN A 25 -12.293 7.247 -0.436 1.00 60.31 O ATOM 397 ND2 ASN A 25 -14.215 8.203 -0.989 1.00 43.54 N ATOM 0 H ASN A 25 -11.510 5.940 -2.555 1.00 61.25 H new ATOM 0 HA ASN A 25 -13.893 7.034 -3.726 1.00 72.43 H new ATOM 0 HB2 ASN A 25 -11.392 8.338 -2.573 1.00 32.24 H new ATOM 0 HB3 ASN A 25 -12.896 9.162 -2.934 1.00 32.24 H new ATOM 0 HD21 ASN A 25 -14.633 7.966 -0.089 1.00 43.54 H new ATOM 0 HD22 ASN A 25 -14.759 8.710 -1.687 1.00 43.54 H new ATOM 404 N GLY A 26 -11.420 6.714 -5.614 1.00 33.55 N ATOM 405 CA GLY A 26 -10.850 7.004 -6.912 1.00 3.54 C ATOM 406 C GLY A 26 -9.800 8.075 -6.812 1.00 75.34 C ATOM 407 O GLY A 26 -9.727 8.975 -7.652 1.00 12.24 O ATOM 0 H GLY A 26 -11.111 5.833 -5.203 1.00 33.55 H new ATOM 0 HA2 GLY A 26 -10.412 6.098 -7.331 1.00 3.54 H new ATOM 0 HA3 GLY A 26 -11.637 7.324 -7.595 1.00 3.54 H new ATOM 411 N GLY A 27 -8.985 7.977 -5.783 1.00 51.11 N ATOM 412 CA GLY A 27 -7.985 8.983 -5.532 1.00 63.44 C ATOM 413 C GLY A 27 -6.671 8.713 -6.236 1.00 54.15 C ATOM 414 O GLY A 27 -6.641 8.395 -7.427 1.00 30.14 O ATOM 0 H GLY A 27 -8.998 7.211 -5.110 1.00 51.11 H new ATOM 0 HA2 GLY A 27 -8.367 9.953 -5.851 1.00 63.44 H new ATOM 0 HA3 GLY A 27 -7.807 9.048 -4.459 1.00 63.44 H new ATOM 418 N LYS A 28 -5.599 8.827 -5.500 1.00 14.52 N ATOM 419 CA LYS A 28 -4.272 8.649 -6.034 1.00 23.01 C ATOM 420 C LYS A 28 -3.839 7.194 -6.018 1.00 64.22 C ATOM 421 O LYS A 28 -4.312 6.408 -5.188 1.00 31.02 O ATOM 422 CB LYS A 28 -3.295 9.499 -5.254 1.00 21.41 C ATOM 423 CG LYS A 28 -3.222 9.190 -3.784 1.00 11.51 C ATOM 424 CD LYS A 28 -2.289 10.147 -3.140 1.00 51.41 C ATOM 425 CE LYS A 28 -2.151 9.900 -1.645 1.00 71.13 C ATOM 426 NZ LYS A 28 -1.261 10.889 -1.007 1.00 53.24 N ATOM 0 H LYS A 28 -5.620 9.048 -4.504 1.00 14.52 H new ATOM 0 HA LYS A 28 -4.285 8.966 -7.077 1.00 23.01 H new ATOM 0 HB2 LYS A 28 -2.302 9.375 -5.686 1.00 21.41 H new ATOM 0 HB3 LYS A 28 -3.568 10.547 -5.377 1.00 21.41 H new ATOM 0 HG2 LYS A 28 -4.211 9.266 -3.333 1.00 11.51 H new ATOM 0 HG3 LYS A 28 -2.879 8.167 -3.630 1.00 11.51 H new ATOM 0 HD2 LYS A 28 -1.309 10.069 -3.611 1.00 51.41 H new ATOM 0 HD3 LYS A 28 -2.643 11.164 -3.307 1.00 51.41 H new ATOM 0 HE2 LYS A 28 -3.135 9.941 -1.177 1.00 71.13 H new ATOM 0 HE3 LYS A 28 -1.760 8.897 -1.477 1.00 71.13 H new ATOM 0 HZ1 LYS A 28 -1.178 10.678 0.008 1.00 53.24 H new ATOM 0 HZ2 LYS A 28 -0.320 10.844 -1.448 1.00 53.24 H new ATOM 0 HZ3 LYS A 28 -1.656 11.843 -1.131 1.00 53.24 H new ATOM 440 N ASP A 29 -2.959 6.839 -6.940 1.00 33.51 N ATOM 441 CA ASP A 29 -2.412 5.485 -7.021 1.00 75.25 C ATOM 442 C ASP A 29 -1.034 5.447 -6.421 1.00 63.11 C ATOM 443 O ASP A 29 -0.171 6.286 -6.742 1.00 23.10 O ATOM 444 CB ASP A 29 -2.323 4.978 -8.468 1.00 43.44 C ATOM 445 CG ASP A 29 -3.655 4.769 -9.141 1.00 33.20 C ATOM 446 OD1 ASP A 29 -4.248 5.742 -9.629 1.00 2.24 O ATOM 447 OD2 ASP A 29 -4.109 3.608 -9.242 1.00 13.24 O ATOM 0 H ASP A 29 -2.602 7.475 -7.653 1.00 33.51 H new ATOM 0 HA ASP A 29 -3.093 4.838 -6.468 1.00 75.25 H new ATOM 0 HB2 ASP A 29 -1.742 5.690 -9.054 1.00 43.44 H new ATOM 0 HB3 ASP A 29 -1.774 4.036 -8.476 1.00 43.44 H new ATOM 452 N VAL A 30 -0.827 4.509 -5.559 1.00 2.31 N ATOM 453 CA VAL A 30 0.447 4.288 -4.918 1.00 52.14 C ATOM 454 C VAL A 30 0.711 2.792 -4.854 1.00 43.14 C ATOM 455 O VAL A 30 -0.230 2.002 -4.692 1.00 3.50 O ATOM 456 CB VAL A 30 0.490 4.953 -3.494 1.00 4.11 C ATOM 457 CG1 VAL A 30 -0.709 4.575 -2.667 1.00 60.21 C ATOM 458 CG2 VAL A 30 1.737 4.565 -2.737 1.00 20.21 C ATOM 0 H VAL A 30 -1.551 3.853 -5.266 1.00 2.31 H new ATOM 0 HA VAL A 30 1.237 4.761 -5.502 1.00 52.14 H new ATOM 0 HB VAL A 30 0.488 6.030 -3.662 1.00 4.11 H new ATOM 0 HG11 VAL A 30 -0.643 5.054 -1.690 1.00 60.21 H new ATOM 0 HG12 VAL A 30 -1.617 4.904 -3.172 1.00 60.21 H new ATOM 0 HG13 VAL A 30 -0.736 3.493 -2.539 1.00 60.21 H new ATOM 0 HG21 VAL A 30 1.732 5.043 -1.758 1.00 20.21 H new ATOM 0 HG22 VAL A 30 1.765 3.483 -2.612 1.00 20.21 H new ATOM 0 HG23 VAL A 30 2.616 4.888 -3.294 1.00 20.21 H new ATOM 468 N PHE A 31 1.953 2.383 -5.025 1.00 22.11 N ATOM 469 CA PHE A 31 2.254 0.982 -4.967 1.00 64.21 C ATOM 470 C PHE A 31 2.674 0.566 -3.595 1.00 62.13 C ATOM 471 O PHE A 31 3.242 1.344 -2.846 1.00 11.44 O ATOM 472 CB PHE A 31 3.253 0.507 -6.042 1.00 44.25 C ATOM 473 CG PHE A 31 4.600 1.160 -6.063 1.00 5.02 C ATOM 474 CD1 PHE A 31 5.641 0.671 -5.290 1.00 51.52 C ATOM 475 CD2 PHE A 31 4.836 2.239 -6.886 1.00 65.41 C ATOM 476 CE1 PHE A 31 6.889 1.254 -5.338 1.00 14.55 C ATOM 477 CE2 PHE A 31 6.073 2.830 -6.936 1.00 2.41 C ATOM 478 CZ PHE A 31 7.107 2.335 -6.162 1.00 41.12 C ATOM 0 H PHE A 31 2.750 2.994 -5.202 1.00 22.11 H new ATOM 0 HA PHE A 31 1.319 0.474 -5.202 1.00 64.21 H new ATOM 0 HB2 PHE A 31 3.400 -0.566 -5.916 1.00 44.25 H new ATOM 0 HB3 PHE A 31 2.792 0.653 -7.019 1.00 