USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-5.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.704 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.22 K(o=-0.22,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.898 K(o=-0.9,f=-0.2) USER MOD Single : A 38 MET CE :methyl 156:sc= -1.1 (180deg=-2.69!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 47 SER OG : rot 33:sc= 0.705 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 64 ASN : amide:sc= 0.0234 X(o=0.023,f=0.053!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 165:sc= -1.32 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.42 USER MOD Single : A 88 GLN : amide:sc= -2.95! C(o=-2.9!,f=-5.9!) USER MOD Single : A 90 ASN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 3 6.480 -1.367 -3.777 1.00 52.32 N ATOM 38 CA ALA A 3 7.229 -1.131 -5.005 1.00 63.40 C ATOM 39 C ALA A 3 6.299 -0.754 -6.153 1.00 14.05 C ATOM 40 O ALA A 3 5.158 -1.210 -6.234 1.00 51.02 O ATOM 41 CB ALA A 3 8.046 -2.362 -5.369 1.00 24.33 C ATOM 0 HA ALA A 3 7.907 -0.295 -4.832 1.00 63.40 H new ATOM 0 HB1 ALA A 3 8.600 -2.172 -6.288 1.00 24.33 H new ATOM 0 HB2 ALA A 3 8.745 -2.586 -4.563 1.00 24.33 H new ATOM 0 HB3 ALA A 3 7.379 -3.211 -5.517 1.00 24.33 H new ATOM 47 N PRO A 4 6.794 0.100 -7.061 1.00 31.50 N ATOM 48 CA PRO A 4 6.022 0.557 -8.220 1.00 44.24 C ATOM 49 C PRO A 4 5.797 -0.553 -9.242 1.00 3.44 C ATOM 50 O PRO A 4 6.436 -1.605 -9.202 1.00 14.33 O ATOM 51 CB PRO A 4 6.899 1.662 -8.816 1.00 14.12 C ATOM 52 CG PRO A 4 8.283 1.324 -8.380 1.00 15.43 C ATOM 53 CD PRO A 4 8.145 0.683 -7.027 1.00 4.15 C ATOM 0 HA PRO A 4 5.023 0.891 -7.938 1.00 44.24 H new ATOM 0 HB2 PRO A 4 6.821 1.686 -9.903 1.00 14.12 H new ATOM 0 HB3 PRO A 4 6.599 2.645 -8.453 1.00 14.12 H new ATOM 0 HG2 PRO A 4 8.760 0.645 -9.087 1.00 15.43 H new ATOM 0 HG3 PRO A 4 8.905 2.218 -8.327 1.00 15.43 H new ATOM 0 HD2 PRO A 4 8.907 -0.079 -6.864 1.00 4.15 H new ATOM 0 HD3 PRO A 4 8.247 1.413 -6.224 1.00 4.15 H new ATOM 61 N PRO A 5 4.869 -0.315 -10.180 1.00 32.11 N ATOM 62 CA PRO A 5 4.539 -1.283 -11.230 1.00 42.04 C ATOM 63 C PRO A 5 5.665 -1.442 -12.246 1.00 25.52 C ATOM 64 O PRO A 5 6.235 -0.458 -12.715 1.00 1.43 O ATOM 65 CB PRO A 5 3.301 -0.677 -11.896 1.00 2.53 C ATOM 66 CG PRO A 5 3.407 0.786 -11.632 1.00 22.24 C ATOM 67 CD PRO A 5 4.070 0.917 -10.288 1.00 75.00 C ATOM 0 HA PRO A 5 4.377 -2.282 -10.826 1.00 42.04 H new ATOM 0 HB2 PRO A 5 3.284 -0.886 -12.966 1.00 2.53 H new ATOM 0 HB3 PRO A 5 2.384 -1.090 -11.476 1.00 2.53 H new ATOM 0 HG2 PRO A 5 3.993 1.281 -12.406 1.00 22.24 H new ATOM 0 HG3 PRO A 5 2.423 1.254 -11.629 1.00 22.24 H new ATOM 0 HD2 PRO A 5 4.696 1.808 -10.234 1.00 75.00 H new ATOM 0 HD3 PRO A 5 3.338 0.993 -9.484 1.00 75.00 H new ATOM 75 N ALA A 6 5.981 -2.689 -12.582 1.00 22.04 N ATOM 76 CA ALA A 6 7.038 -2.977 -13.544 1.00 12.34 C ATOM 77 C ALA A 6 6.534 -2.824 -14.975 1.00 11.54 C ATOM 78 O ALA A 6 5.406 -3.203 -15.291 1.00 61.54 O ATOM 79 CB ALA A 6 7.586 -4.379 -13.322 1.00 54.21 C ATOM 0 H ALA A 6 5.520 -3.516 -12.202 1.00 22.04 H new ATOM 0 HA ALA A 6 7.841 -2.257 -13.391 1.00 12.34 H new ATOM 0 HB1 ALA A 6 8.374 -4.581 -14.047 1.00 54.21 H new ATOM 0 HB2 ALA A 6 7.992 -4.455 -12.314 1.00 54.21 H new ATOM 0 HB3 ALA A 6 6.784 -5.107 -13.446 1.00 54.21 H new ATOM 85 N THR A 7 7.377 -2.263 -15.837 1.00 75.52 N ATOM 86 CA THR A 7 7.016 -2.058 -17.234 1.00 71.12 C ATOM 87 C THR A 7 7.556 -3.181 -18.112 1.00 45.13 C ATOM 88 O THR A 7 8.572 -3.018 -18.791 1.00 32.55 O ATOM 89 CB THR A 7 7.546 -0.711 -17.759 1.00 42.41 C ATOM 90 OG1 THR A 7 7.144 0.349 -16.884 1.00 34.21 O ATOM 91 CG2 THR A 7 7.032 -0.437 -19.165 1.00 21.15 C ATOM 0 H THR A 7 8.314 -1.943 -15.592 1.00 75.52 H new ATOM 0 HA THR A 7 5.927 -2.055 -17.282 1.00 71.12 H new ATOM 0 HB THR A 7 8.634 -0.762 -17.791 1.00 42.41 H new ATOM 0 HG1 THR A 7 7.487 1.202 -17.224 1.00 34.21 H new ATOM 0 HG21 THR A 7 7.420 0.520 -19.514 1.00 21.15 H new ATOM 0 HG22 THR A 7 7.365 -1.230 -19.835 1.00 21.15 H new ATOM 0 HG23 THR A 7 5.943 -0.405 -19.154 1.00 21.15 H new ATOM 99 N LEU A 8 6.872 -4.319 -18.096 1.00 64.54 N ATOM 100 CA LEU A 8 7.284 -5.470 -18.893 1.00 31.53 C ATOM 101 C LEU A 8 6.928 -5.271 -20.362 1.00 73.14 C ATOM 102 O LEU A 8 5.754 -5.278 -20.732 1.00 42.04 O ATOM 103 CB LEU A 8 6.622 -6.744 -18.364 1.00 20.20 C ATOM 104 CG LEU A 8 6.754 -6.995 -16.861 1.00 55.23 C ATOM 105 CD1 LEU A 8 5.421 -6.770 -16.164 1.00 72.41 C ATOM 106 CD2 LEU A 8 7.265 -8.404 -16.598 1.00 55.23 C ATOM 0 H LEU A 8 6.030 -4.470 -17.540 1.00 64.54 H new ATOM 0 HA LEU A 8 8.366 -5.569 -18.811 1.00 31.53 H new ATOM 0 HB2 LEU A 8 5.562 -6.709 -18.615 1.00 20.20 H new ATOM 0 HB3 LEU A 8 7.047 -7.597 -18.893 1.00 20.20 H new ATOM 0 HG LEU A 8 7.477 -6.287 -16.456 1.00 55.23 H new ATOM 0 HD11 LEU A 8 5.534 -6.953 -15.095 1.00 72.41 H new ATOM 0 HD12 LEU A 8 5.096 -5.742 -16.324 1.00 72.41 H new ATOM 0 HD13 LEU A 8 4.677 -7.454 -16.573 1.00 72.41 H new ATOM 0 HD21 LEU A 8 7.353 -8.565 -15.523 1.00 55.23 H new ATOM 0 HD22 LEU A 8 6.567 -9.128 -17.017 1.00 55.23 H new ATOM 0 HD23 LEU A 8 8.242 -8.530 -17.065 1.00 55.23 H new ATOM 118 N GLU A 9 7.949 -5.096 -21.195 1.00 40.11 N ATOM 119 CA GLU A 9 7.743 -4.896 -22.625 1.00 34.32 C ATOM 120 C GLU A 9 7.603 -6.234 -23.346 1.00 42.33 C ATOM 121 O GLU A 9 7.458 -7.280 -22.714 1.00 42.45 O ATOM 122 CB GLU A 9 8.903 -4.100 -23.224 1.00 4.41 C ATOM 123 CG GLU A 9 8.564 -2.645 -23.503 1.00 34.13 C ATOM 124 CD GLU A 9 7.338 -2.491 -24.383 1.00 4.54 C ATOM 125 OE1 GLU A 9 7.178 -3.297 -25.322 1.00 61.53 O ATOM 126 OE2 GLU A 9 6.541 -1.563 -24.132 1.00 75.32 O ATOM 0 H GLU A 9 8.927 -5.089 -20.905 1.00 40.11 H new ATOM 0 HA GLU A 9 6.819 -4.332 -22.758 1.00 34.32 H new ATOM 0 HB2 GLU A 9 9.752 -4.142 -22.541 1.00 4.41 H new ATOM 0 HB3 GLU A 9 9.217 -4.576 -24.153 1.00 4.41 H new ATOM 0 HG2 GLU A 9 8.396 -2.127 -22.559 1.00 34.13 H new ATOM 0 HG3 GLU A 9 9.415 -2.163 -23.984 1.00 34.13 H new ATOM 133 N ALA A 10 7.648 -6.190 -24.674 1.00 33.51 N ATOM 134 CA ALA A 10 7.528 -7.398 -25.482 1.00 10.31 C ATOM 135 C ALA A 10 8.579 -7.425 -26.586 1.00 71.54 C ATOM 136 O ALA A 10 8.292 -7.096 -27.738 1.00 35.53 O ATOM 137 CB ALA A 10 6.131 -7.498 -26.077 1.00 22.10 C ATOM 0 H ALA A 10 7.767 -5.332 -25.212 1.00 33.51 H new ATOM 0 HA ALA A 10 7.697 -8.258 -24.834 1.00 10.31 H new ATOM 0 HB1 ALA A 10 6.055 -8.404 -26.678 1.00 22.10 H new ATOM 0 HB2 ALA A 10 5.395 -7.533 -25.274 1.00 22.10 H new ATOM 0 HB3 ALA A 10 5.940 -6.629 -26.706 1.00 22.10 H new ATOM 143 N ILE A 11 9.796 -7.819 -26.228 1.00 65.04 N ATOM 144 CA ILE A 11 10.890 -7.890 -27.190 1.00 55.41 C ATOM 145 C ILE A 11 10.703 -9.060 -28.150 1.00 13.12 C ATOM 146 O ILE A 11 9.808 -9.887 -27.971 1.00 53.30 O ATOM 147 CB ILE A 11 12.251 -8.031 -26.485 1.00 44.11 C ATOM 148 CG1 ILE A 11 12.362 -7.027 -25.336 1.00 10.31 C ATOM 149 CG2 ILE A 11 13.386 -7.833 -27.480 1.00 33.05 C ATOM 150 CD1 ILE A 11 12.848 -5.662 -25.771 1.00 2.12 C ATOM 0 H ILE A 11 10.050 -8.094 -25.279 1.00 65.04 H new ATOM 0 HA ILE A 11 10.877 -6.956 -27.752 1.00 55.41 H new ATOM 0 HB ILE A 11 12.327 -9.037 -26.072 1.00 44.11 H new ATOM 0 HG12 ILE A 11 11.387 -6.922 -24.861 1.00 10.31 H new ATOM 0 HG13 ILE A 11 13.043 -7.423 -24.583 1.00 10.31 H new ATOM 0 HG21 ILE A 11 14.342 -7.936 -26.967 1.00 33.05 H new ATOM 0 HG22 ILE A 11 13.315 -8.583 -28.267 1.00 33.05 H new ATOM 0 HG23 ILE A 11 13.315 -6.838 -27.919 1.00 33.05 H new ATOM 0 HD11 ILE A 11 12.902 -5.002 -24.905 1.00 2.12 H new ATOM 0 HD12 ILE A 11 13.837 -5.754 -26.220 1.00 2.12 H new ATOM 0 HD13 ILE A 11 12.155 -5.245 -26.502 1.00 2.12 H new ATOM 162 N HIS A 12 11.555 -9.125 -29.168 1.00 54.11 N ATOM 163 CA HIS A 12 11.485 -10.196 -30.156 1.00 23.03 C ATOM 164 C HIS A 12 11.522 -11.563 -29.478 1.00 43.34 C ATOM 165 O HIS A 12 11.737 -11.679 -28.272 1.00 11.24 O ATOM 166 CB HIS A 12 12.639 -10.076 -31.151 1.00 45.13 C ATOM 167 CG HIS A 12 12.204 -9.675 -32.527 1.00 43.12 C ATOM 168 ND1 HIS A 12 10.940 -9.921 -33.018 1.00 75.02 N ATOM 169 CD2 HIS A 12 12.874 -9.040 -33.517 1.00 53.54 C ATOM 170 CE1 HIS A 12 10.850 -9.456 -34.251 1.00 62.05 C ATOM 171 NE2 HIS A 12 12.010 -8.916 -34.578 1.00 44.21 N ATOM 0 H HIS A 12 12.302 -8.449 -29.330 1.00 54.11 H new ATOM 0 HA HIS A 12 10.541 -10.101 -30.693 1.00 23.03 H new ATOM 0 HB2 HIS A 12 13.355 -9.344 -30.778 1.00 45.13 H new ATOM 0 HB3 HIS A 12 13.160 -11.032 -31.208 1.00 45.13 H new ATOM 0 HD2 HIS A 12 13.897 -8.695 -33.480 1.00 53.54 H new ATOM 0 HE1 HIS A 12 9.977 -9.508 -34.884 1.00 62.05 H new ATOM 0 HE2 HIS A 12 12.229 -8.478 -35.473 1.00 44.21 H new ATOM 179 N PRO A 13 11.308 -12.623 -30.271 1.00 55.25 N ATOM 180 CA PRO A 13 11.311 -14.000 -29.770 1.00 21.31 C ATOM 181 C PRO A 13 12.705 -14.465 -29.361 1.00 52.23 C ATOM 182 O PRO A 13 12.969 -15.664 -29.268 1.00 14.21 O ATOM 183 CB PRO A 13 10.805 -14.814 -30.964 1.00 11.23 C ATOM 184 CG PRO A 13 11.154 -13.993 -32.157 1.00 2.01 C ATOM 185 CD PRO A 13 11.045 -12.559 -31.719 1.00 42.40 C ATOM 0 HA PRO A 13 10.700 -14.108 -28.874 1.00 21.31 H new ATOM 0 HB2 PRO A 13 11.280 -15.794 -31.005 1.00 11.23 H new ATOM 0 HB3 PRO A 13 9.730 -14.983 -30.901 1.00 11.23 H new ATOM 0 HG2 PRO A 13 12.162 -14.219 -32.505 1.00 2.01 H new ATOM 0 HG3 PRO A 13 10.477 -14.201 -32.985 1.00 2.01 H new ATOM 0 HD2 PRO A 13 11.770 -11.926 -32.231 1.00 42.40 H new ATOM 0 HD3 PRO A 13 10.058 -12.148 -31.930 1.00 42.40 H new ATOM 193 N LYS A 14 13.594 -13.508 -29.118 1.00 65.40 N ATOM 194 CA LYS A 14 14.962 -13.819 -28.717 1.00 53.43 C ATOM 195 C LYS A 14 15.335 -13.077 -27.438 1.00 43.40 C ATOM 196 O LYS A 14 16.510 -12.821 -27.178 1.00 2.12 O ATOM 197 CB LYS A 14 15.939 -13.451 -29.836 1.00 72.24 C ATOM 198 CG LYS A 14 16.076 -11.955 -30.057 1.00 4.22 C ATOM 199 CD LYS A 14 17.276 -11.628 -30.931 1.00 15.21 C ATOM 200 CE LYS A 14 16.992 -10.448 -31.848 1.00 13.12 C ATOM 201 NZ LYS A 14 18.205 -9.613 -32.069 1.00 71.11 N ATOM 0 H LYS A 14 13.392 -12.511 -29.192 1.00 65.40 H new ATOM 0 HA LYS A 14 15.024 -14.890 -28.526 1.00 53.43 H new ATOM 0 HB2 LYS A 14 16.919 -13.866 -29.602 1.00 72.24 H new ATOM 0 HB3 LYS A 14 15.608 -13.918 -30.764 1.00 72.24 H new ATOM 0 HG2 LYS A 14 15.169 -11.571 -30.524 1.00 4.22 H new ATOM 0 HG3 LYS A 14 16.177 -11.452 -29.095 1.00 4.22 H new ATOM 0 HD2 LYS A 14 18.136 -11.402 -30.301 1.00 15.21 H new ATOM 0 HD3 LYS A 14 17.540 -12.500 -31.529 1.00 15.21 H new ATOM 0 HE2 LYS A 14 16.623 -10.813 -32.806 1.00 13.12 H new ATOM 0 HE3 LYS A 14 16.202 -9.834 -31.416 1.00 13.12 H new ATOM 0 HZ1 LYS A 14 17.970 -8.819 -32.699 1.00 71.11 H new ATOM 0 HZ2 LYS A 14 18.543 -9.243 -31.157 1.00 71.11 H new ATOM 0 HZ3 LYS A 14 18.950 -10.192 -32.505 1.00 71.11 H new ATOM 215 N GLY A 15 14.327 -12.734 -26.641 1.00 61.55 N ATOM 216 CA GLY A 15 14.571 -12.027 -25.398 1.00 41.43 C ATOM 217 C GLY A 15 13.385 -11.188 -24.966 1.00 51.55 C ATOM 218 O GLY A 15 