USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 779 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl -160:sc= -0.224 (180deg=-0.882) USER MOD Set 2.2: A 43 MET CE :methyl -130:sc= -0.875 (180deg=-1.52) USER MOD Set 3.1: A 30 SER OG : rot -71:sc= 0.988 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 SER OG : rot 140:sc= -0.0459 USER MOD Set 4.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.654 K(o=-0.65,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0.879 (180deg=-0.506) USER MOD Single : A 12 SER OG : rot 69:sc= 0.597 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 20:sc= 0.572 USER MOD Single : A 33 ASN : amide:sc=-0.00971 K(o=-0.0097,f=-0.94) USER MOD Single : A 36 HIS : no HE2:sc= -1.1 K(o=-0.67,f=-6.7!) USER MOD Single : A 38 MET CE :methyl 168:sc= -2.39 (180deg=-2.42) USER MOD Single : A 53 SER OG : rot 81:sc= 1.15 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 30:sc= -1.44 USER MOD Single : A 65 TYR OH : rot 94:sc= 1.57 USER MOD Single : A 71 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.2!) USER MOD Single : A 72 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.995 K(o=-0.99,f=-0.0073) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 1.28! (180deg=0.64) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.215 0.302 11.328 1.00 41.25 N ATOM 50 CA GLN A 4 4.758 -0.552 10.267 1.00 44.52 C ATOM 51 C GLN A 4 4.106 -1.942 10.296 1.00 75.55 C ATOM 52 O GLN A 4 3.976 -2.562 11.354 1.00 54.44 O ATOM 53 CB GLN A 4 6.280 -0.683 10.421 1.00 62.44 C ATOM 54 CG GLN A 4 6.992 0.653 10.609 1.00 4.33 C ATOM 55 CD GLN A 4 8.507 0.538 10.621 1.00 64.41 C ATOM 56 OE1 GLN A 4 9.211 1.469 10.246 1.00 0.41 O ATOM 57 NE2 GLN A 4 9.026 -0.599 11.040 1.00 22.11 N ATOM 0 HA GLN A 4 4.534 -0.087 9.307 1.00 44.52 H new ATOM 0 HB2 GLN A 4 6.496 -1.324 11.276 1.00 62.44 H new ATOM 0 HB3 GLN A 4 6.685 -1.180 9.539 1.00 62.44 H new ATOM 0 HG2 GLN A 4 6.694 1.330 9.809 1.00 4.33 H new ATOM 0 HG3 GLN A 4 6.663 1.102 11.546 1.00 4.33 H new ATOM 0 HE21 GLN A 4 8.415 -1.356 11.346 1.00 22.11 H new ATOM 0 HE22 GLN A 4 10.038 -0.721 11.058 1.00 22.11 H new ATOM 66 N SER A 5 3.701 -2.426 9.130 1.00 72.12 N ATOM 67 CA SER A 5 3.048 -3.736 9.011 1.00 41.23 C ATOM 68 C SER A 5 3.865 -4.685 8.127 1.00 44.55 C ATOM 69 O SER A 5 4.425 -4.279 7.114 1.00 11.21 O ATOM 70 CB SER A 5 1.637 -3.576 8.431 1.00 2.31 C ATOM 71 OG SER A 5 1.664 -2.911 7.176 1.00 12.00 O ATOM 0 H SER A 5 3.811 -1.933 8.244 1.00 72.12 H new ATOM 0 HA SER A 5 2.982 -4.167 10.010 1.00 41.23 H new ATOM 0 HB2 SER A 5 1.177 -4.557 8.315 1.00 2.31 H new ATOM 0 HB3 SER A 5 1.017 -3.014 9.129 1.00 2.31 H new ATOM 0 HG SER A 5 1.021 -3.333 6.569 1.00 12.00 H new ATOM 77 N ASP A 6 3.946 -5.948 8.528 1.00 0.22 N ATOM 78 CA ASP A 6 4.655 -6.962 7.743 1.00 25.23 C ATOM 79 C ASP A 6 3.775 -7.493 6.594 1.00 42.12 C ATOM 80 O ASP A 6 2.579 -7.733 6.779 1.00 2.44 O ATOM 81 CB ASP A 6 5.094 -8.115 8.655 1.00 43.15 C ATOM 82 CG ASP A 6 5.755 -9.246 7.889 1.00 70.14 C ATOM 83 OD1 ASP A 6 6.615 -8.969 7.031 1.00 12.54 O ATOM 84 OD2 ASP A 6 5.395 -10.417 8.126 1.00 32.14 O ATOM 0 H ASP A 6 3.531 -6.298 9.391 1.00 0.22 H new ATOM 0 HA ASP A 6 5.537 -6.498 7.301 1.00 25.23 H new ATOM 0 HB2 ASP A 6 5.787 -7.736 9.406 1.00 43.15 H new ATOM 0 HB3 ASP A 6 4.226 -8.502 9.189 1.00 43.15 H new ATOM 89 N ALA A 7 4.379 -7.686 5.417 1.00 40.52 N ATOM 90 CA ALA A 7 3.654 -8.180 4.237 1.00 12.22 C ATOM 91 C ALA A 7 2.895 -9.481 4.535 1.00 13.23 C ATOM 92 O ALA A 7 1.753 -9.661 4.111 1.00 42.13 O ATOM 93 CB ALA A 7 4.616 -8.378 3.070 1.00 40.43 C ATOM 0 H ALA A 7 5.370 -7.508 5.254 1.00 40.52 H new ATOM 0 HA ALA A 7 2.915 -7.427 3.965 1.00 12.22 H new ATOM 0 HB1 ALA A 7 4.066 -8.744 2.203 1.00 40.43 H new ATOM 0 HB2 ALA A 7 5.090 -7.428 2.824 1.00 40.43 H new ATOM 0 HB3 ALA A 7 5.380 -9.104 3.348 1.00 40.43 H new ATOM 99 N HIS A 8 3.534 -10.381 5.279 1.00 14.41 N ATOM 100 CA HIS A 8 2.911 -11.642 5.674 1.00 31.23 C ATOM 101 C HIS A 8 1.710 -11.417 6.609 1.00 63.55 C ATOM 102 O HIS A 8 0.666 -12.047 6.446 1.00 60.42 O ATOM 103 CB HIS A 8 3.964 -12.553 6.319 1.00 55.24 C ATOM 104 CG HIS A 8 3.397 -13.606 7.211 1.00 14.02 C ATOM 105 ND1 HIS A 8 2.909 -14.809 6.753 1.00 23.40 N ATOM 106 CD2 HIS A 8 3.229 -13.618 8.551 1.00 43.04 C ATOM 107 CE1 HIS A 8 2.464 -15.515 7.770 1.00 55.13 C ATOM 108 NE2 HIS A 8 2.648 -14.819 8.873 1.00 53.44 N ATOM 0 H HIS A 8 4.487 -10.259 5.622 1.00 14.41 H new ATOM 0 HA HIS A 8 2.520 -12.131 4.782 1.00 31.23 H new ATOM 0 HB2 HIS A 8 4.544 -13.034 5.531 1.00 55.24 H new ATOM 0 HB3 HIS A 8 4.656 -11.939 6.895 1.00 55.24 H new ATOM 0 HD2 HIS A 8 3.501 -12.831 9.239 1.00 43.04 H new ATOM 0 HE1 HIS A 8 2.022 -16.499 7.711 1.00 55.13 H new ATOM 0 HE2 HIS A 8 2.399 -15.123 9.814 1.00 53.44 H new ATOM 117 N VAL A 9 1.858 -10.518 7.580 1.00 61.43 N ATOM 118 CA VAL A 9 0.760 -10.194 8.502 1.00 13.25 C ATOM 119 C VAL A 9 -0.426 -9.552 7.759 1.00 40.45 C ATOM 120 O VAL A 9 -1.587 -9.880 8.015 1.00 61.53 O ATOM 121 CB VAL A 9 1.234 -9.255 9.643 1.00 52.11 C ATOM 122 CG1 VAL A 9 0.063 -8.844 10.541 1.00 14.23 C ATOM 123 CG2 VAL A 9 2.339 -9.929 10.459 1.00 24.15 C ATOM 0 H VAL A 9 2.720 -10.001 7.752 1.00 61.43 H new ATOM 0 HA VAL A 9 0.429 -11.135 8.942 1.00 13.25 H new ATOM 0 HB VAL A 9 1.640 -8.348 9.195 1.00 52.11 H new ATOM 0 HG11 VAL A 9 0.424 -8.186 11.332 1.00 14.23 H new ATOM 0 HG12 VAL A 9 -0.685 -8.320 9.946 1.00 14.23 H new ATOM 0 HG13 VAL A 9 -0.385 -9.733 10.985 1.00 14.23 H new ATOM 0 HG21 VAL A 9 2.663 -9.260 11.256 1.00 24.15 H new ATOM 0 HG22 VAL A 9 1.958 -10.853 10.894 1.00 24.15 H new ATOM 0 HG23 VAL A 9 3.185 -10.155 9.809 1.00 24.15 H new ATOM 133 N LEU A 10 -0.128 -8.646 6.827 1.00 62.11 N ATOM 134 CA LEU A 10 -1.168 -8.010 6.008 1.00 23.14 C ATOM 135 C LEU A 10 -1.885 -9.055 5.136 1.00 33.11 C ATOM 136 O LEU A 10 -3.110 -9.035 5.000 1.00 14.13 O ATOM 137 CB LEU A 10 -0.557 -6.906 5.131 1.00 12.12 C ATOM 138 CG LEU A 10 -1.569 -6.069 4.326 1.00 51.05 C ATOM 139 CD1 LEU A 10 -2.536 -5.339 5.257 1.00 32.23 C ATOM 140 CD2 LEU A 10 -0.850 -5.084 3.405 1.00 4.53 C ATOM 0 H LEU A 10 0.821 -8.335 6.619 1.00 62.11 H new ATOM 0 HA LEU A 10 -1.903 -7.558 6.674 1.00 23.14 H new ATOM 0 HB2 LEU A 10 0.019 -6.235 5.769 1.00 12.12 H new ATOM 0 HB3 LEU A 10 0.145 -7.365 4.435 1.00 12.12 H new ATOM 0 HG LEU A 10 -2.150 -6.749 3.704 1.00 51.05 H new ATOM 0 HD11 LEU A 10 -3.240 -4.755 4.665 1.00 32.23 H new ATOM 0 HD12 LEU A 10 -3.082 -6.067 5.857 1.00 32.23 H new ATOM 0 HD13 LEU A 10 -1.976 -4.674 5.914 1.00 32.23 H new ATOM 0 HD21 LEU A 10 -1.585 -4.504 2.847 1.00 4.53 H new ATOM 0 HD22 LEU A 10 -0.234 -4.411 4.002 1.00 4.53 H new ATOM 0 HD23 LEU A 10 -0.217 -5.633 2.708 1.00 4.53 H new ATOM 152 N LYS A 11 -1.109 -9.974 4.560 1.00 22.34 N ATOM 153 CA LYS A 11 -1.669 -11.100 3.807 1.00 13.15 C ATOM 154 C LYS A 11 -2.623 -11.924 4.685 1.00 12.40 C ATOM 155 O LYS A 11 -3.728 -12.278 4.264 1.00 2.14 O ATOM 156 CB LYS A 11 -0.537 -11.993 3.277 1.00 41.45 C ATOM 157 CG LYS A 11 -1.020 -13.244 2.549 1.00 45.25 C ATOM 158 CD LYS A 11 0.129 -14.206 2.232 1.00 4.24 C ATOM 159 CE LYS A 11 -0.385 -15.601 1.876 1.00 74.13 C ATOM 160 NZ LYS A 11 0.721 -16.582 1.687 1.00 41.12 N ATOM 0 H LYS A 11 -0.090 -9.962 4.600 1.00 22.34 H new ATOM 0 HA LYS A 11 -2.235 -10.702 2.965 1.00 13.15 H new ATOM 0 HB2 LYS A 11 0.085 -11.409 2.599 1.00 41.45 H new ATOM 0 HB3 LYS A 11 0.096 -12.293 4.112 1.00 41.45 H new ATOM 0 HG2 LYS A 11 -1.762 -13.756 3.162 1.00 45.25 H new ATOM 0 HG3 LYS A 11 -1.516 -12.955 1.623 1.00 45.25 H new ATOM 0 HD2 LYS A 11 0.716 -13.812 1.402 1.00 4.24 H new ATOM 0 HD3 LYS A 11 0.796 -14.272 3.091 1.00 4.24 H new ATOM 0 HE2 LYS A 11 -1.049 -15.953 2.666 1.00 74.13 H new ATOM 0 HE3 LYS A 11 -0.978 -15.545 0.963 1.00 74.13 H new ATOM 0 HZ1 LYS A 11 0.560 -17.122 0.813 1.00 41.12 H new ATOM 0 HZ2 LYS A 11 1.627 -16.075 1.620 1.00 41.12 H new ATOM 0 HZ3 LYS A 11 0.749 -17.234 2.497 1.00 41.12 H new ATOM 174 N SER A 12 -2.194 -12.204 5.916 1.00 21.10 N ATOM 175 CA SER A 12 -3.014 -12.955 6.872 1.00 51.22 C ATOM 176 C SER A 12 -4.278 -12.172 7.235 1.00 74.51 C ATOM 177 O SER A 12 -5.325 -12.752 7.485 1.00 3.32 O ATOM 178 CB SER A 12 -2.215 -13.281 8.144 1.00 40.14 C ATOM 179 OG SER A 12 -1.034 -14.012 7.838 1.00 34.21 O ATOM 0 H SER A 12 -1.282 -11.922 6.277 1.00 21.10 H new ATOM 0 HA SER A 12 -3.306 -13.891 6.396 1.00 51.22 H new ATOM 0 HB2 SER A 12 -1.951 -12.356 8.657 1.00 40.14 H new ATOM 0 HB3 SER A 12 -2.836 -13.859 8.828 1.00 40.14 H new ATOM 0 HG SER A 12 -0.402 -13.430 7.366 1.00 34.21 H new ATOM 185 N ARG A 13 -4.180 -10.846 7.251 1.00 34.22 N ATOM 186 CA ARG A 13 -5.344 -9.993 7.504 1.00 74.41 C ATOM 187 C ARG A 13 -6.306 -9.983 6.307 1.00 64.34 C ATOM 188 O ARG A 13 -7.520 -9.880 6.476 1.00 1.01 O ATOM 189 CB ARG A 13 -4.906 -8.567 7.854 1.00 31.31 C ATOM 190 CG ARG A 13 -4.264 -8.460 9.232 1.00 33.12 C ATOM 191 CD ARG A 13 -3.870 -7.025 9.579 1.00 54.34 C ATOM 192 NE ARG A 13 -3.467 -6.907 10.976 1.00 40.12 N ATOM 193 CZ ARG A 13 -2.832 -5.889 11.493 1.00 53.12 C ATOM 194 NH1 ARG A 13 -2.538 -4.849 10.781 1.00 32.34 N ATOM 195 NH2 ARG A 13 -2.510 -5.909 12.744 1.00 23.24 N ATOM 0 H ARG A 13 -3.310 -10.337 7.093 1.00 34.22 H new ATOM 0 HA ARG A 13 -5.879 -10.411 8.357 1.00 74.41 H new ATOM 0 HB2 ARG A 13 -4.199 -8.216 7.102 1.00 31.31 H new ATOM 0 HB3 ARG A 13 -5.772 -7.906 7.811 1.00 31.31 H new ATOM 0 HG2 ARG A 13 -4.958 -8.836 9.984 1.00 33.12 H new ATOM 0 HG3 ARG A 13 -3.380 -9.096 9.269 1.00 33.12 H new ATOM 0 HD2 ARG A 13 -3.052 -6.705 8.934 1.00 54.34 H new ATOM 0 HD3 ARG A 13 -4.710 -6.358 9.383 1.00 54.34 H new ATOM 0 HE ARG A 13 -3.699 -7.681 11.599 1.00 40.12 H new ATOM 0 HH11 ARG A 13 -2.803 -4.814 9.797 1.00 32.34 H new ATOM 0 HH12 ARG A 13 -2.042 -4.065 11.204 1.00 32.34 H new ATOM 0 HH21 ARG A 13 -2.752 -6.715 13.320 1.00 23.24 H new ATOM 0 HH22 ARG A 13 -2.014 -5.118 13.156 1.00 23.24 H new ATOM 209 N LEU A 14 -5.763 -10.091 5.100 1.00 70.34 N ATOM 210 CA LEU A 14 -6.580 -10.172 3.889 1.00 64.14 C ATOM 211 C LEU A 14 -7.380 -11.488 3.868 1.00 0.33 C ATOM 212 O LEU A 14 -8.597 -11.486 3.668 1.00 21.01 O ATOM 213 CB LEU A 14 -5.677 -10.059 2.641 1.00 62.20 C ATOM 214 CG LEU A 14 -6.337 -9.455 1.383 1.00 51.42 C ATOM 215 CD1 LEU A 14 -5.299 -9.208 0.292 1.00 24.33 C ATOM 216 CD2 LEU A 14 -7.462 -10.347 0.855 1.00 51.34 C ATOM 0 H LEU A 14 -4.758 -10.125 4.931 1.00 70.34 H new ATOM 0 HA LEU A 14 -7.290 -9.345 3.882 1.00 64.14 H new ATOM 0 HB2 LEU A 14 -4.809 -9.453 2.899 1.00 62.20 H new ATOM 0 HB3 LEU A 14 -5.308 -11.054 2.392 1.00 62.20 H new ATOM 0 HG LEU A 14 -6.775 -8.499 1.671 1.00 51.42 H new ATOM 0 HD11 LEU A 14 -5.787 -8.782 -0.585 1.00 24.33 H new ATOM 0 HD12 LEU A 14 -4.543 -8.514 0.659 1.00 24.33 H new ATOM 0 HD13 LEU A 14 -4.825 -10.151 0.021 1.00 24.33 H new ATOM 0 HD21 LEU A 14 -7.903 -9.890 -0.031 1.00 51.34 H new ATOM 0 HD22 LEU A 14 -7.059 -11.326 0.596 1.00 51.34 H new ATOM 0 HD23 LEU A 14 -8.227 -10.461 1.623 1.00 51.34 H new ATOM 228 N GLU A 15 -6.690 -12.606 4.096 1.00 10.23 N ATOM 229 CA GLU A 15 -7.319 -13.935 4.059 1.00 34.14 C ATOM 