44.25 H new ATOM 0 HD1 PHE A 31 5.472 -0.177 -4.642 1.00 51.52 H new ATOM 0 HD2 PHE A 31 4.036 2.625 -7.500 1.00 65.41 H new ATOM 0 HE1 PHE A 31 7.693 0.864 -4.731 1.00 14.55 H new ATOM 0 HE2 PHE A 31 6.239 3.681 -7.579 1.00 2.41 H new ATOM 0 HZ PHE A 31 8.083 2.795 -6.204 1.00 41.12 H new ATOM 488 N VAL A 32 2.377 -0.636 -3.262 1.00 52.34 N ATOM 489 CA VAL A 32 2.729 -1.158 -1.997 1.00 25.34 C ATOM 490 C VAL A 32 3.889 -2.121 -2.157 1.00 11.23 C ATOM 491 O VAL A 32 3.874 -3.008 -3.016 1.00 12.32 O ATOM 492 CB VAL A 32 1.518 -1.832 -1.275 1.00 14.11 C ATOM 493 CG1 VAL A 32 0.912 -2.964 -2.085 1.00 41.52 C ATOM 494 CG2 VAL A 32 1.914 -2.322 0.097 1.00 11.45 C ATOM 0 H VAL A 32 1.879 -1.290 -3.866 1.00 52.34 H new ATOM 0 HA VAL A 32 3.036 -0.331 -1.357 1.00 25.34 H new ATOM 0 HB VAL A 32 0.751 -1.064 -1.171 1.00 14.11 H new ATOM 0 HG11 VAL A 32 0.075 -3.396 -1.537 1.00 41.52 H new ATOM 0 HG12 VAL A 32 0.559 -2.579 -3.041 1.00 41.52 H new ATOM 0 HG13 VAL A 32 1.666 -3.731 -2.259 1.00 41.52 H new ATOM 0 HG21 VAL A 32 1.054 -2.787 0.579 1.00 11.45 H new ATOM 0 HG22 VAL A 32 2.718 -3.053 0.004 1.00 11.45 H new ATOM 0 HG23 VAL A 32 2.256 -1.480 0.699 1.00 11.45 H new ATOM 504 N HIS A 33 4.904 -1.922 -1.378 1.00 12.11 N ATOM 505 CA HIS A 33 6.036 -2.782 -1.422 1.00 41.40 C ATOM 506 C HIS A 33 6.081 -3.603 -0.152 1.00 53.05 C ATOM 507 O HIS A 33 5.643 -3.147 0.901 1.00 4.14 O ATOM 508 CB HIS A 33 7.322 -1.984 -1.641 1.00 2.15 C ATOM 509 CG HIS A 33 8.519 -2.857 -1.774 1.00 42.40 C ATOM 510 ND1 HIS A 33 8.587 -3.883 -2.673 1.00 73.30 N ATOM 511 CD2 HIS A 33 9.648 -2.914 -1.065 1.00 64.10 C ATOM 512 CE1 HIS A 33 9.698 -4.529 -2.501 1.00 55.23 C ATOM 513 NE2 HIS A 33 10.364 -3.964 -1.540 1.00 41.32 N ATOM 0 H HIS A 33 4.969 -1.164 -0.699 1.00 12.11 H new ATOM 0 HA HIS A 33 5.949 -3.462 -2.269 1.00 41.40 H new ATOM 0 HB2 HIS A 33 7.219 -1.375 -2.539 1.00 2.15 H new ATOM 0 HB3 HIS A 33 7.467 -1.299 -0.806 1.00 2.15 H new ATOM 0 HD1 HIS A 33 7.876 -4.106 -3.370 1.00 73.30 H new ATOM 0 HD2 HIS A 33 9.937 -2.250 -0.264 1.00 64.10 H new ATOM 0 HE1 HIS A 33 10.017 -5.394 -3.064 1.00 55.23 H new ATOM 522 N LYS A 34 6.626 -4.796 -0.245 1.00 11.40 N ATOM 523 CA LYS A 34 6.622 -5.737 0.856 1.00 52.41 C ATOM 524 C LYS A 34 7.406 -5.258 2.074 1.00 44.11 C ATOM 525 O LYS A 34 7.199 -5.749 3.152 1.00 50.05 O ATOM 526 CB LYS A 34 7.049 -7.127 0.400 1.00 54.21 C ATOM 527 CG LYS A 34 7.051 -8.168 1.502 1.00 4.32 C ATOM 528 CD LYS A 34 7.329 -9.512 0.950 1.00 12.50 C ATOM 529 CE LYS A 34 7.392 -10.569 2.037 1.00 21.23 C ATOM 530 NZ LYS A 34 8.462 -10.303 3.015 1.00 71.40 N ATOM 0 H LYS A 34 7.085 -5.143 -1.087 1.00 11.40 H new ATOM 0 HA LYS A 34 5.588 -5.804 1.195 1.00 52.41 H new ATOM 0 HB2 LYS A 34 6.381 -7.457 -0.396 1.00 54.21 H new ATOM 0 HB3 LYS A 34 8.049 -7.065 -0.028 1.00 54.21 H new ATOM 0 HG2 LYS A 34 7.803 -7.913 2.249 1.00 4.32 H new ATOM 0 HG3 LYS A 34 6.086 -8.170 2.009 1.00 4.32 H new ATOM 0 HD2 LYS A 34 6.554 -9.777 0.231 1.00 12.50 H new ATOM 0 HD3 LYS A 34 8.274 -9.493 0.407 1.00 12.50 H new ATOM 0 HE2 LYS A 34 6.433 -10.613 2.554 1.00 21.23 H new ATOM 0 HE3 LYS A 34 7.554 -11.546 1.582 1.00 21.23 H new ATOM 0 HZ1 LYS A 34 8.648 -11.164 3.568 1.00 71.40 H new ATOM 0 HZ2 LYS A 34 9.328 -10.020 2.514 1.00 71.40 H new ATOM 0 HZ3 LYS A 34 8.166 -9.538 3.654 1.00 71.40 H new ATOM 544 N SER A 35 8.284 -4.293 1.900 1.00 74.52 N ATOM 545 CA SER A 35 8.996 -3.697 3.040 1.00 52.25 C ATOM 546 C SER A 35 7.985 -3.130 4.069 1.00 25.53 C ATOM 547 O SER A 35 8.257 -3.093 5.270 1.00 54.53 O ATOM 548 CB SER A 35 9.983 -2.612 2.563 1.00 45.10 C ATOM 549 OG SER A 35 10.721 -2.056 3.638 1.00 51.13 O ATOM 0 H SER A 35 8.529 -3.898 0.992 1.00 74.52 H new ATOM 0 HA SER A 35 9.578 -4.475 3.533 1.00 52.25 H new ATOM 0 HB2 SER A 35 10.671 -3.042 1.835 1.00 45.10 H new ATOM 0 HB3 SER A 35 9.433 -1.821 2.053 1.00 45.10 H new ATOM 0 HG SER A 35 11.336 -1.374 3.295 1.00 51.13 H new ATOM 555 N ALA A 36 6.802 -2.740 3.590 1.00 31.30 N ATOM 556 CA ALA A 36 5.760 -2.273 4.472 1.00 55.52 C ATOM 557 C ALA A 36 5.112 -3.440 5.187 1.00 75.13 C ATOM 558 O ALA A 36 4.724 -3.334 6.346 1.00 62.01 O ATOM 559 CB ALA A 36 4.735 -1.511 3.715 1.00 72.33 C ATOM 0 H ALA A 36 6.554 -2.742 2.601 1.00 31.30 H new ATOM 0 HA ALA A 36 6.211 -1.611 5.211 1.00 55.52 H new ATOM 0 HB1 ALA A 36 3.958 -1.168 4.398 1.00 72.33 H new ATOM 0 HB2 ALA A 36 5.202 -0.651 3.235 1.00 72.33 H new ATOM 0 HB3 ALA A 36 4.291 -2.154 2.955 1.00 72.33 H new ATOM 565 N VAL A 37 4.989 -4.566 4.484 1.00 1.12 N ATOM 566 CA VAL A 37 4.486 -5.778 5.102 1.00 21.42 C ATOM 567 C VAL A 37 5.512 -6.267 6.085 1.00 64.13 C ATOM 568 O VAL A 37 5.179 -6.703 7.136 1.00 13.30 O ATOM 569 CB VAL A 37 4.128 -6.924 4.081 1.00 70.31 C ATOM 570 CG1 VAL A 37 3.694 -8.188 4.838 1.00 70.45 