12.352 -11.168 -25.637 1.00 12.30 O ATOM 0 H GLY A 15 13.346 -12.934 -26.835 1.00 61.55 H new ATOM 0 HA2 GLY A 15 14.807 -12.747 -24.614 1.00 41.43 H new ATOM 0 HA3 GLY A 15 15.444 -11.384 -25.514 1.00 41.43 H new ATOM 222 N LEU A 16 13.531 -10.494 -23.843 1.00 51.31 N ATOM 223 CA LEU A 16 12.462 -9.649 -23.321 1.00 31.52 C ATOM 224 C LEU A 16 13.032 -8.470 -22.539 1.00 71.22 C ATOM 225 O LEU A 16 14.206 -8.468 -22.168 1.00 51.14 O ATOM 226 CB LEU A 16 11.531 -10.468 -22.425 1.00 12.24 C ATOM 227 CG LEU A 16 10.226 -9.785 -22.011 1.00 63.53 C ATOM 228 CD1 LEU A 16 9.502 -9.236 -23.230 1.00 51.22 C ATOM 229 CD2 LEU A 16 9.334 -10.756 -21.251 1.00 62.22 C ATOM 0 H LEU A 16 14.379 -10.499 -23.276 1.00 51.31 H new ATOM 0 HA LEU A 16 11.894 -9.259 -24.166 1.00 31.52 H new ATOM 0 HB2 LEU A 16 11.284 -11.395 -22.942 1.00 12.24 H new ATOM 0 HB3 LEU A 16 12.077 -10.742 -21.522 1.00 12.24 H new ATOM 0 HG LEU A 16 10.467 -8.952 -21.351 1.00 63.53 H new ATOM 0 HD11 LEU A 16 8.576 -8.754 -22.917 1.00 51.22 H new ATOM 0 HD12 LEU A 16 10.138 -8.508 -23.734 1.00 51.22 H new ATOM 0 HD13 LEU A 16 9.272 -10.052 -23.915 1.00 51.22 H new ATOM 0 HD21 LEU A 16 8.410 -10.253 -20.964 1.00 62.22 H new ATOM 0 HD22 LEU A 16 9.100 -11.610 -21.887 1.00 62.22 H new ATOM 0 HD23 LEU A 16 9.852 -11.102 -20.356 1.00 62.22 H new ATOM 241 N ARG A 17 12.192 -7.470 -22.291 1.00 24.44 N ATOM 242 CA ARG A 17 12.612 -6.286 -21.552 1.00 44.30 C ATOM 243 C ARG A 17 11.685 -6.026 -20.368 1.00 42.13 C ATOM 244 O ARG A 17 10.473 -6.217 -20.463 1.00 14.55 O ATOM 245 CB ARG A 17 12.635 -5.065 -22.474 1.00 35.12 C ATOM 246 CG ARG A 17 13.025 -3.776 -21.769 1.00 20.42 C ATOM 247 CD ARG A 17 12.917 -2.578 -22.699 1.00 10.14 C ATOM 248 NE ARG A 17 12.742 -1.329 -21.963 1.00 15.41 N ATOM 249 CZ ARG A 17 11.670 -1.053 -21.227 1.00 62.14 C ATOM 250 NH1 ARG A 17 10.685 -1.934 -21.130 1.00 35.43 N ATOM 251 NH2 ARG A 17 11.584 0.106 -20.587 1.00 73.02 N ATOM 0 H ARG A 17 11.217 -7.457 -22.591 1.00 24.44 H new ATOM 0 HA ARG A 17 13.618 -6.464 -21.171 1.00 44.30 H new ATOM 0 HB2 ARG A 17 13.335 -5.249 -23.289 1.00 35.12 H new ATOM 0 HB3 ARG A 17 11.649 -4.940 -22.922 1.00 35.12 H new ATOM 0 HG2 ARG A 17 12.381 -3.625 -20.903 1.00 20.42 H new ATOM 0 HG3 ARG A 17 14.046 -3.858 -21.397 1.00 20.42 H new ATOM 0 HD2 ARG A 17 13.815 -2.514 -23.314 1.00 10.14 H new ATOM 0 HD3 ARG A 17 12.076 -2.720 -23.377 1.00 10.14 H new ATOM 0 HE ARG A 17 13.483 -0.630 -22.017 1.00 15.41 H new ATOM 0 HH11 ARG A 17 10.748 -2.826 -21.621 1.00 35.43 H new ATOM 0 HH12 ARG A 17 9.863 -1.720 -20.565 1.00 35.43 H new ATOM 0 HH21 ARG A 17 12.341 0.786 -20.660 1.00 73.02 H new ATOM 0 HH22 ARG A 17 10.761 0.317 -20.022 1.00 73.02 H new ATOM 265 N VAL A 18 12.264 -5.590 -19.254 1.00 63.00 N ATOM 266 CA VAL A 18 11.490 -5.303 -18.052 1.00 25.50 C ATOM 267 C VAL A 18 12.170 -4.235 -17.203 1.00 22.45 C ATOM 268 O VAL A 18 13.137 -4.514 -16.494 1.00 4.12 O ATOM 269 CB VAL A 18 11.288 -6.570 -17.199 1.00 63.24 C ATOM 270 CG1 VAL A 18 10.709 -6.212 -15.839 1.00 43.33 C ATOM 271 CG2 VAL A 18 10.392 -7.563 -17.925 1.00 3.33 C ATOM 0 H VAL A 18 13.267 -5.428 -19.159 1.00 63.00 H new ATOM 0 HA VAL A 18 10.518 -4.937 -18.381 1.00 25.50 H new ATOM 0 HB VAL A 18 12.259 -7.039 -17.041 1.00 63.24 H new ATOM 0 HG11 VAL A 18 10.573 -7.120 -15.251 1.00 43.33 H new ATOM 0 HG12 VAL A 18 11.392 -5.541 -15.318 1.00 43.33 H new ATOM 0 HG13 VAL A 18 9.746 -5.719 -15.972 1.00 43.33 H new ATOM 0 HG21 VAL A 18 10.260 -8.452 -17.308 1.00 3.33 H new ATOM 0 HG22 VAL A 18 9.421 -7.106 -18.115 1.00 3.33 H new ATOM 0 HG23 VAL A 18 10.853 -7.844 -18.872 1.00 3.33 H new ATOM 281 N SER A 19 11.657 -3.012 -17.278 1.00 41.45 N ATOM 282 CA SER A 19 12.217 -1.900 -16.519 1.00 14.32 C ATOM 283 C SER A 19 11.214 -1.386 -15.489 1.00 63.35 C ATOM 284 O SER A 19 10.007 -1.578 -15.632 1.00 73.22 O ATOM 285 CB SER A 19 12.624 -0.765 -17.461 1.00 3.05 C ATOM 286 OG SER A 19 12.957 0.406 -16.734 1.00 70.45 O ATOM 0 H SER A 19 10.854 -2.765 -17.857 1.00 41.45 H new ATOM 0 HA SER A 19 13.101 -2.260 -15.993 1.00 14.32 H new ATOM 0 HB2 SER A 19 13.476 -1.077 -18.065 1.00 3.05 H new ATOM 0 HB3 SER A 19 11.807 -0.549 -18.150 1.00 3.05 H new ATOM 0 HG SER A 19 12.751 1.197 -17.275 1.00 70.45 H new ATOM 292 N VAL A 20 11.725 -0.732 -14.451 1.00 32.00 N ATOM 293 CA VAL A 20 10.876 -0.189 -13.397 1.00 71.31 C ATOM 294 C VAL A 20 11.367 1.182 -12.947 1.00 64.02 C ATOM 295 O VAL A 20 12.555 1.499 -13.023 1.00 33.15 O ATOM 296 CB VAL A 20 10.824 -1.129 -12.178 1.00 63.31 C ATOM 297 CG1 VAL A 20 10.347 -2.513 -12.591 1.00 33.33 C ATOM 298 CG2 VAL A 20 12.187 -1.205 -11.506 1.00 11.20 C ATOM 0 H VAL A 20 12.722 -0.565 -14.317 1.00 32.00 H new ATOM 0 HA VAL A 20 9.874 -0.093 -13.816 1.00 71.31 H new ATOM 0 HB VAL A 20 10.111 -0.725 -11.459 1.00 63.31 H new ATOM 0 HG11 VAL A 20 10.317 -3.163 -11.717 1.00 33.33 H new ATOM 0 HG12 VAL A 20 9.349 -2.440 -13.024 1.00 33.33 H new ATOM 0 HG13 VAL A 20 11.033 -2.929 -13.329 1.00 33.33 H new ATOM 0 HG21 VAL A 20 12.132 -1.873 -10.647 1.00 11.20 H new ATOM 0 HG22 VAL A 20 12.922 -1.586 -12.215 1.00 11.20 H new ATOM 0 HG23 VAL A 20 12.485 -0.211 -11.174 1.00 11.20 H new ATOM 308 N PRO A 21 10.434 2.017 -12.467 1.00 32.20 N ATOM 309 CA PRO A 21 10.748 3.368 -11.994 1.00 2.20 C ATOM 310 C PRO A 21 11.546 3.357 -10.695 1.00 24.42 C ATOM 311 O PRO A 21 11.131 2.754 -9.705 1.00 73.41 O ATOM 312 CB PRO A 21 9.370 3.995 -11.769 1.00 71.02 C ATOM 313 CG PRO A 21 8.465 2.839 -11.517 1.00 74.04 C ATOM 314 CD PRO A 21 8.999 1.705 -12.348 1.00 44.52 C ATOM 0 HA PRO A 21 11.369 3.914 -12.704 1.00 2.20 H new ATOM 0 HB2 PRO A 21 9.381 4.681 -10.922 1.00 71.02 H new ATOM 0 HB3 PRO A 21 9.048 4.567 -12.639 1.00 71.02 H new ATOM 0 HG2 PRO A 21 8.454 2.576 -10.459 1.00 74.04 H new ATOM 0 HG3 PRO A 21 7.439 3.078 -11.797 1.00 74.04 H new ATOM 0 HD2 PRO A 21 8.836 0.741 -11.865 1.00 44.52 H new ATOM 0 HD3 PRO A 21 8.515 1.659 -13.324 1.00 44.52 H new ATOM 322 N ASP A 22 12.693 4.026 -10.705 1.00 5.43 N ATOM 323 CA ASP A 22 13.549 4.094 -9.526 1.00 4.41 C ATOM 324 C ASP A 22 13.143 5.257 -8.626 1.00 4.22 C ATOM 325 O ASP A 22 13.722 6.341 -8.698 1.00 31.23 O ATOM 326 CB ASP A 22 15.014 4.242 -9.941 1.00 22.32 C ATOM 327 CG ASP A 22 15.939 4.405 -8.751 1.00 3.21 C ATOM 328 OD1 ASP A 22 15.622 3.860 -7.673 1.00 21.31 O ATOM 329 OD2 ASP A 22 16.981 5.078 -8.898 1.00 31.22 O ATOM 0 H ASP A 22 13.052 4.529 -11.516 1.00 5.43 H new ATOM 0 HA ASP A 22 13.430 3.166 -8.967 1.00 4.41 H new ATOM 0 HB2 ASP A 22 15.316 3.366 -10.515 1.00 22.32 H new ATOM 0 HB3 ASP A 22 15.117 5.105 -10.598 1.00 22.32 H new ATOM 334 N GLU A 23 12.145 5.024 -7.780 1.00 73.31 N ATOM 335 CA GLU A 23 11.661 6.053 -6.868 1.00 13.12 C ATOM 336 C GLU A 23 12.680 6.326 -5.765 1.00 73.41 C ATOM 337 O GLU A 23 12.459 7.167 -4.895 1.00 60.10 O ATOM 338 CB GLU A 23 10.325 5.632 -6.251 1.00 3.14 C ATOM 339 CG GLU A 23 9.170 6.550 -6.614 1.00 44.03 C ATOM 340 CD GLU A 23 7.902 6.222 -5.851 1.00 71.00 C ATOM 341 OE1 GLU A 23 7.877 6.435 -4.621 1.00 51.20 O ATOM 342 OE2 GLU A 23 6.934 5.752 -6.485 1.00 13.02 O ATOM 0 H GLU A 23 11.656 4.132 -7.707 1.00 73.31 H new ATOM 0 HA GLU A 23 11.516 6.970 -7.440 1.00 13.12 H new ATOM 0 HB2 GLU A 23 10.088 4.619 -6.575 1.00 3.14 H new ATOM 0 HB3 GLU A 23 10.428 5.604 -5.166 1.00 3.14 H new ATOM 0 HG2 GLU A 23 9.454 7.583 -6.412 1.00 44.03 H new ATOM 0 HG3 GLU A 23 8.975 6.477 -7.684 1.00 44.03 H new ATOM 349 N GLY A 24 13.797 5.606 -5.809 1.00 1.22 N ATOM 350 CA GLY A 24 14.833 5.784 -4.808 1.00 64.14 C ATOM 351 C GLY A 24 15.361 4.465 -4.279 1.00 75.12 C ATOM 352 O GLY A 24 15.807 4.381 -3.135 1.00 32.32 O ATOM 0 H GLY A 24 14.003 4.903 -6.519 1.00 1.22 H new ATOM 0 HA2 GLY A 24 15.656 6.355 -5.239 1.00 64.14 H new ATOM 0 HA3 GLY A 24 14.437 6.372 -3.980 1.00 64.14 H new ATOM 356 N PHE A 25 15.308 3.431 -5.113 1.00 0.33 N ATOM 357 CA PHE A 25 15.782 2.109 -4.721 1.00 74.23 C ATOM 358 C PHE A 25 17.306 2.043 -4.761 1.00 74.03 C ATOM 359 O PHE A 25 17.962 2.926 -5.313 1.00 55.41 O ATOM 360 CB PHE A 25 15.189 1.039 -5.641 1.00 24.10 C ATOM 361 CG PHE A 25 13.696 0.916 -5.534 1.00 23.13 C ATOM 362 CD1 PHE A 25 13.112 0.387 -4.394 1.00 55.24 C ATOM 363 CD2 PHE A 25 12.878 1.328 -6.573 1.00 14.53 C ATOM 364 CE1 PHE A 25 11.738 0.273 -4.292 1.00 72.13 C ATOM 365 CE2 PHE A 25 11.503 1.217 -6.476 1.00 45.11 C ATOM 366 CZ PHE A 25 10.933 0.688 -5.335 1.00 71.51 C ATOM 0 H PHE A 25 14.942 3.483 -6.064 1.00 0.33 H new ATOM 0 HA PHE A 25 15.455 1.921 -3.698 1.00 74.23 H new ATOM 0 HB2 PHE A 25 15.453 1.271 -6.673 1.00 24.10 H new ATOM 0 HB3 PHE A 25 15.643 0.076 -5.405 1.00 24.10 H new ATOM 0 HD1 PHE A 25 13.737 0.060 -3.576 1.00 55.24 H new ATOM 0 HD2 PHE A 25 13.319 1.740 -7.469 1.00 14.53 H new ATOM 0 HE1 PHE A 25 11.295 -0.140 -3.398 1.00 72.13 H new ATOM 0 HE2 PHE A 25 10.876 1.544 -7.292 1.00 45.11 H new ATOM 0 HZ PHE A 25 9.859 0.599 -5.258 1.00 71.51 H new ATOM 376 N SER A 26 17.862 0.990 -4.172 1.00 21.34 N ATOM 377 CA SER A 26 19.309 0.810 -4.135 1.00 73.33 C ATOM 378 C SER A 26 19.703 -0.541 -4.724 1.00 70.41 C ATOM 379 O SER A 26 20.869 -0.777 -5.043 1.00 4.45 O ATOM 380 CB SER A 26 19.822 0.922 -2.698 1.00 50.05 C ATOM 381 OG SER A 26 21.181 0.531 -2.610 1.00 43.25 O ATOM 0 H SER A 26 17.333 0.248 -3.714 1.00 21.34 H new ATOM 0 HA SER A 26 19.764 1.596 -4.737 1.00 73.33 H new ATOM 0 HB2 SER A 26 19.712 1.949 -2.348 1.00 50.05 H new ATOM 0 HB3 SER A 26 19.217 0.296 -2.043 1.00 50.05 H new ATOM 0 HG SER A 26 21.486 0.613 -1.682 1.00 43.25 H new ATOM 387 N LEU A 27 18.723 -1.426 -4.866 1.00 75.40 N ATOM 388 CA LEU A 27 18.965 -2.755 -5.417 1.00 21.34 C ATOM 389 C LEU A 27 17.684 -3.348 -5.994 1.00 14.04 C ATOM 390 O LEU A 27 16.615 -3.251 -5.390 1.00 2.45 O ATOM 391 CB LEU A 27 19.528 -3.681 -4.337 1.00 32.31 C ATOM 392 CG LEU A 27 19.146 -5.157 -4.453 1.00 61.50 C ATOM 393 CD1 LEU A 27 17.682 -5.360 -4.093 1.00 25.30 C ATOM 394 CD2 LEU A 27 19.428 -5.672 -5.857 1.00 21.40 C ATOM 0 H LEU A 27 17.753 -1.248 -4.607 1.00 75.40 H new ATOM 0 HA LEU A 27 19.693 -2.660 -6.222 1.00 21.34 H new ATOM 0 HB2 LEU A 27 20.615 -3.605 -4.352 1.00 32.31 H new ATOM 0 HB3 LEU A 27 19.197 -3.316 -3.365 1.00 32.31 H new ATOM 0 HG LEU A 27 19.754 -5.726 -3.750 1.00 61.50 H new ATOM 0 HD11 LEU A 27 17.429 -6.416 -4.181 1.00 25.30 H new ATOM 0 HD12 LEU A 27 17.510 -5.030 -3.068 1.00 25.30 H new ATOM 0 HD13 LEU A 27 17.057 -4.779 -4.771 1.00 25.30 H new ATOM 0 HD21 LEU A 27 19.150 -6.724 -5.921 1.00 21.40 H new ATOM 0 HD22 LEU A 27 18.846 -5.098 -6.579 1.00 21.40 H new ATOM 0 HD23 LEU A 27 20.490 -5.563 -6.078 1.00 21.40 H new ATOM 406 N PHE A 28 17.798 -3.964 -7.165 1.00 60.34 N ATOM 407 CA PHE A 28 16.649 -4.574 -7.824 1.00 32.42 C ATOM 408 C PHE A 28 16.971 -5.997 -8.272 1.00 74.00 C ATOM 409 O PHE A 28 18.111 -6.308 -8.616 1.00 14.13 O ATOM 410 CB PHE A 28 16.218 -3.734 -9.027 1.00 40.44 