USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 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 41 MET CE :methyl -152:sc= -0.286 (180deg=-1.05) USER MOD Set 1.2: A 43 MET CE :methyl 169:sc= 0 (180deg=-0.0248) USER MOD Single : A 4 GLN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.053) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 1.29 (180deg=-1.19) USER MOD Single : A 12 SER OG : rot 77:sc= 0.372 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.855 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 32 TYR OH : rot 14:sc= 0.803 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 36 HIS : +bothHN:sc= 0.0862 K(o=0.086,f=-5.1!) USER MOD Single : A 38 MET CE :methyl -110:sc= -1.63 (180deg=-4.99!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -32:sc= 0.722 USER MOD Single : A 55 SER OG : rot 94:sc= 0.526 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= 0.528 (180deg=0.319) USER MOD Single : A 59 SER OG : rot -42:sc= 0.802 USER MOD Single : A 63 TYR OH : rot -150:sc= 0.695 USER MOD Single : A 65 TYR OH : rot 86:sc= 1.79 USER MOD Single : A 71 GLN : amide:sc= -1.94! C(o=-1.9!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 78:sc= 1.79 USER MOD Single : A 73 SER OG : rot 77:sc= 1.22 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.81! C(o=-1.8!,f=-2!) USER MOD Single : A 88 SER OG : rot 139:sc= 2.16 USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.863) 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 4.574 -0.452 11.357 1.00 5.44 N ATOM 50 CA GLN A 4 5.188 -1.334 10.354 1.00 55.25 C ATOM 51 C GLN A 4 4.695 -2.783 10.481 1.00 11.53 C ATOM 52 O GLN A 4 4.809 -3.404 11.543 1.00 62.50 O ATOM 53 CB GLN A 4 6.716 -1.293 10.495 1.00 32.35 C ATOM 54 CG GLN A 4 7.287 0.120 10.524 1.00 63.51 C ATOM 55 CD GLN A 4 8.803 0.138 10.546 1.00 35.31 C ATOM 56 OE1 GLN A 4 9.428 0.125 11.605 1.00 51.03 O ATOM 57 NE2 GLN A 4 9.409 0.163 9.381 1.00 44.03 N ATOM 0 HA GLN A 4 4.893 -0.970 9.370 1.00 55.25 H new ATOM 0 HB2 GLN A 4 7.002 -1.811 11.410 1.00 32.35 H new ATOM 0 HB3 GLN A 4 7.164 -1.840 9.666 1.00 32.35 H new ATOM 0 HG2 GLN A 4 6.934 0.668 9.651 1.00 63.51 H new ATOM 0 HG3 GLN A 4 6.909 0.642 11.403 1.00 63.51 H new ATOM 0 HE21 GLN A 4 8.861 0.173 8.521 1.00 44.03 H new ATOM 0 HE22 GLN A 4 10.428 0.172 9.336 1.00 44.03 H new ATOM 66 N SER A 5 4.159 -3.323 9.390 1.00 41.25 N ATOM 67 CA SER A 5 3.690 -4.716 9.358 1.00 14.30 C ATOM 68 C SER A 5 4.389 -5.518 8.257 1.00 12.54 C ATOM 69 O SER A 5 4.622 -5.015 7.158 1.00 34.30 O ATOM 70 CB SER A 5 2.173 -4.770 9.135 1.00 60.00 C ATOM 71 OG SER A 5 1.711 -6.113 9.031 1.00 14.43 O ATOM 0 H SER A 5 4.036 -2.820 8.511 1.00 41.25 H new ATOM 0 HA SER A 5 3.934 -5.161 10.323 1.00 14.30 H new ATOM 0 HB2 SER A 5 1.664 -4.271 9.960 1.00 60.00 H new ATOM 0 HB3 SER A 5 1.917 -4.224 8.227 1.00 60.00 H new ATOM 0 HG SER A 5 0.741 -6.115 8.891 1.00 14.43 H new ATOM 77 N ASP A 6 4.717 -6.773 8.555 1.00 44.45 N ATOM 78 CA ASP A 6 5.315 -7.672 7.563 1.00 3.44 C ATOM 79 C ASP A 6 4.269 -8.099 6.509 1.00 12.11 C ATOM 80 O ASP A 6 3.059 -8.071 6.769 1.00 1.33 O ATOM 81 CB ASP A 6 5.899 -8.912 8.256 1.00 5.20 C ATOM 82 CG ASP A 6 6.529 -9.884 7.272 1.00 54.31 C ATOM 83 OD1 ASP A 6 5.808 -10.757 6.740 1.00 3.12 O ATOM 84 OD2 ASP A 6 7.739 -9.763 7.003 1.00 64.13 O ATOM 0 H ASP A 6 4.580 -7.193 9.474 1.00 44.45 H new ATOM 0 HA ASP A 6 6.117 -7.136 7.056 1.00 3.44 H new ATOM 0 HB2 ASP A 6 6.648 -8.599 8.983 1.00 5.20 H new ATOM 0 HB3 ASP A 6 5.110 -9.421 8.810 1.00 5.20 H new ATOM 89 N ALA A 7 4.747 -8.516 5.336 1.00 44.22 N ATOM 90 CA ALA A 7 3.873 -8.909 4.223 1.00 10.25 C ATOM 91 C ALA A 7 2.852 -9.998 4.613 1.00 31.20 C ATOM 92 O ALA A 7 1.651 -9.838 4.379 1.00 73.01 O ATOM 93 CB ALA A 7 4.719 -9.375 3.041 1.00 53.21 C ATOM 0 H ALA A 7 5.743 -8.592 5.128 1.00 44.22 H new ATOM 0 HA ALA A 7 3.295 -8.028 3.943 1.00 10.25 H new ATOM 0 HB1 ALA A 7 4.066 -9.665 2.218 1.00 53.21 H new ATOM 0 HB2 ALA A 7 5.371 -8.563 2.718 1.00 53.21 H new ATOM 0 HB3 ALA A 7 5.325 -10.229 3.342 1.00 53.21 H new ATOM 99 N HIS A 8 3.307 -11.102 5.222 1.00 3.11 N ATOM 100 CA HIS A 8 2.391 -12.211 5.541 1.00 55.23 C ATOM 101 C HIS A 8 1.461 -11.881 6.712 1.00 15.23 C ATOM 102 O HIS A 8 0.364 -12.431 6.805 1.00 43.12 O ATOM 103 CB HIS A 8 3.120 -13.551 5.756 1.00 52.02 C ATOM 104 CG HIS A 8 4.279 -13.530 6.703 1.00 41.21 C ATOM 105 ND1 HIS A 8 5.522 -14.010 6.358 1.00 42.42 N ATOM 106 CD2 HIS A 8 4.374 -13.154 7.997 1.00 44.01 C ATOM 107 CE1 HIS A 8 6.325 -13.932 7.389 1.00 33.24 C ATOM 108 NE2 HIS A 8 5.659 -13.417 8.402 1.00 65.00 N ATOM 0 H HIS A 8 4.277 -11.252 5.498 1.00 3.11 H new ATOM 0 HA HIS A 8 1.765 -12.337 4.658 1.00 55.23 H new ATOM 0 HB2 HIS A 8 2.396 -14.281 6.118 1.00 52.02 H new ATOM 0 HB3 HIS A 8 3.475 -13.907 4.789 1.00 52.02 H new ATOM 0 HD2 HIS A 8 3.587 -12.727 8.600 1.00 44.01 H new ATOM 0 HE1 HIS A 8 7.360 -14.239 7.406 1.00 33.24 H new ATOM 0 HE2 HIS A 8 6.036 -13.242 9.334 1.00 65.00 H new ATOM 117 N VAL A 9 1.885 -10.983 7.597 1.00 2.54 N ATOM 118 CA VAL A 9 1.004 -10.508 8.669 1.00 53.34 C ATOM 119 C VAL A 9 -0.237 -9.827 8.071 1.00 11.33 C ATOM 120 O VAL A 9 -1.363 -10.037 8.529 1.00 30.12 O ATOM 121 CB VAL A 9 1.729 -9.521 9.617 1.00 14.03 C ATOM 122 CG1 VAL A 9 0.776 -9.010 10.702 1.00 44.32 C ATOM 123 CG2 VAL A 9 2.959 -10.182 10.238 1.00 62.24 C ATOM 0 H VAL A 9 2.819 -10.572 7.598 1.00 2.54 H new ATOM 0 HA VAL A 9 0.704 -11.378 9.253 1.00 53.34 H new ATOM 0 HB VAL A 9 2.061 -8.664 9.032 1.00 14.03 H new ATOM 0 HG11 VAL A 9 1.307 -8.318 11.356 1.00 44.32 H new ATOM 0 HG12 VAL A 9 -0.064 -8.496 10.235 1.00 44.32 H new ATOM 0 HG13 VAL A 9 0.406 -9.852 11.287 1.00 44.32 H new ATOM 0 HG21 VAL A 9 3.456 -9.474 10.901 1.00 62.24 H new ATOM 0 HG22 VAL A 9 2.652 -11.059 10.808 1.00 62.24 H new ATOM 0 HG23 VAL A 9 3.647 -10.485 9.449 1.00 62.24 H new ATOM 133 N LEU A 10 -0.021 -9.031 7.026 1.00 40.23 N ATOM 134 CA LEU A 10 -1.119 -8.380 6.310 1.00 31.20 C ATOM 135 C LEU A 10 -1.887 -9.395 5.443 1.00 25.33 C ATOM 136 O LEU A 10 -3.116 -9.376 5.385 1.00 30.45 O ATOM 137 CB LEU A 10 -0.577 -7.239 5.437 1.00 21.55 C ATOM 138 CG LEU A 10 -1.647 -6.315 