C ATOM 571 CG2 VAL A 37 2.987 -6.468 3.182 1.00 73.41 C ATOM 0 H VAL A 37 5.230 -4.657 3.497 1.00 1.12 H new ATOM 0 HA VAL A 37 3.547 -5.524 5.593 1.00 21.42 H new ATOM 0 HB VAL A 37 5.009 -7.147 3.479 1.00 70.31 H new ATOM 0 HG11 VAL A 37 3.449 -8.974 4.124 1.00 70.45 H new ATOM 0 HG12 VAL A 37 4.507 -8.524 5.482 1.00 70.45 H new ATOM 0 HG13 VAL A 37 2.818 -7.965 5.447 1.00 70.45 H new ATOM 0 HG21 VAL A 37 2.740 -7.261 2.476 1.00 73.41 H new ATOM 0 HG22 VAL A 37 2.113 -6.240 3.791 1.00 73.41 H new ATOM 0 HG23 VAL A 37 3.290 -5.576 2.634 1.00 73.41 H new ATOM 581 N ASP A 38 6.766 -6.130 5.729 1.00 42.43 N ATOM 582 CA ASP A 38 7.882 -6.523 6.581 1.00 52.15 C ATOM 583 C ASP A 38 7.895 -5.707 7.858 1.00 24.41 C ATOM 584 O ASP A 38 8.259 -6.209 8.923 1.00 22.31 O ATOM 585 CB ASP A 38 9.213 -6.372 5.834 1.00 34.32 C ATOM 586 CG ASP A 38 10.412 -6.740 6.680 1.00 40.13 C ATOM 587 OD1 ASP A 38 10.681 -7.951 6.854 1.00 70.12 O ATOM 588 OD2 ASP A 38 11.102 -5.834 7.183 1.00 33.22 O ATOM 0 H ASP A 38 7.053 -5.739 4.831 1.00 42.43 H new ATOM 0 HA ASP A 38 7.754 -7.572 6.846 1.00 52.15 H new ATOM 0 HB2 ASP A 38 9.197 -7.001 4.944 1.00 34.32 H new ATOM 0 HB3 ASP A 38 9.318 -5.342 5.494 1.00 34.32 H new ATOM 593 N ALA A 39 7.448 -4.450 7.750 1.00 74.33 N ATOM 594 CA ALA A 39 7.396 -3.542 8.898 1.00 32.22 C ATOM 595 C ALA A 39 6.537 -4.089 10.049 1.00 42.15 C ATOM 596 O ALA A 39 6.806 -3.811 11.215 1.00 75.35 O ATOM 597 CB ALA A 39 6.883 -2.173 8.473 1.00 51.44 C ATOM 0 H ALA A 39 7.117 -4.040 6.877 1.00 74.33 H new ATOM 0 HA ALA A 39 8.416 -3.451 9.270 1.00 32.22 H new ATOM 0 HB1 ALA A 39 6.851 -1.512 9.339 1.00 51.44 H new ATOM 0 HB2 ALA A 39 7.549 -1.753 7.720 1.00 51.44 H new ATOM 0 HB3 ALA A 39 5.881 -2.273 8.056 1.00 51.44 H new ATOM 603 N ALA A 40 5.516 -4.861 9.728 1.00 42.43 N ATOM 604 CA ALA A 40 4.620 -5.370 10.765 1.00 53.42 C ATOM 605 C ALA A 40 4.371 -6.881 10.661 1.00 2.23 C ATOM 606 O ALA A 40 4.037 -7.535 11.648 1.00 61.11 O ATOM 607 CB ALA A 40 3.305 -4.617 10.712 1.00 43.54 C ATOM 0 H ALA A 40 5.284 -5.149 8.777 1.00 42.43 H new ATOM 0 HA ALA A 40 5.112 -5.205 11.724 1.00 53.42 H new ATOM 0 HB1 ALA A 40 2.637 -4.997 11.485 1.00 43.54 H new ATOM 0 HB2 ALA A 40 3.487 -3.555 10.879 1.00 43.54 H new ATOM 0 HB3 ALA A 40 2.845 -4.757 9.734 1.00 43.54 H new ATOM 613 N GLY A 41 4.553 -7.418 9.496 1.00 20.02 N ATOM 614 CA GLY A 41 4.241 -8.803 9.223 1.00 61.21 C ATOM 615 C GLY A 41 2.773 -8.952 8.942 1.00 44.02 C ATOM 616 O GLY A 41 2.077 -9.741 9.574 1.00 52.22 O ATOM 0 H GLY A 41 4.926 -6.910 8.694 1.00 20.02 H new ATOM 0 HA2 GLY A 41 4.821 -9.154 8.369 1.00 61.21 H new ATOM 0 HA3 GLY A 41 4.522 -9.423 10.075 1.00 61.21 H new ATOM 620 N LEU A 42 2.312 -8.174 8.000 1.00 22.34 N ATOM 621 CA LEU A 42 0.920 -8.134 7.633 1.00 1.21 C ATOM 622 C LEU A 42 0.524 -9.363 6.806 1.00 20.41 C ATOM 623 O LEU A 42 1.156 -9.689 5.808 1.00 21.30 O ATOM 624 CB LEU A 42 0.631 -6.823 6.882 1.00 23.31 C ATOM 625 CG LEU A 42 -0.782 -6.591 6.415 1.00 24.21 C ATOM 626 CD1 LEU A 42 -1.741 -6.653 7.575 1.00 32.21 C ATOM 627 CD2 LEU A 42 -0.887 -5.256 5.727 1.00 35.14 C ATOM 0 H LEU A 42 2.900 -7.541 7.458 1.00 22.34 H new ATOM 0 HA LEU A 42 0.311 -8.161 8.537 1.00 1.21 H new ATOM 0 HB2 LEU A 42 0.912 -5.994 7.531 1.00 23.31 H new ATOM 0 HB3 LEU A 42 1.285 -6.782 6.011 1.00 23.31 H new ATOM 0 HG LEU A 42 -1.045 -7.377 5.707 1.00 24.21 H new ATOM 0 HD11 LEU A 42 -2.756 -6.483 7.217 1.00 32.21 H new ATOM 0 HD12 LEU A 42 -1.681 -7.635 8.044 1.00 32.21 H new ATOM 0 HD13 LEU A 42 -1.480 -5.886 8.304 1.00 32.21 H new ATOM 0 HD21 LEU A 42 -1.913 -5.098 5.393 1.00 35.14 H new ATOM 0 HD22 LEU A 42 -0.606 -4.465 6.422 1.00 35.14 H new ATOM 0 HD23 LEU A 42 -0.218 -5.237 4.866 1.00 35.14 H new ATOM 639 N HIS A 43 -0.510 -10.037 7.245 1.00 23.25 N ATOM 640 CA HIS A 43 -1.017 -11.225 6.565 1.00 72.01 C ATOM 641 C HIS A 43 -2.289 -10.925 5.806 1.00 33.13 C ATOM 642 O HIS A 43 -2.859 -11.808 5.178 1.00 21.31 O ATOM 643 CB HIS A 43 -1.331 -12.358 7.553 1.00 21.33 C ATOM 644 CG HIS A 43 -0.165 -12.979 8.244 1.00 3.30 C ATOM 645 ND1 HIS A 43 0.368 -14.181 7.861 1.00 55.11 N ATOM 646 CD2 HIS A 43 0.534 -12.594 9.334 1.00 24.14 C ATOM 647 CE1 HIS A 43 1.339 -14.514 8.677 1.00 72.30 C ATOM 648 NE2 HIS A 43 1.463 -13.571 9.583 1.00 51.40 N ATOM 0 H HIS A 43 -1.032 -9.785 8.085 1.00 23.25 H new ATOM 0 HA HIS A 43 -0.228 -11.535 5.880 1.00 72.01 H new ATOM 0 HB2 HIS A 43 -2.011 -11.971 8.312 1.00 21.33 H new ATOM 0 HB3 HIS A 43 -1.866 -13.141 7.016 1.00 21.33 H new ATOM 0 HD2 HIS A 43 0.388 -11.687 9.902 1.00 24.14 H new ATOM 0 HE1 HIS A 43 1.936 -15.412 8.615 1.00 72.30 H new ATOM 0 HE2 HIS A 43 2.139 -13.566 10.346 1.00 51.40 H new ATOM 657 N SER A 44 -2.751 -9.705 5.861 1.00 32.22 N ATOM 658 CA SER A 44 -4.011 -9.410 5.238 1.00 