C ATOM 411 CG PHE A 28 14.861 -4.098 -9.559 1.00 23.33 C ATOM 412 CD1 PHE A 28 13.804 -4.332 -8.694 1.00 51.54 C ATOM 413 CD2 PHE A 28 14.644 -4.209 -10.923 1.00 14.53 C ATOM 414 CE1 PHE A 28 12.554 -4.667 -9.180 1.00 60.00 C ATOM 415 CE2 PHE A 28 13.396 -4.543 -11.414 1.00 60.21 C ATOM 416 CZ PHE A 28 12.350 -4.774 -10.542 1.00 3.02 C ATOM 0 H PHE A 28 18.675 -4.054 -7.678 1.00 60.34 H new ATOM 0 HA PHE A 28 15.830 -4.614 -7.106 1.00 32.42 H new ATOM 0 HB2 PHE A 28 16.218 -2.682 -8.743 1.00 40.44 H new ATOM 0 HB3 PHE A 28 16.954 -3.849 -9.823 1.00 40.44 H new ATOM 0 HD1 PHE A 28 13.959 -4.252 -7.628 1.00 51.54 H new ATOM 0 HD2 PHE A 28 15.459 -4.033 -11.610 1.00 14.53 H new ATOM 0 HE1 PHE A 28 11.738 -4.845 -8.496 1.00 60.00 H new ATOM 0 HE2 PHE A 28 13.239 -4.623 -12.479 1.00 60.21 H new ATOM 0 HZ PHE A 28 11.375 -5.038 -10.924 1.00 3.02 H new ATOM 426 N ALA A 29 15.957 -6.857 -8.265 1.00 2.22 N ATOM 427 CA ALA A 29 16.131 -8.246 -8.672 1.00 11.35 C ATOM 428 C ALA A 29 15.013 -8.687 -9.610 1.00 12.20 C ATOM 429 O ALA A 29 13.931 -8.098 -9.623 1.00 64.41 O ATOM 430 CB ALA A 29 16.185 -9.151 -7.450 1.00 12.34 C ATOM 0 H ALA A 29 15.007 -6.616 -7.982 1.00 2.22 H new ATOM 0 HA ALA A 29 17.075 -8.325 -9.211 1.00 11.35 H new ATOM 0 HB1 ALA A 29 16.315 -10.185 -7.769 1.00 12.34 H new ATOM 0 HB2 ALA A 29 17.023 -8.858 -6.817 1.00 12.34 H new ATOM 0 HB3 ALA A 29 15.256 -9.059 -6.888 1.00 12.34 H new ATOM 436 N PHE A 30 15.280 -9.725 -10.395 1.00 25.33 N ATOM 437 CA PHE A 30 14.297 -10.244 -11.338 1.00 60.21 C ATOM 438 C PHE A 30 14.166 -11.759 -11.209 1.00 30.00 C ATOM 439 O PHE A 30 15.158 -12.486 -11.266 1.00 20.43 O ATOM 440 CB PHE A 30 14.689 -9.875 -12.770 1.00 73.14 C ATOM 441 CG PHE A 30 14.846 -8.397 -12.987 1.00 25.22 C ATOM 442 CD1 PHE A 30 15.798 -7.678 -12.281 1.00 72.05 C ATOM 443 CD2 PHE A 30 14.043 -7.727 -13.895 1.00 70.01 C ATOM 444 CE1 PHE A 30 15.946 -6.318 -12.478 1.00 51.14 C ATOM 445 CE2 PHE A 30 14.187 -6.367 -14.097 1.00 32.34 C ATOM 446 CZ PHE A 30 15.138 -5.662 -13.387 1.00 5.35 C ATOM 0 H PHE A 30 16.170 -10.224 -10.397 1.00 25.33 H new ATOM 0 HA PHE A 30 13.333 -9.793 -11.104 1.00 60.21 H new ATOM 0 HB2 PHE A 30 15.626 -10.372 -13.021 1.00 73.14 H new ATOM 0 HB3 PHE A 30 13.932 -10.256 -13.455 1.00 73.14 H new ATOM 0 HD1 PHE A 30 16.431 -8.186 -11.569 1.00 72.05 H new ATOM 0 HD2 PHE A 30 13.296 -8.273 -14.452 1.00 70.01 H new ATOM 0 HE1 PHE A 30 16.692 -5.769 -11.922 1.00 51.14 H new ATOM 0 HE2 PHE A 30 13.556 -5.857 -14.810 1.00 32.34 H new ATOM 0 HZ PHE A 30 15.250 -4.599 -13.542 1.00 5.35 H new ATOM 456 N HIS A 31 12.934 -12.228 -11.034 1.00 43.34 N ATOM 457 CA HIS A 31 12.672 -13.656 -10.897 1.00 42.01 C ATOM 458 C HIS A 31 11.258 -13.996 -11.358 1.00 40.41 C ATOM 459 O HIS A 31 10.329 -14.050 -10.554 1.00 34.21 O ATOM 460 CB HIS A 31 12.867 -14.094 -9.445 1.00 70.43 C ATOM 461 CG HIS A 31 14.193 -14.741 -9.188 1.00 30.42 C ATOM 462 ND1 HIS A 31 14.756 -15.668 -10.039 1.00 62.23 N ATOM 463 CD2 HIS A 31 15.069 -14.589 -8.167 1.00 71.31 C ATOM 464 CE1 HIS A 31 15.920 -16.060 -9.553 1.00 4.42 C ATOM 465 NE2 HIS A 31 16.134 -15.419 -8.417 1.00 71.44 N ATOM 0 H HIS A 31 12.102 -11.640 -10.984 1.00 43.34 H new ATOM 0 HA HIS A 31 13.380 -14.193 -11.529 1.00 42.01 H new ATOM 0 HB2 HIS A 31 12.764 -13.225 -8.795 1.00 70.43 H new ATOM 0 HB3 HIS A 31 12.073 -14.791 -9.174 1.00 70.43 H new ATOM 0 HD1 HIS A 31 14.339 -16.000 -10.909 1.00 62.23 H new ATOM 0 HD2 HIS A 31 14.952 -13.936 -7.314 1.00 71.31 H new ATOM 0 HE1 HIS A 31 16.584 -16.781 -10.006 1.00 4.42 H new ATOM 473 N GLY A 32 11.103 -14.222 -12.659 1.00 61.51 N ATOM 474 CA GLY A 32 9.799 -14.553 -13.204 1.00 44.24 C ATOM 475 C GLY A 32 9.886 -15.516 -14.372 1.00 4.41 C ATOM 476 O GLY A 32 10.979 -15.845 -14.835 1.00 35.41 O ATOM 0 H GLY A 32 11.857 -14.182 -13.345 1.00 61.51 H new ATOM 0 HA2 GLY A 32 9.182 -14.992 -12.420 1.00 44.24 H new ATOM 0 HA3 GLY A 32 9.301 -13.639 -13.527 1.00 44.24 H new ATOM 480 N LYS A 33 8.733 -15.970 -14.849 1.00 54.23 N ATOM 481 CA LYS A 33 8.681 -16.901 -15.970 1.00 22.21 C ATOM 482 C LYS A 33 7.645 -16.459 -16.998 1.00 44.54 C ATOM 483 O LYS A 33 7.188 -15.315 -16.981 1.00 73.11 O ATOM 484 CB LYS A 33 8.352 -18.311 -15.473 1.00 43.14 C ATOM 485 CG LYS A 33 8.992 -18.650 -14.138 1.00 64.45 C ATOM 486 CD LYS A 33 7.955 -19.089 -13.118 1.00 43.41 C ATOM 487 CE LYS A 33 7.516 -20.526 -13.352 1.00 0.11 C ATOM 488 NZ LYS A 33 8.424 -21.499 -12.684 1.00 30.01 N ATOM 0 H LYS A 33 7.820 -15.708 -14.476 1.00 54.23 H new ATOM 0 HA LYS A 33 9.660 -16.909 -16.448 1.00 22.21 H new ATOM 0 HB2 LYS A 33 7.270 -18.413 -15.384 1.00 43.14 H new ATOM 0 HB3 LYS A 33 8.680 -19.036 -16.218 1.00 43.14 H new ATOM 0 HG2 LYS A 33 9.726 -19.444 -14.277 1.00 64.45 H new ATOM 0 HG3 LYS A 33 9.530 -17.781 -13.760 1.00 64.45 H new ATOM 0 HD2 LYS A 33 8.368 -18.993 -12.114 1.00 43.41 H new ATOM 0 HD3 LYS A 33 7.089 -18.430 -13.171 1.00 43.41 H new ATOM 0 HE2 LYS A 33 6.501 -20.661 -12.978 1.00 0.11 H new ATOM 0 HE3 LYS A 33 7.491 -20.728 -14.423 1.00 0.11 H new ATOM 0 HZ1 LYS A 33 8.091 -22.467 -12.867 1.00 30.01 H new ATOM 0 HZ2 LYS A 33 9.388 -21.388 -13.058 1.00 30.01 H new ATOM 0 HZ3 LYS A 33 8.428 -21.323 -11.659 1.00 30.01 H new ATOM 502 N LEU A 34 7.279 -17.370 -17.892 1.00 72.32 N ATOM 503 CA LEU A 34 6.295 -17.074 -18.928 1.00 20.21 C ATOM 504 C LEU A 34 5.268 -18.196 -19.040 1.00 60.43 C ATOM 505 O LEU A 34 5.593 -19.369 -18.860 1.00 64.03 O ATOM 506 CB LEU A 34 6.990 -16.867 -20.275 1.00 0.23 C ATOM 507 CG LEU A 34 6.136 -16.249 -21.382 1.00 42.34 C ATOM 508 CD1 LEU A 34 6.281 -14.735 -21.386 1.00 41.22 C ATOM 509 CD2 LEU A 34 6.520 -16.826 -22.737 1.00 22.41 C ATOM 0 H LEU A 34 7.649 -18.320 -17.921 1.00 72.32 H new ATOM 0 HA LEU A 34 5.775 -16.157 -18.650 1.00 20.21 H new ATOM 0 HB2 LEU A 34 7.861 -16.231 -20.118 1.00 0.23 H new ATOM 0 HB3 LEU A 34 7.358 -17.832 -20.623 1.00 0.23 H new ATOM 0 HG LEU A 34 5.092 -16.493 -21.188 1.00 42.34 H new ATOM 0 HD11 LEU A 34 5.666 -14.313 -22.181 1.00 41.22 H new ATOM 0 HD12 LEU A 34 5.957 -14.336 -20.425 1.00 41.22 H new ATOM 0 HD13 LEU A 34 7.325 -14.470 -21.555 1.00 41.22 H new ATOM 0 HD21 LEU A 34 5.902 -16.375 -23.513 1.00 22.41 H new ATOM 0 HD22 LEU A 34 7.570 -16.612 -22.939 1.00 22.41 H new ATOM 0 HD23 LEU A 34 6.364 -17.905 -22.731 1.00 22.41 H new ATOM 521 N ASN A 35 4.027 -17.828 -19.341 1.00 50.20 N ATOM 522 CA ASN A 35 2.952 -18.804 -19.479 1.00 41.24 C ATOM 523 C ASN A 35 2.949 -19.780 -18.307 1.00 3.24 C ATOM 524 O ASN A 35 2.532 -20.929 -18.445 1.00 20.15 O ATOM 525 CB ASN A 35 3.098 -19.571 -20.795 1.00 52.22 C ATOM 526 CG ASN A 35 2.643 -18.758 -21.992 1.00 2.52 C ATOM 527 OD1 ASN A 35 1.483 -18.825 -22.397 1.00 53.42 O ATOM 528 ND2 ASN A 35 3.559 -17.984 -22.563 1.00 53.24 N ATOM 0 H ASN A 35 3.741 -16.861 -19.494 1.00 50.20 H new ATOM 0 HA ASN A 35 2.004 -18.265 -19.482 1.00 41.24 H new ATOM 0 HB2 ASN A 35 4.140 -19.860 -20.930 1.00 52.22 H new ATOM 0 HB3 ASN A 35 2.517 -20.491 -20.742 1.00 52.22 H new ATOM 0 HD21 ASN A 35 3.312 -17.413 -23.372 1.00 53.24 H new ATOM 0 HD22 ASN A 35 4.509 -17.960 -22.193 1.00 53.24 H new ATOM 535 N GLU A 36 3.417 -19.312 -17.154 1.00 23.25 N ATOM 536 CA GLU A 36 3.469 -20.144 -15.957 1.00 74.31 C ATOM 537 C GLU A 36 3.769 -19.302 -14.721 1.00 14.42 C ATOM 538 O GLU A 36 4.656 -18.450 -14.739 1.00 2.51 O ATOM 539 CB GLU A 36 4.529 -21.236 -16.113 1.00 62.03 C ATOM 540 CG GLU A 36 4.522 -22.257 -14.988 1.00 73.33 C ATOM 541 CD GLU A 36 5.571 -23.336 -15.173 1.00 22.13 C ATOM 542 OE1 GLU A 36 5.754 -23.797 -16.318 1.00 73.55 O ATOM 543 OE2 GLU A 36 6.210 -23.719 -14.170 1.00 43.31 O ATOM 0 H GLU A 36 3.765 -18.362 -17.023 1.00 23.25 H new ATOM 0 HA GLU A 36 2.493 -20.611 -15.829 1.00 74.31 H new ATOM 0 HB2 GLU A 36 4.371 -21.751 -17.061 1.00 62.03 H new ATOM 0 HB3 GLU A 36 5.513 -20.770 -16.164 1.00 62.03 H new ATOM 0 HG2 GLU A 36 4.693 -21.748 -14.039 1.00 73.33 H new ATOM 0 HG3 GLU A 36 3.537 -22.720 -14.928 1.00 73.33 H new ATOM 550 N GLU A 37 3.021 -19.547 -13.649 1.00 41.41 N ATOM 551 CA GLU A 37 3.206 -18.809 -12.405 1.00 22.33 C ATOM 552 C GLU A 37 3.838 -19.696 -11.336 1.00 34.44 C ATOM 553 O GLU A 37 3.795 -20.923 -11.427 1.00 52.22 O ATOM 554 CB GLU A 37 1.867 -18.264 -11.905 1.00 33.21 C ATOM 555 CG GLU A 37 0.863 -19.348 -11.548 1.00 63.14 C ATOM 556 CD GLU A 37 -0.237 -18.847 -10.633 1.00 42.52 C ATOM 557 OE1 GLU A 37 -0.761 -17.742 -10.885 1.00 54.23 O ATOM 558 OE2 GLU A 37 -0.573 -19.560 -9.665 1.00 11.33 O ATOM 0 H GLU A 37 2.282 -20.250 -13.617 1.00 41.41 H new ATOM 0 HA GLU A 37 3.878 -17.974 -12.604 1.00 22.33 H new ATOM 0 HB2 GLU A 37 2.043 -17.641 -11.028 1.00 33.21 H new ATOM 0 HB3 GLU A 37 1.437 -17.621 -12.673 1.00 33.21 H new ATOM 0 HG2 GLU A 37 0.419 -19.741 -12.462 1.00 63.14 H new ATOM 0 HG3 GLU A 37 1.383 -20.175 -11.065 1.00 63.14 H new ATOM 565 N MET A 38 4.424 -19.066 -10.323 1.00 33.32 N ATOM 566 CA MET A 38 5.064 -19.798 -9.236 1.00 14.14 C ATOM 567 C MET A 38 4.182 -19.802 -7.991 1.00 22.53 C ATOM 568 O MET A 38 3.043 -19.339 -8.025 1.00 10.22 O ATOM 569 CB MET A 38 6.425 -19.181 -8.909 1.00 12.32 C ATOM 570 CG MET A 38 6.391 -17.666 -8.786 1.00 4.04 C ATOM 571 SD MET A 38 6.876 -16.834 -10.310 1.00 61.22 S ATOM 572 CE MET A 38 8.638 -16.646 -10.048 1.00 30.31 C ATOM 0 H MET A 38 4.469 -18.051 -10.232 1.00 33.32 H new ATOM 0 HA MET A 38 5.209 -20.828 -9.561 1.00 14.14 H new ATOM 0 HB2 MET A 38 6.792 -19.605 -7.974 1.00 12.32 H new ATOM 0 HB3 MET A 38 7.137 -19.458 -9.686 1.00 12.32 H new ATOM 0 HG2 MET A 38 5.385 -17.350 -8.509 1.00 4.04 H new ATOM 0 HG3 MET A 38 7.056 -17.356 -7.980 1.00 4.04 H new ATOM 0 HE1 MET A 38 9.141 -16.556 -11.011 1.00 30.31 H new ATOM 0 HE2 MET A 38 8.824 -15.750 -9.456 1.00 30.31 H new ATOM 0 HE3 MET A 38 9.022 -17.517 -9.518 1.00 30.31 H new ATOM 648 N GLY A 44 11.484 -18.082 -10.230 1.00 31.41 N ATOM 649 CA GLY A 44 10.972 -18.684 -11.447 1.00 52.13 C ATOM 650 C GLY A 44 12.077 -19.166 -12.365 1.00 64.41 C ATOM 651 O GLY A 44 12.893 -20.004 -11.979 1.00 64.12 O ATOM 0 HA2 GLY A 44 10.326 -19.523 -11.189 1.00 52.13 H new ATOM 0 HA3 GLY A 44 10.355 -17.958 -11.976 1.00 52.13 H new ATOM 655 N HIS A 45 12.105 -18.639 -13.585 1.00 14.42 N ATOM 656 CA HIS A 45 13.118 -19.022 -14.561 1.00 42.42 C ATOM 657 C HIS A 45 14.223 -17.972 -14.638 1.00 20.24 C ATOM 658 O HIS A 45 15.373 -18.242 -14.291 1.00 0.31 O ATOM 659 CB HIS A 45 12.483 -19.212 -15.939 1.00 42.31 C ATOM 660 CG HIS A 45 12.705 -20.575 -16.518 1.00 64.00 C ATOM 661 ND1 HIS A 45 12.319 -21.735 -15.881 1.00 23.42 N ATOM 662 CD2 HIS A 45 13.276 -20.960 -17.684 1.00 2.35 C ATOM 663 CE1 HIS A 45 12.645 -22.775 -16.628 1.00 54.25 C ATOM 664 NE2 HIS A 45 13.226 -22.331 -17.728 1.00 63.23 N ATOM 0 H HIS A 45 11.437 -17.945 -13.921 1.00 14.42 H new ATOM 0 HA HIS A 45 13.559 -19.965 -14.239 1.00 42.42 H new ATOM 0 HB2 HIS A 45 11.411 -19.028 -15.864 1.00 42.31 H new ATOM 0 HB3 HIS A 45 12.888 -18.466 -16.622 1.00 42.31 H new ATOM 0 HD2 HIS A 45 13.693 -20.310 -18.439 1.00 2.35 H new ATOM 0 HE1 HIS A 45 12.467 -23.811 -16.381 1.00 54.25 H new ATOM 0 HE2 HIS A 45 13.580 -22.913 -18.487 1.00 63.23 H new ATOM 672 N TRP A 46 13.866 -16.777 -15.094 1.00 22.12 N ATOM 673 CA TRP A 46 14.828 -15.688 -15.216 1.00 42.44 C ATOM 674 C TRP A 46 15.427 -15.335 -13.859 1.00 64.43 C ATOM 675 O TRP A 46 14.724 -15.303 -12.849 1.00 63.45 O ATOM 676 CB TRP A 46 14.159 -14.455 -15.828 1.00 21.54 C ATOM 677 CG TRP A 46 13.522 -14.724 -17.157 1.00 50.25 C ATOM 678 CD1 TRP A 46 14.124 -15.253 -18.263 1.00 44.21 C ATOM 679 CD2 TRP A 46 12.160 -14.474 -17.521 1.00 71.20 C ATOM 680 NE1 TRP A 46 13.219 -15.347 -19.292 1.00 52.12 N ATOM 681 CE2 TRP A 46 12.006 -14.877 -18.862 1.00 43.42 C ATOM 682 CE3 TRP A 46 11.055 -13.952 -16.844 1.00 13.11 C ATOM 683 CZ2 TRP A 46 10.793 -14.771 -19.536 1.00 53.14 C ATOM 684 CZ3 TRP A 46 9.851 -13.847 -17.515 1.00 20.45 C ATOM 685 CH2 TRP A 46 9.727 -14.256 -18.849 1.00 43.11 C ATOM 0 H TRP A 46 12.918 -16.538 -15.385 1.00 22.12 H new ATOM 0 HA TRP A 46 15.633 -16.020 -15.872 1.00 42.44 H new ATOM 0 HB2 TRP A 46 13.401 -14.082 -15.139 1.00 21.54 H new ATOM 0 HB3 TRP A 46 14.902 -13.666 -15.942 1.00 21.54 H new ATOM 0 HD1 TRP A 46 15.160 -15.553 -18.320 1.00 44.21 H new ATOM 0 HE1 TRP A 46 13.418 -15.708 -20.225 1.00 52.12 H new ATOM 0 HE3 TRP A 46 11.140 -13.636 -15.815 1.00 13.11 H new ATOM 0 HZ2 TRP A 46 10.696 -15.084 -20.565 1.00 53.14 H new ATOM 0 HZ3 TRP A 46 8.991 -13.443 -17.002 1.00 20.45 H new ATOM 0 HH2 TRP A 46 8.772 -14.163 -19.345 1.00 43.11 H new ATOM 696 N SER A 47 16.730 -15.071 -13.843 1.00 20.31 N ATOM 697 CA SER A 47 17.424 -14.725 -12.608 1.00 42.32 C ATOM 698 C SER A 47 18.435 -13.608 -12.849 1.00 0.54 C ATOM 699 O SER A 47 19.407 -13.783 -13.583 1.00 43.22 O ATOM 700 CB SER A 47 18.132 -15.953 -12.034 1.00 31.41 C ATOM 701 OG SER A 47 19.127 -16.431 -12.923 1.00 12.11 O ATOM 0 H SER A 47 17.326 -15.090 -14.671 1.00 20.31 H new ATOM 0 HA SER A 47 16.683 -14.374 -11.890 1.00 42.32 H new ATOM 0 HB2 SER A 47 18.587 -15.700 -11.076 1.00 31.41 H new ATOM 0 HB3 SER A 47 17.403 -16.740 -11.842 1.00 31.41 H new ATOM 0 HG SER A 47 19.517 -15.677 -13.413 1.00 12.11 H new ATOM 707 N ARG A 48 18.198 -12.459 -12.224 1.00 15.21 N ATOM 708 CA ARG A 48 19.086 -11.312 -12.370 1.00 54.21 C ATOM 709 C ARG A 48 18.971 -10.379 -11.168 1.00 24.22 C ATOM 710 O ARG A 48 17.945 -10.349 -10.489 1.00 1.45 O ATOM 711 CB ARG A 48 18.759 -10.548 -13.655 1.00 3.34 C ATOM 712 CG ARG A 48 19.989 -10.045 -14.393 1.00 10.30 C ATOM 713 CD ARG A 48 20.451 -8.700 -13.854 1.00 2.01 C ATOM 714 NE ARG A 48 21.877 -8.698 -13.536 1.00 35.52 N ATOM 715 CZ ARG A 48 22.834 -8.645 -14.454 1.00 65.15 C ATOM 716 NH1 ARG A 48 22.521 -8.589 -15.741 1.00 50.35 N ATOM 717 NH2 ARG A 48 24.109 -8.647 -14.086 1.00 63.53 N ATOM 0 H ARG A 48 17.398 -12.298 -11.612 1.00 15.21 H new ATOM 0 HA ARG A 48 20.110 -11.681 -12.425 1.00 54.21 H new ATOM 0 HB2 ARG A 48 18.188 -11.197 -14.318 1.00 3.34 H new ATOM 0 HB3 ARG A 48 18.120 -9.700 -13.411 1.00 3.34 H new ATOM 0 HG2 ARG A 48 20.795 -10.773 -14.297 1.00 10.30 H new ATOM 0 HG3 ARG A 48 19.765 -9.955 -15.456 1.00 10.30 H new ATOM 0 HD2 ARG A 48 20.243 -7.924 -14.590 1.00 2.01 H new ATOM 0 HD3 ARG A 48 19.880 -8.452 -12.959 1.00 2.01 H new ATOM 0 HE ARG A 48 22.152 -8.740 -12.555 1.00 35.52 H new ATOM 0 HH11 ARG A 48 21.542 -8.587 -16.028 1.00 50.35 H new ATOM 0 HH12 ARG A 48 23.259 -8.548 -16.444 1.00 50.35 H new ATOM 0 HH21 ARG A 48 24.354 -8.689 -13.097 1.00 63.53 H new ATOM 0 HH22 ARG A 48 24.844 -8.606 -14.792 1.00 63.53 H new ATOM 731 N ASP A 49 20.032 -9.621 -10.911 1.00 74.11 N ATOM 732 CA ASP A 49 20.051 -8.687 -9.791 1.00 74.03 C ATOM 733 C ASP A 49 20.828 -7.424 -10.150 1.00 72.31 C ATOM 734 O ASP A 49 22.051 -7.455 -10.287 1.00 42.30 O ATOM 735 CB ASP A 49 20.669 -9.348 -8.558 1.00 72.24 C ATOM 736 CG ASP A 49 19.703 -9.416 -7.392 1.00 75.01 C ATOM 737 OD1 ASP A 49 19.293 -8.345 -6.897 1.00 40.34 O ATOM 738 OD2 ASP A 49 19.355 -10.540 -6.975 1.00 22.34 O ATOM 0 H ASP A 49 20.890 -9.635 -11.463 1.00 74.11 H new ATOM 0 HA ASP A 49 19.022 -8.407 -9.566 1.00 74.03 H new ATOM 0 HB2 ASP A 49 20.995 -10.356 -8.815 1.00 72.24 H new ATOM 0 HB3 ASP A 49 21.557 -8.792 -8.258 1.00 72.24 H new ATOM 743 N ILE A 50 20.110 -6.317 -10.302 1.00 14.22 N ATOM 744 CA ILE A 50 20.732 -5.044 -10.645 1.00 21.23 C ATOM 745 C ILE A 50 21.068 -4.242 -9.392 1.00 42.44 C ATOM 746 O ILE A 50 20.204 -3.990 -8.552 1.00 3.14 O ATOM 747 CB ILE A 50 19.821 -4.198 -11.554 1.00 33.54 C ATOM 748 CG1 ILE A 50 19.287 -5.047 -12.709 1.00 60.33 C ATOM 749 CG2 ILE A 50 20.576 -2.988 -12.083 1.00 21.54 C ATOM 750 CD1 ILE A 50 20.340 -5.399 -13.737 1.00 53.22 C ATOM 0 H ILE A 50 19.097 -6.276 -10.193 1.00 14.22 H new ATOM 0 HA ILE A 50 21.651 -5.277 -11.183 1.00 21.23 H new ATOM 0 HB ILE A 50 18.974 -3.844 -10.966 1.00 33.54 H new ATOM 0 HG12 ILE A 50 18.861 -5.966 -12.307 1.00 60.33 H new ATOM 0 HG13 ILE A 50 18.476 -4.509 -13.200 1.00 60.33 H new ATOM 0 HG21 ILE A 50 19.918 -2.400 -12.724 1.00 21.54 H new ATOM 0 HG22 ILE A 50 20.911 -2.374 -11.247 1.00 21.54 H new ATOM 0 HG23 ILE A 50 21.440 -3.321 -12.658 1.00 21.54 H new ATOM 0 HD11 ILE A 50 19.891 -6.002 -14.526 1.00 53.22 H new ATOM 0 HD12 ILE A 50 20.749 -4.485 -14.167 1.00 53.22 H new ATOM 0 HD13 ILE A 50 21.140 -5.965 -13.259 1.00 53.22 H new ATOM 762 N THR A 51 22.330 -3.840 -9.275 1.00 0.34 N ATOM 763 CA THR A 51 22.781 -3.065 -8.126 1.00 2.32 C ATOM 764 C THR A 51 23.125 -1.635 -8.528 1.00 32.03 C ATOM 765 O THR A 51 24.036 -1.024 -7.969 1.00 43.15 O ATOM 766 CB THR A 51 24.013 -3.709 -7.462 1.00 34.32 C ATOM 767 OG1 THR A 51 25.061 -3.868 -8.424 1.00 3.41 O ATOM 768 CG2 THR A 51 23.658 -5.062 -6.863 1.00 25.11 C ATOM 0 H THR A 51 23.057 -4.038 -9.962 1.00 0.34 H new ATOM 0 HA THR A 51 21.958 -3.051 -7.412 1.00 2.32 H new ATOM 0 HB THR A 51 24.353 -3.052 -6.661 1.00 34.32 H new ATOM 0 HG1 THR A 51 25.841 -4.276 -7.994 1.00 3.41 H new ATOM 0 HG21 THR A 51 24.543 -5.498 -6.400 1.00 25.11 H new ATOM 0 HG22 THR A 51 22.880 -4.934 -6.110 1.00 25.11 H new ATOM 0 HG23 THR A 51 23.296 -5.724 -7.649 1.00 25.11 H new ATOM 776 N LYS A 52 22.389 -1.106 -9.499 1.00 43.44 N ATOM 777 CA LYS A 52 22.614 0.254 -9.976 1.00 2.03 C ATOM 778 C LYS A 52 21.942 0.475 -11.327 1.00 14.43 C ATOM 779 O LYS A 52 22.077 -0.324 -12.253 1.00 33.30 O ATOM 780 CB LYS A 52 24.114 0.535 -10.089 1.00 3.22 C ATOM 781 CG LYS A 52 24.469 1.509 -11.199 1.00 15.41 C ATOM 782 CD LYS A 52 25.973 1.640 -11.367 1.00 60.13 C ATOM 783 CE LYS A 52 26.364 1.725 -12.835 1.00 24.53 C ATOM 784 NZ LYS A 52 27.640 1.008 -13.111 1.00 20.43 N ATOM 0 H LYS A 52 21.631 -1.598 -9.972 1.00 43.44 H new ATOM 0 HA LYS A 52 22.175 0.943 -9.254 1.00 2.03 H new ATOM 0 HB2 LYS A 52 24.473 0.933 -9.140 1.00 3.22 H new ATOM 0 HB3 LYS A 52 24.639 -0.405 -10.260 1.00 3.22 H new ATOM 0 HG2 LYS A 52 24.026 1.172 -12.136 1.00 15.41 H new ATOM 0 HG3 LYS A 52 24.040 2.486 -10.977 1.00 15.41 H new ATOM 0 HD2 LYS A 52 26.323 2.530 -10.844 1.00 60.13 H new ATOM 0 HD3 LYS A 52 26.468 0.785 -10.906 1.00 60.13 H new ATOM 0 HE2 LYS A 52 25.569 1.300 -13.448 1.00 24.53 H new ATOM 0 HE3 LYS A 52 26.465 2.771 -13.124 1.00 24.53 H new ATOM 0 HZ1 LYS A 52 27.872 1.089 -14.122 1.00 20.43 H new ATOM 0 HZ2 LYS A 52 28.404 1.429 -12.545 1.00 20.43 H new ATOM 0 HZ3 LYS A 52 27.536 0.004 -12.859 1.00 20.43 H new ATOM 798 N PRO A 53 21.200 1.587 -11.445 1.00 2.04 N ATOM 799 CA PRO A 53 20.494 1.940 -12.679 1.00 53.25 C ATOM 800 C PRO A 53 21.448 2.340 -13.799 1.00 43.33 C ATOM 801 O PRO A 53 22.668 2.275 -13.643 1.00 12.43 O ATOM 802 CB PRO A 53 19.627 3.132 -12.264 1.00 63.31 C ATOM 803 CG PRO A 53 20.340 3.731 -11.101 1.00 51.23 C ATOM 804 CD PRO A 53 20.995 2.585 -10.381 1.00 41.14 C ATOM 0 HA PRO A 53 19.925 1.100 -13.077 1.00 53.25 H new ATOM 0 HB2 PRO A 53 19.524 3.850 -13.078 1.00 63.31 H new ATOM 0 HB3 PRO A 53 18.621 2.814 -11.991 1.00 63.31 H new ATOM 0 HG2 PRO A 53 21.081 4.459 -11.431 1.00 51.23 H new ATOM 0 HG3 PRO A 53 19.645 4.257 -10.446 1.00 51.23 H new ATOM 0 HD2 PRO A 53 21.938 2.884 -9.923 1.00 41.14 H new ATOM 0 HD3 PRO A 53 20.362 2.197 -9.583 1.00 41.14 H new ATOM 812 N LYS A 54 20.886 2.755 -14.930 1.00 22.14 N ATOM 813 CA LYS A 54 21.687 3.168 -16.076 1.00 72.22 C ATOM 814 C LYS A 54 21.091 4.407 -16.738 1.00 24.43 C ATOM 815 O LYS A 54 21.818 5.275 -17.217 1.00 44.42 O ATOM 816 CB LYS A 54 21.782 2.029 -17.094 1.00 43.12 C ATOM 817 CG LYS A 54 20.587 1.092 -17.073 1.00 10.13 C ATOM 818 CD LYS A 54 20.083 0.798 -18.476 1.00 3.52 C ATOM 819 CE LYS A 54 20.407 -0.627 -18.897 1.00 52.33 C ATOM 820 NZ LYS A 54 21.798 -0.750 -19.415 1.00 12.05 N ATOM 0 H LYS A 54 19.878 2.814 -15.077 1.00 22.14 H new ATOM 0 HA LYS A 54 22.687 3.414 -15.719 1.00 72.22 H new ATOM 0 HB2 LYS A 54 21.882 2.453 -18.093 1.00 43.12 H new ATOM 0 HB3 LYS A 54 22.687 1.454 -16.899 1.00 43.12 H new ATOM 0 HG2 LYS A 54 20.864 0.159 -16.582 1.00 10.13 H new ATOM 0 HG3 LYS A 54 19.785 1.537 -16.483 1.00 10.13 H new ATOM 0 HD2 LYS A 54 19.005 0.954 -18.517 1.00 3.52 H new ATOM 0 HD3 LYS A 54 20.534 1.498 -19.180 1.00 3.52 H new ATOM 0 HE2 LYS A 54 20.276 -1.296 -18.046 1.00 52.33 H new ATOM 0 HE3 LYS A 54 19.704 -0.947 -19.666 1.00 52.33 H new ATOM 0 HZ1 LYS A 54 21.980 -1.736 -19.691 1.00 12.05 H new ATOM 0 HZ2 LYS A 54 21.916 -0.131 -20.242 1.00 12.05 H new ATOM 0 HZ3 LYS A 54 22.471 -0.469 -18.673 1.00 12.05 H new ATOM 834 N ASN A 55 19.765 4.481 -16.758 1.00 55.01 N ATOM 835 CA ASN A 55 19.072 5.615 -17.360 1.00 72.51 C ATOM 836 C ASN A 55 18.056 6.210 -16.389 1.00 65.52 C ATOM 837 O ASN A 55 16.967 6.620 -16.788 1.00 23.33 O ATOM 838 CB ASN A 55 18.370 5.184 -18.649 1.00 74.43 C ATOM 839 CG ASN A 55 19.184 5.507 -19.887 1.00 52.31 C ATOM 840 OD1 ASN A 55 20.348 5.124 -19.995 1.00 65.44 O ATOM 841 ND2 ASN A 55 18.572 6.217 -20.828 1.00 44.42 N ATOM 0 H ASN A 55 19.148 3.770 -16.365 1.00 55.01 H new ATOM 0 HA ASN A 55 19.813 6.379 -17.595 1.00 72.51 H new ATOM 0 HB2 ASN A 55 18.178 4.112 -18.614 1.00 74.43 H new ATOM 0 HB3 ASN A 55 17.401 5.679 -18.715 1.00 74.43 H new ATOM 0 HD21 ASN A 55 19.069 6.466 -21.683 1.00 44.42 H new ATOM 0 HD22 ASN A 55 17.605 6.513 -20.695 1.00 44.42 H new ATOM 848 N GLY A 56 18.423 6.254 -15.112 1.00 35.54 N ATOM 849 CA GLY A 56 17.533 6.800 -14.104 1.00 2.35 C ATOM 850 C GLY A 56 16.650 5.742 -13.474 1.00 74.42 C ATOM 851 O GLY A 56 16.230 5.877 -12.325 1.00 22.33 O ATOM 0 H GLY A 56 19.320 5.922 -14.758 1.00 35.54 H new ATOM 0 HA2 GLY A 56 18.124 7.285 -13.327 1.00 2.35 H new ATOM 0 HA3 GLY A 56 16.907 7.569 -14.555 1.00 2.35 H new ATOM 855 N ARG A 57 16.364 4.686 -14.229 1.00 65.33 N ATOM 856 CA ARG A 57 15.522 3.601 -13.739 1.00 43.24 C ATOM 857 C ARG A 57 16.236 2.259 -13.866 