4.828 1.00 40.34 C ATOM 139 CD1 LEU A 10 -2.401 -5.562 5.924 1.00 53.12 C ATOM 140 CD2 LEU A 10 -1.018 -5.337 3.837 1.00 61.00 C ATOM 0 H LEU A 10 0.905 -8.820 6.655 1.00 40.23 H new ATOM 0 HA LEU A 10 -1.810 -7.967 7.045 1.00 31.20 H new ATOM 0 HB2 LEU A 10 0.103 -6.635 6.038 1.00 21.55 H new ATOM 0 HB3 LEU A 10 0.011 -7.670 4.627 1.00 21.55 H new ATOM 0 HG LEU A 10 -2.362 -6.935 4.287 1.00 40.34 H new ATOM 0 HD11 LEU A 10 -3.152 -4.915 5.470 1.00 53.12 H new ATOM 0 HD12 LEU A 10 -2.890 -6.277 6.586 1.00 53.12 H new ATOM 0 HD13 LEU A 10 -1.700 -4.956 6.498 1.00 53.12 H new ATOM 0 HD21 LEU A 10 -1.793 -4.694 3.419 1.00 61.00 H new ATOM 0 HD22 LEU A 10 -0.276 -4.725 4.351 1.00 61.00 H new ATOM 0 HD23 LEU A 10 -0.536 -5.893 3.033 1.00 61.00 H new ATOM 152 N LYS A 11 -1.146 -10.286 4.778 1.00 24.13 N ATOM 153 CA LYS A 11 -1.742 -11.348 3.947 1.00 60.04 C ATOM 154 C LYS A 11 -2.729 -12.211 4.751 1.00 54.24 C ATOM 155 O LYS A 11 -3.831 -12.510 4.290 1.00 71.11 O ATOM 156 CB LYS A 11 -0.637 -12.240 3.353 1.00 74.31 C ATOM 157 CG LYS A 11 -1.165 -13.418 2.536 1.00 53.22 C ATOM 158 CD LYS A 11 -0.066 -14.429 2.208 1.00 31.14 C ATOM 159 CE LYS A 11 -0.647 -15.745 1.691 1.00 24.43 C ATOM 160 NZ LYS A 11 0.393 -16.798 1.544 1.00 61.53 N ATOM 0 H LYS A 11 -0.126 -10.296 4.796 1.00 24.13 H new ATOM 0 HA LYS A 11 -2.294 -10.865 3.141 1.00 60.04 H new ATOM 0 HB2 LYS A 11 0.007 -11.630 2.719 1.00 74.31 H new ATOM 0 HB3 LYS A 11 -0.017 -12.622 4.164 1.00 74.31 H new ATOM 0 HG2 LYS A 11 -1.961 -13.915 3.090 1.00 53.22 H new ATOM 0 HG3 LYS A 11 -1.605 -13.048 1.610 1.00 53.22 H new ATOM 0 HD2 LYS A 11 0.605 -14.008 1.459 1.00 31.14 H new ATOM 0 HD3 LYS A 11 0.531 -14.620 3.100 1.00 31.14 H new ATOM 0 HE2 LYS A 11 -1.420 -16.093 2.376 1.00 24.43 H new ATOM 0 HE3 LYS A 11 -1.128 -15.575 0.728 1.00 24.43 H new ATOM 0 HZ1 LYS A 11 0.390 -17.155 0.567 1.00 61.53 H new ATOM 0 HZ2 LYS A 11 1.327 -16.396 1.763 1.00 61.53 H new ATOM 0 HZ3 LYS A 11 0.190 -17.580 2.199 1.00 61.53 H new ATOM 174 N SER A 12 -2.339 -12.578 5.968 1.00 44.10 N ATOM 175 CA SER A 12 -3.171 -13.439 6.821 1.00 62.01 C ATOM 176 C SER A 12 -4.338 -12.634 7.364 1.00 43.14 C ATOM 177 O SER A 12 -5.460 -13.115 7.477 1.00 63.45 O ATOM 178 CB SER A 12 -2.360 -14.022 7.988 1.00 42.20 C ATOM 179 OG SER A 12 -1.281 -14.819 7.524 1.00 33.33 O ATOM 0 H SER A 12 -1.454 -12.296 6.391 1.00 44.10 H new ATOM 0 HA SER A 12 -3.537 -14.268 6.216 1.00 62.01 H new ATOM 0 HB2 SER A 12 -1.975 -13.211 8.606 1.00 42.20 H new ATOM 0 HB3 SER A 12 -3.012 -14.624 8.621 1.00 42.20 H new ATOM 0 HG SER A 12 -0.558 -14.238 7.208 1.00 33.33 H new ATOM 185 N ARG A 13 -4.049 -11.389 7.691 1.00 32.21 N ATOM 186 CA ARG A 13 -5.066 -10.436 8.096 1.00 25.51 C ATOM 187 C ARG A 13 -6.103 -10.207 6.975 1.00 70.43 C ATOM 188 O ARG A 13 -7.274 -9.941 7.243 1.00 53.10 O ATOM 189 CB ARG A 13 -4.375 -9.127 8.484 1.00 42.25 C ATOM 190 CG ARG A 13 -5.313 -7.947 8.596 1.00 15.44 C ATOM 191 CD ARG A 13 -4.572 -6.666 8.950 1.00 73.24 C ATOM 192 NE ARG A 13 -3.700 -6.842 10.109 1.00 20.33 N ATOM 193 CZ ARG A 13 -2.871 -5.939 