23.04 C ATOM 659 C SER A 44 -3.947 -8.309 4.204 1.00 41.30 C ATOM 660 O SER A 44 -4.220 -7.150 4.488 1.00 31.35 O ATOM 661 CB SER A 44 -5.033 -9.048 6.245 1.00 4.33 C ATOM 662 OG SER A 44 -5.188 -10.061 7.258 1.00 43.32 O ATOM 0 H SER A 44 -2.289 -8.919 6.318 1.00 32.22 H new ATOM 0 HA SER A 44 -4.285 -10.330 4.722 1.00 23.04 H new ATOM 0 HB2 SER A 44 -4.756 -8.105 6.717 1.00 4.33 H new ATOM 0 HB3 SER A 44 -5.989 -8.887 5.747 1.00 4.33 H new ATOM 0 HG SER A 44 -5.871 -9.778 7.901 1.00 43.32 H new ATOM 668 N LEU A 45 -3.504 -8.658 3.087 1.00 60.22 N ATOM 669 CA LEU A 45 -3.658 -7.837 1.905 1.00 51.33 C ATOM 670 C LEU A 45 -4.334 -8.648 0.866 1.00 14.32 C ATOM 671 O LEU A 45 -3.797 -9.635 0.356 1.00 42.43 O ATOM 672 CB LEU A 45 -2.384 -7.294 1.321 1.00 3.24 C ATOM 673 CG LEU A 45 -1.525 -6.399 2.207 1.00 12.35 C ATOM 674 CD1 LEU A 45 -0.239 -6.042 1.488 1.00 42.31 C ATOM 675 CD2 LEU A 45 -2.289 -5.125 2.549 1.00 14.14 C ATOM 0 H LEU A 45 -3.008 -9.534 2.924 1.00 60.22 H new ATOM 0 HA LEU A 45 -4.233 -6.967 2.221 1.00 51.33 H new ATOM 0 HB2 LEU A 45 -1.773 -8.139 1.005 1.00 3.24 H new ATOM 0 HB3 LEU A 45 -2.639 -6.732 0.423 1.00 3.24 H new ATOM 0 HG LEU A 45 -1.286 -6.934 3.126 1.00 12.35 H new ATOM 0 HD11 LEU A 45 0.370 -5.402 2.127 1.00 42.31 H new ATOM 0 HD12 LEU A 45 0.313 -6.953 1.255 1.00 42.31 H new ATOM 0 HD13 LEU A 45 -0.473 -5.514 0.564 1.00 42.31 H new ATOM 0 HD21 LEU A 45 -1.671 -4.489 3.182 1.00 14.14 H new ATOM 0 HD22 LEU A 45 -2.537 -4.592 1.631 1.00 14.14 H new ATOM 0 HD23 LEU A 45 -3.206 -5.382 3.078 1.00 14.14 H new ATOM 687 N GLU A 46 -5.469 -8.239 0.566 1.00 44.20 N ATOM 688 CA GLU A 46 -6.315 -8.860 -0.388 1.00 13.01 C ATOM 689 C GLU A 46 -7.187 -7.799 -0.961 1.00 43.11 C ATOM 690 O GLU A 46 -7.373 -6.741 -0.338 1.00 70.55 O ATOM 691 CB GLU A 46 -7.134 -10.001 0.237 1.00 3.44 C ATOM 692 CG GLU A 46 -7.976 -9.586 1.417 1.00 40.23 C ATOM 693 CD GLU A 46 -8.774 -10.712 1.984 1.00 34.24 C ATOM 694 OE1 GLU A 46 -8.261 -11.423 2.882 1.00 1.25 O ATOM 695 OE2 GLU A 46 -9.931 -10.900 1.561 1.00 12.45 O ATOM 0 H GLU A 46 -5.885 -7.410 0.992 1.00 44.20 H new ATOM 0 HA GLU A 46 -5.722 -9.324 -1.176 1.00 13.01 H new ATOM 0 HB2 GLU A 46 -7.785 -10.426 -0.527 1.00 3.44 H new ATOM 0 HB3 GLU A 46 -6.453 -10.792 0.552 1.00 3.44 H new ATOM 0 HG2 GLU A 46 -7.329 -9.179 2.194 1.00 40.23 H new ATOM 0 HG3 GLU A 46 -8.651 -8.786 1.112 1.00 40.23 H new ATOM 702 N GLU A 47 -7.706 -8.046 -2.115 1.00 52.42 N ATOM 703 CA GLU A 47 -8.474 -7.062 -2.814 1.00 53.44 C ATOM 704 C GLU A 47 -9.749 -6.689 -2.072 1.00 31.02 C ATOM 705 O GLU A 47 -10.339 -7.500 -1.341 1.00 2.12 O ATOM 706 CB GLU A 47 -8.775 -7.479 -4.254 1.00 52.30 C ATOM 707 CG GLU A 47 -9.669 -8.696 -4.426 1.00 43.15 C ATOM 708 CD GLU A 47 -9.100 -9.985 -3.858 1.00 74.51 C ATOM 709 OE1 GLU A 47 -8.080 -10.496 -4.388 1.00 24.31 O ATOM 710 OE2 GLU A 47 -9.666 -10.510 -2.878 1.00 21.02 O ATOM 0 H GLU A 47 -7.612 -8.936 -2.605 1.00 52.42 H new ATOM 0 HA GLU A 47 -7.852 -6.168 -2.857 1.00 53.44 H new ATOM 0 HB2 GLU A 47 -9.241 -6.636 -4.765 1.00 52.30 H new ATOM 0 HB3 GLU A 47 -7.829 -7.674 -4.759 1.00 52.30 H new ATOM 0 HG2 GLU A 47 -10.628 -8.496 -3.948 1.00 43.15 H new ATOM 0 HG3 GLU A 47 -9.866 -8.838 -5.489 1.00 43.15 H new ATOM 717 N GLY A 48 -10.142 -5.469 -2.247 1.00 43.13 N ATOM 718 CA GLY A 48 -11.324 -4.953 -1.591 1.00 43.24 C ATOM 719 C GLY A 48 -11.071 -4.427 -0.176 1.00 63.24 C ATOM 720 O GLY A 48 -11.880 -3.667 0.351 1.00 10.14 O ATOM 0 H GLY A 48 -9.662 -4.795 -2.844 1.00 43.13 H new ATOM 0 HA2 GLY A 48 -11.742 -4.149 -2.197 1.00 43.24 H new ATOM 0 HA3 GLY A 48 -12.075 -5.741 -1.546 1.00 43.24 H new ATOM 724 N GLN A 49 -9.959 -4.823 0.438 1.00 52.55 N ATOM 725 CA GLN A 49 -9.639 -4.386 1.792 1.00 12.30 C ATOM 726 C GLN A 49 -9.260 -2.936 1.830 1.00 24.22 C ATOM 727 O GLN A 49 -8.491 -2.469 0.995 1.00 45.22 O ATOM 728 CB GLN A 49 -8.482 -5.202 2.354 1.00 33.33 C ATOM 729 CG GLN A 49 -8.806 -6.633 2.719 1.00 42.34 C ATOM 730 CD GLN A 49 -9.462 -6.830 4.091 1.00 23.04 C ATOM 731 OE1 GLN A 49 -10.211 -5.876 4.554 1.00 11.13 O flip ATOM 732 NE2 GLN A 49 -9.270 -7.868 4.733 1.00 14.54 N flip ATOM 0 H GLN A 49 -9.267 -5.444 0.020 1.00 52.55 H new ATOM 0 HA GLN A 49 -10.535 -4.535 2.395 1.00 12.30 H new ATOM 0 HB2 GLN A 49 -7.675 -5.207 1.621 1.00 33.33 H new ATOM 0 HB3 GLN A 49 -8.103 -4.697 3.242 1.00 33.33 H new ATOM 0 HG2 GLN A 49 -9.468 -7.044 1.956 1.00 42.34 H new ATOM 0 HG3 GLN A 49 -7.885 -7.215 2.689 1.00 42.34 H new ATOM 0 HE21 GLN A 49 -8.677 -8.604 4.348 1.00 14.54 H new ATOM 0 HE22 GLN A 49 -9.704 -7.989 5.648 1.00 14.54 H new ATOM 741 N ASP A 50 -9.793 -2.231 2.782 1.00 51.12 N ATOM 742 CA ASP A 50 -9.395 -0.858 2.998 1.00 73.22 C ATOM 743 C ASP A 50 -8.180 -0.876 3.860 1.00 4.21 C ATOM 744 O ASP A 50 -8.117 -1.620 