230 C GLU A 15 -8.057 -14.266 5.372 1.00 52.54 C ATOM 231 O GLU A 15 -9.235 -14.630 5.366 1.00 0.21 O ATOM 232 CB GLU A 15 -6.251 -15.010 3.802 1.00 14.00 C ATOM 233 CG GLU A 15 -5.364 -14.737 2.593 1.00 13.33 C ATOM 234 CD GLU A 15 -4.299 -15.806 2.405 1.00 61.04 C ATOM 235 OE1 GLU A 15 -3.326 -15.830 3.190 1.00 31.24 O ATOM 236 OE2 GLU A 15 -4.433 -16.633 1.478 1.00 54.32 O ATOM 0 H GLU A 15 -5.693 -12.622 4.309 1.00 10.23 H new ATOM 0 HA GLU A 15 -8.052 -13.923 3.252 1.00 34.14 H new ATOM 0 HB2 GLU A 15 -5.621 -15.099 4.687 1.00 14.00 H new ATOM 0 HB3 GLU A 15 -6.746 -15.972 3.665 1.00 14.00 H new ATOM 0 HG2 GLU A 15 -5.982 -14.682 1.697 1.00 13.33 H new ATOM 0 HG3 GLU A 15 -4.884 -13.765 2.710 1.00 13.33 H new ATOM 243 N TRP A 16 -7.348 -14.140 6.492 1.00 45.03 N ATOM 244 CA TRP A 16 -7.868 -14.538 7.811 1.00 13.50 C ATOM 245 C TRP A 16 -8.485 -13.355 8.582 1.00 51.13 C ATOM 246 O TRP A 16 -9.533 -13.494 9.216 1.00 73.20 O ATOM 247 CB TRP A 16 -6.738 -15.151 8.657 1.00 13.21 C ATOM 248 CG TRP A 16 -6.097 -16.363 8.041 1.00 30.44 C ATOM 249 CD1 TRP A 16 -5.294 -16.400 6.939 1.00 32.03 C ATOM 250 CD2 TRP A 16 -6.200 -17.712 8.506 1.00 40.24 C ATOM 251 NE1 TRP A 16 -4.902 -17.692 6.684 1.00 51.51 N ATOM 252 CE2 TRP A 16 -5.442 -18.514 7.634 1.00 11.34 C ATOM 253 CE3 TRP A 16 -6.859 -18.318 9.577 1.00 34.50 C ATOM 254 CZ2 TRP A 16 -5.330 -19.891 7.797 1.00 71.33 C ATOM 255 CZ3 TRP A 16 -6.746 -19.686 9.740 1.00 40.33 C ATOM 256 CH2 TRP A 16 -5.987 -20.459 8.853 1.00 72.02 C ATOM 0 H TRP A 16 -6.401 -13.762 6.518 1.00 45.03 H new ATOM 0 HA TRP A 16 -8.655 -15.271 7.634 1.00 13.50 H new ATOM 0 HB2 TRP A 16 -5.972 -14.394 8.824 1.00 13.21 H new ATOM 0 HB3 TRP A 16 -7.137 -15.422 9.635 1.00 13.21 H new ATOM 0 HD1 TRP A 16 -5.008 -15.539 6.353 1.00 32.03 H new ATOM 0 HE1 TRP A 16 -4.305 -17.989 5.912 1.00 51.51 H new ATOM 0 HE3 TRP A 16 -7.446 -17.729 10.266 1.00 34.50 H new ATOM 0 HZ2 TRP A 16 -4.745 -20.490 7.114 1.00 71.33 H new ATOM 0 HZ3 TRP A 16 -7.251 -20.166 10.565 1.00 40.33 H new ATOM 0 HH2 TRP A 16 -5.919 -21.526 9.006 1.00 72.02 H new ATOM 267 N GLY A 17 -7.819 -12.200 8.533 1.00 13.15 N ATOM 268 CA GLY A 17 -8.227 -11.042 9.327 1.00 73.04 C ATOM 269 C GLY A 17 -9.512 -10.372 8.850 1.00 33.13 C ATOM 270 O GLY A 17 -10.258 -10.922 8.033 1.00 64.11 O ATOM 0 H GLY A 17 -6.996 -12.043 7.952 1.00 13.15 H new ATOM 0 HA2 GLY A 17 -8.358 -11.355 10.363 1.00 73.04 H new ATOM 0 HA3 GLY A 17 -7.422 -10.307 9.315 1.00 73.04 H new ATOM 274 N GLU A 18 -9.768 -9.168 9.361 1.00 11.34 N ATOM 275 CA GLU A 18 -10.975 -8.411 9.012 1.00 63.42 C ATOM 276 C GLU A 18 -10.730 -7.494 7.799 1.00 52.14 C ATOM 277 O GLU A 18 -9.701 -6.820 7.713 1.00 74.42 O ATOM 278 CB GLU A 18 -11.450 -7.567 10.208 1.00 34.11 C ATOM 279 CG GLU A 18 -11.792 -8.373 11.464 1.00 73.33 C ATOM 280 CD GLU A 18 -10.567 -8.948 12.170 1.00 14.02 C ATOM 281 OE1 GLU A 18 -9.655 -8.168 12.519 1.00 24.04 O ATOM 282 OE2 GLU A 18 -10.515 -10.176 12.392 1.00 22.22 O ATOM 0 H GLU A 18 -9.154 -8.692 10.022 1.00 11.34 H new ATOM 0 HA GLU A 18 -11.749 -9.133 8.750 1.00 63.42 H new ATOM 0 HB2 GLU A 18 -10.673 -6.844 10.457 1.00 34.11 H new ATOM 0 HB3 GLU A 18 -12.330 -6.998 9.907 1.00 34.11 H new ATOM 0 HG2 GLU A 18 -12.336 -7.734 12.160 1.00 73.33 H new ATOM 0 HG3 GLU A 18 -12.461 -9.189 11.191 1.00 73.33 H new ATOM 289 N PRO A 19 -11.695 -7.422 6.860 1.00 0.42 N ATOM 290 CA PRO A 19 -11.545 -6.652 5.616 1.00 3.41 C ATOM 291 C PRO A 19 -11.936 -5.168 5.768 1.00 12.40 C ATOM 292 O PRO A 19 -12.636 -4.603 4.920 1.00 44.23 O ATOM 293 CB PRO A 19 -12.508 -7.377 4.674 1.00 1.01 C ATOM 294 CG PRO A 19 -13.611 -7.874 5.556 1.00 33.33 C ATOM 295 CD PRO A 19 -13.019 -8.071 6.940 1.00 33.41 C ATOM 0 HA PRO A 19 -10.512 -6.615 5.271 1.00 3.41 H new ATOM 0 HB2 PRO A 19 -12.890 -6.705 3.906 1.00 1.01 H new ATOM 0 HB3 PRO A 19 -12.012 -8.200 4.160 1.00 1.01 H new ATOM 0 HG2 PRO A 19 -14.432 -7.158 5.586 1.00 33.33 H new ATOM 0 HG3 PRO A 19 -14.018 -8.810 5.174 1.00 33.33 H new ATOM 0 HD2 PRO A 19 -13.642 -7.613 7.709 1.00 33.41 H new ATOM 0 HD3 PRO A 19 -12.930 -9.128 7.189 1.00 33.41 H new ATOM 303 N ALA A 20 -11.468 -4.540 6.843 1.00 3.22 N ATOM 304 CA ALA A 20 -11.753 -3.121 7.104 1.00 21.44 C ATOM 305 C ALA A 20 -10.637 -2.206 6.571 1.00 65.43 C ATOM 306 O ALA A 20 -10.806 -0.989 6.485 1.00 44.51 O ATOM 307 CB ALA A 20 -11.950 -2.900 8.602 1.00 11.23 C ATOM 0 H ALA A 20 -10.888 -4.987 7.553 1.00 3.22 H new ATOM 0 HA ALA A 20 -12.669 -2.860 6.574 1.00 21.44 H new ATOM 0 HB1 ALA A 20 -12.161 -1.847 8.790 1.00 11.23 H new ATOM 0 HB2 ALA A 20 -12.786 -3.506 8.952 1.00 11.23 H new ATOM 0 HB3 ALA A 20 -11.044 -3.189 9.135 1.00 11.23 H new ATOM 313 N PHE A 21 -9.507 -2.797 6.192 1.00 55.52 N ATOM 314 CA PHE A 21 -8.334 -2.020 5.767 1.00 44.55 C ATOM 315 C PHE A 21 -8.284 -1.833 4.241 1.00 61.20 C ATOM 316 O PHE A 21 -8.894 -2.591 3.484 1.00 43.53 O ATOM 317 CB PHE A 21 -7.039 -2.685 6.265 1.00 55.21 C ATOM 318 CG PHE A 21 -6.806 -4.081 5.733 1.00 34.52 C ATOM 319 CD1 PHE A 21 -6.260 -4.276 4.468 1.00 50.12 C ATOM 320 CD2 PHE A 21 -7.131 -5.197 6.495 1.00 50.01 C ATOM 321 CE1 PHE A 21 -6.049 -5.551 3.979 1.00 30.33 C ATOM 322 CE2 PHE A 21 -6.922 -6.470 6.005 1.00 35.10 C ATOM 323 CZ PHE A 21 -6.380 -6.648 4.749 1.00 30.33 C ATOM 0 H PHE A 21 -9.373 -3.808 6.169 1.00 55.52 H new ATOM 0 HA PHE A 21 -8.424 -1.030 6.214 1.00 44.55 H new ATOM 0 HB2 PHE A 21 -6.193 -2.057 5.986 1.00 55.21 H new ATOM 0 HB3 PHE A 21 -7.061 -2.724 7.354 1.00 55.21 H new ATOM 0 HD1 PHE A 21 -5.998 -3.421 3.862 1.00 50.12 H new ATOM 0 HD2 PHE A 21 -7.552 -5.067 7.481 1.00 50.01 H new ATOM 0 HE1 PHE A 21 -5.625 -5.689 2.995 1.00 30.33 H new ATOM 0 HE2 PHE A 21 -7.183 -7.329 6.606 1.00 35.10 H new ATOM 0 HZ PHE A 21 -6.215 -7.645 4.368 1.00 30.33 H new ATOM 333 N THR A 22 -7.549 -0.815 3.796 1.00 74.52 N ATOM 334 CA THR A 22 -7.392 -0.525 2.362 1.00 1.33 C ATOM 335 C THR A 22 -5.908 -0.394 1.984 1.00 33.22 C ATOM 336 O THR A 22 -5.145 0.280 2.671 1.00 2.50 O ATOM 337 CB THR A 22 -8.142 0.773 1.968 1.00 3.24 C ATOM 338 OG1 THR A 22 -9.537 0.645 2.290 1.00 43.32 O ATOM 339 CG2 THR A 22 -7.991 1.072 0.480 1.00 32.14 C ATOM 0 H THR A 22 -7.048 -0.171 4.408 1.00 74.52 H new ATOM 0 HA THR A 22 -7.825 -1.362 1.814 1.00 1.33 H new ATOM 0 HB THR A 22 -7.704 1.598 2.530 1.00 3.24 H new ATOM 0 HG1 THR A 22 -10.007 1.468 2.041 1.00 43.32 H new ATOM 0 HG21 THR A 22 -8.529 1.988 0.237 1.00 32.14 H new ATOM 0 HG22 THR A 22 -6.935 1.196 0.239 1.00 32.14 H new ATOM 0 HG23 THR A 22 -8.401 0.246 -0.101 1.00 32.14 H new ATOM 347 N ILE A 23 -5.506 -1.042 0.889 1.00 45.32 N ATOM 348 CA ILE A 23 -4.093 -1.068 0.473 1.00 55.42 C ATOM 349 C ILE A 23 -3.819 -0.115 -0.707 1.00 41.24 C ATOM 350 O ILE A 23 -4.543 -0.122 -1.704 1.00 60.02 O ATOM 351 CB ILE A 23 -3.667 -2.503 0.077 1.00 40.50 C ATOM 352 CG1 ILE A 23 -3.896 -3.470 1.252 1.00 4.42 C ATOM 353 CG2 ILE A 23 -2.207 -2.527 -0.372 1.00 42.21 C ATOM 354 CD1 ILE A 23 -3.589 -4.919 0.927 1.00 72.05 C ATOM 0 H ILE A 23 -6.134 -1.557 0.272 1.00 45.32 H new ATOM 0 HA ILE A 23 -3.507 -0.731 1.328 1.00 55.42 H new ATOM 0 HB ILE A 23 -4.282 -2.830 -0.762 1.00 40.50 H new ATOM 0 HG12 ILE A 23 -3.276 -3.158 2.092 1.00 4.42 H new ATOM 0 HG13 ILE A 23 -4.934 -3.393 1.576 1.00 4.42 H new ATOM 0 HG21 ILE A 23 -1.927 -3.544 -0.646 1.00 42.21 H new ATOM 0 HG22 ILE A 23 -2.080 -1.871 -1.234 1.00 42.21 H new ATOM 0 HG23 ILE A 23 -1.570 -2.182 0.443 1.00 42.21 H new ATOM 0 HD11 ILE A 23 -3.775 -5.536 1.806 1.00 72.05 H new ATOM 0 HD12 ILE A 23 -4.227 -5.251 0.108 1.00 72.05 H new ATOM 0 HD13 ILE A 23 -2.544 -5.012 0.633 1.00 72.05 H new ATOM 366 N LEU A 24 -2.758 0.692 -0.596 1.00 34.35 N ATOM 367 CA LEU A 24 -2.420 1.695 -1.618 1.00 52.14 C ATOM 368 C LEU A 24 -1.106 1.364 -2.348 1.00 23.11 C ATOM 369 O LEU A 24 -0.084 1.077 -1.718 1.00 54.41 O ATOM 370 CB LEU A 24 -2.312 3.088 -0.978 1.00 3.30 C ATOM 371 CG LEU A 24 -3.537 3.543 -0.165 1.00 52.34 C ATOM 372 CD1 LEU A 24 -3.440 5.032 0.162 1.00 34.40 C ATOM 373 CD2 LEU A 24 -4.833 3.235 -0.911 1.00 52.15 C ATOM 0 H LEU A 24 -2.114 0.671 0.195 1.00 34.35 H new ATOM 0 HA LEU A 24 -3.223 1.684 -2.355 1.00 52.14 H new ATOM 0 HB2 LEU A 24 -1.439 3.101 -0.325 1.00 3.30 H new ATOM 0 HB3 LEU A 24 -2.131 3.818 -1.767 1.00 3.30 H new ATOM 0 HG LEU A 24 -3.549 2.986 0.772 1.00 52.34 H new ATOM 0 HD11 LEU A 24 -4.315 5.336 0.737 1.00 34.40 H new ATOM 0 HD12 LEU A 24 -2.539 5.218 0.746 1.00 34.40 H new ATOM 0 HD13 LEU A 24 -3.397 5.606 -0.764 1.00 34.40 H new ATOM 0 HD21 LEU A 24 -5.683 3.566 -0.315 1.00 52.15 H new ATOM 0 HD22 LEU A 24 -4.835 3.757 -1.868 1.00 52.15 H new ATOM 0 HD23 LEU A 24 -4.907 2.161 -1.083 1.00 52.15 H new ATOM 385 N ASP A 25 -1.143 1.424 -3.676 1.00 4.12 N ATOM 386 CA ASP A 25 0.036 1.161 -4.510 1.00 64.34 C ATOM 387 C ASP A 25 0.782 2.465 -4.830 1.00 31.11 C ATOM 388 O ASP A 25 0.413 3.182 -5.760 1.00 14.44 O ATOM 389 CB ASP A 25 -0.403 0.485 -5.810 1.00 61.24 C ATOM 390 CG ASP A 25 0.741 -0.186 -6.550 1.00 72.10 C ATOM 391 OD1 ASP A 25 1.763 0.477 -6.839 1.00 33.25 O ATOM 392 OD2 ASP A 25 0.624 -1.391 -6.836 1.00 22.22 O ATOM 0 H ASP A 25 -1.983 1.654 -4.206 1.00 4.12 H new ATOM 0 HA ASP A 25 0.712 0.505 -3.962 1.00 64.34 H new ATOM 0 HB2 ASP A 25 -1.168 -0.258 -5.585 1.00 61.24 H new ATOM 0 HB3 ASP A 25 -0.863 1.228 -6.461 1.00 61.24 H new ATOM 397 N VAL A 26 1.835 2.768 -4.074 1.00 42.40 N ATOM 398 CA VAL A 26 2.551 4.038 -4.238 1.00 32.14 C ATOM 399 C VAL A 26 3.777 3.911 -5.153 1.00 31.13 C ATOM 400 O VAL A 26 4.566 4.850 -5.275 1.00 53.23 O ATOM 401 CB VAL A 26 2.978 4.626 -2.871 1.00 23.13 C ATOM 402 CG1 VAL A 26 1.748 4.944 -2.026 1.00 52.41 C ATOM 403 CG2 VAL A 26 3.917 3.672 -2.138 1.00 23.23 C ATOM 0 H VAL A 26 2.211 2.160 -3.347 1.00 42.40 H new ATOM 0 HA VAL A 26 1.848 4.720 -4.716 1.00 32.14 H new ATOM 0 HB VAL A 26 3.522 5.554 -3.047 1.00 23.13 H new ATOM 0 HG11 VAL A 26 2.062 5.357 -1.067 1.00 52.41 H new ATOM 0 HG12 VAL A 26 1.126 5.671 -2.548 1.00 52.41 H new ATOM 0 HG13 VAL A 26 1.176 4.031 -1.858 1.00 52.41 H new ATOM 0 HG21 VAL A 26 4.203 4.107 -1.180 1.00 23.23 H new ATOM 0 HG22 VAL A 26 3.410 2.722 -1.968 1.00 23.23 H new ATOM 0 HG23 VAL A 26 4.809 3.504 -2.741 1.00 23.23 H new ATOM 413 N ARG A 27 3.932 2.761 -5.807 1.00 13.33 N ATOM 414 CA ARG A 27 5.021 2.572 -6.774 1.00 24.44 C ATOM 415 C ARG A 27 4.831 3.512 -7.976 1.00 44.30 C ATOM 416 O ARG A 27 5.610 4.442 -8.189 1.00 55.35 O ATOM 417 CB ARG A 27 5.060 1.116 -7.265 1.00 11.33 C ATOM 418 CG ARG A 27 5.305 0.083 -6.169 1.00 4.00 C ATOM 419 CD ARG A 27 5.137 -1.343 -6.692 1.00 53.53 C ATOM 420 NE ARG A 27 3.793 -1.575 -7.185 1.00 55.13 N ATOM 421 CZ ARG A 27 3.469 -2.537 -7.988 1.00 45.12 C ATOM 422 NH1 ARG A 27 4.341 -3.415 -8.366 1.00 3.13 N ATOM 423 NH2 ARG A 27 2.266 -2.626 -8.414 1.00 11.32 N ATOM 0 H ARG A 27 3.325 1.950 -5.689 1.00 13.33 H new ATOM 0 HA ARG A 27 5.963 2.805 -6.277 1.00 24.44 H new ATOM 0 HB2 ARG A 27 4.115 0.887 -7.757 1.00 11.33 H new ATOM 0 HB3 ARG A 27 5.843 1.021 -8.017 1.00 11.33 H new ATOM 0 HG2 ARG A 27 6.311 0.208 -5.769 1.00 4.00 H new ATOM 0 HG3 ARG A 27 4.611 0.253 -5.346 1.00 4.00 H new ATOM 0 HD2 ARG A 27 5.855 -1.525 -7.492 1.00 53.53 H new ATOM 0 HD3 ARG A 27 5.361 -2.052 -5.895 1.00 53.53 H new ATOM 0 HE ARG A 27 3.056 -0.939 -6.879 1.00 55.13 H new ATOM 0 HH11 ARG A 27 5.302 -3.356 -8.031 1.00 3.13 H new ATOM 0 HH12 ARG A 27 4.067 -4.166 -8.999 1.00 3.13 H new ATOM 0 HH21 ARG A 27 1.569 -1.941 -8.121 1.00 11.32 H new ATOM 0 HH22 ARG A 27 2.004 -3.382 -9.047 1.00 11.32 H new ATOM 437 N ASP A 28 3.765 3.253 -8.733 1.00 50.14 N ATOM 438 CA ASP A 28 3.413 4.028 -9.927 1.00 31.24 C ATOM 439 C ASP A 28 2.174 3.403 -10.584 1.00 51.01 C ATOM 440 O ASP A 28 1.908 2.217 -10.400 1.00 54.25 O ATOM 441 CB ASP A 28 4.578 4.045 -10.931 1.00 63.33 C ATOM 442 CG ASP A 28 4.421 5.109 -12.002 1.00 60.43 C ATOM 443 OD1 ASP A 28 3.647 4.891 -12.956 1.00 74.13 O ATOM 444 OD2 ASP A 28 5.078 6.166 -11.900 1.00 31.42 O ATOM 0 H ASP A 28 3.114 2.493 -8.535 1.00 50.14 H new ATOM 0 HA ASP A 28 3.201 5.055 -9.631 1.00 31.24 H new ATOM 0 HB2 ASP A 28 5.511 4.213 -10.394 1.00 63.33 H new ATOM 0 HB3 ASP A 28 4.655 3.067 -11.406 1.00 63.33 H new ATOM 449 N ARG A 29 1.431 4.181 -11.357 1.00 3.20 N ATOM 450 CA ARG A 29 0.245 3.657 -12.048 1.00 21.10 C ATOM 451 C ARG A 29 0.641 2.582 -13.083 1.00 42.03 C ATOM 452 O ARG A 29 -0.080 1.601 -13.293 1.00 31.22 O ATOM 453 CB ARG A 29 -0.522 4.798 -12.733 1.00 65.41 C ATOM 454 CG ARG A 29 -1.735 4.333 -13.534 1.00 65.11 C ATOM 455 CD ARG A 29 -2.839 3.757 -12.648 1.00 62.41 C ATOM 456 NE ARG A 29 -3.879 3.102 -13.442 1.00 62.54 N ATOM 457 CZ ARG A 29 -5.144 3.042 -13.115 1.00 14.42 C ATOM 458 NH1 ARG A 29 -5.588 3.625 -12.049 1.00 42.40 N ATOM 459 NH2 ARG A 29 -5.971 2.410 -13.879 1.00 14.44 N ATOM 0 H ARG A 29 1.619 5.169 -11.526 1.00 3.20 H new ATOM 0 HA ARG A 29 -0.404 3.193 -11.305 1.00 21.10 H new ATOM 0 HB2 ARG A 29 -0.850 5.509 -11.975 1.00 65.41 H new ATOM 0 HB3 ARG A 29 0.157 5.332 -13.398 1.00 65.41 H new ATOM 0 HG2 ARG A 29 -2.133 5.173 -14.104 1.00 65.11 H new ATOM 0 HG3 ARG A 29 -1.422 3.578 -14.255 1.00 65.11 H new ATOM 0 HD2 ARG A 29 -2.408 3.040 -11.949 1.00 62.41 H new ATOM 0 HD3 ARG A 29 -3.283 4.555 -12.053 1.00 62.41 H new ATOM 0 HE ARG A 29 -3.596 2.659 -14.316 1.00 62.54 H new ATOM 0 HH11 ARG A 29 -4.948 4.143 -11.447 1.00 42.40 H new ATOM 0 HH12 ARG A 29 -6.578 3.567 -11.811 1.00 42.40 H new ATOM 0 HH21 ARG A 29 -5.637 1.961 -14.732 1.00 14.44 H new ATOM 0 HH22 ARG A 29 -6.959 2.359 -13.630 1.00 14.44 H new ATOM 473 N SER A 30 1.800 2.770 -13.712 1.00 10.10 N ATOM 474 CA SER A 30 2.338 1.810 -14.689 1.00 71.31 C ATOM 475 C SER A 30 2.777 0.518 -13.995 1.00 1.32 C ATOM 476 O SER A 30 2.470 -0.587 -14.448 1.00 12.52 O ATOM 477 CB SER A 30 3.534 2.420 -15.437 1.00 41.03 C ATOM 478 OG SER A 30 4.579 2.767 -14.538 1.00 24.12 O ATOM 0 H SER A 30 2.394 3.586 -13.564 1.00 10.10 H new ATOM 0 HA SER A 30 1.547 1.578 -15.402 1.00 71.31 H new ATOM 0 HB2 SER A 30 3.906 1.709 -16.175 1.00 41.03 H new ATOM 0 HB3 SER A 30 3.211 3.306 -15.983 1.00 41.03 H new ATOM 0 HG SER A 30 4.306 3.540 -14.001 1.00 24.12 H new ATOM 484 N THR A 31 3.506 0.667 -12.891 1.00 72.23 N ATOM 485 CA THR A 31 3.951 -0.477 -12.087 1.00 41.10 C ATOM 486 C THR A 31 2.754 -1.182 -11.427 1.00 3.22 C ATOM 487 O THR A 31 2.775 -2.394 -11.203 1.00 52.00 O ATOM 488 CB THR A 31 4.960 -0.038 -10.995 1.00 21.03 C ATOM 489 OG1 THR A 31 5.940 0.847 -11.558 1.00 3.04 O ATOM 490 CG2 THR A 31 5.676 -1.242 -10.386 1.00 53.51 C ATOM 0 H THR A 31 3.804 1.573 -12.529 1.00 72.23 H new ATOM 0 HA THR A 31 4.448 -1.174 -12.762 1.00 41.10 H new ATOM 0 HB THR A 31 4.399 0.472 -10.212 1.00 21.03 H new ATOM 0 HG1 THR A 31 6.572 1.121 -10.861 1.00 3.04 H new ATOM 0 HG21 THR A 31 6.377 -0.901 -9.624 1.00 53.51 H new ATOM 0 HG22 THR A 31 4.943 -1.910 -9.933 1.00 53.51 H new ATOM 0 HG23 THR A 31 6.219 -1.775 -11.166 1.00 53.51 H new ATOM 498 N TYR A 32 1.707 -0.410 -11.122 1.00 1.32 N ATOM 499 CA TYR A 32 0.435 -0.965 -10.641 1.00 15.23 C ATOM 500 C TYR A 32 -0.145 -1.933 -11.682 1.00 22.24 C ATOM 501 O TYR A 32 -0.462 -3.081 -11.372 1.00 22.31 O ATOM 502 CB TYR A 32 -0.561 0.174 -10.347 1.00 53.22 C ATOM 503 CG TYR A 32 -1.949 -0.287 -9.926 1.00 22.41 C ATOM 504 CD1 TYR A 32 -2.206 -0.696 -8.622 1.00 30.32 C ATOM 505 CD2 TYR A 32 -3.006 -0.305 -10.832 1.00 71.42 C ATOM 506 CE1 TYR A 32 -3.467 -1.109 -8.235 1.00 31.13 C ATOM 507 CE2 TYR A 32 -4.270 -0.715 -10.452 1.00 44.23 C ATOM 508 CZ TYR A 32 -4.496 -1.116 -9.152 1.00 31.30 C ATOM 509 OH TYR A 32 -5.754 -1.532 -8.772 1.00 71.41 O ATOM 0 H TYR A 32 1.714 0.607 -11.200 1.00 1.32 H new ATOM 0 HA TYR A 32 0.614 -1.516 -9.718 1.00 15.23 H new ATOM 0 HB2 TYR A 32 -0.148 0.805 -9.560 1.00 53.22 H new ATOM 0 HB3 TYR A 32 -0.654 0.796 -11.238 1.00 53.22 H new ATOM 0 HD1 TYR A 32 -1.405 -0.691 -7.898 1.00 30.32 H new ATOM 0 HD2 TYR A 32 -2.835 0.007 -11.852 1.00 71.42 H new ATOM 0 HE1 TYR A 32 -3.645 -1.425 -7.218 1.00 31.13 H new ATOM 0 HE2 TYR A 32 -5.077 -0.721 -11.170 1.00 44.23 H new ATOM 0 HH TYR A 32 -5.834 -1.484 -7.796 1.00 71.41 H new ATOM 519 N ASN A 33 -0.258 -1.463 -12.926 1.00 62.33 N ATOM 520 CA ASN A 33 -0.708 -2.310 -14.037 1.00 75.50 C ATOM 521 C ASN A 33 0.259 -3.479 -14.281 1.00 74.50 C ATOM 522 O ASN A 33 -0.156 -4.555 -14.693 1.00 33.34 O ATOM 523 CB ASN A 33 -0.864 -1.484 -15.321 1.00 0.03 C ATOM 524 CG ASN A 33 -2.021 -0.502 -15.248 1.00 55.40 C ATOM 525 OD1 ASN A 33 -3.021 -0.750 -14.577 1.00 44.44 O ATOM 526 ND2 ASN A 33 -1.906 0.609 -15.947 1.00 54.44 N ATOM 0 H ASN A 33 -0.045 -0.501 -13.191 1.00 62.33 H new ATOM 0 HA ASN A 33 -1.678 -2.722 -13.760 1.00 75.50 H new ATOM 0 HB2 ASN A 33 0.060 -0.938 -15.511 1.00 0.03 H new ATOM 0 HB3 ASN A 33 -1.016 -2.157 -16.165 1.00 0.03 H new ATOM 0 HD21 ASN A 33 -2.661 1.295 -15.942 1.00 54.44 H new ATOM 0 HD22 ASN A 33 -1.062 0.783 -16.493 1.00 54.44 H new ATOM 533 N ASP A 34 1.547 -3.265 -14.032 1.00 71.14 N ATOM 534 CA ASP A 34 2.552 -4.322 -14.189 1.00 41.25 C ATOM 535 C ASP A 34 2.265 -5.512 -13.251 1.00 32.15 C ATOM 536 O ASP A 34 2.210 -6.664 -13.691 1.00 63.41 O ATOM 537 CB ASP A 34 3.939 -3.728 -13.895 1.00 30.43 C ATOM 538 CG ASP A 34 5.073 -4.734 -14.004 1.00 35.24 C ATOM 539 OD1 ASP A 34 5.279 -5.517 -13.055 1.00 61.04 O ATOM 540 OD2 ASP A 34 5.780 -4.725 -15.031 1.00 25.31 O ATOM 0 H ASP A 34 1.924 -2.370 -13.720 1.00 71.14 H new ATOM 0 HA ASP A 34 2.517 -4.700 -15.211 1.00 41.25 H new ATOM 0 HB2 ASP A 34 4.126 -2.907 -14.587 1.00 30.43 H new ATOM 0 HB3 ASP A 34 3.937 -3.304 -12.891 1.00 30.43 H new ATOM 545 N GLY A 35 2.038 -5.218 -11.973 1.00 2.03 N ATOM 546 CA GLY A 35 1.673 -6.257 -11.018 1.00 45.21 C ATOM 547 C GLY A 35 1.460 -5.700 -9.622 1.00 64.53 C ATOM 548 O GLY A 35 2.326 -5.016 -9.100 1.00 2.45 O ATOM 0 H GLY A 35 2.100 -4.279 -11.579 1.00 2.03 H new ATOM 0 HA2 GLY A 35 0.762 -6.753 -11.353 1.00 45.21 H new ATOM 0 HA3 GLY A 35 2.456 -7.014 -10.990 1.00 45.21 H new ATOM 552 N HIS A 36 0.317 -6.004 -9.006 1.00 31.22 N ATOM 553 CA HIS A 36 -0.060 -5.393 -7.721 1.00 52.35 C ATOM 554 C HIS A 36 -0.825 -6.379 -6.828 1.00 12.51 C ATOM 555 O HIS A 36 -1.177 -7.473 -7.259 1.00 30.11 O ATOM 556 CB HIS A 36 -0.918 -4.141 -7.970 1.00 63.11 C ATOM 557 CG HIS A 36 -2.189 -4.408 -8.729 1.00 3.24 C ATOM 558 ND1 HIS A 36 -2.239 -4.518 -10.101 1.00 22.45 N ATOM 559 CD2 HIS A 36 -3.466 -4.570 -8.300 1.00 34.12 C ATOM 560 CE1 HIS A 36 -3.481 -4.733 -10.483 1.00 20.32 C ATOM 561 NE2 HIS A 36 -4.244 -4.772 -9.414 1.00 4.24 N ATOM 0 H HIS A 36 -0.366 -6.668 -9.371 1.00 31.22 H new ATOM 0 HA HIS A 36 0.857 -5.114 -7.202 1.00 52.35 H new ATOM 0 HB2 HIS A 36 -1.169 -3.689 -7.010 1.00 63.11 H new ATOM 0 HB3 HIS A 36 -0.325 -3.411 -8.521 1.00 63.11 H new ATOM 0 HD1 HIS A 36 -1.436 -4.444 -10.726 1.00 22.45 H new ATOM 0 HD2 HIS A 36 -3.807 -4.545 -7.275 1.00 34.12 H new ATOM 0 HE1 HIS A 36 -3.816 -4.856 -11.502 1.00 20.32 H new ATOM 570 N ILE A 37 -1.087 -5.981 -5.586 1.00 21.22 N ATOM 571 CA ILE A 37 -1.890 -6.796 -4.667 1.00 11.41 C ATOM 572 C ILE A 37 -3.351 -6.903 -5.145 1.00 12.24 C ATOM 573 O ILE A 37 -3.921 -5.937 -5.659 1.00 41.44 O ATOM 574 CB ILE A 37 -1.856 -6.215 -3.227 1.00 61.32 C ATOM 575 CG1 ILE A 37 -0.422 -6.270 -2.666 1.00 14.02 C ATOM 576 CG2 ILE A 37 -2.828 -6.962 -2.311 1.00 72.13 C ATOM 577 CD1 ILE A 37 -0.282 -5.694 -1.270 1.00 24.24 C ATOM 0 H ILE A 37 -0.757 -5.101 -5.189 1.00 21.22 H new ATOM 0 HA ILE A 37 -1.450 -7.793 -4.656 1.00 11.41 H new ATOM 0 HB ILE A 37 -2.174 -5.173 -3.268 1.00 61.32 H new ATOM 0 HG12 ILE A 37 -0.087 -7.307 -2.655 1.00 14.02 H new ATOM 0 HG13 ILE A 37 0.242 -5.728 -3.340 1.00 14.02 H new ATOM 0 HG21 ILE A 37 -2.784 -6.535 -1.309 1.00 72.13 H new ATOM 0 HG22 ILE A 37 -3.841 -6.868 -2.702 1.00 72.13 H new ATOM 0 HG23 ILE A 37 -2.552 -8.016 -2.269 1.00 72.13 H new ATOM 0 HD11 ILE A 37 0.756 -5.770 -0.947 1.00 24.24 H new ATOM 0 HD12 ILE A 37 -0.584 -4.647 -1.277 1.00 24.24 H new ATOM 0 HD13 ILE A 37 -0.918 -6.251 -0.581 1.00 24.24 H new ATOM 589 N MET A 38 -3.949 -8.082 -4.981 1.00 4.52 N ATOM 590 CA MET A 38 -5.348 -8.305 -5.370 1.00 50.23 C ATOM 591 C MET A 38 -6.300 -7.352 -4.624 1.00 13.40 C ATOM 592 O MET A 38 -6.392 -7.385 -3.396 1.00 61.02 O ATOM 593 CB MET A 38 -5.741 -9.762 -5.095 1.00 25.11 C ATOM 594 CG MET A 38 -7.216 -10.066 -5.337 1.00 33.22 C ATOM 595 SD MET A 38 -7.688 -9.972 -7.075 1.00 52.34 S ATOM 596 CE MET A 38 -6.770 -11.354 -7.755 1.00 53.31 C ATOM 0 H MET A 38 -3.490 -8.900 -4.582 1.00 4.52 H new ATOM 0 HA MET A 38 -5.437 -8.099 -6.437 1.00 50.23 H new ATOM 0 HB2 MET A 38 -5.138 -10.415 -5.726 1.00 25.11 H new ATOM 0 HB3 MET A 38 -5.496 -10.004 -4.061 1.00 25.11 H new ATOM 0 HG2 MET A 38 -7.441 -11.064 -4.960 1.00 33.22 H new ATOM 0 HG3 MET A 38 -7.823 -9.365 -4.764 1.00 33.22 H new ATOM 0 HE1 MET A 38 -7.118 -11.559 -8.767 1.00 53.31 H new ATOM 0 HE2 MET A 38 -5.708 -11.109 -7.779 1.00 53.31 H new ATOM 0 HE3 MET A 38 -6.925 -12.235 -7.133 1.00 53.31 H new ATOM 606 N GLY A 39 -7.007 -6.512 -5.374 1.00 21.25 N ATOM 607 CA GLY A 39 -7.945 -5.568 -4.773 1.00 44.01 C ATOM 608 C GLY A 39 -7.278 -4.322 -4.186 1.00 12.33 C ATOM 609 O GLY A 39 -7.844 -3.659 -3.313 1.00 74.43 O ATOM 0 H GLY A 39 -6.950 -6.465 -6.391 1.00 21.25 H new ATOM 0 HA2 GLY A 39 -8.669 -5.260 -5.527 1.00 44.01 H new ATOM 0 HA3 GLY A 39 -8.502 -6.076 -3.985 1.00 44.01 H new ATOM 613 N ALA A 40 -6.076 -3.999 -4.664 1.00 25.01 N ATOM 614 CA ALA A 40 -5.360 -2.801 -4.208 1.00 14.14 C ATOM 615 C ALA A 40 -5.842 -1.528 -4.921 1.00 13.14 C ATOM 616 O ALA A 40 -6.533 -1.583 -5.943 1.00 24.11 O ATOM 617 CB ALA A 40 -3.859 -2.967 -4.399 1.00 24.34 C ATOM 0 H ALA A 40 -5.577 -4.547 -5.365 1.00 25.01 H new ATOM 0 HA ALA A 40 -5.578 -2.687 -3.146 1.00 14.14 H new ATOM 0 HB1 ALA A 40 -3.347 -2.068 -4.055 1.00 24.34 H new ATOM 0 HB2 ALA A 40 -3.512 -3.825 -3.824 1.00 24.34 H new ATOM 0 HB3 ALA A 40 -3.642 -3.126 -5.455 1.00 24.34 H new ATOM 623 N MET A 41 -5.455 -0.381 -4.375 1.00 43.53 N ATOM 624 CA MET A 41 -5.857 0.921 -4.916 1.00 55.33 C ATOM 625 C MET A 41 -4.732 1.574 -5.722 1.00 40.42 C ATOM 626 O MET A 41 -3.552 1.440 -5.392 1.00 52.14 O ATOM 627 CB MET A 41 -6.258 1.846 -3.770 1.00 31.12 C ATOM 628 CG MET A 