1.00 64.40 C ATOM 858 O ARG A 57 17.323 2.174 -14.439 1.00 11.15 O ATOM 859 CB ARG A 57 14.202 3.564 -14.511 1.00 62.55 C ATOM 860 CG ARG A 57 14.036 4.714 -15.491 1.00 3.03 C ATOM 861 CD ARG A 57 13.634 5.997 -14.780 1.00 74.21 C ATOM 862 NE ARG A 57 12.857 6.881 -15.645 1.00 32.12 N ATOM 863 CZ ARG A 57 13.400 7.688 -16.549 1.00 4.10 C ATOM 864 NH1 ARG A 57 14.716 7.722 -16.706 1.00 44.22 N ATOM 865 NH2 ARG A 57 12.627 8.463 -17.299 1.00 11.14 N ATOM 0 H ARG A 57 16.703 4.559 -15.183 1.00 65.33 H new ATOM 0 HA ARG A 57 15.314 3.783 -12.685 1.00 43.24 H new ATOM 0 HB2 ARG A 57 14.136 2.622 -15.055 1.00 62.55 H new ATOM 0 HB3 ARG A 57 13.375 3.581 -13.801 1.00 62.55 H new ATOM 0 HG2 ARG A 57 14.970 4.872 -16.030 1.00 3.03 H new ATOM 0 HG3 ARG A 57 13.280 4.455 -16.233 1.00 3.03 H new ATOM 0 HD2 ARG A 57 13.050 5.752 -13.893 1.00 74.21 H new ATOM 0 HD3 ARG A 57 14.529 6.518 -14.439 1.00 74.21 H new ATOM 0 HE ARG A 57 11.841 6.878 -15.549 1.00 32.12 H new ATOM 0 HH11 ARG A 57 15.314 7.127 -16.132 1.00 44.22 H new ATOM 0 HH12 ARG A 57 15.131 8.343 -17.401 1.00 44.22 H new ATOM 0 HH21 ARG A 57 11.614 8.439 -17.182 1.00 11.14 H new ATOM 0 HH22 ARG A 57 13.046 9.082 -17.993 1.00 11.14 H new ATOM 879 N TRP A 58 15.619 1.213 -13.328 1.00 10.31 N ATOM 880 CA TRP A 58 16.196 -0.125 -13.380 1.00 61.23 C ATOM 881 C TRP A 58 15.698 -0.885 -14.605 1.00 22.23 C ATOM 882 O TRP A 58 14.635 -1.506 -14.571 1.00 24.31 O ATOM 883 CB TRP A 58 15.852 -0.901 -12.108 1.00 72.51 C ATOM 884 CG TRP A 58 16.052 -0.105 -10.854 1.00 62.51 C ATOM 885 CD1 TRP A 58 15.229 0.866 -10.360 1.00 24.14 C ATOM 886 CD2 TRP A 58 17.147 -0.212 -9.937 1.00 52.23 C ATOM 887 NE1 TRP A 58 15.747 1.370 -9.191 1.00 34.25 N ATOM 888 CE2 TRP A 58 16.922 0.725 -8.909 1.00 72.34 C ATOM 889 CE3 TRP A 58 18.294 -1.008 -9.883 1.00 72.34 C ATOM 890 CZ2 TRP A 58 17.803 0.885 -7.843 1.00 54.21 C ATOM 891 CZ3 TRP A 58 19.167 -0.848 -8.825 1.00 1.44 C ATOM 892 CH2 TRP A 58 18.918 0.092 -7.816 1.00 14.32 C ATOM 0 H TRP A 58 14.719 1.266 -12.851 1.00 10.31 H new ATOM 0 HA TRP A 58 17.279 -0.024 -13.453 1.00 61.23 H new ATOM 0 HB2 TRP A 58 14.814 -1.228 -12.160 1.00 72.51 H new ATOM 0 HB3 TRP A 58 16.467 -1.799 -12.062 1.00 72.51 H new ATOM 0 HD1 TRP A 58 14.307 1.190 -10.820 1.00 24.14 H new ATOM 0 HE1 TRP A 58 15.325 2.106 -8.625 1.00 34.25 H new ATOM 0 HE3 TRP A 58 18.494 -1.736 -10.655 1.00 72.34 H new ATOM 0 HZ2 TRP A 58 17.613 1.609 -7.065 1.00 54.21 H new ATOM 0 HZ3 TRP A 58 20.057 -1.458 -8.774 1.00 1.44 H new ATOM 0 HH2 TRP A 58 19.620 0.193 -7.001 1.00 14.32 H new ATOM 903 N ILE A 59 16.472 -0.832 -15.684 1.00 32.13 N ATOM 904 CA ILE A 59 16.109 -1.517 -16.918 1.00 35.11 C ATOM 905 C ILE A 59 16.829 -2.856 -17.036 1.00 43.32 C ATOM 906 O ILE A 59 18.000 -2.977 -16.675 1.00 0.21 O ATOM 907 CB ILE A 59 16.435 -0.660 -18.155 1.00 4.21 C ATOM 908 CG1 ILE A 59 15.751 0.705 -18.052 1.00 21.21 C ATOM 909 CG2 ILE A 59 16.007 -1.379 -19.426 1.00 4.54 C ATOM 910 CD1 ILE A 59 16.288 1.726 -19.030 1.00 63.44 C ATOM 0 H ILE A 59 17.354 -0.322 -15.728 1.00 32.13 H new ATOM 0 HA ILE A 59 15.033 -1.688 -16.879 1.00 35.11 H new ATOM 0 HB ILE A 59 17.513 -0.503 -18.196 1.00 4.21 H new ATOM 0 HG12 ILE A 59 14.681 0.580 -18.221 1.00 21.21 H new ATOM 0 HG13 ILE A 59 15.871 1.087 -17.038 1.00 21.21 H new ATOM 0 HG21 ILE A 59 16.244 -0.760 -20.291 1.00 4.54 H new ATOM 0 HG22 ILE A 59 16.537 -2.329 -19.503 1.00 4.54 H new ATOM 0 HG23 ILE A 59 14.933 -1.564 -19.395 1.00 4.54 H new ATOM 0 HD11 ILE A 59 15.757 2.669 -18.900 1.00 63.44 H new ATOM 0 HD12 ILE A 59 17.351 1.880 -18.848 1.00 63.44 H new ATOM 0 HD13 ILE A 59 16.143 1.366 -20.048 1.00 63.44 H new ATOM 922 N PHE A 60 16.123 -3.859 -17.546 1.00 54.13 N ATOM 923 CA PHE A 60 16.695 -5.190 -17.714 1.00 10.33 C ATOM 924 C PHE A 60 16.316 -5.778 -19.070 1.00 32.25 C ATOM 925 O PHE A 60 15.281 -5.433 -19.640 1.00 62.25 O ATOM 926 CB PHE A 60 16.221 -6.117 -16.592 1.00 42.52 C ATOM 927 CG PHE A 60 16.516 -7.567 -16.849 1.00 14.14 C ATOM 928 CD1 PHE A 60 17.812 -7.992 -17.090 1.00 21.12 C ATOM 929 CD2 PHE A 60 15.496 -8.505 -16.848 1.00 21.11 C ATOM 930 CE1 PHE A 60 18.085 -9.326 -17.327 1.00 5.02 C ATOM 931 CE2 PHE A 60 15.763 -9.841 -17.084 1.00 5.41 C ATOM 932 CZ PHE A 60 17.060 -10.251 -17.323 1.00 22.54 C ATOM 0 H PHE A 60 15.153 -3.776 -17.850 1.00 54.13 H new ATOM 0 HA PHE A 60 17.780 -5.101 -17.668 1.00 10.33 H new ATOM 0 HB2 PHE A 60 16.697 -5.817 -15.658 1.00 42.52 H new ATOM 0 HB3 PHE A 60 15.147 -5.991 -16.457 1.00 42.52 H new ATOM 0 HD1 PHE A 60 18.618 -7.273 -17.093 1.00 21.12 H new ATOM 0 HD2 PHE A 60 14.480 -8.189 -16.661 1.00 21.11 H new ATOM 0 HE1 PHE A 60 19.100 -9.645 -17.515 1.00 5.02 H new ATOM 0 HE2 PHE A 60 14.959 -10.562 -17.081 1.00 5.41 H new ATOM 0 HZ PHE A 60 17.272 -11.294 -17.507 1.00 22.54 H new ATOM 942 N ARG A 61 17.161 -6.668 -19.579 1.00 24.11 N ATOM 943 CA ARG A 61 16.917 -7.304 -20.868 1.00 52.40 C ATOM 944 C ARG A 61 17.387 -8.755 -20.856 1.00 74.33 C ATOM 945 O ARG A 61 18.459 -9.067 -20.339 1.00 4.12 O ATOM 946 CB ARG A 61 17.629 -6.535 -21.983 1.00 13.12 C ATOM 947 CG ARG A 61 19.106 -6.300 -21.713 1.00 61.54 C ATOM 948 CD ARG A 61 19.321 -5.131 -20.766 1.00 12.41 C ATOM 949 NE ARG A 61 20.627 -4.506 -20.955 1.00 3.12 N ATOM 950 CZ ARG A 61 20.912 -3.688 -21.962 1.00 10.10 C ATOM 951 NH1 ARG A 61 19.987 -3.397 -22.866 1.00 72.11 N ATOM 952 NH2 ARG A 61 22.124 -3.158 -22.066 1.00 23.50 N ATOM 0 H ARG A 61 18.021 -6.965 -19.118 1.00 24.11 H new ATOM 0 HA ARG A 61 15.843 -7.290 -21.054 1.00 52.40 H new ATOM 0 HB2 ARG A 61 17.522 -7.085 -22.918 1.00 13.12 H new ATOM 0 HB3 ARG A 61 17.136 -5.573 -22.121 1.00 13.12 H new ATOM 0 HG2 ARG A 61 19.547 -7.201 -21.286 1.00 61.54 H new ATOM 0 HG3 ARG A 61 19.623 -6.107 -22.653 1.00 61.54 H new ATOM 0 HD2 ARG A 61 18.538 -4.389 -20.923 1.00 12.41 H new ATOM 0 HD3 ARG A 61 19.231 -5.477 -19.736 1.00 12.41 H new ATOM 0 HE ARG A 61 21.361 -4.709 -20.276 1.00 3.12 H new ATOM 0 HH11 ARG A 61 19.054 -3.802 -22.789 1.00 72.11 H new ATOM 0 HH12 ARG A 61 20.209 -2.769 -23.638 1.00 72.11 H new ATOM 0 HH21 ARG A 61 22.838 -3.379 -21.372 1.00 23.50 H new ATOM 0 HH22 ARG A 61 22.341 -2.530 -22.840 1.00 23.50 H new ATOM 966 N ASP A 62 16.576 -9.638 -21.429 1.00 64.43 N ATOM 967 CA ASP A 62 16.909 -11.057 -21.486 1.00 31.25 C ATOM 968 C ASP A 62 17.206 -11.489 -22.918 1.00 63.20 C ATOM 969 O ASP A 62 17.123 -10.688 -23.849 1.00 13.44 O ATOM 970 CB ASP A 62 15.763 -11.894 -20.915 1.00 23.34 C ATOM 971 CG ASP A 62 16.047 -12.381 -19.507 1.00 43.21 C ATOM 972 OD1 ASP A 62 17.169 -12.873 -19.265 1.00 1.31 O ATOM 973 OD2 ASP A 62 15.147 -12.270 -18.648 1.00 25.32 O ATOM 0 H ASP A 62 15.684 -9.396 -21.860 1.00 64.43 H new ATOM 0 HA ASP A 62 17.803 -11.220 -20.884 1.00 31.25 H new ATOM 0 HB2 ASP A 62 14.849 -11.300 -20.913 1.00 23.34 H new ATOM 0 HB3 ASP A 62 15.585 -12.751 -21.564 1.00 23.34 H new ATOM 978 N ARG A 63 17.555 -12.761 -23.087 1.00 13.40 N ATOM 979 CA ARG A 63 17.867 -13.298 -24.406 1.00 31.54 C ATOM 980 C ARG A 63 17.314 -14.712 -24.561 1.00 22.32 C ATOM 981 O ARG A 63 17.637 -15.414 -25.518 1.00 44.23 O ATOM 982 CB ARG A 63 19.380 -13.303 -24.633 1.00 13.11 C ATOM 983 CG ARG A 63 19.896 -12.051 -25.323 1.00 54.20 C ATOM 984 CD ARG A 63 21.194 -11.565 -24.698 1.00 61.22 C ATOM 985 NE ARG A 63 22.258 -11.422 -25.688 1.00 61.23 N ATOM 986 CZ ARG A 63 23.325 -10.650 -25.515 1.00 14.43 C ATOM 987 NH1 ARG A 63 23.468 -9.954 -24.395 1.00 25.41 N ATOM 988 NH2 ARG A 63 24.250 -10.572 -26.462 1.00 43.22 N ATOM 0 H ARG A 63 17.629 -13.438 -22.327 1.00 13.40 H new ATOM 0 HA ARG A 63 17.397 -12.658 -25.152 1.00 31.54 H new ATOM 0 HB2 ARG A 63 19.883 -13.411 -23.672 1.00 13.11 H new ATOM 0 HB3 ARG A 63 19.646 -14.174 -25.232 1.00 13.11 H new ATOM 0 HG2 ARG A 63 20.055 -12.257 -26.381 1.00 54.20 H new ATOM 0 HG3 ARG A 63 19.144 -11.264 -25.261 1.00 54.20 H new ATOM 0 HD2 ARG A 63 21.024 -10.606 -24.208 1.00 61.22 H new ATOM 0 HD3 ARG A 63 21.509 -12.266 -23.926 1.00 61.22 H new ATOM 0 HE ARG A 63 22.177 -11.944 -26.561 1.00 61.23 H new ATOM 0 HH11 ARG A 63 22.758 -10.011 -23.665 1.00 25.41 H new ATOM 0 HH12 ARG A 63 24.288 -9.362 -24.264 1.00 25.41 H new ATOM 0 HH21 ARG A 63 24.143 -11.105 -27.325 1.00 43.22 H new ATOM 0 HH22 ARG A 63 25.069 -9.979 -26.328 1.00 43.22 H new ATOM 1002 N ASN A 64 16.480 -15.123 -23.612 1.00 34.43 N ATOM 1003 CA ASN A 64 15.883 -16.454 -23.642 1.00 52.34 C ATOM 1004 C ASN A 64 14.362 -16.370 -23.557 1.00 12.21 C ATOM 1005 O ASN A 64 13.680 -17.387 -23.432 1.00 0.53 O ATOM 1006 CB ASN A 64 16.423 -17.305 -22.491 1.00 43.45 C ATOM 1007 CG ASN A 64 15.985 -16.787 -21.135 1.00 23.42 C ATOM 1008 OD1 ASN A 64 14.914 -17.139 -20.640 1.00 62.42 O ATOM 1009 ND2 ASN A 64 16.814 -15.947 -20.526 1.00 41.04 N ATOM 0 H ASN A 64 16.202 -14.554 -22.812 1.00 34.43 H new ATOM 0 HA ASN A 64 16.151 -16.923 -24.588 1.00 52.34 H new ATOM 0 HB2 ASN A 64 16.082 -18.333 -22.612 1.00 43.45 H new ATOM 0 HB3 ASN A 64 17.512 -17.323 -22.536 1.00 43.45 H new ATOM 0 HD21 ASN A 64 16.573 -15.566 -19.611 1.00 41.04 H new ATOM 0 HD22 ASN A 64 17.692 -15.682 -20.973 1.00 41.04 H new ATOM 1016 N ALA A 65 13.837 -15.151 -23.626 1.00 42.30 N ATOM 1017 CA ALA A 65 12.397 -14.934 -23.559 1.00 43.22 C ATOM 1018 C ALA A 65 11.789 -14.850 -24.955 1.00 44.22 C ATOM 1019 O ALA A 65 11.908 -13.830 -25.633 1.00 54.15 O ATOM 1020 CB ALA A 65 12.090 -13.669 -22.771 1.00 21.33 C ATOM 0 H ALA A 65 14.388 -14.298 -23.728 1.00 42.30 H new ATOM 0 HA ALA A 65 11.950 -15.786 -23.047 1.00 43.22 H new ATOM 0 HB1 ALA A 65 11.011 -13.519 -22.729 1.00 21.33 H new ATOM 0 HB2 ALA A 65 12.482 -13.767 -21.759 1.00 21.33 H new ATOM 0 HB3 ALA A 65 12.556 -12.814 -23.260 1.00 21.33 H new ATOM 1026 N ALA A 66 11.139 -15.929 -25.378 1.00 44.14 N ATOM 1027 CA ALA A 66 10.512 -15.976 -26.693 1.00 70.22 C ATOM 1028 C ALA A 66 9.003 -15.783 -26.589 1.00 0.33 C ATOM 1029 O ALA A 66 8.245 -16.752 -26.535 1.00 13.13 O ATOM 1030 CB ALA A 66 10.831 -17.294 -27.383 1.00 35.41 C ATOM 0 H ALA A 66 11.033 -16.782 -24.829 1.00 44.14 H new ATOM 0 HA ALA A 66 10.916 -15.159 -27.290 1.00 70.22 H new ATOM 0 HB1 ALA A 66 10.356 -17.315 -28.364 1.00 35.41 H new ATOM 0 HB2 ALA A 66 11.910 -17.392 -27.500 1.00 35.41 H new ATOM 0 HB3 ALA A 66 10.455 -18.121 -26.780 1.00 35.41 H new ATOM 1036 N LEU A 67 8.573 -14.526 -26.560 1.00 21.12 N ATOM 1037 CA LEU A 67 7.153 -14.205 -26.461 1.00 24.30 C ATOM 1038 C LEU A 67 6.792 -13.044 -27.382 1.00 3.15 C ATOM 1039 O LEU A 67 7.668 -12.396 -27.955 1.00 62.55 O ATOM 1040 CB LEU A 67 6.788 -13.859 -25.017 1.00 1.34 C ATOM 1041 CG LEU A 67 7.191 -12.463 -24.539 1.00 31.23 C ATOM 1042 CD1 LEU A 67 8.662 -12.204 -24.826 1.00 74.33 C ATOM 1043 CD2 LEU A 67 6.322 -11.402 -25.198 1.00 32.21 C ATOM 0 H LEU A 67 9.187 -13.713 -26.604 1.00 21.12 H new ATOM 0 HA LEU A 67 6.585 -15.081 -26.772 1.00 24.30 H new ATOM 0 HB2 