4.858 1.00 35.40 O ATOM 745 CB ASP A 50 -10.483 0.007 3.652 1.00 53.43 C ATOM 746 CG ASP A 50 -11.716 0.208 2.802 1.00 2.24 C ATOM 747 OD1 ASP A 50 -11.729 1.116 1.933 1.00 4.40 O ATOM 748 OD2 ASP A 50 -12.707 -0.509 3.012 1.00 64.22 O ATOM 0 H ASP A 50 -10.505 -2.577 3.425 1.00 51.12 H new ATOM 0 HA ASP A 50 -9.204 -0.404 2.025 1.00 73.22 H new ATOM 0 HB2 ASP A 50 -10.778 -0.453 4.595 1.00 53.43 H new ATOM 0 HB3 ASP A 50 -10.059 0.982 3.892 1.00 53.43 H new ATOM 753 N VAL A 51 -7.223 -0.105 3.511 1.00 41.41 N ATOM 754 CA VAL A 51 -6.001 -0.111 4.201 1.00 54.12 C ATOM 755 C VAL A 51 -5.528 1.302 4.480 1.00 31.12 C ATOM 756 O VAL A 51 -5.755 2.232 3.703 1.00 14.51 O ATOM 757 CB VAL A 51 -4.931 -0.941 3.441 1.00 61.25 C ATOM 758 CG1 VAL A 51 -4.543 -0.318 2.100 1.00 64.32 C ATOM 759 CG2 VAL A 51 -3.728 -1.229 4.313 1.00 31.20 C ATOM 0 H VAL A 51 -7.270 0.552 2.732 1.00 41.41 H new ATOM 0 HA VAL A 51 -6.158 -0.597 5.164 1.00 54.12 H new ATOM 0 HB VAL A 51 -5.390 -1.900 3.201 1.00 61.25 H new ATOM 0 HG11 VAL A 51 -3.792 -0.941 1.613 1.00 64.32 H new ATOM 0 HG12 VAL A 51 -5.425 -0.248 1.463 1.00 64.32 H new ATOM 0 HG13 VAL A 51 -4.135 0.679 2.266 1.00 64.32 H new ATOM 0 HG21 VAL A 51 -3.000 -1.812 3.748 1.00 31.20 H new ATOM 0 HG22 VAL A 51 -3.274 -0.290 4.629 1.00 31.20 H new ATOM 0 HG23 VAL A 51 -4.042 -1.794 5.191 1.00 31.20 H new ATOM 769 N ILE A 52 -4.913 1.438 5.590 1.00 33.44 N ATOM 770 CA ILE A 52 -4.404 2.680 6.080 1.00 45.00 C ATOM 771 C ILE A 52 -2.906 2.605 5.959 1.00 42.35 C ATOM 772 O ILE A 52 -2.298 1.603 6.384 1.00 51.24 O ATOM 773 CB ILE A 52 -4.736 2.840 7.584 1.00 22.34 C ATOM 774 CG1 ILE A 52 -6.225 2.583 7.846 1.00 0.51 C ATOM 775 CG2 ILE A 52 -4.351 4.243 8.058 1.00 13.03 C ATOM 776 CD1 ILE A 52 -6.583 2.534 9.317 1.00 73.50 C ATOM 0 H ILE A 52 -4.737 0.655 6.220 1.00 33.44 H new ATOM 0 HA ILE A 52 -4.837 3.511 5.522 1.00 45.00 H new ATOM 0 HB ILE A 52 -4.160 2.103 8.144 1.00 22.34 H new ATOM 0 HG12 ILE A 52 -6.810 3.366 7.364 1.00 0.51 H new ATOM 0 HG13 ILE A 52 -6.510 1.640 7.380 1.00 0.51 H new ATOM 0 HG21 ILE A 52 -4.588 4.347 9.117 1.00 13.03 H new ATOM 0 HG22 ILE A 52 -3.282 4.397 7.908 1.00 13.03 H new ATOM 0 HG23 ILE A 52 -4.908 4.986 7.487 1.00 13.03 H new ATOM 0 HD11 ILE A 52 -7.652 2.349 9.425 1.00 73.50 H new ATOM 0 HD12 ILE A 52 -6.025 1.732 9.801 1.00 73.50 H new ATOM 0 HD13 ILE A 52 -6.330 3.486 9.785 1.00 73.50 H new ATOM 788 N PHE A 53 -2.308 3.594 5.385 1.00 71.14 N ATOM 789 CA PHE A 53 -0.868 3.596 5.256 1.00 3.05 C ATOM 790 C PHE A 53 -0.327 4.978 5.346 1.00 65.52 C ATOM 791 O PHE A 53 -1.076 5.935 5.506 1.00 73.41 O ATOM 792 CB PHE A 53 -0.428 2.959 3.924 1.00 61.42 C ATOM 793 CG PHE A 53 -1.047 3.565 2.703 1.00 43.22 C ATOM 794 CD1 PHE A 53 -2.273 3.124 2.253 1.00 53.04 C ATOM 795 CD2 PHE A 53 -0.398 4.567 2.000 1.00 62.25 C ATOM 796 CE1 PHE A 53 -2.842 3.662 1.135 1.00 23.01 C ATOM 797 CE2 PHE A 53 -0.963 5.102 0.874 1.00 24.22 C ATOM 798 CZ PHE A 53 -2.188 4.650 0.440 1.00 50.32 C ATOM 0 H PHE A 53 -2.779 4.411 4.996 1.00 71.14 H new ATOM 0 HA PHE A 53 -0.469 3.003 6.079 1.00 3.05 H new ATOM 0 HB2 PHE A 53 0.656 3.037 3.841 1.00 61.42 H new ATOM 0 HB3 PHE A 53 -0.671 1.897 3.948 1.00 61.42 H new ATOM 0 HD1 PHE A 53 -2.790 2.343 2.792 1.00 53.04 H new ATOM 0 HD2 PHE A 53 0.560 4.928 2.343 1.00 62.25 H new ATOM 0 HE1 PHE A 53 -3.806 3.311 0.797 1.00 23.01 H new ATOM 0 HE2 PHE A 53 -0.448 5.878 0.327 1.00 24.22 H new ATOM 0 HZ PHE A 53 -2.636 5.072 -0.448 1.00 50.32 H new ATOM 808 N ASP A 54 0.962 5.076 5.248 1.00 5.20 N ATOM 809 CA ASP A 54 1.636 6.328 5.187 1.00 45.12 C ATOM 810 C ASP A 54 2.371 6.324 3.885 1.00 14.24 C ATOM 811 O ASP A 54 2.624 5.244 3.320 1.00 41.14 O ATOM 812 CB ASP A 54 2.626 6.541 6.353 1.00 40.44 C ATOM 813 CG ASP A 54 1.998 6.569 7.748 1.00 64.44 C ATOM 814 OD1 ASP A 54 0.821 6.963 7.908 1.00 61.03 O ATOM 815 OD2 ASP A 54 2.710 6.244 8.721 1.00 43.51 O ATOM 0 H ASP A 54 1.585 4.269 5.208 1.00 5.20 H new ATOM 0 HA ASP A 54 0.915 7.142 5.267 1.00 45.12 H new ATOM 0 HB2 ASP A 54 3.372 5.747 6.324 1.00 40.44 H new ATOM 0 HB3 ASP A 54 3.155 7.480 6.192 1.00 40.44 H new ATOM 820 N LEU A 55 2.708 7.460 3.379 1.00 72.42 N ATOM 821 CA LEU A 55 3.333 7.504 2.089 1.00 33.33 C ATOM 822 C LEU A 55 4.601 8.322 2.046 1.00 45.20 C ATOM 823 O LEU A 55 4.661 9.475 2.495 1.00 54.24 O ATOM 824 CB LEU A 55 2.320 7.928 1.022 1.00 65.30 C ATOM 825 CG LEU A 55 2.801 8.115 -0.421 1.00 2.15 C ATOM 826 CD1 LEU A 55 3.553 6.903 -0.885 1.00 22.11 C ATOM 827 CD2 LEU A 55 1.605 8.344 -1.334 1.00 74.10 C ATOM 0 H LEU A 55 2.566 8.365 3.827 1.00 72.42 H new ATOM 0 HA LEU A 55 3.664 6.490 1.865 1.00 33.33 H new ATOM 0 HB2 LEU A 55 1.523 7.185 1.010 1.00 65.30 H new ATOM 0 HB3 LEU A 55 1.874 8.869 1.346 1.00 65.30 H new ATOM 0 HG LEU A 55 3.464 