41 -7.407 1.309 -2.938 1.00 34.34 C ATOM 629 SD MET A 41 -8.963 1.250 -3.852 1.00 14.40 S ATOM 630 CE MET A 41 -9.180 2.979 -4.285 1.00 12.33 C ATOM 0 H MET A 41 -4.858 -0.322 -3.550 1.00 43.53 H new ATOM 0 HA MET A 41 -6.701 0.757 -5.586 1.00 55.33 H new ATOM 0 HB2 MET A 41 -5.395 2.007 -3.124 1.00 31.12 H new ATOM 0 HB3 MET A 41 -6.537 2.818 -4.178 1.00 31.12 H new ATOM 0 HG2 MET A 41 -7.159 0.307 -2.587 1.00 34.34 H new ATOM 0 HG3 MET A 41 -7.533 1.934 -2.054 1.00 34.34 H new ATOM 0 HE1 MET A 41 -10.227 3.165 -4.526 1.00 12.33 H new ATOM 0 HE2 MET A 41 -8.885 3.605 -3.443 1.00 12.33 H new ATOM 0 HE3 MET A 41 -8.561 3.218 -5.149 1.00 12.33 H new ATOM 640 N ALA A 42 -5.107 2.306 -6.761 1.00 41.32 N ATOM 641 CA ALA A 42 -4.133 2.971 -7.627 1.00 71.11 C ATOM 642 C ALA A 42 -3.801 4.384 -7.126 1.00 0.13 C ATOM 643 O ALA A 42 -4.159 5.384 -7.754 1.00 14.41 O ATOM 644 CB ALA A 42 -4.641 3.007 -9.065 1.00 61.54 C ATOM 0 H ALA A 42 -6.080 2.457 -7.029 1.00 41.32 H new ATOM 0 HA ALA A 42 -3.209 2.393 -7.598 1.00 71.11 H new ATOM 0 HB1 ALA A 42 -3.906 3.505 -9.698 1.00 61.54 H new ATOM 0 HB2 ALA A 42 -4.797 1.989 -9.421 1.00 61.54 H new ATOM 0 HB3 ALA A 42 -5.583 3.553 -9.104 1.00 61.54 H new ATOM 650 N MET A 43 -3.129 4.461 -5.980 1.00 61.22 N ATOM 651 CA MET A 43 -2.651 5.740 -5.443 1.00 71.15 C ATOM 652 C MET A 43 -1.126 5.858 -5.566 1.00 74.40 C ATOM 653 O MET A 43 -0.391 5.505 -4.643 1.00 25.11 O ATOM 654 CB MET A 43 -3.072 5.928 -3.975 1.00 2.54 C ATOM 655 CG MET A 43 -4.513 6.389 -3.794 1.00 22.31 C ATOM 656 SD MET A 43 -5.681 5.046 -3.549 1.00 4.33 S ATOM 657 CE MET A 43 -7.174 5.993 -3.274 1.00 20.43 C ATOM 0 H MET A 43 -2.901 3.653 -5.401 1.00 61.22 H new ATOM 0 HA MET A 43 -3.113 6.528 -6.038 1.00 71.15 H new ATOM 0 HB2 MET A 43 -2.934 4.985 -3.445 1.00 2.54 H new ATOM 0 HB3 MET A 43 -2.408 6.656 -3.508 1.00 2.54 H new ATOM 0 HG2 MET A 43 -4.564 7.063 -2.939 1.00 22.31 H new ATOM 0 HG3 MET A 43 -4.813 6.963 -4.670 1.00 22.31 H new ATOM 0 HE1 MET A 43 -7.670 5.636 -2.371 1.00 20.43 H new ATOM 0 HE2 MET A 43 -6.920 7.047 -3.157 1.00 20.43 H new ATOM 0 HE3 MET A 43 -7.843 5.874 -4.126 1.00 20.43 H new ATOM 667 N PRO A 44 -0.634 6.384 -6.704 1.00 72.35 N ATOM 668 CA PRO A 44 0.806 6.474 -6.975 1.00 5.13 C ATOM 669 C PRO A 44 1.465 7.610 -6.174 1.00 12.25 C ATOM 670 O PRO A 44 0.892 8.690 -6.027 1.00 44.23 O ATOM 671 CB PRO A 44 0.846 6.740 -8.487 1.00 31.32 C ATOM 672 CG PRO A 44 -0.405 7.503 -8.761 1.00 2.02 C ATOM 673 CD PRO A 44 -1.440 6.979 -7.791 1.00 10.10 C ATOM 0 HA PRO A 44 1.359 5.581 -6.682 1.00 5.13 H new ATOM 0 HB2 PRO A 44 1.730 7.313 -8.767 1.00 31.32 H new ATOM 0 HB3 PRO A 44 0.876 5.809 -9.054 1.00 31.32 H new ATOM 0 HG2 PRO A 44 -0.247 8.572 -8.622 1.00 2.02 H new ATOM 0 HG3 PRO A 44 -0.730 7.360 -9.792 1.00 2.02 H new ATOM 0 HD2 PRO A 44 -2.083 7.778 -7.421 1.00 10.10 H new ATOM 0 HD3 PRO A 44 -2.089 6.239 -8.259 1.00 10.10 H new ATOM 681 N ILE A 45 2.676 7.363 -5.673 1.00 51.23 N ATOM 682 CA ILE A 45 3.343 8.261 -4.712 1.00 14.10 C ATOM 683 C ILE A 45 3.347 9.748 -5.143 1.00 72.01 C ATOM 684 O ILE A 45 3.416 10.645 -4.299 1.00 53.34 O ATOM 685 CB ILE A 45 4.790 7.781 -4.445 1.00 33.15 C ATOM 686 CG1 ILE A 45 5.405 8.512 -3.238 1.00 11.21 C ATOM 687 CG2 ILE A 45 5.660 7.956 -5.689 1.00 4.03 C ATOM 688 CD1 ILE A 45 6.713 7.911 -2.767 1.00 41.30 C ATOM 0 H ILE A 45 3.226 6.539 -5.917 1.00 51.23 H new ATOM 0 HA ILE A 45 2.756 8.211 -3.795 1.00 14.10 H new ATOM 0 HB ILE A 45 4.750 6.718 -4.206 1.00 33.15 H new ATOM 0 HG12 ILE A 45 5.569 9.557 -3.502 1.00 11.21 H new ATOM 0 HG13 ILE A 45 4.691 8.499 -2.414 1.00 11.21 H new ATOM 0 HG21 ILE A 45 6.672 7.612 -5.476 1.00 4.03 H new ATOM 0 HG22 ILE A 45 5.243 7.372 -6.510 1.00 4.03 H new ATOM 0 HG23 ILE A 45 5.686 9.009 -5.969 1.00 4.03 H new ATOM 0 HD11 ILE A 45 7.087 8.477 -1.914 1.00 41.30 H new ATOM 0 HD12 ILE A 45 6.552 6.874 -2.471 1.00 41.30 H new ATOM 0 HD13 ILE A 45 7.443 7.948 -3.576 1.00 41.30 H new ATOM 700 N GLU A 46 3.271 10.008 -6.448 1.00 42.04 N ATOM 701 CA GLU A 46 3.210 11.389 -6.954 1.00 33.42 C ATOM 702 C GLU A 46 1.844 12.028 -6.654 1.00 63.40 C ATOM 703 O GLU A 46 1.758 13.138 -6.127 1.00 53.44 O ATOM 704 CB GLU A 46 3.455 11.426 -8.469 1.00 52.31 C ATOM 705 CG GLU A 46 4.655 10.611 -8.941 1.00 63.03 C ATOM 706 CD GLU A 46 4.946 10.811 -10.422 1.00 35.43 C ATOM 707 OE1 GLU A 46 4.107 10.409 -11.258 1.00 32.35 O ATOM 708 OE2 GLU A 46 6.000 11.390 -10.756 1.00 21.13 O ATOM 0 H GLU A 46 3.250 9.291 -7.173 1.00 42.04 H new ATOM 0 HA GLU A 46 3.990 11.955 -6.445 1.00 33.42 H new ATOM 0 HB2 GLU A 46 2.562 11.060 -8.977 1.00 52.31 H new ATOM 0 HB3 GLU A 46 3.594 12.463 -8.776 1.00 52.31 H new ATOM 0 HG2 GLU A 46 5.533 10.892 -8.360 1.00 63.03 H new ATOM 0 HG3 GLU A 46 4.471 9.554 -8.749 1.00 63.03 H new ATOM 715 N ASP A 47 0.778 11.309 -6.995 1.00 3.44 N ATOM 716 CA ASP A 47 -0.593 11.804 -6.834 1.00 24.32 C ATOM 717 C ASP A 47 -1.228 11.302 -5.526 1.00 4.52 C ATOM 718 O ASP A 47 -2.398 11.559 -5.260 1.00 10.42 O ATOM 719 CB ASP A 47 -1.442 11.341 -8.024 1.00 25.43 C ATOM 720 CG ASP A 47 -0.839 11.737 -9.357 1.00 61.02 C ATOM 721 OD1 ASP A 47 0.141 11.096 -9.787 1.00 24.23 O ATOM 722 OD2 ASP A 47 -1.343 12.690 -9.983 1.00 71.52 O ATOM 0 H ASP A 47 0.836 10.370 -7.389 1.00 3.44 H new ATOM 0 HA ASP A 47 -0.557 12.893 -6.794 1.00 24.32 H new ATOM 0 HB2 ASP A 47 -1.553 10.257 -7.987 1.00 25.43 H new ATOM 0 HB3 ASP A 47 -2.442 11.767 -7.940 1.00 25.43 H new ATOM 727 N LEU A 48 -0.438 10.598 -4.718 1.00 73.43 N ATOM 728 CA LEU A 48 -0.926 9.923 -3.503 1.00 41.51 C ATOM 729 C LEU A 48 -1.871 10.794 -2.651 1.00 24.14 C ATOM 730 O LEU A 48 -2.990 10.382 -2.348 1.00 12.01 O ATOM 731 CB LEU A 48 0.263 9.468 -2.651 1.00 12.12 C ATOM 732 CG LEU A 48 -0.099 8.771 -1.330 1.00 11.12 C ATOM 733 CD1 LEU A 48 -0.883 7.484 -1.583 1.00 13.12 C ATOM 734 CD2 LEU A 48 1.161 8.490 -0.523 1.00 13.12 C ATOM 0 H LEU A 48 0.561 10.475 -4.882 1.00 73.43 H new ATOM 0 HA LEU A 48 -1.510 9.066 -3.838 1.00 41.51 H new ATOM 0 HB2 LEU A 48 0.874 8.788 -3.245 1.00 12.12 H new ATOM 0 HB3 LEU A 48 0.880 10.338 -2.426 1.00 12.12 H new ATOM 0 HG LEU A 48 -0.740 9.439 -0.754 1.00 11.12 H new ATOM 0 HD11 LEU A 48 -1.125 7.012 -0.631 1.00 13.12 H new ATOM 0 HD12 LEU A 48 -1.804 7.718 -2.117 1.00 13.12 H new ATOM 0 HD13 LEU A 48 -0.280 6.802 -2.182 1.00 13.12 H new ATOM 0 HD21 LEU A 48 0.892 7.996 0.411 1.00 13.12 H new ATOM 0 HD22 LEU A 48 1.824 7.844 -1.098 1.00 13.12 H new ATOM 0 HD23 LEU A 48 1.670 9.429 -0.304 1.00 13.12 H new ATOM 746 N VAL A 49 -1.415 11.987 -2.263 1.00 71.51 N ATOM 747 CA VAL A 49 -2.217 12.884 -1.415 1.00 70.05 C ATOM 748 C VAL A 49 -3.591 13.180 -2.043 1.00 62.11 C ATOM 749 O VAL A 49 -4.634 12.997 -1.411 1.00 31.20 O ATOM 750 CB VAL A 49 -1.468 14.220 -1.153 1.00 0.11 C ATOM 751 CG1 VAL A 49 -2.322 15.182 -0.327 1.00 25.52 C ATOM 752 CG2 VAL A 49 -0.131 13.954 -0.461 1.00 74.02 C ATOM 0 H VAL A 49 -0.499 12.357 -2.519 1.00 71.51 H new ATOM 0 HA VAL A 49 -2.373 12.369 -0.467 1.00 70.05 H new ATOM 0 HB VAL A 49 -1.274 14.692 -2.116 1.00 0.11 H new ATOM 0 HG11 VAL A 49 -1.770 16.107 -0.161 1.00 25.52 H new ATOM 0 HG12 VAL A 49 -3.245 15.401 -0.864 1.00 25.52 H new ATOM 0 HG13 VAL A 49 -2.560 14.724 0.633 1.00 25.52 H new ATOM 0 HG21 VAL A 49 0.382 14.900 -0.284 1.00 74.02 H new ATOM 0 HG22 VAL A 49 -0.307 13.453 0.491 1.00 74.02 H new ATOM 0 HG23 VAL A 49 0.487 13.319 -1.096 1.00 74.02 H new ATOM 762 N ASP A 50 -3.571 13.628 -3.293 1.00 5.53 N ATOM 763 CA ASP A 50 -4.790 13.901 -4.067 1.00 53.15 C ATOM 764 C ASP A 50 -5.703 12.659 -4.168 1.00 53.12 C ATOM 765 O ASP A 50 -6.889 12.708 -3.832 1.00 24.42 O ATOM 766 CB ASP A 50 -4.385 14.386 -5.468 1.00 1.24 C ATOM 767 CG ASP A 50 -5.545 14.434 -6.446 1.00 34.44 C ATOM 768 OD1 ASP A 50 -6.366 15.370 -6.361 1.00 13.30 O ATOM 769 OD2 ASP A 50 -5.644 13.532 -7.304 1.00 44.41 O ATOM 0 H ASP A 50 -2.709 13.815 -3.806 1.00 5.53 H new ATOM 0 HA ASP A 50 -5.364 14.672 -3.552 1.00 53.15 H new ATOM 0 HB2 ASP A 50 -3.945 15.380 -5.388 1.00 1.24 H new ATOM 0 HB3 ASP A 50 -3.612 13.727 -5.864 1.00 1.24 H new ATOM 774 N ARG A 51 -5.131 11.549 -4.629 1.00 14.21 N ATOM 775 CA ARG A 51 -5.875 10.296 -4.823 1.00 23.30 C ATOM 776 C ARG A 51 -6.523 9.801 -3.520 1.00 43.24 C ATOM 777 O ARG A 51 -7.712 9.474 -3.486 1.00 51.04 O ATOM 778 CB ARG A 51 -4.936 9.212 -5.363 1.00 10.42 C ATOM 779 CG ARG A 51 -4.308 9.540 -6.708 1.00 72.45 C ATOM 780 CD ARG A 51 -5.359 9.695 -7.794 1.00 51.23 C ATOM 781 NE ARG A 51 -4.769 10.091 -9.076 1.00 33.24 N ATOM 782 CZ ARG A 51 -5.292 10.966 -9.895 1.00 53.41 C ATOM 783 NH1 ARG A 51 -6.404 11.568 -9.598 1.00 13.05 N ATOM 784 NH2 ARG A 51 -4.695 11.246 -11.014 1.00 61.22 N ATOM 0 H ARG A 51 -4.144 11.487 -4.879 1.00 14.21 H new ATOM 0 HA ARG A 51 -6.671 10.498 -5.539 1.00 23.30 H new ATOM 0 HB2 ARG A 51 -4.142 9.041 -4.636 1.00 10.42 H new ATOM 0 HB3 ARG A 51 -5.492 8.279 -5.453 1.00 10.42 H new ATOM 0 HG2 ARG A 51 -3.731 10.461 -6.626 1.00 72.45 H new ATOM 0 HG3 ARG A 51 -3.610 8.750 -6.986 1.00 72.45 H new ATOM 0 HD2 ARG A 51 -5.895 8.754 -7.917 1.00 51.23 H new ATOM 0 HD3 ARG A 51 -6.091 10.441 -7.486 1.00 51.23 H new ATOM 0 HE ARG A 51 -3.889 9.653 -9.348 1.00 33.24 H new ATOM 0 HH11 ARG A 51 -6.878 11.360 -8.719 1.00 13.05 H new ATOM 0 HH12 ARG A 51 -6.804 12.249 -10.244 1.00 13.05 H new ATOM 0 HH21 ARG A 51 -3.818 10.783 -11.254 1.00 61.22 H new ATOM 0 HH22 ARG A 51 -5.103 11.929 -11.653 1.00 61.22 H new ATOM 798 N ALA A 52 -5.730 9.746 -2.453 1.00 53.11 N ATOM 799 CA ALA A 52 -6.210 9.265 -1.154 1.00 33.44 C ATOM 800 C ALA A 52 -7.302 10.179 -0.582 1.00 63.50 C ATOM 801 O ALA A 52 -8.341 9.703 -0.126 1.00 12.33 O ATOM 802 CB ALA A 52 -5.049 9.141 -0.174 1.00 25.23 C ATOM 0 H ALA A 52 -4.750 10.028 -2.459 1.00 53.11 H new ATOM 0 HA ALA A 52 -6.651 8.280 -1.305 1.00 33.44 H new ATOM 0 HB1 ALA A 52 -5.420 8.783 0.786 1.00 25.23 H new ATOM 0 HB2 ALA A 52 -4.316 8.436 -0.566 1.00 25.23 H new ATOM 0 HB3 ALA A 52 -4.580 10.116 -0.041 1.00 25.23 H new ATOM 808 N SER A 53 -7.072 11.493 -0.621 1.00 30.13 N ATOM 809 CA SER A 53 -8.067 12.474 -0.145 1.00 62.24 C ATOM 810 C SER A 53 -9.401 12.336 -0.898 1.00 51.43 C ATOM 811 O SER A 53 -10.451 12.743 -0.401 1.00 15.04 O ATOM 812 CB SER A 53 -7.540 13.911 -0.301 1.00 31.02 C ATOM 813 OG SER A 53 -6.339 14.110 0.434 1.00 64.14 O ATOM 0 H SER A 53 -6.210 11.908 -0.975 1.00 30.13 H new ATOM 0 HA SER A 53 -8.240 12.266 0.911 1.00 62.24 H new ATOM 0 HB2 SER A 53 -7.361 14.121 -1.355 1.00 31.02 H new ATOM 0 HB3 SER A 53 -8.298 14.616 0.041 1.00 31.02 H new ATOM 0 HG SER A 53 -5.580 13.762 -0.079 1.00 64.14 H new ATOM 819 N SER A 54 -9.346 11.768 -2.102 1.00 32.03 N ATOM 820 CA SER A 54 -10.550 11.549 -2.921 1.00 44.32 C ATOM 821 C SER A 54 -11.312 10.272 -2.524 1.00 13.30 C ATOM 822 O SER A 54 -12.465 10.334 -2.091 1.00 1.13 O ATOM 823 CB SER A 54 -10.170 11.464 -4.406 1.00 54.15 C ATOM 824 OG SER A 54 -11.282 11.072 -5.198 1.00 74.03 O ATOM 0 H SER A 54 -8.481 11.448 -2.538 1.00 32.03 H new ATOM 0 HA SER A 54 -11.208 12.399 -2.744 1.00 44.32 H new ATOM 0 HB2 SER A 54 -9.801 12.432 -4.746 1.00 54.15 