10.537 1.00 65.54 C ATOM 194 NH1 ARG A 13 -2.827 -4.778 9.979 1.00 24.21 N ATOM 195 NH2 ARG A 13 -2.097 -6.194 11.537 1.00 34.44 N ATOM 0 H ARG A 13 -3.102 -11.009 7.684 1.00 32.21 H new ATOM 0 HA ARG A 13 -5.613 -10.831 8.952 1.00 25.51 H new ATOM 0 HB2 ARG A 13 -3.866 -9.265 9.438 1.00 42.25 H new ATOM 0 HB3 ARG A 13 -3.608 -8.900 7.744 1.00 42.25 H new ATOM 0 HG2 ARG A 13 -5.841 -7.812 7.652 1.00 15.44 H new ATOM 0 HG3 ARG A 13 -6.066 -8.153 9.356 1.00 15.44 H new ATOM 0 HD2 ARG A 13 -3.978 -6.342 8.095 1.00 73.24 H new ATOM 0 HD3 ARG A 13 -5.293 -5.875 9.155 1.00 73.24 H new ATOM 0 HE ARG A 13 -3.745 -7.728 10.612 1.00 20.33 H new ATOM 0 HH11 ARG A 13 -3.446 -4.564 9.197 1.00 24.21 H new ATOM 0 HH12 ARG A 13 -2.174 -4.073 10.320 1.00 24.21 H new ATOM 0 HH21 ARG A 13 -2.136 -7.106 11.992 1.00 34.44 H new ATOM 0 HH22 ARG A 13 -1.446 -5.484 11.872 1.00 34.44 H new ATOM 209 N LEU A 14 -5.665 -10.317 5.720 1.00 40.52 N ATOM 210 CA LEU A 14 -6.558 -10.182 4.568 1.00 52.32 C ATOM 211 C LEU A 14 -7.430 -11.444 4.398 1.00 35.42 C ATOM 212 O LEU A 14 -8.661 -11.370 4.397 1.00 12.42 O ATOM 213 CB LEU A 14 -5.716 -9.936 3.298 1.00 51.45 C ATOM 214 CG LEU A 14 -6.394 -9.121 2.181 1.00 31.44 C ATOM 215 CD1 LEU A 14 -5.406 -8.829 1.053 1.00 54.35 C ATOM 216 CD2 LEU A 14 -7.633 -9.832 1.634 1.00 44.43 C ATOM 0 H LEU A 14 -4.692 -10.500 5.475 1.00 40.52 H new ATOM 0 HA LEU A 14 -7.224 -9.335 4.733 1.00 52.32 H new ATOM 0 HB2 LEU A 14 -4.799 -9.423 3.589 1.00 51.45 H new ATOM 0 HB3 LEU A 14 -5.424 -10.903 2.888 1.00 51.45 H new ATOM 0 HG LEU A 14 -6.720 -8.177 2.617 1.00 31.44 H new ATOM 0 HD11 LEU A 14 -5.904 -8.252 0.273 1.00 54.35 H new ATOM 0 HD12 LEU A 14 -4.564 -8.258 1.445 1.00 54.35 H new ATOM 0 HD13 LEU A 14 -5.044 -9.768 0.634 1.00 54.35 H new ATOM 0 HD21 LEU A 14 -8.083 -9.226 0.848 1.00 44.43 H new ATOM 0 HD22 LEU A 14 -7.346 -10.801 1.225 1.00 44.43 H new ATOM 0 HD23 LEU A 14 -8.354 -9.977 2.438 1.00 44.43 H new ATOM 228 N GLU A 15 -6.778 -12.599 4.270 1.00 70.40 N ATOM 229 CA GLU A 15 -7.473 -13.873 4.031 1.00 54.44 C ATOM 230 C GLU A 15 -8.246 -14.354 5.274 1.00 53.30 C ATOM 231 O GLU A 15 -9.438 -14.663 5.208 1.00 4.31 O ATOM 232 CB GLU A 15 -6.455 -14.951 3.628 1.00 54.15 C ATOM 233 CG GLU A 15 -5.531 -14.547 2.481 1.00 50.14 C ATOM 234 CD GLU A 15 -4.444 -15.580 2.219 1.00 53.23 C ATOM 235 OE1 GLU A 15 -3.597 -15.799 3.114 1.00 0.13 O ATOM 236 OE2 GLU A 15 -4.440 -16.188 1.130 1.00 13.41 O ATOM 0 H GLU A 15 -5.763 -12.683 4.328 1.00 70.40 H new ATOM 0 HA GLU A 15 -8.192 -13.706 3.229 1.00 54.44 H new ATOM 0 HB2 GLU A 15 -5.847 -15.203 4.497 1.00 54.15 H new ATOM 0 HB3 GLU A 15 -6.994 -15.855 3.343 1.00 54.15 H new ATOM 0 HG2 GLU A 15 -6.121 -14.407 1.575 1.00 50.14 H new ATOM 0 HG3 GLU A 15 -5.068 -13.587 2.712 1.00 50.14 H new ATOM 243 N TRP A 16 -7.547 -14.417 6.401 1.00 30.15 N ATOM 244 CA TRP A 16 -8.094 -14.968 7.649 1.00 75.42 C ATOM 245 C TRP A 16 -8.786 -13.895 8.505 1.00 34.31 C ATOM 246 O TRP A 16 -9.838 -14.145 9.095 1.00 1.43 O ATOM 247 CB TRP A 16 -6.961 -15.620 8.455 1.00 21.33 C ATOM 248 