LEU A 67 5.709 -13.964 -24.901 1.00 1.34 H new ATOM 0 HB3 LEU A 67 7.252 -14.594 -24.360 1.00 1.34 H new ATOM 0 HG LEU A 67 7.038 -12.411 -23.461 1.00 31.23 H new ATOM 0 HD11 LEU A 67 8.930 -11.206 -24.479 1.00 74.33 H new ATOM 0 HD12 LEU A 67 9.270 -12.945 -24.306 1.00 74.33 H new ATOM 0 HD13 LEU A 67 8.841 -12.275 -25.899 1.00 74.33 H new ATOM 0 HD21 LEU A 67 6.623 -10.415 -24.846 1.00 32.21 H new ATOM 0 HD22 LEU A 67 6.442 -11.454 -26.280 1.00 32.21 H new ATOM 0 HD23 LEU A 67 5.277 -11.576 -24.940 1.00 32.21 H new ATOM 1055 N LYS A 68 5.496 -12.784 -27.517 1.00 3.35 N ATOM 1056 CA LYS A 68 5.018 -11.698 -28.364 1.00 74.11 C ATOM 1057 C LYS A 68 3.628 -11.242 -27.931 1.00 71.11 C ATOM 1058 O LYS A 68 2.941 -11.939 -27.184 1.00 33.10 O ATOM 1059 CB LYS A 68 4.987 -12.142 -29.828 1.00 70.23 C ATOM 1060 CG LYS A 68 4.350 -13.505 -30.037 1.00 71.13 C ATOM 1061 CD LYS A 68 5.397 -14.602 -30.130 1.00 22.00 C ATOM 1062 CE LYS A 68 5.423 -15.232 -31.514 1.00 21.41 C ATOM 1063 NZ LYS A 68 6.518 -14.676 -32.356 1.00 71.24 N ATOM 0 H LYS A 68 4.758 -13.311 -27.050 1.00 3.35 H new ATOM 0 HA LYS A 68 5.706 -10.859 -28.259 1.00 74.11 H new ATOM 0 HB2 LYS A 68 4.440 -11.401 -30.412 1.00 70.23 H new ATOM 0 HB3 LYS A 68 6.006 -12.164 -30.214 1.00 70.23 H new ATOM 0 HG2 LYS A 68 3.669 -13.720 -29.213 1.00 71.13 H new ATOM 0 HG3 LYS A 68 3.753 -13.493 -30.949 1.00 71.13 H new ATOM 0 HD2 LYS A 68 6.379 -14.190 -29.898 1.00 22.00 H new ATOM 0 HD3 LYS A 68 5.189 -15.369 -29.384 1.00 22.00 H new ATOM 0 HE2 LYS A 68 5.549 -16.311 -31.420 1.00 21.41 H new ATOM 0 HE3 LYS A 68 4.465 -15.065 -32.007 1.00 21.41 H new ATOM 0 HZ1 LYS A 68 6.502 -15.131 -33.291 1.00 71.24 H new ATOM 0 HZ2 LYS A 68 6.384 -13.651 -32.467 1.00 71.24 H new ATOM 0 HZ3 LYS A 68 7.434 -14.858 -31.898 1.00 71.24 H new ATOM 1077 N ILE A 69 3.220 -10.070 -28.406 1.00 3.13 N ATOM 1078 CA ILE A 69 1.912 -9.523 -28.069 1.00 73.31 C ATOM 1079 C ILE A 69 0.882 -10.634 -27.887 1.00 5.31 C ATOM 1080 O ILE A 69 0.653 -11.436 -28.791 1.00 12.02 O ATOM 1081 CB ILE A 69 1.413 -8.549 -29.153 1.00 32.14 C ATOM 1082 CG1 ILE A 69 2.304 -7.306 -29.201 1.00 72.10 C ATOM 1083 CG2 ILE A 69 -0.034 -8.160 -28.890 1.00 33.34 C ATOM 1084 CD1 ILE A 69 2.171 -6.420 -27.983 1.00 12.53 C ATOM 0 H ILE A 69 3.777 -9.481 -29.025 1.00 3.13 H new ATOM 0 HA ILE A 69 2.029 -8.981 -27.131 1.00 73.31 H new ATOM 0 HB ILE A 69 1.464 -9.048 -30.121 1.00 32.14 H new ATOM 0 HG12 ILE A 69 3.344 -7.618 -29.302 1.00 72.10 H new ATOM 0 HG13 ILE A 69 2.058 -6.726 -30.091 1.00 72.10 H new ATOM 0 HG21 ILE A 69 -0.372 -7.471 -29.664 1.00 33.34 H new ATOM 0 HG22 ILE A 69 -0.659 -9.053 -28.901 1.00 33.34 H new ATOM 0 HG23 ILE A 69 -0.109 -7.676 -27.916 1.00 33.34 H new ATOM 0 HD11 ILE A 69 2.831 -5.559 -28.086 1.00 12.53 H new ATOM 0 HD12 ILE A 69 1.140 -6.078 -27.893 1.00 12.53 H new ATOM 0 HD13 ILE A 69 2.446 -6.983 -27.091 1.00 12.53 H new ATOM 1096 N GLY A 70 0.264 -10.672 -26.711 1.00 35.53 N ATOM 1097 CA GLY A 70 -0.736 -11.687 -26.431 1.00 63.24 C ATOM 1098 C GLY A 70 -0.334 -12.598 -25.288 1.00 44.41 C ATOM 1099 O GLY A 70 -1.188 -13.122 -24.574 1.00 22.45 O ATOM 0 H GLY A 70 0.437 -10.019 -25.947 1.00 35.53 H new ATOM 0 HA2 GLY A 70 -1.683 -11.203 -26.190 1.00 63.24 H new ATOM 0 HA3 GLY A 70 -0.903 -12.285 -27.327 1.00 63.24 H new ATOM 1103 N ASP A 71 0.970 -12.787 -25.115 1.00 72.23 N ATOM 1104 CA ASP A 71 1.484 -13.641 -24.051 1.00 32.40 C ATOM 1105 C ASP A 71 1.119 -13.080 -22.680 1.00 64.21 C ATOM 1106 O ASP A 71 0.421 -12.072 -22.575 1.00 52.25 O ATOM 1107 CB ASP A 71 3.002 -13.784 -24.170 1.00 50.34 C ATOM 1108 CG ASP A 71 3.408 -15.006 -24.970 1.00 33.44 C ATOM 1109 OD1 ASP A 71 3.359 -14.943 -26.216 1.00 22.13 O ATOM 1110 OD2 ASP A 71 3.773 -16.027 -24.349 1.00 40.00 O ATOM 0 H ASP A 71 1.690 -12.360 -25.698 1.00 72.23 H new ATOM 0 HA ASP A 71 1.026 -14.624 -24.155 1.00 32.40 H new ATOM 0 HB2 ASP A 71 3.412 -12.891 -24.643 1.00 50.34 H new ATOM 0 HB3 ASP A 71 3.437 -13.845 -23.173 1.00 50.34 H new ATOM 1115 N LYS A 72 1.596 -13.741 -21.630 1.00 42.33 N ATOM 1116 CA LYS A 72 1.322 -13.309 -20.265 1.00 14.00 C ATOM 1117 C LYS A 72 2.531 -13.546 -19.366 1.00 34.43 C ATOM 1118 O LYS A 72 3.486 -14.216 -19.759 1.00 62.10 O ATOM 1119 CB LYS A 72 0.105 -14.052 -19.708 1.00 51.22 C ATOM 1120 CG LYS A 72 -1.118 -13.168 -19.530 1.00 22.51 C ATOM 1121 CD LYS A 72 -2.400 -13.922 -19.840 1.00 72.14 C ATOM 1122 CE LYS A 72 -2.926 -13.580 -21.226 1.00 61.42 C ATOM 1123 NZ LYS A 72 -3.790 -14.663 -21.774 1.00 43.31 N ATOM 0 H LYS A 72 2.174 -14.578 -21.699 1.00 42.33 H new ATOM 0 HA LYS A 72 1.110 -12.240 -20.284 1.00 14.00 H new ATOM 0 HB2 LYS A 72 -0.146 -14.875 -20.378 1.00 51.22 H new ATOM 0 HB3 LYS A 72 0.368 -14.493 -18.746 1.00 51.22 H new ATOM 0 HG2 LYS A 72 -1.153 -12.795 -18.506 1.00 22.51 H new ATOM 0 HG3 LYS A 72 -1.039 -12.299 -20.184 1.00 22.51 H new ATOM 0 HD2 LYS A 72 -2.218 -14.995 -19.773 1.00 72.14 H new ATOM 0 HD3 LYS A 72 -3.156 -13.680 -19.093 1.00 72.14 H new ATOM 0 HE2 LYS A 72 -3.494 -12.651 -21.180 1.00 61.42 H new ATOM 0 HE3 LYS A 72 -2.087 -13.408 -21.901 1.00 61.42 H new ATOM 0 HZ1 LYS A 72 -4.129 -14.392 -22.719 1.00 43.31 H new ATOM 0 HZ2 LYS A 72 -3.241 -15.544 -21.842 1.00 43.31 H new ATOM 0 HZ3 LYS A 72 -4.604 -14.810 -21.144 1.00 43.31 H new ATOM 1137 N ILE A 73 2.481 -12.995 -18.158 1.00 2.11 N ATOM 1138 CA ILE A 73 3.572 -13.150 -17.203 1.00 14.51 C ATOM 1139 C ILE A 73 3.049 -13.170 -15.771 1.00 10.25 C ATOM 1140 O ILE A 73 2.082 -12.483 -15.442 1.00 14.32 O ATOM 1141 CB ILE A 73 4.608 -12.019 -17.344 1.00 13.24 C ATOM 1142 CG1 ILE A 73 5.228 -12.037 -18.742 1.00 24.30 C ATOM 1143 CG2 ILE A 73 5.685 -12.152 -16.278 1.00 64.40 C ATOM 1144 CD1 ILE A 73 6.097 -10.834 -19.033 1.00 42.23 C ATOM 0 H ILE A 73 1.698 -12.438 -17.817 1.00 2.11 H new ATOM 0 HA ILE A 73 4.054 -14.102 -17.425 1.00 14.51 H new ATOM 0 HB ILE A 73 4.103 -11.063 -17.204 1.00 13.24 H new ATOM 0 HG12 ILE A 73 5.825 -12.942 -18.854 1.00 24.30 H new ATOM 0 HG13 ILE A 73 4.431 -12.087 -19.484 1.00 24.30 H new ATOM 0 HG21 ILE A 73 6.410 -11.346 -16.391 1.00 64.40 H new ATOM 0 HG22 ILE A 73 5.228 -12.094 -15.290 1.00 64.40 H new ATOM 0 HG23 ILE A 73 6.190 -13.112 -16.389 1.00 64.40 H new ATOM 0 HD11 ILE A 73 6.503 -10.914 -20.041 1.00 42.23 H new ATOM 0 HD12 ILE A 73 5.500 -9.926 -18.953 1.00 42.23 H new ATOM 0 HD13 ILE A 73 6.916 -10.794 -18.314 1.00 42.23 H new ATOM 1156 N TYR A 74 3.696 -13.960 -14.922 1.00 23.42 N ATOM 1157 CA TYR A 74 3.297 -14.071 -13.524 1.00 12.22 C ATOM 1158 C TYR A 74 4.505 -14.340 -12.632 1.00 32.23 C ATOM 1159 O TYR A 74 5.035 -15.451 -12.603 1.00 72.10 O ATOM 1160 CB TYR A 74 2.264 -15.186 -13.353 1.00 60.13 C ATOM 1161 CG TYR A 74 1.335 -15.337 -14.537 1.00 20.24 C ATOM 1162 CD1 TYR A 74 1.662 -16.171 -15.599 1.00 35.52 C ATOM 1163 CD2 TYR A 74 0.132 -14.645 -14.593 1.00 74.32 C ATOM 1164 CE1 TYR A 74 0.816 -16.312 -16.683 1.00 23.35 C ATOM 1165 CE2 TYR A 74 -0.720 -14.781 -15.672 1.00 74.10 C ATOM 1166 CZ TYR A 74 -0.374 -15.615 -16.714 1.00 64.42 C ATOM 1167 OH TYR A 74 -1.219 -15.752 -17.791 1.00 60.34 O ATOM 0 H TYR A 74 4.500 -14.534 -15.178 1.00 23.42 H new ATOM 0 HA TYR A 74 2.851 -13.123 -13.224 1.00 12.22 H new ATOM 0 HB2 TYR A 74 2.784 -16.129 -13.187 1.00 60.13 H new ATOM 0 HB3 TYR A 74 1.672 -14.987 -12.460 1.00 60.13 H new ATOM 0 HD1 TYR A 74 2.593 -16.718 -15.577 1.00 35.52 H new ATOM 0 HD2 TYR A 74 -0.142 -13.990 -13.779 1.00 74.32 H new ATOM 0 HE1 TYR A 74 1.085 -16.964 -17.501 1.00 23.35 H new ATOM 0 HE2 TYR A 74 -1.652 -14.237 -15.699 1.00 74.10 H new ATOM 0 HH TYR A 74 -2.103 -15.396 -17.561 1.00 60.34 H new ATOM 1177 N PHE A 75 4.935 -13.315 -11.904 1.00 12.12 N ATOM 1178 CA PHE A 75 6.080 -13.439 -11.010 1.00 43.01 C ATOM 1179 C PHE A 75 6.134 -12.271 -10.029 1.00 72.40 C ATOM 1180 O PHE A 75 5.136 -11.585 -9.810 1.00 52.45 O ATOM 1181 CB PHE A 75 7.379 -13.502 -11.817 1.00 10.32 C ATOM 1182 CG PHE A 75 7.780 -12.182 -12.411 1.00 53.04 C ATOM 1183 CD1 PHE A 75 6.946 -11.528 -13.305 1.00 25.13 C ATOM 1184 CD2 PHE A 75 8.989 -11.595 -12.077 1.00 2.14 C ATOM 1185 CE1 PHE A 75 7.313 -10.314 -13.854 1.00 23.01 C ATOM 1186 CE2 PHE A 75 9.361 -10.381 -12.622 1.00 43.33 C ATOM 1187 CZ PHE A 75 8.522 -9.739 -13.511 1.00 55.03 C ATOM 0 H PHE A 75 4.508 -12.389 -11.916 1.00 12.12 H new ATOM 0 HA PHE A 75 5.967 -14.362 -10.442 1.00 43.01 H new ATOM 0 HB2 PHE A 75 8.181 -13.860 -11.172 1.00 10.32 H new ATOM 0 HB3 PHE A 75 7.265 -14.232 -12.618 1.00 10.32 H new ATOM 0 HD1 PHE A 75 5.999 -11.972 -13.575 1.00 25.13 H new ATOM 0 HD2 PHE A 75 9.649 -12.092 -11.382 1.00 2.14 H new ATOM 0 HE1 PHE A 75 6.656 -9.815 -14.551 1.00 23.01 H new ATOM 0 HE2 PHE A 75 10.307 -9.935 -12.353 1.00 43.33 H new ATOM 0 HZ PHE A 75 8.810 -8.789 -13.937 1.00 55.03 H new ATOM 1197 N TRP A 76 7.305 -12.054 -9.441 1.00 75.11 N ATOM 1198 CA TRP A 76 7.489 -10.970 -8.483 1.00 33.34 C ATOM 1199 C TRP A 76 8.917 -10.439 -8.529 1.00 22.40 C ATOM 1200 O TRP A 76 9.841 -11.147 -8.931 1.00 22.41 O ATOM 1201 CB TRP A 76 7.155 -11.450 -7.069 1.00 4.00 C ATOM 1202 CG TRP A 76 6.982 -12.936 -6.971 1.00 41.53 C ATOM 1203 CD1 TRP A 76 7.956 -13.884 -7.097 1.00 63.32 C ATOM 1204 CD2 TRP A 76 5.760 -13.642 -6.729 1.00 44.30 C ATOM 1205 NE1 TRP A 76 7.414 -15.138 -6.948 1.00 13.11 N ATOM 1206 CE2 TRP A 76 6.068 -15.016 -6.720 1.00 65.22 C ATOM 1207 CE3 TRP A 76 4.437 -13.247 -6.517 1.00 11.24 C ATOM 1208 CZ2 TRP A 76 5.100 -15.994 -6.509 1.00 25.33 C ATOM 1209 CZ3 TRP A 76 3.477 -14.219 -6.307 1.00 43.21 C ATOM 1210 CH2 TRP A 76 3.813 -15.579 -6.304 1.00 33.35 C ATOM 0 H TRP A 76 8.141 -12.614 -9.611 1.00 75.11 H new ATOM 0 HA TRP A 76 6.812 -10.160 -8.754 1.00 33.34 H new ATOM 0 HB2 TRP A 76 7.949 -11.138 -6.390 1.00 4.00 H new ATOM 0 HB3 TRP A 76 6.240 -10.962 -6.734 1.00 4.00 H new ATOM 0 HD1 TRP A 76 8.999 -13.679 -7.286 1.00 63.32 H new ATOM 0 HE1 TRP A 76 7.930 -16.017 -6.999 1.00 13.11 H new ATOM 0 HE3 TRP A 76 4.169 -12.201 -6.517 1.00 11.24 H new ATOM 0 HZ2 TRP A 76 5.356 -17.043 -6.507 1.00 25.33 H new ATOM 0 HZ3 TRP A 76 2.451 -13.925 -6.143 1.00 43.21 H new ATOM 0 HH2 TRP A 76 3.040 -16.315 -6.136 1.00 33.35 H new ATOM 1221 N THR A 77 9.093 -9.188 -8.115 1.00 30.31 N ATOM 1222 CA THR A 77 10.409 -8.563 -8.110 1.00 42.53 C ATOM 1223 C THR A 77 10.768 -8.047 -6.721 1.00 61.23 C ATOM 1224 O THR A 77 9.897 -7.624 -5.961 1.00 41.10 O ATOM 1225 CB THR A 77 10.480 -7.395 -9.113 1.00 33.13 C ATOM 1226 OG1 THR A 77 9.277 -6.620 -9.048 1.00 24.15 O ATOM 1227 CG2 THR A 77 10.681 -7.910 -10.530 1.00 20.01 C ATOM 0 H THR A 77 8.340 -8.588 -7.779 1.00 30.31 H new ATOM 0 HA THR A 77 11.124 -9.331 -8.405 1.00 42.53 H new ATOM 0 HB THR A 77 11.331 -6.768 -8.847 1.00 33.13 H new ATOM 0 HG1 THR A 77 9.330 -5.879 -9.687 1.00 24.15 H new ATOM 0 HG21 THR A 77 10.728 -7.068 -11.220 1.00 20.01 H new ATOM 0 HG22 THR A 77 11.612 -8.475 -10.583 1.00 