H new ATOM 0 HB3 SER A 54 -9.357 10.749 -4.536 1.00 54.15 H new ATOM 0 HG SER A 54 -11.014 11.027 -6.139 1.00 74.03 H new ATOM 830 N SER A 55 -10.667 9.114 -2.675 1.00 13.11 N ATOM 831 CA SER A 55 -11.346 7.816 -2.495 1.00 14.11 C ATOM 832 C SER A 55 -11.203 7.254 -1.069 1.00 34.53 C ATOM 833 O SER A 55 -11.695 6.163 -0.782 1.00 51.45 O ATOM 834 CB SER A 55 -10.789 6.786 -3.492 1.00 71.02 C ATOM 835 OG SER A 55 -10.875 7.247 -4.833 1.00 12.24 O ATOM 0 H SER A 55 -9.680 9.041 -2.920 1.00 13.11 H new ATOM 0 HA SER A 55 -12.406 7.996 -2.676 1.00 14.11 H new ATOM 0 HB2 SER A 55 -9.749 6.570 -3.248 1.00 71.02 H new ATOM 0 HB3 SER A 55 -11.340 5.851 -3.394 1.00 71.02 H new ATOM 0 HG SER A 55 -10.510 6.567 -5.437 1.00 12.24 H new ATOM 841 N LEU A 56 -10.527 7.984 -0.185 1.00 1.24 N ATOM 842 CA LEU A 56 -10.269 7.496 1.180 1.00 75.03 C ATOM 843 C LEU A 56 -10.519 8.568 2.239 1.00 34.15 C ATOM 844 O LEU A 56 -10.553 9.765 1.948 1.00 73.54 O ATOM 845 CB LEU A 56 -8.820 7.012 1.304 1.00 43.22 C ATOM 846 CG LEU A 56 -8.470 5.756 0.500 1.00 34.51 C ATOM 847 CD1 LEU A 56 -6.964 5.543 0.494 1.00 12.21 C ATOM 848 CD2 LEU A 56 -9.181 4.536 1.079 1.00 2.51 C ATOM 0 H LEU A 56 -10.148 8.910 -0.381 1.00 1.24 H new ATOM 0 HA LEU A 56 -10.964 6.674 1.355 1.00 75.03 H new ATOM 0 HB2 LEU A 56 -8.158 7.819 0.989 1.00 43.22 H new ATOM 0 HB3 LEU A 56 -8.609 6.819 2.356 1.00 43.22 H new ATOM 0 HG LEU A 56 -8.808 5.892 -0.527 1.00 34.51 H new ATOM 0 HD11 LEU A 56 -6.725 4.648 -0.080 1.00 12.21 H new ATOM 0 HD12 LEU A 56 -6.476 6.406 0.040 1.00 12.21 H new ATOM 0 HD13 LEU A 56 -6.609 5.423 1.518 1.00 12.21 H new ATOM 0 HD21 LEU A 56 -8.921 3.653 0.496 1.00 2.51 H new ATOM 0 HD22 LEU A 56 -8.871 4.392 2.114 1.00 2.51 H new ATOM 0 HD23 LEU A 56 -10.259 4.691 1.041 1.00 2.51 H new ATOM 860 N GLU A 57 -10.716 8.121 3.475 1.00 13.23 N ATOM 861 CA GLU A 57 -10.764 9.021 4.624 1.00 11.31 C ATOM 862 C GLU A 57 -9.422 9.084 5.331 1.00 72.23 C ATOM 863 O GLU A 57 -8.489 8.354 5.005 1.00 21.05 O ATOM 864 CB GLU A 57 -11.814 8.581 5.644 1.00 43.21 C ATOM 865 CG GLU A 57 -13.233 8.628 5.124 1.00 22.53 C ATOM 866 CD GLU A 57 -13.721 7.273 4.628 1.00 62.12 C ATOM 867 OE1 GLU A 57 -13.093 6.703 3.713 1.00 35.12 O ATOM 868 OE2 GLU A 57 -14.727 6.763 5.161 1.00 41.12 O ATOM 0 H GLU A 57 -10.846 7.137 3.708 1.00 13.23 H new ATOM 0 HA GLU A 57 -11.026 10.003 4.230 1.00 11.31 H new ATOM 0 HB2 GLU A 57 -11.589 7.564 5.966 1.00 43.21 H new ATOM 0 HB3 GLU A 57 -11.739 9.218 6.525 1.00 43.21 H new ATOM 0 HG2 GLU A 57 -13.894 8.981 5.915 1.00 22.53 H new ATOM 0 HG3 GLU A 57 -13.294 9.352 4.311 1.00 22.53 H new ATOM 875 N LYS A 58 -9.359 9.928 6.341 1.00 50.32 N ATOM 876 CA LYS A 58 -8.141 10.094 7.132 1.00 75.32 C ATOM 877 C LYS A 58 -8.163 9.170 8.358 1.00 71.20 C ATOM 878 O LYS A 58 -7.118 8.758 8.864 1.00 33.53 O ATOM 879 CB LYS A 58 -7.981 11.560 7.536 1.00 54.41 C ATOM 880 CG LYS A 58 -7.886 12.494 6.332 1.00 72.54 C ATOM 881 CD LYS A 58 -7.700 13.951 6.746 1.00 2.41 C ATOM 882 CE LYS A 58 -7.679 14.889 5.543 1.00 44.43 C ATOM 883 NZ LYS A 58 -7.651 16.318 5.953 1.00 70.03 N ATOM 0 H LYS A 58 -10.137 10.515 6.640 1.00 50.32 H new ATOM 0 HA LYS A 58 -7.279 9.812 6.527 1.00 75.32 H new ATOM 0 HB2 LYS A 58 -8.827 11.857 8.155 1.00 54.41 H new ATOM 0 HB3 LYS A 58 -7.085 11.669 8.147 1.00 54.41 H new ATOM 0 HG2 LYS A 58 -7.051 12.188 5.702 1.00 72.54 H new ATOM 0 HG3 LYS A 58 -8.790 12.402 5.730 1.00 72.54 H new ATOM 0 HD2 LYS A 58 -8.507 14.242 7.419 1.00 2.41 H new ATOM 0 HD3 LYS A 58 -6.768 14.054 7.302 1.00 2.41 H new ATOM 0 HE2 LYS A 58 -6.806 14.671 4.928 1.00 44.43 H new ATOM 0 HE3 LYS A 58 -8.558 14.706 4.925 1.00 44.43 H new ATOM 0 HZ1 LYS A 58 -7.637 16.922 5.106 1.00 70.03 H new ATOM 0 HZ2 LYS A 58 -8.497 16.534 6.518 1.00 70.03 H new ATOM 0 HZ3 LYS A 58 -6.799 16.499 6.521 1.00 70.03 H new ATOM 897 N SER A 59 -9.367 8.843 8.824 1.00 13.20 N ATOM 898 CA SER A 59 -9.544 7.847 9.893 1.00 32.32 C ATOM 899 C SER A 59 -9.667 6.426 9.317 1.00 64.42 C ATOM 900 O SER A 59 -9.770 5.455 10.063 1.00 31.40 O ATOM 901 CB SER A 59 -10.785 8.169 10.740 1.00 62.32 C ATOM 902 OG SER A 59 -10.656 9.425 11.387 1.00 25.43 O ATOM 0 H SER A 59 -10.237 9.250 8.482 1.00 13.20 H new ATOM 0 HA SER A 59 -8.659 7.890 10.527 1.00 32.32 H new ATOM 0 HB2 SER A 59 -11.670 8.174 10.104 1.00 62.32 H new ATOM 0 HB3 SER A 59 -10.932 7.387 11.485 1.00 62.32 H new ATOM 0 HG SER A 59 -11.461 9.604 11.917 1.00 25.43 H new ATOM 908 N ARG A 60 -9.659 6.319 7.987 1.00 40.40 N ATOM 909 CA ARG A 60 -9.718 5.021 7.294 1.00 31.43 C ATOM 910 C ARG A 60 -8.428 4.214 7.535 1.00 44.23 C ATOM 911 O ARG A 60 -7.328 4.757 7.449 1.00 23.43 O ATOM 912 CB ARG A 60 -9.922 5.251 5.782 1.00 40.32 C ATOM 913 CG ARG A 60 -10.037 3.969 4.953 1.00 43.15 C ATOM 914 CD ARG A 60 -11.360 3.248 5.187 1.00 41.52 C ATOM 915 NE ARG A 60 -12.504 4.022 4.698 1.00 13.52 N ATOM 916 CZ ARG A 60 -13.679 3.513 4.438 1.00 44.41 C ATOM 917 NH1 ARG A 60 -13.900 2.248 4.582 1.00 33.32 N ATOM 918 NH2 ARG A 60 -14.633 4.280 4.026 1.00 70.41 N ATOM 0 H ARG A 60 -9.612 7.121 7.359 1.00 40.40 H new ATOM 0 HA ARG A 60 -10.557 4.450 7.691 1.00 31.43 H new ATOM 0 HB2 ARG A 60 -10.825 5.845 5.636 1.00 40.32 H new ATOM 0 HB3 ARG A 60 -9.088 5.841 5.402 1.00 40.32 H new ATOM 0 HG2 ARG A 60 -9.940 4.213 3.895 1.00 43.15 H new ATOM 0 HG3 ARG A 60 -9.212 3.302 5.203 1.00 43.15 H new ATOM 0 HD2 ARG A 60 -11.338 2.280 4.687 1.00 41.52 H new ATOM 0 HD3 ARG A 60 -11.483 3.054 6.253 1.00 41.52 H new ATOM 0 HE ARG A 60 -12.375 5.023 4.551 1.00 13.52 H new ATOM 0 HH11 ARG A 60 -13.152 1.633 4.902 1.00 33.32 H new ATOM 0 HH12 ARG A 60 -14.822 1.865 4.375 1.00 33.32 H new ATOM 0 HH21 ARG A 60 -14.468 5.279 3.905 1.00 70.41 H new ATOM 0 HH22 ARG A 60 -15.552 3.887 3.822 1.00 70.41 H new ATOM 932 N ASP A 61 -8.571 2.928 7.852 1.00 60.12 N ATOM 933 CA ASP A 61 -7.417 2.044 8.058 1.00 64.53 C ATOM 934 C ASP A 61 -6.648 1.826 6.738 1.00 11.43 C ATOM 935 O ASP A 61 -7.013 0.979 5.920 1.00 50.32 O ATOM 936 CB ASP A 61 -7.888 0.704 8.634 1.00 11.33 C ATOM 937 CG ASP A 61 -8.706 0.886 9.900 1.00 32.31 C ATOM 938 OD1 ASP A 61 -9.825 1.434 9.812 1.00 15.01 O ATOM 939 OD2 ASP A 61 -8.233 0.508 10.990 1.00 12.32 O ATOM 0 H ASP A 61 -9.475 2.471 7.973 1.00 60.12 H new ATOM 0 HA ASP A 61 -6.737 2.517 8.767 1.00 64.53 H new ATOM 0 HB2 ASP A 61 -8.485 0.179 7.889 1.00 11.33 H new ATOM 0 HB3 ASP A 61 -7.022 0.077 8.848 1.00 11.33 H new ATOM 944 N ILE A 62 -5.593 2.613 6.534 1.00 15.40 N ATOM 945 CA ILE A 62 -4.850 2.619 5.268 1.00 44.40 C ATOM 946 C ILE A 62 -3.455 1.978 5.390 1.00 61.30 C ATOM 947 O ILE A 62 -2.689 2.276 6.307 1.00 22.11 O ATOM 948 CB ILE A 62 -4.705 4.072 4.748 1.00 13.45 C ATOM 949 CG1 ILE A 62 -6.096 4.657 4.438 1.00 64.42 C ATOM 950 CG2 ILE A 62 -3.804 4.130 3.515 1.00 43.12 C ATOM 951 CD1 ILE A 62 -6.078 6.117 4.035 1.00 14.14 C ATOM 0 H ILE A 62 -5.229 3.260 7.233 1.00 15.40 H new ATOM 0 HA ILE A 62 -5.424 2.018 4.563 1.00 44.40 H new ATOM 0 HB ILE A 62 -4.234 4.673 5.526 1.00 13.45 H new ATOM 0 HG12 ILE A 62 -6.552 4.076 3.637 1.00 64.42 H new ATOM 0 HG13 ILE A 62 -6.731 4.542 5.317 1.00 64.42 H new ATOM 0 HG21 ILE A 62 -3.721 5.162 3.173 1.00 43.12 H new ATOM 0 HG22 ILE A 62 -2.814 3.752 3.770 1.00 43.12 H new ATOM 0 HG23 ILE A 62 -4.233 3.518 2.722 1.00 43.12 H new ATOM 0 HD11 ILE A 62 -7.096 6.452 3.834 1.00 14.14 H new ATOM 0 HD12 ILE A 62 -5.653 6.712 4.843 1.00 14.14 H new ATOM 0 HD13 ILE A 62 -5.472 6.239 3.137 1.00 14.14 H new ATOM 963 N TYR A 63 -3.135 1.102 4.439 1.00 40.51 N ATOM 964 CA TYR A 63 -1.815 0.466 4.350 1.00 61.20 C ATOM 965 C TYR A 63 -1.148 0.794 3.009 1.00 3.41 C ATOM 966 O TYR A 63 -1.765 0.685 1.953 1.00 54.41 O ATOM 967 CB TYR A 63 -1.941 -1.055 4.521 1.00 54.55 C ATOM 968 CG TYR A 63 -2.301 -1.474 5.931 1.00 21.14 C ATOM 969 CD1 TYR A 63 -3.624 -1.498 6.356 1.00 0.24 C ATOM 970 CD2 TYR A 63 -1.314 -1.827 6.842 1.00 40.22 C ATOM 971 CE1 TYR A 63 -3.950 -1.868 7.646 1.00 61.55 C ATOM 972 CE2 TYR A 63 -1.633 -2.196 8.133 1.00 40.31 C ATOM 973 CZ TYR A 63 -2.951 -2.213 8.529 1.00 44.33 C ATOM 974 OH TYR A 63 -3.271 -2.579 9.812 1.00 24.05 O ATOM 0 H TYR A 63 -3.782 0.811 3.706 1.00 40.51 H new ATOM 0 HA TYR A 63 -1.191 0.858 5.153 1.00 61.20 H new ATOM 0 HB2 TYR A 63 -2.700 -1.429 3.834 1.00 54.55 H new ATOM 0 HB3 TYR A 63 -0.998 -1.524 4.240 1.00 54.55 H new ATOM 0 HD1 TYR A 63 -4.409 -1.223 5.667 1.00 0.24 H new ATOM 0 HD2 TYR A 63 -0.279 -1.812 6.535 1.00 40.22 H new ATOM 0 HE1 TYR A 63 -4.983 -1.887 7.961 1.00 61.55 H new ATOM 0 HE2 TYR A 63 -0.853 -2.470 8.828 1.00 40.31 H new ATOM 0 HH TYR A 63 -4.157 -2.997 9.821 1.00 24.05 H new ATOM 984 N VAL A 64 0.117 1.188 3.060 1.00 20.42 N ATOM 985 CA VAL A 64 0.847 1.640 1.870 1.00 5.13 C ATOM 986 C VAL A 64 2.051 0.738 1.557 1.00 34.03 C ATOM 987 O VAL A 64 2.805 0.371 2.457 1.00 74.14 O ATOM 988 CB VAL A 64 1.336 3.097 2.073 1.00 42.34 C ATOM 989 CG1 VAL A 64 2.319 3.515 0.985 1.00 11.34 C ATOM 990 CG2 VAL A 64 0.149 4.058 2.127 1.00 72.20 C ATOM 0 H VAL A 64 0.668 1.206 3.918 1.00 20.42 H new ATOM 0 HA VAL A 64 0.159 1.589 1.026 1.00 5.13 H new ATOM 0 HB VAL A 64 1.863 3.140 3.026 1.00 42.34 H new ATOM 0 HG11 VAL A 64 2.640 4.542 1.160 1.00 11.34 H new ATOM 0 HG12 VAL A 64 3.186 2.855 1.005 1.00 11.34 H new ATOM 0 HG13 VAL A 64 1.834 3.447 0.011 1.00 11.34 H new ATOM 0 HG21 VAL A 64 0.511 5.076 2.270 1.00 72.20 H new ATOM 0 HG22 VAL A 64 -0.409 3.999 1.193 1.00 72.20 H new ATOM 0 HG23 VAL A 64 -0.503 3.785 2.957 1.00 72.20 H new ATOM 1000 N TYR A 65 2.234 0.379 0.278 1.00 72.33 N ATOM 1001 CA TYR A 65 3.417 -0.387 -0.133 1.00 1.32 C ATOM 1002 C TYR A 65 4.058 0.190 -1.410 1.00 13.22 C ATOM 1003 O TYR A 65 3.386 0.439 -2.416 1.00 15.24 O ATOM 1004 CB TYR A 65 3.075 -1.879 -0.308 1.00 72.21 C ATOM 1005 CG TYR A 65 2.260 -2.238 -1.543 1.00 74.22 C ATOM 1006 CD1 TYR A 65 0.940 -1.830 -1.690 1.00 52.14 C ATOM 1007 CD2 TYR A 65 2.818 -3.006 -2.557 1.00 54.02 C ATOM 1008 CE1 TYR A 65 0.204 -2.179 -2.811 1.00 24.01 C ATOM 1009 CE2 TYR A 65 2.090 -3.361 -3.676 1.00 1.31 C ATOM 1010 CZ TYR A 65 0.784 -2.946 -3.799 1.00 1.34 C ATOM 1011 OH TYR A 65 0.054 -3.303 -4.913 1.00 74.15 O ATOM 0 H TYR A 65 1.588 0.603 -0.479 1.00 72.33 H new ATOM 0 HA TYR A 65 4.154 -0.300 0.665 1.00 1.32 H new ATOM 0 HB2 TYR A 65 4.007 -2.444 -0.336 1.00 72.21 H new ATOM 0 HB3 TYR A 65 2.527 -2.211 0.574 1.00 72.21 H new ATOM 0 HD1 TYR A 65 0.480 -1.231 -0.918 1.00 52.14 H new ATOM 0 HD2 TYR A 65 3.844 -3.333 -2.469 1.00 54.02 H new ATOM 0 HE1 TYR A 65 -0.820 -1.851 -2.910 1.00 24.01 H new ATOM 0 HE2 TYR A 65 2.544 -3.961 -4.451 1.00 1.31 H new ATOM 0 HH TYR A 65 0.216 -2.657 -5.631 1.00 74.15 H new ATOM 1021 N GLY A 66 5.368 0.422 -1.341 1.00 2.43 N ATOM 1022 CA GLY A 66 6.126 0.915 -2.486 1.00 63.21 C ATOM 1023 C GLY A 66 7.044 -0.149 -3.076 1.00 1.54 C ATOM 1024 O GLY A 66 6.998 -1.315 -2.676 1.00 70.43 O ATOM 0 H GLY A 66 5.927 0.275 -0.500 1.00 2.43 H new ATOM 0 HA2 GLY A 66 5.435 1.261 -3.254 1.00 63.21 H new ATOM 0 HA3 GLY A 66 6.721 1.776 -2.181 1.00 63.21 H new ATOM 1028 N ALA A 67 7.869 0.242 -4.044 1.00 44.43 N ATOM 1029 CA ALA A 67 