CG TRP A 16 -6.231 -16.694 7.698 1.00 13.25 C ATOM 249 CD1 TRP A 16 -5.313 -16.515 6.704 1.00 52.43 C ATOM 250 CD2 TRP A 16 -6.356 -18.109 7.876 1.00 41.43 C ATOM 251 NE1 TRP A 16 -4.869 -17.729 6.248 1.00 20.21 N ATOM 252 CE2 TRP A 16 -5.490 -18.724 6.954 1.00 45.04 C ATOM 253 CE3 TRP A 16 -7.115 -18.912 8.728 1.00 63.23 C ATOM 254 CZ2 TRP A 16 -5.369 -20.107 6.857 1.00 24.43 C ATOM 255 CZ3 TRP A 16 -6.993 -20.285 8.631 1.00 64.40 C ATOM 256 CH2 TRP A 16 -6.123 -20.871 7.703 1.00 71.42 C ATOM 0 H TRP A 16 -6.585 -14.089 6.482 1.00 30.15 H new ATOM 0 HA TRP A 16 -8.848 -15.709 7.383 1.00 75.42 H new ATOM 0 HB2 TRP A 16 -6.250 -14.851 8.756 1.00 21.33 H new ATOM 0 HB3 TRP A 16 -7.374 -16.047 9.369 1.00 21.33 H new ATOM 0 HD1 TRP A 16 -4.984 -15.556 6.331 1.00 52.43 H new ATOM 0 HE1 TRP A 16 -4.186 -17.868 5.503 1.00 20.21 H new ATOM 0 HE3 TRP A 16 -7.785 -18.469 9.450 1.00 63.23 H new ATOM 0 HZ2 TRP A 16 -4.703 -20.561 6.138 1.00 24.43 H new ATOM 0 HZ3 TRP A 16 -7.579 -20.917 9.282 1.00 64.40 H new ATOM 0 HH2 TRP A 16 -6.046 -21.947 7.655 1.00 71.42 H new ATOM 267 N GLY A 17 -8.186 -12.710 8.572 1.00 13.21 N ATOM 268 CA GLY A 17 -8.721 -11.640 9.410 1.00 71.43 C ATOM 269 C GLY A 17 -9.955 -10.952 8.822 1.00 52.02 C ATOM 270 O GLY A 17 -11.058 -11.503 8.848 1.00 45.42 O ATOM 0 H GLY A 17 -7.337 -12.467 8.062 1.00 13.21 H new ATOM 0 HA2 GLY A 17 -8.976 -12.050 10.387 1.00 71.43 H new ATOM 0 HA3 GLY A 17 -7.943 -10.894 9.571 1.00 71.43 H new ATOM 274 N GLU A 18 -9.767 -9.745 8.294 1.00 70.21 N ATOM 275 CA GLU A 18 -10.872 -8.951 7.740 1.00 1.42 C ATOM 276 C GLU A 18 -10.355 -7.854 6.787 1.00 74.42 C ATOM 277 O GLU A 18 -9.530 -7.022 7.176 1.00 61.05 O ATOM 278 CB GLU A 18 -11.682 -8.315 8.880 1.00 61.22 C ATOM 279 CG GLU A 18 -12.844 -7.447 8.403 1.00 11.41 C ATOM 280 CD GLU A 18 -13.625 -6.832 9.551 1.00 4.11 C ATOM 281 OE1 GLU A 18 -13.122 -5.873 10.174 1.00 11.31 O ATOM 282 OE2 GLU A 18 -14.741 -7.309 9.845 1.00 13.44 O ATOM 0 H GLU A 18 -8.856 -9.289 8.236 1.00 70.21 H new ATOM 0 HA GLU A 18 -11.513 -9.620 7.166 1.00 1.42 H new ATOM 0 HB2 GLU A 18 -12.071 -9.106 9.521 1.00 61.22 H new ATOM 0 HB3 GLU A 18 -11.015 -7.708 9.492 1.00 61.22 H new ATOM 0 HG2 GLU A 18 -12.460 -6.652 7.763 1.00 11.41 H new ATOM 0 HG3 GLU A 18 -13.517 -8.050 7.793 1.00 11.41 H new ATOM 289 N PRO A 19 -10.840 -7.828 5.527 1.00 24.52 N ATOM 290 CA PRO A 19 -10.408 -6.843 4.514 1.00 4.21 C ATOM 291 C PRO A 19 -10.995 -5.425 4.727 1.00 43.15 C ATOM 292 O PRO A 19 -11.275 -4.714 3.760 1.00 51.23 O ATOM 293 CB PRO A 19 -10.920 -7.448 3.184 1.00 73.12 C ATOM 294 CG PRO A 19 -11.431 -8.815 3.523 1.00 31.10 C ATOM 295 CD PRO A 19 -11.827 -8.761 4.969 1.00 3.12 C ATOM 0 HA PRO A 19 -9.330 -6.690 4.553 1.00 4.21 H new ATOM 0 HB2 PRO A 19 -11.709 -6.832 2.753 1.00 73.12 H new ATOM 0 HB3 PRO A 19 -10.120 -7.502 2.446 1.00 73.12 H new ATOM 0 HG2 PRO A 19 -12.282 -9.081 2.895 1.00 31.10 H new ATOM 0 HG3 PRO A 19 -10.664 -9.571 3.356 1.00 31.10 H new ATOM 0 HD2 PRO A 19 -12.847 -8.400 5.098 1.00 3.12 H new ATOM 0 HD3 PRO A 19 -11.774 -9.741 5.443 1.00 