8.979 -0.457 1.00 2.15 H new ATOM 0 HD11 LEU A 55 3.887 7.053 -1.912 1.00 22.11 H new ATOM 0 HD12 LEU A 55 4.418 6.743 -0.241 1.00 22.11 H new ATOM 0 HD13 LEU A 55 2.901 6.031 -0.840 1.00 22.11 H new ATOM 0 HD21 LEU A 55 1.950 8.477 -2.359 1.00 74.10 H new ATOM 0 HD22 LEU A 55 0.939 7.483 -1.284 1.00 74.10 H new ATOM 0 HD23 LEU A 55 1.068 9.237 -1.013 1.00 74.10 H new ATOM 839 N GLU A 56 5.599 7.688 1.503 1.00 35.52 N ATOM 840 CA GLU A 56 6.892 8.243 1.248 1.00 63.21 C ATOM 841 C GLU A 56 7.238 8.060 -0.184 1.00 43.01 C ATOM 842 O GLU A 56 6.958 7.014 -0.789 1.00 54.14 O ATOM 843 CB GLU A 56 7.949 7.649 2.153 1.00 11.35 C ATOM 844 CG GLU A 56 7.926 8.244 3.528 1.00 64.10 C ATOM 845 CD GLU A 56 8.482 9.655 3.551 1.00 35.30 C ATOM 846 OE1 GLU A 56 7.848 10.578 3.012 1.00 61.55 O ATOM 847 OE2 GLU A 56 9.579 9.851 4.117 1.00 42.42 O ATOM 0 H GLU A 56 5.526 6.714 1.210 1.00 35.52 H new ATOM 0 HA GLU A 56 6.860 9.310 1.470 1.00 63.21 H new ATOM 0 HB2 GLU A 56 7.799 6.572 2.224 1.00 11.35 H new ATOM 0 HB3 GLU A 56 8.932 7.805 1.709 1.00 11.35 H new ATOM 0 HG2 GLU A 56 6.902 8.253 3.901 1.00 64.10 H new ATOM 0 HG3 GLU A 56 8.506 7.616 4.204 1.00 64.10 H new ATOM 854 N GLU A 57 7.817 9.057 -0.726 1.00 42.45 N ATOM 855 CA GLU A 57 8.117 9.076 -2.121 1.00 51.03 C ATOM 856 C GLU A 57 9.570 8.777 -2.382 1.00 53.13 C ATOM 857 O GLU A 57 10.452 9.194 -1.641 1.00 24.23 O ATOM 858 CB GLU A 57 7.689 10.399 -2.737 1.00 43.32 C ATOM 859 CG GLU A 57 6.186 10.624 -2.656 1.00 73.10 C ATOM 860 CD GLU A 57 5.762 11.954 -3.201 1.00 75.31 C ATOM 861 OE1 GLU A 57 5.645 12.095 -4.425 1.00 45.44 O ATOM 862 OE2 GLU A 57 5.524 12.882 -2.402 1.00 45.24 O ATOM 0 H GLU A 57 8.103 9.895 -0.220 1.00 42.45 H new ATOM 0 HA GLU A 57 7.546 8.282 -2.603 1.00 51.03 H new ATOM 0 HB2 GLU A 57 8.203 11.215 -2.229 1.00 43.32 H new ATOM 0 HB3 GLU A 57 8.001 10.427 -3.781 1.00 43.32 H new ATOM 0 HG2 GLU A 57 5.676 9.833 -3.206 1.00 73.10 H new ATOM 0 HG3 GLU A 57 5.868 10.546 -1.616 1.00 73.10 H new ATOM 869 N LYS A 58 9.802 8.058 -3.445 1.00 50.01 N ATOM 870 CA LYS A 58 11.120 7.633 -3.868 1.00 4.44 C ATOM 871 C LYS A 58 11.691 8.704 -4.821 1.00 33.11 C ATOM 872 O LYS A 58 12.469 8.407 -5.731 1.00 3.22 O ATOM 873 CB LYS A 58 10.965 6.273 -4.600 1.00 13.34 C ATOM 874 CG LYS A 58 12.264 5.518 -5.001 1.00 5.25 C ATOM 875 CD LYS A 58 13.051 4.872 -3.825 1.00 42.45 C ATOM 876 CE LYS A 58 13.660 5.858 -2.833 1.00 30.12 C ATOM 877 NZ LYS A 58 14.546 5.171 -1.863 1.00 75.32 N ATOM 0 H LYS A 58 9.058 7.738 -4.065 1.00 50.01 H new ATOM 0 HA LYS A 58 11.798 7.515 -3.023 1.00 4.44 H new ATOM 0 HB2 LYS A 58 10.377 5.613 -3.962 1.00 13.34 H new ATOM 0 HB3 LYS A 58 10.383 6.443 -5.505 1.00 13.34 H new ATOM 0 HG2 LYS A 58 12.004 4.736 -5.714 1.00 5.25 H new ATOM 0 HG3 LYS A 58 12.924 6.215 -5.518 1.00 5.25 H new ATOM 0 HD2 LYS A 58 12.381 4.204 -3.284 1.00 42.45 H new ATOM 0 HD3 LYS A 58 13.850 4.256 -4.238 1.00 42.45 H new ATOM 0 HE2 LYS A 58 14.227 6.616 -3.373 1.00 30.12 H new ATOM 0 HE3 LYS A 58 12.864 6.376 -2.298 1.00 30.12 H new ATOM 0 HZ1 LYS A 58 14.944 5.868 -1.202 1.00 75.32 H new ATOM 0 HZ2 LYS A 58 13.998 4.465 -1.332 1.00 75.32 H new ATOM 0 HZ3 LYS A 58 15.318 4.697 -2.373 1.00 75.32 H new ATOM 891 N GLN A 59 11.301 9.959 -4.567 1.00 24.03 N ATOM 892 CA GLN A 59 11.704 11.110 -5.373 1.00 52.14 C ATOM 893 C GLN A 59 11.203 10.994 -6.819 1.00 42.24 C ATOM 894 O GLN A 59 11.713 11.649 -7.731 1.00 33.30 O ATOM 895 CB GLN A 59 13.235 11.380 -5.314 1.00 25.53 C ATOM 896 CG GLN A 59 13.774 11.897 -3.958 1.00 42.32 C ATOM 897 CD GLN A 59 13.738 10.894 -2.801 1.00 31.42 C ATOM 898 OE1 GLN A 59 13.864 9.684 -2.988 1.00 44.02 O ATOM 899 NE2 GLN A 59 13.582 11.398 -1.601 1.00 44.13 N ATOM 0 H GLN A 59 10.690 10.203 -3.787 1.00 24.03 H new ATOM 0 HA GLN A 59 11.222 11.980 -4.928 1.00 52.14 H new ATOM 0 HB2 GLN A 59 13.758 10.457 -5.564 1.00 25.53 H new ATOM 0 HB3 GLN A 59 13.487 12.108 -6.085 1.00 25.53 H new ATOM 0 HG2 GLN A 59 14.804 12.224 -4.099 1.00 42.32 H new ATOM 0 HG3 GLN A 59 13.197 12.776 -3.670 1.00 42.32 H new ATOM 0 HE21 GLN A 59 13.480 12.406 -1.480 1.00 44.13 H new ATOM 0 HE22 GLN A 59 13.562 10.782 -0.788 1.00 44.13 H new ATOM 908 N GLY A 60 10.169 10.211 -6.997 1.00 10.12 N ATOM 909 CA GLY A 60 9.588 9.983 -8.290 1.00 41.24 C ATOM 910 C GLY A 60 8.506 8.955 -8.178 1.00 40.33 C ATOM 911 O GLY A 60 7.395 9.141 -8.666 1.00 75.31 O ATOM 0 H GLY A 60 9.705 9.710 -6.239 1.00 10.12 H new ATOM 0 HA2 GLY A 60 9.181 10.913 -8.686 1.00 41.24 H new ATOM 0 HA3 GLY A 60 10.353 9.646 -8.990 1.00 41.24 H new ATOM 915 N LYS A 61 8.833 7.866 -7.530 1.00 71.21 N ATOM 916 CA LYS A 61 7.866 6.835 -7.257 1.00 63.11 C ATOM 917 C LYS A 61 7.231 7.040 -5.897 1.00 64.04 C ATOM 918 O LYS A 61 7.741 7.796 -5.084 1.00 64.41 O ATOM 919 CB LYS A 61 