8.864 -0.670 -4.616 1.00 22.14 C ATOM 1030 C ALA A 67 9.988 -0.934 -3.609 1.00 71.52 C ATOM 1031 O ALA A 67 10.334 -2.083 -3.322 1.00 74.41 O ATOM 1032 CB ALA A 67 9.420 -0.095 -5.912 1.00 71.02 C ATOM 0 H ALA A 67 7.871 1.178 -4.449 1.00 44.43 H new ATOM 0 HA ALA A 67 8.381 -1.621 -4.842 1.00 22.14 H new ATOM 0 HB1 ALA A 67 10.158 -0.781 -6.327 1.00 71.02 H new ATOM 0 HB2 ALA A 67 8.609 0.042 -6.627 1.00 71.02 H new ATOM 0 HB3 ALA A 67 9.892 0.867 -5.710 1.00 71.02 H new ATOM 1038 N GLY A 68 10.548 0.146 -3.078 1.00 34.43 N ATOM 1039 CA GLY A 68 11.522 0.044 -2.003 1.00 3.11 C ATOM 1040 C GLY A 68 10.950 0.466 -0.653 1.00 34.31 C ATOM 1041 O GLY A 68 10.025 1.281 -0.589 1.00 45.52 O ATOM 0 H GLY A 68 10.344 1.100 -3.375 1.00 34.43 H new ATOM 0 HA2 GLY A 68 11.879 -0.984 -1.937 1.00 3.11 H new ATOM 0 HA3 GLY A 68 12.385 0.667 -2.239 1.00 3.11 H new ATOM 1045 N ASP A 69 11.502 -0.087 0.425 1.00 24.24 N ATOM 1046 CA ASP A 69 11.078 0.235 1.793 1.00 1.51 C ATOM 1047 C ASP A 69 11.001 1.758 2.030 1.00 71.15 C ATOM 1048 O ASP A 69 10.049 2.262 2.630 1.00 72.25 O ATOM 1049 CB ASP A 69 12.054 -0.409 2.786 1.00 24.13 C ATOM 1050 CG ASP A 69 11.585 -0.297 4.224 1.00 51.22 C ATOM 1051 OD1 ASP A 69 10.813 -1.168 4.668 1.00 4.02 O ATOM 1052 OD2 ASP A 69 11.987 0.656 4.919 1.00 72.43 O ATOM 0 H ASP A 69 12.257 -0.772 0.379 1.00 24.24 H new ATOM 0 HA ASP A 69 10.075 -0.164 1.943 1.00 1.51 H new ATOM 0 HB2 ASP A 69 12.184 -1.461 2.531 1.00 24.13 H new ATOM 0 HB3 ASP A 69 13.031 0.065 2.689 1.00 24.13 H new ATOM 1057 N GLU A 70 11.998 2.482 1.530 1.00 30.53 N ATOM 1058 CA GLU A 70 12.072 3.937 1.718 1.00 4.04 C ATOM 1059 C GLU A 70 10.966 4.677 0.935 1.00 4.03 C ATOM 1060 O GLU A 70 10.409 5.667 1.419 1.00 65.14 O ATOM 1061 CB GLU A 70 13.463 4.433 1.310 1.00 30.15 C ATOM 1062 CG GLU A 70 13.708 5.906 1.597 1.00 62.43 C ATOM 1063 CD GLU A 70 15.163 6.302 1.405 1.00 53.45 C ATOM 1064 OE1 GLU A 70 15.590 6.480 0.246 1.00 53.30 O ATOM 1065 OE2 GLU A 70 15.889 6.431 2.413 1.00 41.14 O ATOM 0 H GLU A 70 12.769 2.089 0.990 1.00 30.53 H new ATOM 0 HA GLU A 70 11.907 4.156 2.773 1.00 4.04 H new ATOM 0 HB2 GLU A 70 14.215 3.842 1.833 1.00 30.15 H new ATOM 0 HB3 GLU A 70 13.602 4.254 0.244 1.00 30.15 H new ATOM 0 HG2 GLU A 70 13.081 6.510 0.941 1.00 62.43 H new ATOM 0 HG3 GLU A 70 13.406 6.129 2.620 1.00 62.43 H new ATOM 1072 N GLN A 71 10.648 4.201 -0.275 1.00 73.14 N ATOM 1073 CA GLN A 71 9.505 4.737 -1.038 1.00 41.11 C ATOM 1074 C GLN A 71 8.216 4.572 -0.228 1.00 33.53 C ATOM 1075 O GLN A 71 7.397 5.487 -0.125 1.00 51.51 O ATOM 1076 CB GLN A 71 9.347 4.010 -2.388 1.00 63.51 C ATOM 1077 CG GLN A 71 8.319 4.650 -3.319 1.00 2.30 C ATOM 1078 CD GLN A 71 8.391 4.099 -4.735 1.00 32.43 C ATOM 1079 OE1 GLN A 71 9.430 3.614 -5.171 1.00 64.54 O ATOM 1080 NE2 GLN A 71 7.310 4.199 -5.475 1.00 50.23 N ATOM 0 H GLN A 71 11.158 3.454 -0.746 1.00 73.14 H new ATOM 0 HA GLN A 71 9.695 5.793 -1.229 1.00 41.11 H new ATOM 0 HB2 GLN A 71 10.313 3.986 -2.892 1.00 63.51 H new ATOM 0 HB3 GLN A 71 9.059 2.976 -2.201 1.00 63.51 H new ATOM 0 HG2 GLN A 71 7.319 4.484 -2.919 1.00 2.30 H new ATOM 0 HG3 GLN A 71 8.478 5.728 -3.344 1.00 2.30 H new ATOM 0 HE21 GLN A 71 6.461 4.607 -5.085 1.00 50.23 H new ATOM 0 HE22 GLN A 71 7.320 3.869 -6.440 1.00 50.23 H new ATOM 1089 N THR A 72 8.065 3.381 0.346 1.00 45.14 N ATOM 1090 CA THR A 72 6.920 3.043 1.191 1.00 3.33 C ATOM 1091 C THR A 72 6.781 4.019 2.371 1.00 64.23 C ATOM 1092 O THR A 72 5.718 4.605 2.586 1.00 42.44 O ATOM 1093 CB THR A 72 7.057 1.598 1.741 1.00 15.42 C ATOM 1094 OG1 THR A 72 7.262 0.676 0.660 1.00 50.50 O ATOM 1095 CG2 THR A 72 5.826 1.180 2.531 1.00 52.11 C ATOM 0 H THR A 72 8.735 2.620 0.238 1.00 45.14 H new ATOM 0 HA THR A 72 6.028 3.117 0.569 1.00 3.33 H new ATOM 0 HB THR A 72 7.917 1.582 2.411 1.00 15.42 H new ATOM 0 HG1 THR A 72 8.180 0.761 0.327 1.00 50.50 H new ATOM 0 HG21 THR A 72 5.959 0.163 2.900 1.00 52.11 H new ATOM 0 HG22 THR A 72 5.688 1.857 3.374 1.00 52.11 H new ATOM 0 HG23 THR A 72 4.949 1.220 1.886 1.00 52.11 H new ATOM 1103 N SER A 73 7.871 4.195 3.121 1.00 65.33 N ATOM 1104 CA SER A 73 7.886 5.089 4.295 1.00 5.25 C ATOM 1105 C SER A 73 7.577 6.548 3.925 1.00 2.20 C ATOM 1106 O SER A 73 6.845 7.238 4.642 1.00 11.00 O ATOM 1107 CB SER A 73 9.247 5.026 5.006 1.00 51.40 C ATOM 1108 OG SER A 73 9.301 5.935 6.097 1.00 10.32 O ATOM 0 H SER A 73 8.761 3.731 2.940 1.00 65.33 H new ATOM 0 HA SER A 73 7.100 4.736 4.963 1.00 5.25 H new ATOM 0 HB2 SER A 73 9.426 4.012 5.365 1.00 51.40 H new ATOM 0 HB3 SER A 73 10.042 5.258 4.297 1.00 51.40 H new ATOM 0 HG SER A 73 10.177 5.873 6.532 1.00 10.32 H new ATOM 1114 N GLN A 74 8.131 7.018 2.805 1.00 54.43 N ATOM 1115 CA GLN A 74 7.939 8.391 2.366 1.00 42.24 C ATOM 1116 C GLN A 74 6.469 8.660 2.015 1.00 25.14 C ATOM 1117 O GLN A 74 5.897 9.674 2.418 1.00 74.34 O ATOM 1118 CB GLN A 74 8.841 8.667 1.158 1.00 63.21 C ATOM 1119 CG GLN A 74 8.461 9.922 0.399 1.00 31.23 C ATOM 1120 CD GLN A 74 9.300 10.161 -0.848 1.00 34.13 C ATOM 1121 OE1 GLN A 74 9.550 11.295 -1.235 1.00 64.53 O ATOM 1122 NE2 GLN A 74 9.734 9.096 -1.491 1.00 23.51 N ATOM 0 H GLN A 74 8.719 6.459 2.186 1.00 54.43 H new ATOM 0 HA GLN A 74 8.209 9.062 3.181 1.00 42.24 H new ATOM 0 HB2 GLN A 74 9.873 8.755 1.497 1.00 63.21 H new ATOM 0 HB3 GLN A 74 8.799 7.814 0.480 1.00 63.21 H new ATOM 0 HG2 GLN A 74 7.411 9.859 0.113 1.00 31.23 H new ATOM 0 HG3 GLN A 74 8.560 10.781 1.063 1.00 31.23 H new ATOM 0 HE21 GLN A 74 9.509 8.164 -1.144 1.00 23.51 H new ATOM 0 HE22 GLN A 74 10.295 9.204 -2.336 1.00 23.51 H new ATOM 1131 N ALA A 75 5.867 7.742 1.267 1.00 4.15 N ATOM 1132 CA ALA A 75 4.453 7.843 0.903 1.00 54.01 C ATOM 1133 C ALA A 75 3.562 7.975 2.147 1.00 34.34 C ATOM 1134 O ALA A 75 2.715 8.869 2.233 1.00 31.05 O ATOM 1135 CB ALA A 75 4.048 6.628 0.083 1.00 73.52 C ATOM 0 H ALA A 75 6.336 6.915 0.898 1.00 4.15 H new ATOM 0 HA ALA A 75 4.315 8.744 0.305 1.00 54.01 H new ATOM 0 HB1 ALA A 75 2.995 6.706 -0.187 1.00 73.52 H new ATOM 0 HB2 ALA A 75 4.652 6.583 -0.823 1.00 73.52 H new ATOM 0 HB3 ALA A 75 4.206 5.723 0.670 1.00 73.52 H new ATOM 1141 N VAL A 76 3.761 7.082 3.110 1.00 50.04 N ATOM 1142 CA VAL A 76 3.068 7.167 4.401 1.00 64.11 C ATOM 1143 C VAL A 76 3.260 8.546 5.062 1.00 74.03 C ATOM 1144 O VAL A 76 2.308 9.142 5.575 1.00 35.21 O ATOM 1145 CB VAL A 76 3.554 6.057 5.366 1.00 52.21 C ATOM 1146 CG1 VAL A 76 2.953 6.227 6.762 1.00 41.32 C ATOM 1147 CG2 VAL A 76 3.218 4.684 4.793 1.00 61.20 C ATOM 0 H VAL A 76 4.396 6.288 3.026 1.00 50.04 H new ATOM 0 HA VAL A 76 2.006 7.027 4.200 1.00 64.11 H new ATOM 0 HB VAL A 76 4.636 6.142 5.466 1.00 52.21 H new ATOM 0 HG11 VAL A 76 3.315 5.431 7.413 1.00 41.32 H new ATOM 0 HG12 VAL A 76 3.249 7.193 7.170 1.00 41.32 H new ATOM 0 HG13 VAL A 76 1.866 6.178 6.699 1.00 41.32 H new ATOM 0 HG21 VAL A 76 3.563 3.910 5.478 1.00 61.20 H new ATOM 0 HG22 VAL A 76 2.139 4.598 4.662 1.00 61.20 H new ATOM 0 HG23 VAL A 76 3.711 4.562 3.829 1.00 61.20 H new ATOM 1157 N ASN A 77 4.496 9.052 5.035 1.00 73.33 N ATOM 1158 CA ASN A 77 4.806 10.387 5.564 1.00 33.24 C ATOM 1159 C ASN A 77 3.943 11.464 4.892 1.00 62.32 C ATOM 1160 O ASN A 77 3.440 12.380 5.542 1.00 15.30 O ATOM 1161 CB ASN A 77 6.284 10.711 5.335 1.00 51.43 C ATOM 1162 CG ASN A 77 6.720 11.967 6.069 1.00 44.23 C ATOM 1163 OD1 ASN A 77 6.202 12.293 7.132 1.00 44.00 O ATOM 1164 ND2 ASN A 77 7.663 12.693 5.503 1.00 5.11 N ATOM 0 H ASN A 77 5.302 8.557 4.652 1.00 73.33 H new ATOM 0 HA ASN A 77 4.589 10.382 6.632 1.00 33.24 H new ATOM 0 HB2 ASN A 77 6.893 9.870 5.666 1.00 51.43 H new ATOM 0 HB3 ASN A 77 6.465 10.836 4.267 1.00 51.43 H new ATOM 0 HD21 ASN A 77 7.982 13.553 5.950 1.00 5.11 H new ATOM 0 HD22 ASN A 77 8.074 12.395 4.618 1.00 5.11 H new ATOM 1171 N LEU A 78 3.787 11.334 3.584 1.00 74.24 N ATOM 1172 CA LEU A 78 3.007 12.276 2.784 1.00 5.30 C ATOM 1173 C LEU A 78 1.512 12.240 3.154 1.00 51.14 C ATOM 1174 O LEU A 78 0.843 13.275 3.162 1.00 52.21 O ATOM 1175 CB LEU A 78 3.222 11.948 1.302 1.00 62.13 C ATOM 1176 CG LEU A 78 4.673 12.118 0.825 1.00 25.33 C ATOM 1177 CD1 LEU A 78 4.910 11.382 -0.489 1.00 73.41 C ATOM 1178 CD2 LEU A 78 5.028 13.599 0.687 1.00 62.01 C ATOM 0 H LEU A 78 4.197 10.573 3.043 1.00 74.24 H new ATOM 0 HA LEU A 78 3.348 13.291 2.990 1.00 5.30 H new ATOM 0 HB2 LEU A 78 2.909 10.920 1.120 1.00 62.13 H new ATOM 0 HB3 LEU A 78 2.576 12.589 0.702 1.00 62.13 H new ATOM 0 HG LEU A 78 5.326 11.678 1.578 1.00 25.33 H new ATOM 0 HD11 LEU A 78 5.945 11.520 -0.802 1.00 73.41 H new ATOM 0 HD12 LEU A 78 4.711 10.319 -0.352 1.00 73.41 H new ATOM 0 HD13 LEU A 78 4.243 11.780 -1.254 1.00 73.41 H new ATOM 0 HD21 LEU A 78 6.059 13.696 0.348 1.00 62.01 H new ATOM 0 HD22 LEU A 78 4.362 14.067 -0.039 1.00 62.01 H new ATOM 0 HD23 LEU A 78 4.916 14.092 1.653 1.00 62.01 H new ATOM 1190 N LEU A 79 0.999 11.052 3.479 1.00 42.44 N ATOM 1191 CA LEU A 79 -0.399 10.907 3.909 1.00 43.43 C ATOM 1192 C LEU A 79 -0.631 11.480 5.316 1.00 43.34 C ATOM 1193 O LEU A 79 -1.540 12.288 5.518 1.00 63.00 O ATOM 1194 CB LEU A 79 -0.835 9.437 3.855 1.00 1.13 C ATOM 1195 CG LEU A 79 -1.018 8.868 2.439 1.00 4.24 C ATOM 1196 CD1 LEU A 79 -1.405 7.391 2.490 1.00 72.42 C ATOM 1197 CD2 LEU A 79 -2.064 9.671 1.669 1.00 14.35 C ATOM 0 H LEU A 79 1.525 10.178 3.454 1.00 42.44 H new ATOM 0 HA LEU A 79 -1.010 11.483 3.213 1.00 43.43 H new ATOM 0 HB2 LEU A 79 -0.094 8.834 4.380 1.00 1.13 H new ATOM 0 HB3 LEU A 79 -1.775 9.332 4.397 1.00 1.13 H new ATOM 0 HG LEU A 79 -0.066 8.950 1.915 1.00 4.24 H new ATOM 0 HD11 LEU A 79 -1.529 7.012 1.476 1.00 72.42 H new ATOM 0 HD12 LEU A 79 -0.621 6.827 2.995 1.00 72.42 H new ATOM 0 HD13 LEU A 79 -2.342 7.279 3.036 1.00 72.42 H new ATOM 0 HD21 LEU A 79 -2.180 9.253 0.669 1.00 14.35 H new ATOM 0 HD22 LEU A 79 -3.018 9.624 2.194 1.00 14.35 H new ATOM 0 HD23 LEU A 79 -1.742 10.710 1.593 1.00 14.35 H new ATOM 1209 N ARG A 80 0.181 11.067 6.291 1.00 53.13 N ATOM 1210 CA ARG A 80 0.076 11.632 7.644 1.00 34.00 C ATOM 1211 C ARG A 80 0.290 13.155 7.609 1.00 64.51 C ATOM 1212 O ARG A 80 -0.311 13.895 8.390 1.00 41.20 O ATOM 1213 CB ARG A 80 1.066 10.965 8.615 1.00 13.40 C ATOM 1214 CG ARG A 80 2.525 11.076 8.196 1.00 72.54 C ATOM 1215 CD ARG A 80 3.470 10.483 9.237 1.00 61.31 C ATOM 1216 NE ARG A 80 3.154 9.088 9.542 1.00 54.42 N ATOM 1217 CZ ARG A 80 3.965 8.264 10.152 1.00 12.31 C ATOM 1218 NH1 ARG A 80 5.171 8.624 10.461 1.00 14.13 N ATOM 1219 NH2 ARG A 80 3.568 7.066 10.434 1.00 43.11 N ATOM 0 H ARG A 80 0.906 10.358 6.177 1.00 53.13 H new ATOM 0 HA ARG A 80 -0.930 11.429 8.012 1.00 34.00 H new ATOM 0 HB2 ARG A 80 0.948 11.414 9.601 1.00 13.40 H new ATOM 0 HB3 ARG A 80 0.807 9.911 8.712 1.00 13.40 H new ATOM 0 HG2 ARG A 80 2.668 10.564 7.244 1.00 72.54 H new ATOM 0 HG3 ARG A 80 2.776 12.124 8.035 1.00 72.54 H new ATOM 0 HD2 ARG A 80 4.495 10.550 8.874 1.00 61.31 H new ATOM 0 HD3 ARG A 80 3.417 11.074 10.151 1.00 61.31 H new ATOM 0 HE ARG A 80 2.240 8.734 9.260 1.00 54.42 H new ATOM 0 HH11 ARG A 80 5.499 9.561 10.228 1.00 14.13 H new ATOM 0 HH12 ARG A 80 5.792 7.970 10.937 1.00 14.13 H new ATOM 0 HH21 ARG A 80 2.626 6.768 10.181 1.00 43.11 H new ATOM 0 