20.01 H new ATOM 0 HG23 THR A 77 9.848 -8.557 -10.804 1.00 20.01 H new ATOM 1235 N PHE A 78 12.056 -8.085 -6.396 1.00 10.12 N ATOM 1236 CA PHE A 78 12.530 -7.622 -5.097 1.00 42.50 C ATOM 1237 C PHE A 78 13.241 -6.278 -5.225 1.00 43.45 C ATOM 1238 O PHE A 78 13.822 -5.967 -6.266 1.00 10.45 O ATOM 1239 CB PHE A 78 13.474 -8.654 -4.477 1.00 44.31 C ATOM 1240 CG PHE A 78 13.114 -9.025 -3.067 1.00 5.42 C ATOM 1241 CD1 PHE A 78 12.061 -9.888 -2.811 1.00 4.24 C ATOM 1242 CD2 PHE A 78 13.829 -8.509 -1.997 1.00 60.42 C ATOM 1243 CE1 PHE A 78 11.728 -10.231 -1.514 1.00 32.40 C ATOM 1244 CE2 PHE A 78 13.500 -8.850 -0.699 1.00 4.33 C ATOM 1245 CZ PHE A 78 12.448 -9.711 -0.457 1.00 12.33 C ATOM 0 H PHE A 78 12.790 -8.431 -7.014 1.00 10.12 H new ATOM 0 HA PHE A 78 11.664 -7.495 -4.447 1.00 42.50 H new ATOM 0 HB2 PHE A 78 13.471 -9.553 -5.093 1.00 44.31 H new ATOM 0 HB3 PHE A 78 14.490 -8.260 -4.492 1.00 44.31 H new ATOM 0 HD1 PHE A 78 11.494 -10.297 -3.634 1.00 4.24 H new ATOM 0 HD2 PHE A 78 14.652 -7.834 -2.180 1.00 60.42 H new ATOM 0 HE1 PHE A 78 10.905 -10.905 -1.328 1.00 32.40 H new ATOM 0 HE2 PHE A 78 14.066 -8.443 0.126 1.00 4.33 H new ATOM 0 HZ PHE A 78 12.189 -9.977 0.557 1.00 12.33 H new ATOM 1255 N VAL A 79 13.191 -5.484 -4.160 1.00 53.14 N ATOM 1256 CA VAL A 79 13.830 -4.173 -4.152 1.00 71.45 C ATOM 1257 C VAL A 79 14.381 -3.839 -2.771 1.00 64.31 C ATOM 1258 O VAL A 79 14.097 -4.532 -1.794 1.00 32.42 O ATOM 1259 CB VAL A 79 12.848 -3.067 -4.582 1.00 71.44 C ATOM 1260 CG1 VAL A 79 13.103 -2.657 -6.025 1.00 24.24 C ATOM 1261 CG2 VAL A 79 11.411 -3.530 -4.398 1.00 34.42 C ATOM 0 H VAL A 79 12.714 -5.726 -3.291 1.00 53.14 H new ATOM 0 HA VAL A 79 14.652 -4.217 -4.867 1.00 71.45 H new ATOM 0 HB VAL A 79 13.010 -2.196 -3.948 1.00 71.44 H new ATOM 0 HG11 VAL A 79 12.400 -1.875 -6.311 1.00 24.24 H new ATOM 0 HG12 VAL A 79 14.122 -2.282 -6.122 1.00 24.24 H new ATOM 0 HG13 VAL A 79 12.970 -3.520 -6.677 1.00 24.24 H new ATOM 0 HG21 VAL A 79 10.731 -2.736 -4.707 1.00 34.42 H new ATOM 0 HG22 VAL A 79 11.234 -4.417 -5.006 1.00 34.42 H new ATOM 0 HG23 VAL A 79 11.237 -3.769 -3.349 1.00 34.42 H new ATOM 1271 N ILE A 80 15.171 -2.773 -2.697 1.00 62.44 N ATOM 1272 CA ILE A 80 15.761 -2.346 -1.435 1.00 25.41 C ATOM 1273 C ILE A 80 15.976 -0.837 -1.411 1.00 42.22 C ATOM 1274 O ILE A 80 16.986 -0.334 -1.905 1.00 31.11 O ATOM 1275 CB ILE A 80 17.107 -3.049 -1.176 1.00 63.24 C ATOM 1276 CG1 ILE A 80 16.899 -4.557 -1.024 1.00 71.44 C ATOM 1277 CG2 ILE A 80 17.776 -2.474 0.063 1.00 12.32 C ATOM 1278 CD1 ILE A 80 18.182 -5.324 -0.793 1.00 20.24 C ATOM 0 H ILE A 80 15.417 -2.189 -3.497 1.00 62.44 H new ATOM 0 HA ILE A 80 15.058 -2.623 -0.649 1.00 25.41 H new ATOM 0 HB ILE A 80 17.760 -2.876 -2.031 1.00 63.24 H new ATOM 0 HG12 ILE A 80 16.221 -4.740 -0.190 1.00 71.44 H new ATOM 0 HG13 ILE A 80 16.412 -4.941 -1.921 1.00 71.44 H new ATOM 0 HG21 ILE A 80 18.726 -2.981 0.232 1.00 12.32 H new ATOM 0 HG22 ILE A 80 17.954 -1.408 -0.081 1.00 12.32 H new ATOM 0 HG23 ILE A 80 17.128 -2.620 0.927 1.00 12.32 H new ATOM 0 HD11 ILE A 80 17.958 -6.386 -0.694 1.00 20.24 H new ATOM 0 HD12 ILE A 80 18.854 -5.172 -1.637 1.00 20.24 H new ATOM 0 HD13 ILE A 80 18.660 -4.968 0.120 1.00 20.24 H new ATOM 1290 N LYS A 81 15.021 -0.118 -0.832 1.00 54.13 N ATOM 1291 CA LYS A 81 15.105 1.335 -0.740 1.00 71.21 C ATOM 1292 C LYS A 81 15.284 1.779 0.708 1.00 31.32 C ATOM 1293 O LYS A 81 14.622 1.266 1.611 1.00 63.41 O ATOM 1294 CB LYS A 81 13.848 1.978 -1.330 1.00 35.31 C ATOM 1295 CG LYS A 81 13.602 3.395 -0.841 1.00 21.53 C ATOM 1296 CD LYS A 81 12.266 3.930 -1.329 1.00 64.50 C ATOM 1297 CE LYS A 81 11.798 5.109 -0.490 1.00 62.05 C ATOM 1298 NZ LYS A 81 10.415 4.909 0.025 1.00 65.10 N ATOM 0 H LYS A 81 14.179 -0.518 -0.419 1.00 54.13 H new ATOM 0 HA LYS A 81 15.974 1.660 -1.312 1.00 71.21 H new ATOM 0 HB2 LYS A 81 13.931 1.987 -2.417 1.00 35.31 H new ATOM 0 HB3 LYS A 81 12.984 1.362 -1.081 1.00 35.31 H new ATOM 0 HG2 LYS A 81 13.626 3.414 0.249 1.00 21.53 H new ATOM 0 HG3 LYS A 81 14.404 4.045 -1.189 1.00 21.53 H new ATOM 0 HD2 LYS A 81 12.354 4.236 -2.371 1.00 64.50 H new ATOM 0 HD3 LYS A 81 11.520 3.137 -1.292 1.00 64.50 H new ATOM 0 HE2 LYS A 81 12.480 5.252 0.348 1.00 62.05 H new ATOM 0 HE3 LYS A 81 11.834 6.019 -1.090 1.00 62.05 H new ATOM 0 HZ1 LYS A 81 10.133 5.734 0.592 1.00 65.10 H new ATOM 0 HZ2 LYS A 81 9.759 4.798 -0.775 1.00 65.10 H new ATOM 0 HZ3 LYS A 81 10.386 4.055 0.618 1.00 65.10 H new ATOM 1312 N ASP A 82 16.180 2.735 0.922 1.00 5.15 N ATOM 1313 CA ASP A 82 16.444 3.250 2.261 1.00 23.12 C ATOM 1314 C ASP A 82 16.555 2.110 3.270 1.00 54.55 C ATOM 1315 O ASP A 82 16.085 2.222 4.401 1.00 32.31 O ATOM 1316 CB ASP A 82 15.339 4.218 2.686 1.00 72.15 C ATOM 1317 CG ASP A 82 15.881 5.574 3.091 1.00 2.24 C ATOM 1318 OD1 ASP A 82 16.995 5.925 2.649 1.00 65.50 O ATOM 1319 OD2 ASP A 82 15.191 6.286 3.851 1.00 61.44 O ATOM 0 H ASP A 82 16.736 3.170 0.186 1.00 5.15 H new ATOM 0 HA ASP A 82 17.394 3.784 2.237 1.00 23.12 H new ATOM 0 HB2 ASP A 82 14.634 4.343 1.864 1.00 72.15 H new ATOM 0 HB3 ASP A 82 14.784 3.788 3.520 1.00 72.15 H new ATOM 1324 N GLY A 83 17.178 1.014 2.850 1.00 63.41 N ATOM 1325 CA GLY A 83 17.338 -0.131 3.728 1.00 53.21 C ATOM 1326 C GLY A 83 16.018 -0.617 4.292 1.00 14.13 C ATOM 1327 O GLY A 83 15.949 -1.057 5.441 1.00 42.12 O ATOM 0 H GLY A 83 17.575 0.898 1.918 1.00 63.41 H new ATOM 0 HA2 GLY A 83 17.816 -0.942 3.179 1.00 53.21 H new ATOM 0 HA3 GLY A 83 18.005 0.134 4.549 1.00 53.21 H new ATOM 1331 N LEU A 84 14.966 -0.537 3.485 1.00 14.43 N ATOM 1332 CA LEU A 84 13.640 -0.971 3.911 1.00 15.42 C ATOM 1333 C LEU A 84 13.344 -2.383 3.418 1.00 64.42 C ATOM 1334 O LEU A 84 13.095 -3.290 4.212 1.00 41.35 O ATOM 1335 CB LEU A 84 12.574 -0.004 3.392 1.00 13.23 C ATOM 1336 CG LEU A 84 12.488 1.346 4.105 1.00 12.13 C ATOM 1337 CD1 LEU A 84 12.042 2.433 3.139 1.00 22.30 C ATOM 1338 CD2 LEU A 84 11.539 1.263 5.292 1.00 53.11 C ATOM 0 H LEU A 84 15.005 -0.176 2.532 1.00 14.43 H new ATOM 0 HA LEU A 84 13.619 -0.975 5.001 1.00 15.42 H new ATOM 0 HB2 LEU A 84 12.761 0.178 2.334 1.00 13.23 H new ATOM 0 HB3 LEU A 84 11.602 -0.493 3.464 1.00 13.23 H new ATOM 0 HG LEU A 84 13.480 1.603 4.476 1.00 12.13 H new ATOM 0 HD11 LEU A 84 11.987 3.386 3.664 1.00 22.30 H new ATOM 0 HD12 LEU A 84 12.759 2.510 2.322 1.00 22.30 H new ATOM 0 HD13 LEU A 84 11.060 2.182 2.738 1.00 22.30 H new ATOM 0 HD21 LEU A 84 11.490 2.233 5.787 1.00 53.11 H new ATOM 0 HD22 LEU A 84 10.545 0.983 4.944 1.00 53.11 H new ATOM 0 HD23 LEU A 84 11.901 0.514 5.996 1.00 53.11 H new ATOM 1350 N GLY A 85 13.377 -2.564 2.101 1.00 54.22 N ATOM 1351 CA GLY A 85 13.113 -3.869 1.524 1.00 32.22 C ATOM 1352 C GLY A 85 11.681 -4.015 1.049 1.00 14.45 C ATOM 1353 O GLY A 85 10.762 -4.154 1.858 1.00 44.21 O ATOM 0 H GLY A 85 13.582 -1.830 1.423 1.00 54.22 H new ATOM 0 HA2 GLY A 85 13.789 -4.035 0.685 1.00 32.22 H new ATOM 0 HA3 GLY A 85 13.327 -4.640 2.264 1.00 32.22 H new ATOM 1357 N TYR A 86 11.488 -3.981 -0.264 1.00 44.24 N ATOM 1358 CA TYR A 86 10.157 -4.106 -0.846 1.00 0.24 C ATOM 1359 C TYR A 86 10.105 -5.256 -1.847 1.00 3.05 C ATOM 1360 O TYR A 86 11.111 -5.921 -2.097 1.00 55.15 O ATOM 1361 CB TYR A 86 9.752 -2.800 -1.531 1.00 43.32 C ATOM 1362 CG TYR A 86 9.528 -1.655 -0.569 1.00 70.01 C ATOM 1363 CD1 TYR A 86 8.278 -1.430 -0.006 1.00 32.55 C ATOM 1364 CD2 TYR A 86 10.565 -0.798 -0.224 1.00 44.44 C ATOM 1365 CE1 TYR A 86 8.068 -0.386 0.873 1.00 12.54 C ATOM 1366 CE2 TYR A 86 10.365 0.249 0.655 1.00 71.13 C ATOM 1367 CZ TYR A 86 9.115 0.451 1.201 1.00 75.03 C ATOM 1368 OH TYR A 86 8.910 1.493 2.076 1.00 44.22 O ATOM 0 H TYR A 86 12.237 -3.868 -0.947 1.00 44.24 H new ATOM 0 HA TYR A 86 9.455 -4.319 -0.040 1.00 0.24 H new ATOM 0 HB2 TYR A 86 10.527 -2.518 -2.244 1.00 43.32 H new ATOM 0 HB3 TYR A 86 8.839 -2.967 -2.102 1.00 43.32 H new ATOM 0 HD1 TYR A 86 7.456 -2.083 -0.260 1.00 32.55 H new ATOM 0 HD2 TYR A 86 11.545 -0.953 -0.650 1.00 44.44 H new ATOM 0 HE1 TYR A 86 7.090 -0.225 1.301 1.00 12.54 H new ATOM 0 HE2 TYR A 86 11.183 0.905 0.913 1.00 71.13 H new ATOM 0 HH TYR A 86 8.202 1.253 2.710 1.00 44.22 H new ATOM 1378 N ARG A 87 8.926 -5.484 -2.416 1.00 1.33 N ATOM 1379 CA ARG A 87 8.741 -6.553 -3.389 1.00 64.31 C ATOM 1380 C ARG A 87 7.308 -6.571 -3.912 1.00 41.33 C ATOM 1381 O ARG A 87 6.354 -6.546 -3.135 1.00 60.14 O ATOM 1382 CB ARG A 87 9.084 -7.906 -2.763 1.00 34.42 C ATOM 1383 CG ARG A 87 8.567 -9.094 -3.558 1.00 53.14 C ATOM 1384 CD ARG A 87 7.568 -9.912 -2.754 1.00 5.42 C ATOM 1385 NE ARG A 87 8.199 -11.055 -2.100 1.00 34.31 N ATOM 1386 CZ ARG A 87 7.707 -11.644 -1.015 1.00 63.33 C ATOM 1387 NH1 ARG A 87 6.585 -11.200 -0.466 1.00 43.32 N ATOM 1388 NH2 ARG A 87 8.338 -12.681 -0.478 1.00 43.51 N ATOM 0 H ARG A 87 8.084 -4.942 -2.220 1.00 1.33 H new ATOM 0 HA ARG A 87 9.413 -6.367 -4.227 1.00 64.31 H new ATOM 0 HB2 ARG A 87 10.167 -7.988 -2.666 1.00 34.42 H new ATOM 0 HB3 ARG A 87 8.670 -7.946 -1.755 1.00 34.42 H new ATOM 0 HG2 ARG A 87 8.095 -8.742 -4.475 1.00 53.14 H new ATOM 0 HG3 ARG A 87 9.404 -9.727 -3.853 1.00 53.14 H new ATOM 0 HD2 ARG A 87 7.100 -9.276 -2.002 1.00 5.42 H new ATOM 0 HD3 ARG A 87 6.774 -10.264 -3.412 1.00 5.42 H new ATOM 0 HE ARG A 87 9.064 -11.421 -2.497 1.00 34.31 H new ATOM 0 HH11 ARG A 87 6.097 -10.404 -0.876 1.00 43.32 H new ATOM 0 HH12 ARG A 87 6.210 -11.654 0.367 1.00 43.32 H new ATOM 0 HH21 ARG A 87 9.201 -13.026 -0.898 1.00 43.51 H new ATOM 0 HH22 ARG A 87 7.960 -13.133 0.355 1.00 43.51 H new ATOM 1402 N GLN A 88 7.166 -6.613 -5.233 1.00 43.21 N ATOM 1403 CA GLN A 88 5.850 -6.632 -5.859 1.00 74.23 C ATOM 1404 C GLN A 88 5.101 -7.916 -5.514 1.00 45.40 C ATOM 1405 O GLN A 88 5.543 -8.695 -4.670 1.00 21.22 O ATOM 1406 CB GLN A 88 5.981 -6.497 -7.377 1.00 64.32 C ATOM 1407 CG GLN A 88 5.073 -5.435 -7.975 1.00 32.12 C ATOM 1408 CD GLN A 88 5.812 -4.153 -8.305 1.00 72.41 C ATOM 1409 OE1 GLN A 88 5.879 -3.234 -7.489 1.00 24.13 O ATOM 1410 NE2 GLN A 88 6.371 -4.085 -9.507 1.00 64.45 N ATOM 0 H GLN A 88 7.946 -6.634 -5.890 1.00 43.21 H new ATOM 0 HA GLN A 88 5.281 -5.786 -5.474 1.00 74.23 H new ATOM 0 HB2 GLN A 88 7.016 -6.259 -7.624 1.00 64.32 H new ATOM 0 HB3 GLN A 88 5.756 -7.458 -7.839 1.00 64.32 H new ATOM 0 HG2 GLN A 88 4.610 -5.826 -8.881 1.00 32.12 H new ATOM 0 HG3 GLN A 88 4.267 -5.215 -7.275 1.00 32.12 H new ATOM 0 HE21 GLN A 88 6.291 -4.871 -10.152 1.00 64.45 H new ATOM 0 HE22 GLN A 88 6.881 -3.247 -9.786 1.00 64.45 H new ATOM 1419 N ASP A 89 3.967 -8.128 -6.172 1.00 21.23 N ATOM 1420 CA ASP A 89 3.157 -9.318 -5.935 1.00 4.20 C ATOM 1421 C ASP A 89 2.047 -9.435 -6.975 1.00 24.42 C ATOM 1422 O ASP A 89 2.033 -8.708 -7.966 1.00 50.45 O ATOM 1423 CB ASP A 89 2.555 -9.279 -4.530 1.00 32.23 C ATOM 1424 CG ASP A 89 2.346 -10.665 -3.951 1.00 42.20 C ATOM 1425 OD1 ASP A 89 3.350 -11.377 -3.740 1.00 62.52 O ATOM 1426 OD2 ASP A 89 1.179 -11.036 -3.708 1.00 62.31 O ATOM 0 H ASP A 89 