8.486 5.443 -7.370 1.00 52.23 C ATOM 920 CG LYS A 61 8.928 5.091 -8.772 1.00 71.54 C ATOM 921 CD LYS A 61 7.757 5.162 -9.731 1.00 54.12 C ATOM 922 CE LYS A 61 8.182 4.862 -11.132 1.00 14.30 C ATOM 923 NZ LYS A 61 7.059 4.991 -12.082 1.00 72.43 N ATOM 0 H LYS A 61 9.770 7.670 -7.179 1.00 71.21 H new ATOM 0 HA LYS A 61 7.083 6.906 -8.012 1.00 63.11 H new ATOM 0 HB2 LYS A 61 9.344 5.381 -6.701 1.00 52.23 H new ATOM 0 HB3 LYS A 61 7.762 4.703 -7.029 1.00 52.23 H new ATOM 0 HG2 LYS A 61 9.712 5.776 -9.095 1.00 71.54 H new ATOM 0 HG3 LYS A 61 9.355 4.088 -8.784 1.00 71.54 H new ATOM 0 HD2 LYS A 61 6.988 4.453 -9.422 1.00 54.12 H new ATOM 0 HD3 LYS A 61 7.310 6.155 -9.689 1.00 54.12 H new ATOM 0 HE2 LYS A 61 8.984 5.540 -11.422 1.00 14.30 H new ATOM 0 HE3 LYS A 61 8.586 3.851 -11.181 1.00 14.30 H new ATOM 0 HZ1 LYS A 61 7.391 4.776 -13.044 1.00 72.43 H new ATOM 0 HZ2 LYS A 61 6.304 4.326 -11.819 1.00 72.43 H new ATOM 0 HZ3 LYS A 61 6.690 5.963 -12.053 1.00 72.43 H new ATOM 937 N ALA A 62 6.142 6.374 -5.659 1.00 52.01 N ATOM 938 CA ALA A 62 5.411 6.496 -4.420 1.00 55.52 C ATOM 939 C ALA A 62 5.072 5.116 -3.898 1.00 24.13 C ATOM 940 O ALA A 62 4.378 4.353 -4.575 1.00 41.43 O ATOM 941 CB ALA A 62 4.130 7.302 -4.661 1.00 52.53 C ATOM 0 H ALA A 62 5.726 5.721 -6.323 1.00 52.01 H new ATOM 0 HA ALA A 62 6.021 7.014 -3.680 1.00 55.52 H new ATOM 0 HB1 ALA A 62 3.577 7.395 -3.726 1.00 52.53 H new ATOM 0 HB2 ALA A 62 4.389 8.295 -5.030 1.00 52.53 H new ATOM 0 HB3 ALA A 62 3.512 6.791 -5.399 1.00 52.53 H new ATOM 947 N TYR A 63 5.558 4.785 -2.721 1.00 62.13 N ATOM 948 CA TYR A 63 5.281 3.484 -2.138 1.00 70.11 C ATOM 949 C TYR A 63 4.660 3.589 -0.753 1.00 71.40 C ATOM 950 O TYR A 63 5.111 4.364 0.102 1.00 31.02 O ATOM 951 CB TYR A 63 6.514 2.565 -2.140 1.00 63.13 C ATOM 952 CG TYR A 63 7.748 3.103 -1.439 1.00 14.44 C ATOM 953 CD1 TYR A 63 8.653 3.924 -2.106 1.00 52.23 C ATOM 954 CD2 TYR A 63 8.012 2.779 -0.119 1.00 61.34 C ATOM 955 CE1 TYR A 63 9.778 4.404 -1.468 1.00 63.54 C ATOM 956 CE2 TYR A 63 9.135 3.255 0.523 1.00 13.30 C ATOM 957 CZ TYR A 63 10.014 4.066 -0.156 1.00 41.32 C ATOM 958 OH TYR A 63 11.135 4.538 0.483 1.00 44.13 O ATOM 0 H TYR A 63 6.144 5.393 -2.149 1.00 62.13 H new ATOM 0 HA TYR A 63 4.538 3.017 -2.784 1.00 70.11 H new ATOM 0 HB2 TYR A 63 6.238 1.620 -1.672 1.00 63.13 H new ATOM 0 HB3 TYR A 63 6.776 2.344 -3.175 1.00 63.13 H new ATOM 0 HD1 TYR A 63 8.472 4.189 -3.137 1.00 52.23 H new ATOM 0 HD2 TYR A 63 7.325 2.141 0.418 1.00 61.34 H new ATOM 0 HE1 TYR A 63 10.470 5.042 -1.997 1.00 63.54 H new ATOM 0 HE2 TYR A 63 9.324 2.993 1.554 1.00 13.30 H new ATOM 0 HH TYR A 63 11.150 4.206 1.405 1.00 44.13 H new ATOM 968 N ALA A 64 3.619 2.824 -0.564 1.00 3.43 N ATOM 969 CA ALA A 64 2.868 2.778 0.677 1.00 22.14 C ATOM 970 C ALA A 64 3.642 2.032 1.737 1.00 33.04 C ATOM 971 O ALA A 64 4.200 0.952 1.487 1.00 22.22 O ATOM 972 CB ALA A 64 1.515 2.118 0.437 1.00 21.11 C ATOM 0 H ALA A 64 3.255 2.197 -1.282 1.00 3.43 H new ATOM 0 HA ALA A 64 2.706 3.796 1.030 1.00 22.14 H new ATOM 0 HB1 ALA A 64 0.955 2.086 1.372 1.00 21.11 H new ATOM 0 HB2 ALA A 64 0.956 2.692 -0.302 1.00 21.11 H new ATOM 0 HB3 ALA A 64 1.665 1.103 0.069 1.00 21.11 H new ATOM 978 N VAL A 65 3.675 2.614 2.908 1.00 13.52 N ATOM 979 CA VAL A 65 4.376 2.057 4.058 1.00 64.54 C ATOM 980 C VAL A 65 3.486 2.130 5.275 1.00 43.05 C ATOM 981 O VAL A 65 2.457 2.787 5.230 1.00 14.13 O ATOM 982 CB VAL A 65 5.738 2.773 4.360 1.00 3.21 C ATOM 983 CG1 VAL A 65 6.726 2.580 3.225 1.00 44.01 C ATOM 984 CG2 VAL A 65 5.535 4.261 4.640 1.00 4.13 C ATOM 0 H VAL A 65 3.212 3.502 3.102 1.00 13.52 H new ATOM 0 HA VAL A 65 4.612 1.021 3.813 1.00 64.54 H new ATOM 0 HB VAL A 65 6.152 2.311 5.256 1.00 3.21 H new ATOM 0 HG11 VAL A 65 7.660 3.088 3.465 1.00 44.01 H new ATOM 0 HG12 VAL A 65 6.917 1.516 3.086 1.00 44.01 H new ATOM 0 HG13 VAL A 65 6.312 2.997 2.307 1.00 44.01 H new ATOM 0 HG21 VAL A 65 6.499 4.727 4.845 1.00 4.13 H new ATOM 0 HG22 VAL A 65 5.080 4.736 3.771 1.00 4.13 H new ATOM 0 HG23 VAL A 65 4.881 4.383 5.504 1.00 4.13 H new ATOM 994 N ASN A 66 3.893 1.465 6.359 1.00 51.23 N ATOM 995 CA ASN A 66 3.132 1.421 7.603 1.00 53.31 C ATOM 996 C ASN A 66 1.718 0.957 7.366 1.00 32.31 C ATOM 997 O ASN A 66 0.758 1.708 7.550 1.00 3.23 O ATOM 998 CB ASN A 66 3.151 2.757 8.342 1.00 32.21 C ATOM 999 CG ASN A 66 4.534 3.178 8.783 1.00 2.32 C ATOM 1000 OD1 ASN A 66 5.403 2.341 9.038 1.00 12.34 O ATOM 1001 ND2 ASN A 66 4.746 4.462 8.903 1.00 2.42 N ATOM 0 H ASN A 66 4.766 0.939 6.395 1.00 51.23 H new ATOM 0 HA ASN A 66 3.626 0.692 8.245 1.00 53.31 H new ATOM 0 HB2 ASN A 66 2.733 3.528 7.695 1.00 32.21 H new ATOM 0 HB3 ASN A 66 2.503 2.690 9.216 1.00 32.21 H new ATOM 0 HD21 ASN A 66 5.655 4.802 9.217 1.00 2.42 H new ATOM 0 HD22 ASN A 66 4.002 5.124 8.683 1.00 