HH22 ARG A 80 4.197 6.419 10.910 1.00 43.11 H new ATOM 1233 N SER A 81 1.142 13.617 6.686 1.00 34.34 N ATOM 1234 CA SER A 81 1.305 15.057 6.426 1.00 10.42 C ATOM 1235 C SER A 81 0.002 15.675 5.892 1.00 11.21 C ATOM 1236 O SER A 81 -0.360 16.795 6.250 1.00 0.33 O ATOM 1237 CB SER A 81 2.432 15.303 5.414 1.00 14.20 C ATOM 1238 OG SER A 81 2.573 16.687 5.121 1.00 53.23 O ATOM 0 H SER A 81 1.729 13.018 6.106 1.00 34.34 H new ATOM 0 HA SER A 81 1.560 15.532 7.373 1.00 10.42 H new ATOM 0 HB2 SER A 81 3.370 14.916 5.811 1.00 14.20 H new ATOM 0 HB3 SER A 81 2.224 14.754 4.495 1.00 14.20 H new ATOM 0 HG SER A 81 3.299 16.812 4.475 1.00 53.23 H new ATOM 1244 N ALA A 82 -0.703 14.930 5.038 1.00 74.30 N ATOM 1245 CA ALA A 82 -1.986 15.383 4.479 1.00 1.32 C ATOM 1246 C ALA A 82 -3.104 15.384 5.540 1.00 14.21 C ATOM 1247 O ALA A 82 -4.201 15.897 5.307 1.00 13.55 O ATOM 1248 CB ALA A 82 -2.384 14.508 3.288 1.00 42.30 C ATOM 0 H ALA A 82 -0.409 14.008 4.716 1.00 74.30 H new ATOM 0 HA ALA A 82 -1.854 16.410 4.140 1.00 1.32 H new ATOM 0 HB1 ALA A 82 -3.335 14.854 2.884 1.00 42.30 H new ATOM 0 HB2 ALA A 82 -1.617 14.573 2.516 1.00 42.30 H new ATOM 0 HB3 ALA A 82 -2.484 13.473 3.614 1.00 42.30 H new ATOM 1254 N GLY A 83 -2.819 14.805 6.707 1.00 44.24 N ATOM 1255 CA GLY A 83 -3.796 14.770 7.794 1.00 12.21 C ATOM 1256 C GLY A 83 -4.342 13.375 8.079 1.00 21.41 C ATOM 1257 O GLY A 83 -5.139 13.193 9.001 1.00 44.12 O ATOM 0 H GLY A 83 -1.928 14.358 6.922 1.00 44.24 H new ATOM 0 HA2 GLY A 83 -3.334 15.162 8.700 1.00 12.21 H new ATOM 0 HA3 GLY A 83 -4.626 15.432 7.547 1.00 12.21 H new ATOM 1261 N PHE A 84 -3.923 12.389 7.290 1.00 33.53 N ATOM 1262 CA PHE A 84 -4.369 11.002 7.480 1.00 31.01 C ATOM 1263 C PHE A 84 -3.871 10.415 8.813 1.00 71.31 C ATOM 1264 O PHE A 84 -2.669 10.331 9.060 1.00 14.40 O ATOM 1265 CB PHE A 84 -3.906 10.126 6.310 1.00 32.42 C ATOM 1266 CG PHE A 84 -4.627 10.402 5.010 1.00 73.34 C ATOM 1267 CD1 PHE A 84 -4.249 11.457 4.192 1.00 53.23 C ATOM 1268 CD2 PHE A 84 -5.682 9.596 4.604 1.00 74.02 C ATOM 1269 CE1 PHE A 84 -4.907 11.700 3.001 1.00 1.43 C ATOM 1270 CE2 PHE A 84 -6.342 9.839 3.415 1.00 64.24 C ATOM 1271 CZ PHE A 84 -5.955 10.890 2.613 1.00 22.54 C ATOM 0 H PHE A 84 -3.276 12.519 6.512 1.00 33.53 H new ATOM 0 HA PHE A 84 -5.459 11.012 7.511 1.00 31.01 H new ATOM 0 HB2 PHE A 84 -2.837 10.275 6.159 1.00 32.42 H new ATOM 0 HB3 PHE A 84 -4.047 9.078 6.576 1.00 32.42 H new ATOM 0 HD1 PHE A 84 -3.431 12.096 4.489 1.00 53.23 H new ATOM 0 HD2 PHE A 84 -5.991 8.769 5.226 1.00 74.02 H new ATOM 0 HE1 PHE A 84 -4.601 12.524 2.374 1.00 1.43 H new ATOM 0 HE2 PHE A 84 -7.162 9.204 3.114 1.00 64.24 H new ATOM 0 HZ PHE A 84 -6.470 11.080 1.683 1.00 22.54 H new ATOM 1281 N GLU A 85 -4.817 10.001 9.654 1.00 3.25 N ATOM 1282 CA GLU A 85 -4.519 9.466 10.987 1.00 41.43 C ATOM 1283 C GLU A 85 -4.070 7.995 10.937 1.00 64.54 C ATOM 1284 O GLU A 85 -3.068 7.621 11.544 1.00 55.13 O ATOM 1285 CB GLU A 85 -5.765 9.600 11.879 1.00 71.11 C ATOM 1286 CG GLU A 85 -6.155 11.048 12.173 1.00 52.00 C ATOM 1287 CD GLU A 85 -7.482 11.174 12.913 1.00 74.24 C ATOM 1288 OE1 GLU A 85 -7.580 10.705 14.067 1.00 53.23 O ATOM 1289 OE2 GLU A 85 -8.434 11.752 12.346 1.00 54.41 O ATOM 0 H GLU A 85 -5.813 10.026 9.433 1.00 3.25 H new ATOM 0 HA GLU A 85 -3.692 10.044 11.401 1.00 41.43 H new ATOM 0 HB2 GLU A 85 -6.603 9.098 11.396 1.00 71.11 H new ATOM 0 HB3 GLU A 85 -5.584 9.083 12.821 1.00 71.11 H new ATOM 0 HG2 GLU A 85 -5.370 11.516 12.767 1.00 52.00 H new ATOM 0 HG3 GLU A 85 -6.216 11.599 11.234 1.00 52.00 H new ATOM 1296 N HIS A 86 -4.819 7.163 10.214 1.00 63.34 N ATOM 1297 CA HIS A 86 -4.548 5.719 10.176 1.00 42.11 C ATOM 1298 C HIS A 86 -3.821 5.297 8.889 1.00 42.04 C ATOM 1299 O HIS A 86 -4.448 4.848 7.931 1.00 12.43 O ATOM 1300 CB HIS A 86 -5.857 4.927 10.329 1.00 34.14 C ATOM 1301 CG HIS A 86 -6.511 5.101 11.665 1.00 11.15 C ATOM 1302 ND1 HIS A 86 -6.542 4.111 12.623 1.00 42.12 N ATOM 1303 CD2 HIS A 86 -7.163 6.158 12.207 1.00 74.45 C ATOM 1304 CE1 HIS A 86 -7.178 4.551 13.689 1.00 63.31 C ATOM 1305 NE2 HIS A 86 -7.563 5.786 13.463 1.00 52.44 N ATOM 0 H HIS A 86 -5.615 7.458 9.648 1.00 63.34 H new ATOM 0 HA HIS A 86 -3.887 5.492 11.012 1.00 42.11 H new ATOM 0 HB2 HIS A 86 -6.553 5.238 9.550 1.00 34.14 H new ATOM 0 HB3 HIS A 86 -5.652 3.868 10.169 1.00 34.14 H new ATOM 0 HD2 HIS A 86 -7.335 7.115 11.737 1.00 74.45 H new ATOM 0 HE1 HIS A 86 -7.353 3.991 14.596 1.00 63.31 H new ATOM 0 HE2 HIS A 86 -8.078 6.374 14.118 1.00 52.44 H new ATOM 1314 N VAL A 87 -2.497 5.459 8.868 1.00 12.21 N ATOM 1315 CA VAL A 87 -1.677 5.022 7.728 1.00 22.24 C ATOM 1316 C VAL A 87 -0.451 4.227 8.203 1.00 33.13 C ATOM 1317 O VAL A 87 0.342 4.717 9.009 1.00 12.35 O ATOM 1318 CB VAL A 87 -1.188 6.218 6.870 1.00 22.21 C ATOM 1319 CG1 VAL A 87 -0.440 5.725 5.630 1.00 14.13 C ATOM 1320 CG2 VAL A 87 -2.353 7.119 6.472 1.00 1.35 C ATOM 0 H VAL A 87 -1.966 5.889 9.625 1.00 12.21 H new ATOM 0 HA VAL A 87 -2.317 4.387 7.116 1.00 22.24 H new ATOM 0 HB VAL A 87 -0.498 6.806 7.476 1.00 22.21 H new ATOM 0 HG11 VAL A 87 -0.106 6.580 5.043 1.00 14.13 H new ATOM 0 HG12 VAL A 87 0.424 5.136 5.937 1.00 14.13 H new ATOM 0 HG13 VAL A 87 -1.105 5.107 5.026 1.00 14.13 H new ATOM 0 HG21 VAL A 87 -1.982 7.949 5.871 1.00 1.35 H new ATOM 0 HG22 VAL A 87 -3.075 6.545 5.891 1.00 1.35 H new ATOM 0 HG23 VAL A 87 -2.836 7.507 7.369 1.00 1.35 H new ATOM 1330 N SER A 88 -0.294 3.008 7.692 1.00 65.55 N ATOM 1331 CA SER A 88 0.835 2.140 8.071 1.00 22.10 C ATOM 1332 C SER A 88 1.688 1.764 6.853 1.00 22.42 C ATOM 1333 O SER A 88 1.161 1.528 5.763 1.00 4.52 O ATOM 1334 CB SER A 88 0.322 0.866 8.754 1.00 13.03 C ATOM 1335 OG SER A 88 1.388 -0.013 9.090 1.00 63.13 O ATOM 0 H SER A 88 -0.932 2.592 7.013 1.00 65.55 H new ATOM 0 HA SER A 88 1.460 2.699 8.767 1.00 22.10 H new ATOM 0 HB2 SER A 88 -0.229 1.133 9.656 1.00 13.03 H new ATOM 0 HB3 SER A 88 -0.378 0.354 8.093 1.00 13.03 H new ATOM 0 HG SER A 88 1.027 -0.814 9.525 1.00 63.13 H new ATOM 1341 N GLU A 89 3.007 1.712 7.039 1.00 30.52 N ATOM 1342 CA GLU A 89 3.926 1.362 5.950 1.00 12.22 C ATOM 1343 C GLU A 89 4.214 -0.146 5.923 1.00 5.41 C ATOM 1344 O GLU A 89 4.569 -0.747 6.939 1.00 42.34 O ATOM 1345 CB GLU A 89 5.239 2.159 6.064 1.00 75.21 C ATOM 1346 CG GLU A 89 5.955 2.017 7.402 1.00 52.32 C ATOM 1347 CD GLU A 89 7.244 2.825 7.460 1.00 2.42 C ATOM 1348 OE1 GLU A 89 8.299 2.299 7.052 1.00 63.14 O ATOM 1349 OE2 GLU A 89 7.208 3.990 7.914 1.00 24.53 O ATOM 0 H GLU A 89 3.464 1.907 7.930 1.00 30.52 H new ATOM 0 HA GLU A 89 3.440 1.628 5.011 1.00 12.22 H new ATOM 0 HB2 GLU A 89 5.913 1.838 5.270 1.00 75.21 H new ATOM 0 HB3 GLU A 89 5.024 3.214 5.892 1.00 75.21 H new ATOM 0 HG2 GLU A 89 5.290 2.341 8.203 1.00 52.32 H new ATOM 0 HG3 GLU A 89 6.180 0.966 7.580 1.00 52.32 H new ATOM 1356 N LEU A 90 4.050 -0.751 4.750 1.00 30.42 N ATOM 1357 CA LEU A 90 4.267 -2.189 4.580 1.00 44.13 C ATOM 1358 C LEU A 90 5.760 -2.517 4.396 1.00 40.21 C ATOM 1359 O LEU A 90 6.410 -2.024 3.470 1.00 44.01 O ATOM 1360 CB LEU A 90 3.467 -2.703 3.374 1.00 12.14 C ATOM 1361 CG LEU A 90 3.376 -4.232 3.255 1.00 73.31 C ATOM 1362 CD1 LEU A 90 2.628 -4.817 4.447 1.00 2.52 C ATOM 1363 CD2 LEU A 90 2.704 -4.644 1.947 1.00 32.23 C ATOM 0 H LEU A 90 3.766 -0.267 3.898 1.00 30.42 H new ATOM 0 HA LEU A 90 3.922 -2.688 5.486 1.00 44.13 H new ATOM 0 HB2 LEU A 90 2.457 -2.298 3.429 1.00 12.14 H new ATOM 0 HB3 LEU A 90 3.919 -2.310 2.464 1.00 12.14 H new ATOM 0 HG LEU A 90 4.391 -4.630 3.251 1.00 73.31 H new ATOM 0 HD11 LEU A 90 2.573 -5.901 4.346 1.00 2.52 H new ATOM 0 HD12 LEU A 90 3.155 -4.565 5.367 1.00 2.52 H new ATOM 0 HD13 LEU A 90 1.620 -4.404 4.482 1.00 2.52 H new ATOM 0 HD21 LEU A 90 2.654 -5.731 1.891 1.00 32.23 H new ATOM 0 HD22 LEU A 90 1.696 -4.232 1.910 1.00 32.23 H new ATOM 0 HD23 LEU A 90 3.282 -4.263 1.105 1.00 32.23 H new ATOM 1375 N LYS A 91 6.291 -3.357 5.279 1.00 65.13 N ATOM 1376 CA LYS A 91 7.690 -3.782 5.211 1.00 24.40 C ATOM 1377 C LYS A 91 7.902 -4.808 4.088 1.00 64.25 C ATOM 1378 O LYS A 91 6.993 -5.565 3.735 1.00 11.20 O ATOM 1379 CB LYS A 91 8.134 -4.375 6.559 1.00 12.11 C ATOM 1380 CG LYS A 91 8.070 -3.403 7.742 1.00 43.32 C ATOM 1381 CD LYS A 91 9.103 -2.273 7.651 1.00 74.11 C ATOM 1382 CE LYS A 91 8.588 -1.058 6.880 1.00 3.54 C ATOM 1383 NZ LYS A 91 9.613 0.019 6.799 1.00 11.43 N ATOM 0 H LYS A 91 5.770 -3.761 6.057 1.00 65.13 H new ATOM 0 HA LYS A 91 8.298 -2.905 4.991 1.00 24.40 H new ATOM 0 HB2 LYS A 91 7.509 -5.239 6.783 1.00 12.11 H new ATOM 0 HB3 LYS A 91 9.157 -4.738 6.461 1.00 12.11 H new ATOM 0 HG2 LYS A 91 7.071 -2.970 7.795 1.00 43.32 H new ATOM 0 HG3 LYS A 91 8.227 -3.957 8.668 1.00 43.32 H new ATOM 0 HD2 LYS A 91 9.387 -1.965 8.657 1.00 74.11 H new ATOM 0 HD3 LYS A 91 10.004 -2.649 7.167 1.00 74.11 H new ATOM 0 HE2 LYS A 91 8.299 -1.361 5.874 1.00 3.54 H new ATOM 0 HE3 LYS A 91 7.692 -0.672 7.366 1.00 3.54 H new ATOM 0 HZ1 LYS A 91 9.170 0.894 6.454 1.00 11.43 H new ATOM 0 HZ2 LYS A 91 10.018 0.185 7.743 1.00 11.43 H new ATOM 0 HZ3 LYS A 91 10.368 -0.269 6.144 1.00 11.43 H new ATOM 1397 N GLY A 92 9.100 -4.822 3.525 1.00 11.24 N ATOM 1398 CA GLY A 92 9.417 -5.748 2.441 1.00 12.02 C ATOM 1399 C GLY A 92 8.919 -5.284 1.070 1.00 44.43 C ATOM 1400 O GLY A 92 9.686 -5.247 0.105 1.00 73.45 O ATOM 0 H GLY A 92 9.867 -4.207 3.796 1.00 11.24 H new ATOM 0 HA2 GLY A 92 10.497 -5.886 2.398 1.00 12.02 H new ATOM 0 HA3 GLY A 92 8.980 -6.721 2.666 1.00 12.02 H new ATOM 1404 N GLY A 93 7.632 -4.943 0.979 1.00 44.03 N ATOM 1405 CA GLY A 93 7.055 -4.500 -0.293 1.00 45.43 C ATOM 1406 C GLY A 93 6.309 -5.615 -1.029 1.00 60.31 C ATOM 1407 O GLY A 93 6.099 -6.700 -0.483 1.00 2.32 O ATOM 0 H GLY A 93 6.976 -4.964 1.760 1.00 44.03 H new ATOM 0 HA2 GLY A 93 6.370 -3.673 -0.107 1.00 45.43 H new ATOM 0 HA3 GLY A 93 7.850 -4.118 -0.933 1.00 45.43 H new ATOM 1411 N LEU A 94 5.917 -5.352 -2.277 1.00 64.42 N ATOM 1412 CA LEU A 94 5.177 -6.335 -3.084 1.00 24.50 C ATOM 1413 C LEU A 94 5.991 -7.622 -3.293 1.00 73.14 C ATOM 1414 O LEU A 94 5.448 -8.722 -3.247 1.00 71.33 O ATOM 1415 CB LEU A 94 4.795 -5.739 -4.444 1.00 45.01 C ATOM 1416 CG LEU A 94 3.994 -6.676 -5.366 1.00 43.35 C ATOM 1417 CD1 LEU A 94 2.624 -6.999 -4.774 1.00 43.45 C ATOM 1418 CD2 LEU A 94 3.853 -6.072 -6.757 1.00 1.22 C ATOM 0 H LEU A 94 6.097 -4.469 -2.754 1.00 64.42 H new ATOM 0 HA LEU A 94 4.270 -6.589 -2.535 1.00 24.50 H new ATOM 0 HB2 LEU A 94 4.211 -4.834 -4.276 1.00 45.01 H new ATOM 0 HB3 LEU A 94 5.707 -5.439 -4.961 1.00 45.01 H new ATOM 0 HG LEU A 94 4.547 -7.611 -5.452 1.00 43.35 H new ATOM 0 HD11 LEU A 94 2.083 -7.662 -5.449 1.00 43.45 H new ATOM 0 HD12 LEU A 94 2.751 -7.489 -3.808 1.00 43.45 H new ATOM 0 HD13 LEU A 94 2.058 -6.077 -4.641 1.00 43.45 H new ATOM 0 HD21 LEU A 94 3.284 -6.751 -7.392 1.00 1.22 H new ATOM 0 HD22 LEU A 94 3.332 -5.117 -6.688 1.00 1.22 H new ATOM 0 HD23 LEU A 94 4.842 -5.916 -7.188 1.00 1.22 H new ATOM 1430 N ALA A 95 7.290 -7.475 -3.538 1.00 33.54 N ATOM 1431 CA ALA A 95 8.193 -8.623 -3.656 1.00 1.43 C ATOM 1432 C ALA A 95 8.077 -9.567 -2.445 1.00 25.30 C ATOM 1433 O ALA A 95 8.105 -10.788 -2.597 1.00 41.41 O ATOM 1434 CB ALA A 