3.12 H new ATOM 303 N ALA A 20 -11.136 -4.998 5.986 1.00 73.54 N ATOM 304 CA ALA A 20 -11.686 -3.667 6.300 1.00 63.32 C ATOM 305 C ALA A 20 -10.613 -2.564 6.221 1.00 60.42 C ATOM 306 O ALA A 20 -10.866 -1.404 6.557 1.00 64.50 O ATOM 307 CB ALA A 20 -12.326 -3.685 7.682 1.00 72.41 C ATOM 0 H ALA A 20 -10.879 -5.550 6.805 1.00 73.54 H new ATOM 0 HA ALA A 20 -12.443 -3.435 5.551 1.00 63.32 H new ATOM 0 HB1 ALA A 20 -12.731 -2.699 7.908 1.00 72.41 H new ATOM 0 HB2 ALA A 20 -13.130 -4.420 7.701 1.00 72.41 H new ATOM 0 HB3 ALA A 20 -11.576 -3.949 8.427 1.00 72.41 H new ATOM 313 N PHE A 21 -9.412 -2.936 5.784 1.00 12.40 N ATOM 314 CA PHE A 21 -8.310 -1.984 5.596 1.00 51.33 C ATOM 315 C PHE A 21 -8.115 -1.655 4.105 1.00 62.32 C ATOM 316 O PHE A 21 -8.532 -2.417 3.230 1.00 4.32 O ATOM 317 CB PHE A 21 -7.012 -2.551 6.194 1.00 32.13 C ATOM 318 CG PHE A 21 -6.609 -3.894 5.624 1.00 71.51 C ATOM 319 CD1 PHE A 21 -7.082 -5.073 6.187 1.00 13.14 C ATOM 320 CD2 PHE A 21 -5.760 -3.977 4.529 1.00 42.52 C ATOM 321 CE1 PHE A 21 -6.719 -6.301 5.667 1.00 13.30 C ATOM 322 CE2 PHE A 21 -5.396 -5.203 4.008 1.00 12.32 C ATOM 323 CZ PHE A 21 -5.874 -6.365 4.580 1.00 12.33 C ATOM 0 H PHE A 21 -9.172 -3.899 5.550 1.00 12.40 H new ATOM 0 HA PHE A 21 -8.564 -1.060 6.116 1.00 51.33 H new ATOM 0 HB2 PHE A 21 -6.204 -1.839 6.025 1.00 32.13 H new ATOM 0 HB3 PHE A 21 -7.132 -2.647 7.273 1.00 32.13 H new ATOM 0 HD1 PHE A 21 -7.741 -5.029 7.041 1.00 13.14 H new ATOM 0 HD2 PHE A 21 -5.380 -3.072 4.079 1.00 42.52 H new ATOM 0 HE1 PHE A 21 -7.097 -7.210 6.112 1.00 13.30 H new ATOM 0 HE2 PHE A 21 -4.738 -5.253 3.153 1.00 12.32 H new ATOM 0 HZ PHE A 21 -5.586 -7.324 4.176 1.00 12.33 H new ATOM 333 N THR A 22 -7.478 -0.524 3.817 1.00 44.13 N ATOM 334 CA THR A 22 -7.271 -0.082 2.430 1.00 1.42 C ATOM 335 C THR A 22 -5.779 -0.024 2.073 1.00 20.24 C ATOM 336 O THR A 22 -5.019 0.744 2.661 1.00 43.50 O ATOM 337 CB THR A 22 -7.896 1.315 2.190 1.00 25.51 C ATOM 338 OG1 THR A 22 -9.284 1.300 2.557 1.00 75.24 O ATOM 339 CG2 THR A 22 -7.758 1.743 0.730 1.00 63.04 C ATOM 0 H THR A 22 -7.094 0.107 4.521 1.00 44.13 H new ATOM 0 HA THR A 22 -7.762 -0.816 1.791 1.00 1.42 H new ATOM 0 HB THR A 22 -7.359 2.033 2.809 1.00 25.51 H new ATOM 0 HG1 THR A 22 -9.710 2.130 2.258 1.00 75.24 H new ATOM 0 HG21 THR A 22 -8.207 2.727 0.595 1.00 63.04 H new ATOM 0 HG22 THR A 22 -6.702 1.785 0.462 1.00 63.04 H new ATOM 0 HG23 THR A 22 -8.266 1.022 0.090 1.00 63.04 H new ATOM 347 N ILE A 23 -5.364 -0.839 1.102 1.00 64.32 N ATOM 348 CA ILE A 23 -3.967 -0.859 0.648 1.00 14.32 C ATOM 349 C ILE A 23 -3.744 0.128 -0.510 1.00 70.44 C ATOM 350 O ILE A 23 -4.464 0.101 -1.508 1.00 15.32 O ATOM 351 CB ILE A 23 -3.537 -2.279 0.187 1.00 40.14 C ATOM 352 CG1 ILE A 23 -3.724 -3.297 1.326 1.00 10.34 C ATOM 353 CG2 ILE A 23 -2.083 -2.269 -0.297 1.00 65.33 C ATOM 354 CD1 ILE A 23 -3.351 -4.716 0.947 1.00 21.13 C ATOM 0 H ILE A 23 -5.973 -1.495 0.613 1.00 64.32 H new ATOM 0 HA ILE A 23 -3.357 -0.561 1.501 1.00 14.32 H new ATOM 0 HB ILE A 23 -4.173 -2.578 -0.646 1.00 40.14 H new ATOM 0 HG12 ILE A 23 -3.120 -2.988 2.179 1.00 10.34 H new ATOM 0 HG13 ILE A 23 -4.765 -3.279 1.649 1.00 10.34 H new ATOM 0 HG21 ILE A 23 -1.799 -3.272 -0.616 1.00 65.33 H new ATOM 0 HG22 ILE A 23 -1.983 -1.580 -1.135 1.00 65.33 H new ATOM 0 HG23 ILE A 23 -1.431 -1.948 0.516 1.00 65.33 H new ATOM 0 HD11 ILE A 23 -3.510 -5.374 1.801 1.00 21.13 H new ATOM 0 HD12 ILE A 23 -3.972 -5.046 0.114 1.00 21.13 H new ATOM 0 HD13 ILE A 23 -2.302 -4.750 0.653 1.00 21.13 H new ATOM 366 N LEU A 24 -2.744 0.996 -0.374 1.00 71.01 N ATOM 367 CA LEU A 24 -2.420 1.974 -1.417 1.00 12.55 C ATOM 368 C LEU A 24 -1.104 1.625 -2.128 1.00 3.21 C ATOM 369 O LEU A 24 -0.078 1.363 -1.487 1.00 63.23 O ATOM 370 CB LEU A 24 -2.341 3.390 -0.823 1.00 22.21 C ATOM 371 CG LEU A 24 -3.625 3.882 -0.133 1.00 23.23 C ATOM 372 CD1 LEU A 24 -3.505 5.356 0.249 1.00 54.10 C ATOM 373 CD2 LEU A 24 -4.840 3.644 -1.024 1.00 54.00 C ATOM 0 H LEU A 24 -2.142 1.044 0.448 1.00 71.01 H new ATOM 0 HA LEU A 24 -3.220 1.943 -2.156 1.00 12.55 H new ATOM 0 HB2 LEU A 24 -1.525 3.419 -0.101 1.00 22.21 H new ATOM 0 HB3 LEU A 24 -2.086 4.088 -1.620 1.00 22.21 H new ATOM 0 HG LEU A 24 -3.762 3.309 0.784 1.00 23.23 H new ATOM 0 HD11 LEU A 24 -4.424 5.682 0.735 1.00 54.10 H new ATOM 0 HD12 LEU A 24 -2.666 5.488 0.933 1.00 54.10 H new ATOM 0 HD13 LEU A 24 -3.338 5.952 -0.648 1.00 54.10 H new ATOM 0 HD21 LEU A 24 -5.738 3.999 -0.518 1.00 54.00 H new ATOM 0 HD22 LEU A 24 -4.715 4.185 -1.962 1.00 54.00 H new ATOM 0 HD23 LEU A 24 -4.937 2.578 -1.230 1.00 54.00 H new ATOM 385 N ASP A 25 -1.154 1.624 -3.458 1.00 72.34 N ATOM 386 CA ASP A 25 0.009 1.318 -4.291 1.00 15.21 C ATOM 387 C ASP A 25 0.755 2.606 -4.663 1.00 65.05 C ATOM 388 O ASP A 25 0.330 3.338 -5.558 1.00 50.44 O ATOM 389 CB ASP A 25 -0.459 0.602 -5.561 1.00 73.14 C ATOM 390 CG ASP A 25 0.664 -0.098 -6.297 1.00 14.12 C ATOM 391 OD1 ASP A 25 1.688 0.543 -6.618 1.00 23.44 O ATOM 392 OD2 ASP A 25 0.516 -1.301 -6.567 1.00 1.21 O ATOM 0 H ASP A 25 -1.999 1.835 -3.989 1.00 72.34 H new ATOM 0 HA ASP A 25 0.690 0.674 -3.734 1.00 15.21 H new ATOM 0 HB2 ASP A 25 -1.224 -0.129 -5.298 1.00 73.14 H new ATOM 0 HB3 ASP A 25 -0.926 1.326 -6.228 1.00 73.14 H new ATOM 397 N VAL A 26 1.865 2.878 -3.984 1.00 1.33 N ATOM 398 CA VAL A 26 2.587 4.140 -4.180 1.00 30.22 C ATOM 399 C VAL A 26 3.789 3.979 -5.124 1.00 34.44 C ATOM 400 O VAL A 26 4.558 4.920 -5.324 1.00 61.15 O ATOM 401 CB VAL A 26 3.041 4.728 -2.820 1.00 71.34 C ATOM 402 CG1 VAL A 26 1.824 4.969 -1.929 1.00 74.33 C ATOM 403 CG2 VAL A 26 4.054 3.811 -2.134 1.00 43.02 C ATOM 0 H VAL A 26 2.285 2.251 -3.298 1.00 1.33 H new ATOM 0 HA VAL A 26 1.894 4.836 -4.652 1.00 30.22 H new ATOM 0 HB VAL A 26 3.537 5.682 -2.999 1.00 71.34 H new ATOM 0 HG11 VAL A 26 2.148 5.382 -0.974 1.00 74.33 H new ATOM 0 HG12 VAL A 26 1.149 5.671 -2.418 1.00 74.33 H new ATOM 0 HG13 VAL A 26 1.305 4.026 -1.759 1.00 74.33 H new ATOM 0 HG21 VAL A 26 4.355 4.249 -1.182 1.00 43.02 H new ATOM 0 HG22 VAL A 26 3.601 2.836 -1.958 1.00 43.02 H new ATOM 0 HG23 VAL A 26 4.930 3.694 -2.772 1.00 43.02 H new ATOM 413 N ARG A 27 3.926 2.796 -5.728 1.00 41.32 