2.42 H new ATOM 1008 N LEU A 67 1.585 -0.263 6.903 1.00 23.32 N ATOM 1009 CA LEU A 67 0.289 -0.758 6.548 1.00 34.21 C ATOM 1010 C LEU A 67 -0.478 -1.260 7.718 1.00 53.25 C ATOM 1011 O LEU A 67 0.050 -1.960 8.585 1.00 5.51 O ATOM 1012 CB LEU A 67 0.337 -1.848 5.514 1.00 61.41 C ATOM 1013 CG LEU A 67 0.976 -1.536 4.185 1.00 20.11 C ATOM 1014 CD1 LEU A 67 0.641 -2.621 3.256 1.00 12.13 C ATOM 1015 CD2 LEU A 67 0.511 -0.220 3.630 1.00 72.03 C ATOM 0 H LEU A 67 2.353 -0.920 6.766 1.00 23.32 H new ATOM 0 HA LEU A 67 -0.220 0.109 6.128 1.00 34.21 H new ATOM 0 HB2 LEU A 67 0.866 -2.696 5.948 1.00 61.41 H new ATOM 0 HB3 LEU A 67 -0.686 -2.173 5.324 1.00 61.41 H new ATOM 0 HG LEU A 67 2.055 -1.457 4.321 1.00 20.11 H new ATOM 0 HD11 LEU A 67 1.092 -2.420 2.284 1.00 12.13 H new ATOM 0 HD12 LEU A 67 1.023 -3.564 3.645 1.00 12.13 H new ATOM 0 HD13 LEU A 67 -0.442 -2.686 3.147 1.00 12.13 H new ATOM 0 HD21 LEU A 67 0.997 -0.037 2.672 1.00 72.03 H new ATOM 0 HD22 LEU A 67 -0.570 -0.246 3.489 1.00 72.03 H new ATOM 0 HD23 LEU A 67 0.767 0.579 4.326 1.00 72.03 H new ATOM 1027 N ARG A 68 -1.701 -0.888 7.738 1.00 34.23 N ATOM 1028 CA ARG A 68 -2.639 -1.298 8.693 1.00 63.31 C ATOM 1029 C ARG A 68 -3.978 -1.401 8.015 1.00 14.30 C ATOM 1030 O ARG A 68 -4.382 -0.486 7.334 1.00 71.03 O ATOM 1031 CB ARG A 68 -2.659 -0.218 9.718 1.00 3.10 C ATOM 1032 CG ARG A 68 -3.702 -0.302 10.764 1.00 34.13 C ATOM 1033 CD ARG A 68 -3.404 0.746 11.770 1.00 60.10 C ATOM 1034 NE ARG A 68 -3.336 2.106 11.200 1.00 44.33 N ATOM 1035 CZ ARG A 68 -3.606 3.223 11.879 1.00 50.15 C ATOM 1036 NH1 ARG A 68 -4.187 3.153 13.073 1.00 35.22 N ATOM 1037 NH2 ARG A 68 -3.319 4.413 11.348 1.00 10.41 N ATOM 0 H ARG A 68 -2.091 -0.251 7.043 1.00 34.23 H new ATOM 0 HA ARG A 68 -2.402 -2.262 9.144 1.00 63.31 H new ATOM 0 HB2 ARG A 68 -1.687 -0.201 10.210 1.00 3.10 H new ATOM 0 HB3 ARG A 68 -2.773 0.736 9.203 1.00 3.10 H new ATOM 0 HG2 ARG A 68 -4.692 -0.150 10.333 1.00 34.13 H new ATOM 0 HG3 ARG A 68 -3.704 -1.289 11.226 1.00 34.13 H new ATOM 0 HD2 ARG A 68 -4.170 0.723 12.545 1.00 60.10 H new ATOM 0 HD3 ARG A 68 -2.455 0.515 12.253 1.00 60.10 H new ATOM 0 HE ARG A 68 -3.064 2.198 10.221 1.00 44.33 H new ATOM 0 HH11 ARG A 68 -4.427 2.245 13.471 1.00 35.22 H new ATOM 0 HH12 ARG A 68 -4.393 4.007 13.591 1.00 35.22 H new ATOM 0 HH21 ARG A 68 -2.893 4.469 10.423 1.00 10.41 H new ATOM 0 HH22 ARG A 68 -3.526 5.266 11.867 1.00 10.41 H new ATOM 1051 N ILE A 69 -4.654 -2.493 8.186 1.00 62.13 N ATOM 1052 CA ILE A 69 -5.939 -2.658 7.604 1.00 23.43 C ATOM 1053 C ILE A 69 -6.990 -1.972 8.432 1.00 51.55 C ATOM 1054 O ILE A 69 -6.832 -1.834 9.652 1.00 64.04 O ATOM 1055 CB ILE A 69 -6.328 -4.147 7.391 1.00 12.51 C ATOM 1056 CG1 ILE A 69 -6.335 -5.003 8.704 1.00 2.00 C ATOM 1057 CG2 ILE A 69 -5.476 -4.784 6.315 1.00 3.43 C ATOM 1058 CD1 ILE A 69 -5.011 -5.161 9.457 1.00 40.51 C ATOM 0 H ILE A 69 -4.328 -3.290 8.732 1.00 62.13 H new ATOM 0 HA ILE A 69 -5.886 -2.196 6.618 1.00 23.43 H new ATOM 0 HB ILE A 69 -7.364 -4.136 7.053 1.00 12.51 H new ATOM 0 HG12 ILE A 69 -7.060 -4.562 9.388 1.00 2.00 H new ATOM 0 HG13 ILE A 69 -6.699 -5.999 8.453 1.00 2.00 H new ATOM 0 HG21 ILE A 69 -5.770 -5.826 6.187 1.00 3.43 H new ATOM 0 HG22 ILE A 69 -5.617 -4.249 5.376 1.00 3.43 H new ATOM 0 HG23 ILE A 69 -4.427 -4.736 6.606 1.00 3.43 H new ATOM 0 HD11 ILE A 69 -5.167 -5.777 10.343 1.00 40.51 H new ATOM 0 HD12 ILE A 69 -4.278 -5.639 8.808 1.00 40.51 H new ATOM 0 HD13 ILE A 69 -4.644 -4.180 9.757 1.00 40.51 H new ATOM 1070 N LYS A 70 -8.007 -1.505 7.764 1.00 33.20 N ATOM 1071 CA LYS A 70 -9.143 -0.890 8.403 1.00 52.10 C ATOM 1072 C LYS A 70 -9.837 -1.924 9.300 1.00 3.25 C ATOM 1073 O LYS A 70 -10.581 -2.778 8.767 1.00 38.22 O ATOM 1074 CB LYS A 70 -10.129 -0.401 7.347 1.00 13.45 C ATOM 1075 CG LYS A 70 -11.288 0.394 7.910 1.00 30.41 C ATOM 1076 CD LYS A 70 -12.329 0.707 6.843 1.00 20.43 C ATOM 1077 CE LYS A 70 -13.038 -0.565 6.380 1.00 23.13 C ATOM 1078 NZ LYS A 70 -14.043 -0.314 5.327 1.00 23.31 N ATOM 1079 OXT LYS A 70 -9.656 -1.886 10.535 1.00 38.22 O ATOM 0 H LYS A 70 -8.074 -1.540 6.747 1.00 33.20 H new ATOM 0 HA LYS A 70 -8.806 -0.044 9.001 1.00 52.10 H new ATOM 0 HB2 LYS A 70 -9.595 0.216 6.624 1.00 13.45 H new ATOM 0 HB3 LYS A 70 -10.521 -1.261 6.804 1.00 13.45 H new ATOM 0 HG2 LYS A 70 -11.755 -0.167 8.720 1.00 30.41 H new ATOM 0 HG3 LYS A 70 -10.916 1.324 8.340 1.00 30.41 H new ATOM 0 HD2 LYS A 70 -13.060 1.412 7.239 1.00 20.43 H new ATOM 0 HD3 LYS A 70 -11.849 1.190 5.992 1.00 20.43 H new ATOM 0 HE2 LYS A 70 -12.297 -1.272 6.007 1.00 23.13 H new ATOM 0 HE3 LYS A 70 -13.525 -1.035 7.235 1.00 23.13 H new ATOM 0 HZ1 LYS A 70 -14.797 -1.028 5.390 1.00 23.31 H new ATOM 0 HZ2 LYS A 70 -14.452 0.634 5.456 1.00 23.31 H new ATOM 0 HZ3 LYS A 70 -13.589 -0.371 4.393 1.00 23.31 H new