95 9.628 -8.139 -3.822 1.00 54.51 C ATOM 0 H ALA A 95 7.745 -6.570 -3.660 1.00 33.54 H new ATOM 0 HA ALA A 95 7.901 -9.192 -4.539 1.00 1.43 H new ATOM 0 HB1 ALA A 95 10.294 -8.998 -3.909 1.00 54.51 H new ATOM 0 HB2 ALA A 95 9.704 -7.528 -4.721 1.00 54.51 H new ATOM 0 HB3 ALA A 95 9.914 -7.545 -2.954 1.00 54.51 H new ATOM 1440 N ALA A 96 7.936 -8.997 -1.246 1.00 73.01 N ATOM 1441 CA ALA A 96 7.717 -9.793 -0.030 1.00 40.53 C ATOM 1442 C ALA A 96 6.328 -10.449 -0.055 1.00 42.13 C ATOM 1443 O ALA A 96 6.183 -11.642 0.224 1.00 60.00 O ATOM 1444 CB ALA A 96 7.877 -8.918 1.210 1.00 12.42 C ATOM 0 H ALA A 96 7.969 -7.990 -1.088 1.00 73.01 H new ATOM 0 HA ALA A 96 8.465 -10.585 0.006 1.00 40.53 H new ATOM 0 HB1 ALA A 96 7.712 -9.520 2.104 1.00 12.42 H new ATOM 0 HB2 ALA A 96 8.884 -8.501 1.234 1.00 12.42 H new ATOM 0 HB3 ALA A 96 7.149 -8.107 1.179 1.00 12.42 H new ATOM 1450 N TRP A 97 5.312 -9.657 -0.407 1.00 32.31 N ATOM 1451 CA TRP A 97 3.938 -10.157 -0.580 1.00 22.44 C ATOM 1452 C TRP A 97 3.906 -11.370 -1.528 1.00 24.22 C ATOM 1453 O TRP A 97 3.183 -12.347 -1.308 1.00 5.52 O ATOM 1454 CB TRP A 97 3.064 -9.035 -1.149 1.00 14.12 C ATOM 1455 CG TRP A 97 1.610 -9.390 -1.278 1.00 62.23 C ATOM 1456 CD1 TRP A 97 0.982 -9.951 -2.356 1.00 53.41 C ATOM 1457 CD2 TRP A 97 0.600 -9.174 -0.291 1.00 73.23 C ATOM 1458 NE1 TRP A 97 -0.357 -10.108 -2.087 1.00 73.21 N ATOM 1459 CE2 TRP A 97 -0.614 -9.635 -0.827 1.00 22.35 C ATOM 1460 CE3 TRP A 97 0.610 -8.642 0.999 1.00 44.31 C ATOM 1461 CZ2 TRP A 97 -1.810 -9.569 -0.121 1.00 71.13 C ATOM 1462 CZ3 TRP A 97 -0.578 -8.576 1.699 1.00 31.22 C ATOM 1463 CH2 TRP A 97 -1.773 -9.039 1.139 1.00 22.02 C ATOM 0 H TRP A 97 5.413 -8.657 -0.580 1.00 32.31 H new ATOM 0 HA TRP A 97 3.556 -10.474 0.390 1.00 22.44 H new ATOM 0 HB2 TRP A 97 3.157 -8.158 -0.509 1.00 14.12 H new ATOM 0 HB3 TRP A 97 3.446 -8.755 -2.131 1.00 14.12 H new ATOM 0 HD1 TRP A 97 1.466 -10.229 -3.281 1.00 53.41 H new ATOM 0 HE1 TRP A 97 -1.046 -10.511 -2.722 1.00 73.21 H new ATOM 0 HE3 TRP A 97 1.530 -8.289 1.441 1.00 44.31 H new ATOM 0 HZ2 TRP A 97 -2.735 -9.923 -0.552 1.00 71.13 H new ATOM 0 HZ3 TRP A 97 -0.585 -8.160 2.696 1.00 31.22 H new ATOM 0 HH2 TRP A 97 -2.685 -8.977 1.714 1.00 22.02 H new ATOM 1474 N LYS A 98 4.695 -11.284 -2.588 1.00 2.31 N ATOM 1475 CA LYS A 98 4.805 -12.351 -3.579 1.00 61.52 C ATOM 1476 C LYS A 98 5.707 -13.500 -3.091 1.00 50.23 C ATOM 1477 O LYS A 98 5.474 -14.662 -3.423 1.00 52.32 O ATOM 1478 CB LYS A 98 5.325 -11.759 -4.900 1.00 24.31 C ATOM 1479 CG LYS A 98 4.300 -10.863 -5.598 1.00 71.54 C ATOM 1480 CD LYS A 98 4.901 -10.031 -6.734 1.00 71.22 C ATOM 1481 CE LYS A 98 5.787 -10.859 -7.660 1.00 30.32 C ATOM 1482 NZ LYS A 98 5.994 -10.192 -8.972 1.00 15.21 N ATOM 0 H LYS A 98 5.279 -10.472 -2.788 1.00 2.31 H new ATOM 0 HA LYS A 98 3.816 -12.782 -3.738 1.00 61.52 H new ATOM 0 HB2 LYS A 98 6.229 -11.182 -4.703 1.00 24.31 H new ATOM 0 HB3 LYS A 98 5.605 -12.571 -5.570 1.00 24.31 H new ATOM 0 HG2 LYS A 98 3.497 -11.483 -5.996 1.00 71.54 H new ATOM 0 HG3 LYS A 98 3.852 -10.194 -4.864 1.00 71.54 H new ATOM 0 HD2 LYS A 98 4.096 -9.580 -7.314 1.00 71.22 H new ATOM 0 HD3 LYS A 98 5.486 -9.214 -6.311 1.00 71.22 H new ATOM 0 HE2 LYS A 98 6.752 -11.029 -7.183 1.00 30.32 H new ATOM 0 HE3 LYS A 98 5.333 -11.837 -7.818 1.00 30.32 H new ATOM 0 HZ1 LYS A 98 6.601 -10.787 -9.572 1.00 15.21 H new ATOM 0 HZ2 LYS A 98 5.075 -10.053 -9.439 1.00 15.21 H new ATOM 0 HZ3 LYS A 98 6.451 -9.269 -8.824 1.00 15.21 H new ATOM 1496 N ALA A 99 6.719 -13.177 -2.288 1.00 2.33 N ATOM 1497 CA ALA A 99 7.639 -14.189 -1.748 1.00 43.33 C ATOM 1498 C ALA A 99 6.940 -15.116 -0.737 1.00 33.35 C ATOM 1499 O ALA A 99 7.290 -16.289 -0.605 1.00 31.52 O ATOM 1500 CB ALA A 99 8.840 -13.516 -1.098 1.00 14.52 C ATOM 0 H ALA A 99 6.927 -12.223 -1.994 1.00 2.33 H new ATOM 0 HA ALA A 99 7.978 -14.804 -2.582 1.00 43.33 H new ATOM 0 HB1 ALA A 99 9.513 -14.276 -0.702 1.00 14.52 H new ATOM 0 HB2 ALA A 99 9.367 -12.916 -1.840 1.00 14.52 H new ATOM 0 HB3 ALA A 99 8.501 -12.873 -0.286 1.00 14.52 H new ATOM 1506 N ILE A 100 5.965 -14.572 -0.012 1.00 34.44 N ATOM 1507 CA ILE A 100 5.146 -15.359 0.923 1.00 3.11 C ATOM 1508 C ILE A 100 3.969 -16.040 0.205 1.00 54.52 C ATOM 1509 O ILE A 100 3.177 -16.752 0.827 1.00 44.53 O ATOM 1510 CB ILE A 100 4.584 -14.465 2.058 1.00 12.24 C ATOM 1511 CG1 ILE A 100 3.724 -13.344 1.451 1.00 21.12 C ATOM 1512 CG2 ILE A 100 5.715 -13.894 2.916 1.00 43.05 C ATOM 1513 CD1 ILE A 100 3.176 -12.362 2.456 1.00 5.23 C ATOM 0 H ILE A 100 5.718 -13.583 -0.051 1.00 34.44 H new ATOM 0 HA ILE A 100 5.798 -16.123 1.346 1.00 3.11 H new ATOM 0 HB ILE A 100 3.958 -15.072 2.712 1.00 12.24 H new ATOM 0 HG12 ILE A 100 4.322 -12.800 0.720 1.00 21.12 H new ATOM 0 HG13 ILE A 100 2.891 -13.794 0.911 1.00 21.12 H new ATOM 0 HG21 ILE A 100 5.294 -13.271 3.705 1.00 43.05 H new ATOM 0 HG22 ILE A 100 6.281 -14.711 3.363 1.00 43.05 H new ATOM 0 HG23 ILE A 100 6.377 -13.293 2.293 1.00 43.05 H new ATOM 0 HD11 ILE A 100 2.582 -11.607 1.941 1.00 5.23 H new ATOM 0 HD12 ILE A 100 2.548 -12.889 3.174 1.00 5.23 H new ATOM 0 HD13 ILE A 100 4.001 -11.879 2.980 1.00 5.23 H new ATOM 1525 N GLY A 101 3.855 -15.808 -1.102 1.00 54.23 N ATOM 1526 CA GLY A 101 2.764 -16.379 -1.882 1.00 14.34 C ATOM 1527 C GLY A 101 1.397 -15.809 -1.509 1.00 25.32 C ATOM 1528 O GLY A 101 0.497 -16.546 -1.109 1.00 35.25 O ATOM 0 H GLY A 101 4.503 -15.231 -1.639 1.00 54.23 H new ATOM 0 HA2 GLY A 101 2.949 -16.199 -2.941 1.00 14.34 H new ATOM 0 HA3 GLY A 101 2.751 -17.460 -1.740 1.00 14.34 H new ATOM 1532 N GLY A 102 1.250 -14.491 -1.610 1.00 2.24 N ATOM 1533 CA GLY A 102 -0.034 -13.856 -1.330 1.00 11.22 C ATOM 1534 C GLY A 102 -0.902 -13.674 -2.574 1.00 43.13 C ATOM 1535 O GLY A 102 -0.432 -13.874 -3.695 1.00 0.21 O ATOM 0 H GLY A 102 1.994 -13.848 -1.880 1.00 2.24 H new ATOM 0 HA2 GLY A 102 -0.577 -14.457 -0.601 1.00 11.22 H new ATOM 0 HA3 GLY A 102 0.142 -12.882 -0.873 1.00 11.22 H new ATOM 1539 N PRO A 103 -2.190 -13.309 -2.406 1.00 61.11 N ATOM 1540 CA PRO A 103 -3.092 -13.030 -3.542 1.00 30.42 C ATOM 1541 C PRO A 103 -2.623 -11.820 -4.371 1.00 2.41 C ATOM 1542 O PRO A 103 -2.568 -10.691 -3.875 1.00 75.11 O ATOM 1543 CB PRO A 103 -4.448 -12.751 -2.866 1.00 41.44 C ATOM 1544 CG PRO A 103 -4.109 -12.376 -1.459 1.00 14.33 C ATOM 1545 CD PRO A 103 -2.872 -13.159 -1.108 1.00 71.45 C ATOM 0 HA PRO A 103 -3.129 -13.856 -4.253 1.00 30.42 H new ATOM 0 HB2 PRO A 103 -4.983 -11.946 -3.371 1.00 41.44 H new ATOM 0 HB3 PRO A 103 -5.092 -13.630 -2.896 1.00 41.44 H new ATOM 0 HG2 PRO A 103 -3.930 -11.304 -1.373 1.00 14.33 H new ATOM 0 HG3 PRO A 103 -4.929 -12.617 -0.782 1.00 14.33 H new ATOM 0 HD2 PRO A 103 -2.251 -12.629 -0.386 1.00 71.45 H new ATOM 0 HD3 PRO A 103 -3.118 -14.125 -0.668 1.00 71.45 H new ATOM 1553 N THR A 104 -2.288 -12.060 -5.639 1.00 45.10 N ATOM 1554 CA THR A 104 -1.691 -11.026 -6.495 1.00 54.54 C ATOM 1555 C THR A 104 -2.545 -10.703 -7.724 1.00 32.14 C ATOM 1556 O THR A 104 -3.509 -11.397 -8.047 1.00 2.53 O ATOM 1557 CB THR A 104 -0.278 -11.424 -6.981 1.00 41.11 C ATOM 1558 OG1 THR A 104 -0.334 -12.651 -7.729 1.00 32.50 O ATOM 1559 CG2 THR A 104 0.685 -11.583 -5.808 1.00 75.11 C ATOM 0 H THR A 104 -2.419 -12.961 -6.099 1.00 45.10 H new ATOM 0 HA THR A 104 -1.631 -10.139 -5.864 1.00 54.54 H new ATOM 0 HB THR A 104 0.089 -10.624 -7.624 1.00 41.11 H new ATOM 0 HG1 THR A 104 0.567 -12.891 -8.032 1.00 32.50 H new ATOM 0 HG21 THR A 104 1.670 -11.863 -6.181 1.00 75.11 H new ATOM 0 HG22 THR A 104 0.757 -10.640 -5.266 1.00 75.11 H new ATOM 0 HG23 THR A 104 0.317 -12.360 -5.138 1.00 75.11 H new ATOM 1567 N GLU A 105 -2.165 -9.631 -8.401 1.00 41.21 N ATOM 1568 CA GLU A 105 -2.873 -9.137 -9.579 1.00 44.32 C ATOM 1569 C GLU A 105 -1.878 -8.482 -10.549 1.00 11.31 C ATOM 1570 O GLU A 105 -0.712 -8.292 -10.206 1.00 73.41 O ATOM 1571 CB GLU A 105 -3.934 -8.109 -9.140 1.00 24.11 C ATOM 1572 CG GLU A 105 -5.372 -8.507 -9.432 1.00 30.22 C ATOM 1573 CD GLU A 105 -6.316 -7.328 -9.264 1.00 31.32 C ATOM 1574 OE1 GLU A 105 -6.375 -6.488 -10.185 1.00 54.32 O ATOM 1575 OE2 GLU A 105 -6.968 -7.215 -8.209 1.00 10.14 O ATOM 0 H GLU A 105 -1.350 -9.072 -8.149 1.00 41.21 H new ATOM 0 HA GLU A 105 -3.362 -9.969 -10.086 1.00 44.32 H new ATOM 0 HB2 GLU A 105 -3.831 -7.937 -8.069 1.00 24.11 H new ATOM 0 HB3 GLU A 105 -3.727 -7.161 -9.636 1.00 24.11 H new ATOM 0 HG2 GLU A 105 -5.446 -8.893 -10.449 1.00 30.22 H new ATOM 0 HG3 GLU A 105 -5.671 -9.314 -8.763 1.00 30.22 H new ATOM 1582 N GLY A 106 -2.330 -8.127 -11.750 1.00 44.32 N ATOM 1583 CA GLY A 106 -1.460 -7.408 -12.678 1.00 30.33 C ATOM 1584 C GLY A 106 -1.444 -7.966 -14.098 1.00 41.55 C ATOM 1585 O GLY A 106 -1.814 -9.117 -14.344 1.00 54.34 O ATOM 0 H GLY A 106 -3.270 -8.319 -12.098 1.00 44.32 H new ATOM 0 HA2 GLY A 106 -1.774 -6.365 -12.715 1.00 30.33 H new ATOM 0 HA3 GLY A 106 -0.443 -7.421 -12.286 1.00 30.33 H new ATOM 1589 N ILE A 107 -0.998 -7.129 -15.028 1.00 22.12 N ATOM 1590 CA ILE A 107 -0.878 -7.490 -16.442 1.00 23.22 C ATOM 1591 C ILE A 107 0.401 -8.302 -16.707 1.00 74.24 C ATOM 1592 O ILE A 107 0.347 -9.408 -17.254 1.00 31.21 O ATOM 1593 CB ILE A 107 -0.862 -6.219 -17.332 1.00 14.22 C ATOM 1594 CG1 ILE A 107 -2.131 -5.381 -17.092 1.00 44.25 C ATOM 1595 CG2 ILE A 107 -0.716 -6.579 -18.811 1.00 71.13 C ATOM 1596 CD1 ILE A 107 -2.191 -4.103 -17.900 1.00 53.53 C ATOM 0 H ILE A 107 -0.707 -6.173 -14.824 1.00 22.12 H new ATOM 0 HA ILE A 107 -1.744 -8.103 -16.692 1.00 23.22 H new ATOM 0 HB ILE A 107 0.005 -5.620 -17.053 1.00 14.22 H new ATOM 0 HG12 ILE A 107 -3.004 -5.989 -17.328 1.00 44.25 H new ATOM 0 HG13 ILE A 107 -2.193 -5.131 -16.033 1.00 44.25 H new ATOM 0 HG21 ILE A 107 -0.708 -5.667 -19.408 1.00 71.13 H new ATOM 0 HG22 ILE A 107 0.218 -7.121 -18.963 1.00 71.13 H new ATOM 0 HG23 ILE A 107 -1.553 -7.206 -19.117 1.00 71.13 H new ATOM 0 HD11 ILE A 107 -3.115 -3.572 -17.673 1.00 53.53 H new ATOM 0 HD12 ILE A 107 -1.339 -3.472 -17.647 1.00 53.53 H new ATOM 0 HD13 ILE A 107 -2.162 -4.343 -18.963 1.00 53.53 H new ATOM 1608 N ILE A 108 1.558 -7.755 -16.315 1.00 1.21 N ATOM 1609 CA ILE A 108 2.842 -8.434 -16.549 1.00 14.11 C ATOM 1610 C ILE A 108 2.931 -9.760 -15.779 1.00 63.14 C ATOM 1611 O ILE A 108 3.554 -10.722 -16.237 1.00 53.40 O ATOM 1612 CB ILE A 108 4.051 -7.519 -16.202 1.00 13.20 C ATOM 1613 CG1 ILE A 108 4.320 -6.515 -17.346 1.00 51.45 C ATOM 1614 CG2 ILE A 108 5.305 -8.344 -15.906 1.00 74.05 C ATOM 1615 CD1 ILE A 108 3.169 -5.573 -17.639 1.00 62.11 C ATOM 0 H ILE A 108 1.634 -6.856 -15.840 1.00 1.21 H new ATOM 0 HA ILE A 108 2.887 -8.659 -17.615 1.00 14.11 H new ATOM 0 HB ILE A 108 3.798 -6.960 -15.301 1.00 13.20 H new ATOM 0 HG12 ILE A 108 5.201 -5.925 -17.095 1.00 51.45 H new ATOM 0 HG13 ILE A 108 4.557 -7.072 -18.253 1.00 51.45 H new ATOM 0 HG21 ILE A 108 6.132 -7.676 -15.667 1.00 74.05 H new ATOM 0 HG22 ILE A 108 5.115 -9.004 -15.059 1.00 74.05 H new ATOM 0 HG23 ILE A 108 5.562 -8.941 -16.781 1.00 74.05 H new ATOM 0 HD11 ILE A 108 3.445 -4.904 -18.454 1.00 62.11 H new ATOM 0 HD12 ILE A 108 2.290 -6.151 -17.925 1.00 62.11 H new ATOM 0 HD13 ILE A 108 2.944 -4.986 -16.749 1.00 62.11 H new