3.587 -7.492 -6.873 1.00 21.23 H new ATOM 0 HA ASP A 89 3.804 -10.191 -6.020 1.00 4.20 H new ATOM 0 HB2 ASP A 89 3.211 -8.709 -3.872 1.00 32.23 H new ATOM 0 HB3 ASP A 89 1.600 -8.754 -4.561 1.00 32.23 H new ATOM 1431 N ASN A 90 1.120 -10.358 -6.741 1.00 14.12 N ATOM 1432 CA ASN A 90 0.006 -10.572 -7.658 1.00 64.12 C ATOM 1433 C ASN A 90 0.420 -11.478 -8.814 1.00 24.33 C ATOM 1434 O ASN A 90 -0.365 -12.300 -9.284 1.00 21.41 O ATOM 1435 CB ASN A 90 -0.499 -9.234 -8.201 1.00 14.13 C ATOM 1436 CG ASN A 90 -2.001 -9.227 -8.415 1.00 3.05 C ATOM 1437 OD1 ASN A 90 -2.477 -9.205 -9.549 1.00 52.34 O ATOM 1438 ND2 ASN A 90 -2.754 -9.246 -7.321 1.00 0.30 N ATOM 0 H ASN A 90 1.118 -10.970 -5.925 1.00 14.12 H new ATOM 0 HA ASN A 90 -0.798 -11.060 -7.106 1.00 64.12 H new ATOM 0 HB2 ASN A 90 -0.230 -8.438 -7.506 1.00 14.13 H new ATOM 0 HB3 ASN A 90 0.001 -9.016 -9.145 1.00 14.13 H new ATOM 0 HD21 ASN A 90 -3.771 -9.243 -7.402 1.00 0.30 H new ATOM 0 HD22 ASN A 90 -2.315 -9.264 -6.400 1.00 0.30 H new ATOM 1445 N GLY A 91 1.661 -11.322 -9.267 1.00 13.44 N ATOM 1446 CA GLY A 91 2.158 -12.132 -10.363 1.00 21.33 C ATOM 1447 C GLY A 91 1.166 -12.236 -11.504 1.00 34.54 C ATOM 1448 O GLY A 91 0.509 -13.263 -11.671 1.00 32.53 O ATOM 0 H GLY A 91 2.330 -10.649 -8.894 1.00 13.44 H new ATOM 0 HA2 GLY A 91 3.089 -11.704 -10.734 1.00 21.33 H new ATOM 0 HA3 GLY A 91 2.390 -13.132 -9.996 1.00 21.33 H new ATOM 1452 N GLU A 92 1.055 -11.170 -12.289 1.00 42.24 N ATOM 1453 CA GLU A 92 0.133 -11.146 -13.419 1.00 10.03 C ATOM 1454 C GLU A 92 0.404 -9.943 -14.317 1.00 43.22 C ATOM 1455 O GLU A 92 0.277 -8.795 -13.891 1.00 34.13 O ATOM 1456 CB GLU A 92 -1.314 -11.110 -12.923 1.00 73.42 C ATOM 1457 CG GLU A 92 -2.341 -11.270 -14.032 1.00 32.13 C ATOM 1458 CD GLU A 92 -3.766 -11.132 -13.531 1.00 61.03 C ATOM 1459 OE1 GLU A 92 -4.100 -11.771 -12.511 1.00 53.44 O ATOM 1460 OE2 GLU A 92 -4.546 -10.386 -14.159 1.00 72.31 O ATOM 0 H GLU A 92 1.592 -10.312 -12.164 1.00 42.24 H new ATOM 0 HA GLU A 92 0.288 -12.054 -14.001 1.00 10.03 H new ATOM 0 HB2 GLU A 92 -1.458 -11.903 -12.189 1.00 73.42 H new ATOM 0 HB3 GLU A 92 -1.490 -10.165 -12.410 1.00 73.42 H new ATOM 0 HG2 GLU A 92 -2.157 -10.522 -14.803 1.00 32.13 H new ATOM 0 HG3 GLU A 92 -2.217 -12.247 -14.499 1.00 32.13 H new ATOM 1467 N TRP A 93 0.779 -10.214 -15.562 1.00 24.52 N ATOM 1468 CA TRP A 93 1.070 -9.155 -16.521 1.00 54.30 C ATOM 1469 C TRP A 93 0.921 -9.660 -17.952 1.00 3.11 C ATOM 1470 O TRP A 93 1.628 -10.576 -18.375 1.00 1.43 O ATOM 1471 CB TRP A 93 2.483 -8.614 -16.302 1.00 44.50 C ATOM 1472 CG TRP A 93 2.628 -7.824 -15.036 1.00 71.40 C ATOM 1473 CD1 TRP A 93 2.259 -6.525 -14.833 1.00 61.25 C ATOM 1474 CD2 TRP A 93 3.182 -8.284 -13.799 1.00 4.24 C ATOM 1475 NE1 TRP A 93 2.551 -6.149 -13.545 1.00 21.15 N ATOM 1476 CE2 TRP A 93 3.117 -7.210 -12.889 1.00 23.21 C ATOM 1477 CE3 TRP A 93 3.726 -9.498 -13.370 1.00 14.33 C ATOM 1478 CZ2 TRP A 93 3.576 -7.316 -11.579 1.00 23.23 C ATOM 1479 CZ3 TRP A 93 4.181 -9.601 -12.069 1.00 60.31 C ATOM 1480 CH2 TRP A 93 4.103 -8.516 -11.186 1.00 24.33 C ATOM 0 H TRP A 93 0.889 -11.159 -15.931 1.00 24.52 H new ATOM 0 HA TRP A 93 0.352 -8.350 -16.364 1.00 54.30 H new ATOM 0 HB2 TRP A 93 3.185 -9.448 -16.284 1.00 44.50 H new ATOM 0 HB3 TRP A 93 2.758 -7.984 -17.148 1.00 44.50 H new ATOM 0 HD1 TRP A 93 1.804 -5.887 -15.576 1.00 61.25 H new ATOM 0 HE1 TRP A 93 2.375 -5.229 -13.142 1.00 21.15 H new ATOM 0 HE3 TRP A 93 3.790 -10.340 -14.043 1.00 14.33 H new ATOM 0 HZ2 TRP A 93 3.518 -6.481 -10.897 1.00 23.23 H new ATOM 0 HZ3 TRP A 93 4.604 -10.534 -11.727 1.00 60.31 H new ATOM 0 HH2 TRP A 93 4.466 -8.629 -10.175 1.00 24.33 H new ATOM 1491 N THR A 94 -0.002 -9.058 -18.695 1.00 52.20 N ATOM 1492 CA THR A 94 -0.243 -9.448 -20.078 1.00 54.44 C ATOM 1493 C THR A 94 0.619 -8.635 -21.037 1.00 50.22 C ATOM 1494 O THR A 94 0.837 -7.441 -20.832 1.00 13.40 O ATOM 1495 CB THR A 94 -1.725 -9.270 -20.462 1.00 3.00 C ATOM 1496 OG1 THR A 94 -2.559 -9.966 -19.530 1.00 31.53 O ATOM 1497 CG2 THR A 94 -1.985 -9.787 -21.869 1.00 33.54 C ATOM 0 H THR A 94 -0.595 -8.298 -18.362 1.00 52.20 H new ATOM 0 HA THR A 94 0.022 -10.502 -20.160 1.00 54.44 H new ATOM 0 HB THR A 94 -1.960 -8.206 -20.434 1.00 3.00 H new ATOM 0 HG1 THR A 94 -3.499 -9.847 -19.780 1.00 31.53 H new ATOM 0 HG21 THR A 94 -3.037 -9.651 -22.118 1.00 33.54 H new ATOM 0 HG22 THR A 94 -1.370 -9.234 -22.579 1.00 33.54 H new ATOM 0 HG23 THR A 94 -1.734 -10.847 -21.919 1.00 33.54 H new ATOM 1505 N VAL A 95 1.108 -9.289 -22.086 1.00 32.10 N ATOM 1506 CA VAL A 95 1.945 -8.626 -23.078 1.00 65.12 C ATOM 1507 C VAL A 95 1.109 -7.759 -24.012 1.00 42.32 C ATOM 1508 O VAL A 95 0.316 -8.268 -24.803 1.00 13.01 O ATOM 1509 CB VAL A 95 2.738 -9.647 -23.916 1.00 22.01 C ATOM 1510 CG1 VAL A 95 3.719 -8.936 -24.836 1.00 71.40 C ATOM 1511 CG2 VAL A 95 3.462 -10.632 -23.010 1.00 10.41 C ATOM 0 H VAL A 95 0.939 -10.278 -22.270 1.00 32.10 H new ATOM 0 HA VAL A 95 2.645 -7.995 -22.530 1.00 65.12 H new ATOM 0 HB VAL A 95 2.036 -10.206 -24.535 1.00 22.01 H new ATOM 0 HG11 VAL A 95 4.270 -9.673 -25.420 1.00 71.40 H new ATOM 0 HG12 VAL A 95 3.173 -8.275 -25.509 1.00 71.40 H new ATOM 0 HG13 VAL A 95 4.418 -8.350 -24.239 1.00 71.40 H new ATOM 0 HG21 VAL A 95 4.017 -11.346 -23.619 1.00 10.41 H new ATOM 0 HG22 VAL A 95 4.153 -10.091 -22.364 1.00 10.41 H new ATOM 0 HG23 VAL A 95 2.735 -11.165 -22.398 1.00 10.41 H new ATOM 1521 N GLU A 96 1.293 -6.446 -23.915 1.00 44.20 N ATOM 1522 CA GLU A 96 0.555 -5.507 -24.752 1.00 32.41 C ATOM 1523 C GLU A 96 1.496 -4.488 -25.388 1.00 30.41 C ATOM 1524 O GLU A 96 1.057 -3.557 -26.061 1.00 72.24 O ATOM 1525 CB GLU A 96 -0.514 -4.786 -23.928 1.00 24.34 C ATOM 1526 CG GLU A 96 -1.669 -5.681 -23.513 1.00 33.32 C ATOM 1527 CD GLU A 96 -2.844 -4.898 -22.959 1.00 71.34 C ATOM 1528 OE1 GLU A 96 -2.818 -4.557 -21.759 1.00 5.04 O ATOM 1529 OE2 GLU A 96 -3.790 -4.627 -23.728 1.00 52.22 O ATOM 0 H GLU A 96 1.947 -6.009 -23.265 1.00 44.20 H new ATOM 0 HA GLU A 96 0.070 -6.073 -25.547 1.00 32.41 H new ATOM 0 HB2 GLU A 96 -0.051 -4.367 -23.035 1.00 24.34 H new ATOM 0 HB3 GLU A 96 -0.904 -3.949 -24.507 1.00 24.34 H new ATOM 0 HG2 GLU A 96 -1.999 -6.264 -24.373 1.00 33.32 H new ATOM 0 HG3 GLU A 96 -1.322 -6.390 -22.761 1.00 33.32 H new ATOM 1536 N GLY A 97 2.794 -4.672 -25.168 1.00 23.42 N ATOM 1537 CA GLY A 97 3.778 -3.762 -25.725 1.00 15.11 C ATOM 1538 C GLY A 97 4.704 -4.443 -26.712 1.00 43.24 C ATOM 1539 O GLY A 97 4.539 -5.624 -27.017 1.00 22.22 O ATOM 0 H GLY A 97 3.182 -5.435 -24.614 1.00 23.42 H new ATOM 0 HA2 GLY A 97 3.266 -2.938 -26.221 1.00 15.11 H new ATOM 0 HA3 GLY A 97 4.368 -3.330 -24.916 1.00 15.11 H new ATOM 1543 N PHE A 98 5.682 -3.696 -27.216 1.00 34.11 N ATOM 1544 CA PHE A 98 6.637 -4.234 -28.177 1.00 71.13 C ATOM 1545 C PHE A 98 7.934 -3.431 -28.163 1.00 1.23 C ATOM 1546 O PHE A 98 7.964 -2.287 -27.709 1.00 3.04 O ATOM 1547 CB PHE A 98 6.035 -4.227 -29.584 1.00 65.52 C ATOM 1548 CG PHE A 98 6.184 -5.536 -30.306 1.00 21.31 C ATOM 1549 CD1 PHE A 98 5.599 -6.688 -29.806 1.00 74.44 C ATOM 1550 CD2 PHE A 98 6.910 -5.615 -31.484 1.00 11.44 C ATOM 1551 CE1 PHE A 98 5.733 -7.894 -30.468 1.00 62.42 C ATOM 1552 CE2 PHE A 98 7.047 -6.818 -32.150 1.00 5.50 C ATOM 1553 CZ PHE A 98 6.459 -7.959 -31.641 1.00 65.10 C ATOM 0 H PHE A 98 5.833 -2.717 -26.974 1.00 34.11 H new ATOM 0 HA PHE A 98 6.863 -5.261 -27.891 1.00 71.13 H new ATOM 0 HB2 PHE A 98 4.976 -3.977 -29.516 1.00 65.52 H new ATOM 0 HB3 PHE A 98 6.511 -3.441 -30.171 1.00 65.52 H new ATOM 0 HD1 PHE A 98 5.032 -6.643 -28.888 1.00 74.44 H new ATOM 0 HD2 PHE A 98 7.374 -4.726 -31.886 1.00 11.44 H new ATOM 0 HE1 PHE A 98 5.270 -8.784 -30.068 1.00 62.42 H new ATOM 0 HE2 PHE A 98 7.614 -6.866 -33.068 1.00 5.50 H new ATOM 0 HZ PHE A 98 6.567 -8.900 -32.159 1.00 65.10 H new ATOM 1563 N VAL A 99 9.005 -4.039 -28.663 1.00 3.22 N ATOM 1564 CA VAL A 99 10.306 -3.381 -28.708 1.00 71.33 C ATOM 1565 C VAL A 99 11.283 -4.156 -29.585 1.00 71.24 C ATOM 1566 O VAL A 99 10.911 -5.138 -30.229 1.00 4.21 O ATOM 1567 CB VAL A 99 10.908 -3.230 -27.299 1.00 13.53 C ATOM 1568 CG1 VAL A 99 10.806 -1.787 -26.827 1.00 41.00 C ATOM 1569 CG2 VAL A 99 10.217 -4.169 -26.321 1.00 43.41 C ATOM 0 H VAL A 99 8.998 -4.986 -29.043 1.00 3.22 H new ATOM 0 HA VAL A 99 10.145 -2.391 -29.134 1.00 71.33 H new ATOM 0 HB VAL A 99 11.963 -3.500 -27.343 1.00 13.53 H new ATOM 0 HG11 VAL A 99 11.236 -1.699 -25.829 1.00 41.00 H new ATOM 0 HG12 VAL A 99 11.350 -1.140 -27.515 1.00 41.00 H new ATOM 0 HG13 VAL A 99 9.759 -1.487 -26.798 1.00 41.00 H new ATOM 0 HG21 VAL A 99 10.655 -4.049 -25.330 1.00 43.41 H new ATOM 0 HG22 VAL A 99 9.154 -3.932 -26.279 1.00 43.41 H new ATOM 0 HG23 VAL A 99 10.346 -5.199 -26.653 1.00 43.41 H new ATOM 1579 N ASP A 100 12.534 -3.709 -29.606 1.00 34.03 N ATOM 1580 CA ASP A 100 13.566 -4.361 -30.403 1.00 30.42 C ATOM 1581 C ASP A 100 14.930 -4.239 -29.731 1.00 11.14 C ATOM 1582 O ASP A 100 15.283 -3.181 -29.211 1.00 43.24 O ATOM 1583 CB ASP A 100 13.618 -3.753 -31.805 1.00 42.01 C ATOM 1584 CG ASP A 100 12.261 -3.736 -32.480 1.00 15.45 C ATOM 1585 OD1 ASP A 100 11.400 -2.933 -32.061 1.00 33.33 O ATOM 1586 OD2 ASP A 100 12.059 -4.524 -33.427 1.00 0.32 O ATOM 0 H ASP A 100 12.858 -2.897 -29.080 1.00 34.03 H new ATOM 0 HA ASP A 100 13.314 -5.418 -30.483 1.00 30.42 H new ATOM 0 HB2 ASP A 100 14.002 -2.735 -31.742 1.00 42.01 H new ATOM 0 HB3 ASP A 100 14.318 -4.320 -32.418 1.00 42.01 H new ATOM 1591 N GLU A 101 15.691 -5.329 -29.744 1.00 33.11 N ATOM 1592 CA GLU A 101 17.015 -5.343 -29.134 1.00 31.14 C ATOM 1593 C GLU A 101 18.043 -4.686 -30.050 1.00 23.12 C ATOM 1594 O GLU A 101 19.129 -5.223 -30.267 1.00 42.31 O ATOM 1595 CB GLU A 101 17.440 -6.779 -28.818 1.00 42.31 C ATOM 1596 CG GLU A 101 18.274 -6.903 -27.554 1.00 11.42 C ATOM 1597 CD GLU A 101 18.919 -8.268 -27.412 1.00 11.42 C ATOM 1598 OE1 GLU A 101 18.246 -9.275 -27.714 1.00 71.31 O ATOM 1599 OE2 GLU A 101 20.096 -8.328 -26.998 1.00 74.35 O ATOM 0 H GLU A 101 15.413 -6.213 -30.170 1.00 33.11 H new ATOM 0 HA GLU A 101 16.966 -4.774 -28.206 1.00 31.14 H new ATOM 0 HB2 GLU A 101 16.549 -7.399 -28.718 1.00 42.31 H new ATOM 0 HB3 GLU A 101 18.010 -7.174 -29.659 1.00 42.31 H new ATOM 0 HG2 GLU A 101 19.050 -6.137 -27.559 1.00 11.42 H new ATOM 0 HG3 GLU A 101 17.643 -6.712 -26.686 1.00 11.42 H new ATOM 1606 N ALA A 102 17.692 -3.521 -30.585 1.00 31.25 N ATOM 1607 CA ALA A 102 18.584 -2.790 -31.476 1.00 13.22 C ATOM 1608 C ALA A 102 18.644 -1.313 -31.101 1.00 50.13 C ATOM 1609 O ALA A 102 17.714 -0.554 -31.377 1.00 35.32 O ATOM 1610 CB ALA A 102 18.135 -2.952 -32.921 1.00 23.03 C ATOM 0 H ALA A 102 16.796 -3.063 -30.417 1.00 31.25 H new ATOM 0 HA ALA A 102 19.586 -3.206 -31.369 1.00 13.22 H new ATOM 0 HB1 ALA A 102 18.810 -2.401 -33.576 1.00 23.03 H new ATOM 0 HB2 ALA A 102 18.150 -4.008 -33.190 1.00 23.03 H new ATOM 0 HB3 ALA A 102 17.123 -2.563 -33.033 1.00 23.03 H new