N ATOM 414 CA ARG A 27 5.024 2.528 -6.668 1.00 20.23 C ATOM 415 C ARG A 27 4.933 3.428 -7.904 1.00 73.02 C ATOM 416 O ARG A 27 5.727 4.350 -8.082 1.00 35.54 O ATOM 417 CB ARG A 27 5.006 1.061 -7.119 1.00 43.11 C ATOM 418 CG ARG A 27 5.260 0.053 -6.008 1.00 53.01 C ATOM 419 CD ARG A 27 5.012 -1.372 -6.493 1.00 14.54 C ATOM 420 NE ARG A 27 3.649 -1.540 -6.959 1.00 55.11 N ATOM 421 CZ ARG A 27 3.295 -2.403 -7.854 1.00 63.13 C ATOM 422 NH1 ARG A 27 4.150 -3.246 -8.332 1.00 3.54 N ATOM 423 NH2 ARG A 27 2.085 -2.423 -8.272 1.00 2.45 N ATOM 0 H ARG A 27 3.294 2.009 -5.585 1.00 41.32 H new ATOM 0 HA ARG A 27 5.955 2.740 -6.143 1.00 20.23 H new ATOM 0 HB2 ARG A 27 4.038 0.846 -7.572 1.00 43.11 H new ATOM 0 HB3 ARG A 27 5.759 0.924 -7.895 1.00 43.11 H new ATOM 0 HG2 ARG A 27 6.287 0.147 -5.655 1.00 53.01 H new ATOM 0 HG3 ARG A 27 4.611 0.270 -5.160 1.00 53.01 H new ATOM 0 HD2 ARG A 27 5.706 -1.610 -7.299 1.00 14.54 H new ATOM 0 HD3 ARG A 27 5.211 -2.074 -5.683 1.00 14.54 H new ATOM 0 HE ARG A 27 2.927 -0.942 -6.557 1.00 55.11 H new ATOM 0 HH11 ARG A 27 5.116 -3.235 -8.003 1.00 3.54 H new ATOM 0 HH12 ARG A 27 3.859 -3.922 -9.038 1.00 3.54 H new ATOM 0 HH21 ARG A 27 1.406 -1.760 -7.899 1.00 2.45 H new ATOM 0 HH22 ARG A 27 1.801 -3.102 -8.978 1.00 2.45 H new ATOM 437 N ASP A 28 3.945 3.147 -8.746 1.00 61.20 N ATOM 438 CA ASP A 28 3.761 3.858 -10.010 1.00 72.33 C ATOM 439 C ASP A 28 2.451 3.422 -10.669 1.00 64.41 C ATOM 440 O ASP A 28 2.012 2.286 -10.499 1.00 41.04 O ATOM 441 CB ASP A 28 4.938 3.569 -10.951 1.00 44.55 C ATOM 442 CG ASP A 28 4.852 4.320 -12.263 1.00 44.21 C ATOM 443 OD1 ASP A 28 5.195 5.519 -12.295 1.00 61.44 O ATOM 444 OD2 ASP A 28 4.433 3.718 -13.270 1.00 52.31 O ATOM 0 H ASP A 28 3.249 2.421 -8.574 1.00 61.20 H new ATOM 0 HA ASP A 28 3.720 4.929 -9.810 1.00 72.33 H new ATOM 0 HB2 ASP A 28 5.869 3.833 -10.449 1.00 44.55 H new ATOM 0 HB3 ASP A 28 4.978 2.499 -11.154 1.00 44.55 H new ATOM 449 N ARG A 29 1.838 4.324 -11.421 1.00 55.51 N ATOM 450 CA ARG A 29 0.602 4.021 -12.143 1.00 33.02 C ATOM 451 C ARG A 29 0.771 2.785 -13.055 1.00 12.30 C ATOM 452 O ARG A 29 -0.060 1.869 -13.050 1.00 42.43 O ATOM 453 CB ARG A 29 0.171 5.241 -12.967 1.00 32.20 C ATOM 454 CG ARG A 29 -1.100 5.013 -13.767 1.00 34.43 C ATOM 455 CD ARG A 29 -2.326 4.863 -12.871 1.00 3.12 C ATOM 456 NE ARG A 29 -3.499 4.415 -13.619 1.00 71.31 N ATOM 457 CZ ARG A 29 -4.708 4.874 -13.446 1.00 21.32 C ATOM 458 NH1 ARG A 29 -4.937 5.829 -12.601 1.00 52.13 N ATOM 459 NH2 ARG A 29 -5.687 4.376 -14.133 1.00 73.23 N ATOM 0 H ARG A 29 2.175 5.278 -11.550 1.00 55.51 H new ATOM 0 HA ARG A 29 -0.173 3.788 -11.413 1.00 33.02 H new ATOM 0 HB2 ARG A 29 0.022 6.088 -12.297 1.00 32.20 H new ATOM 0 HB3 ARG A 29 0.977 5.512 -13.649 1.00 32.20 H new ATOM 0 HG2 ARG A 29 -1.252 5.848 -14.451 1.00 34.43 H new ATOM 0 HG3 ARG A 29 -0.987 4.118 -14.378 1.00 34.43 H new ATOM 0 HD2 ARG A 29 -2.109 4.150 -12.076 1.00 3.12 H new ATOM 0 HD3 ARG A 29 -2.544 5.818 -12.392 1.00 3.12 H new ATOM 0 HE ARG A 29 -3.363 3.693 -14.326 1.00 71.31 H new ATOM 0 HH11 ARG A 29 -4.168 6.229 -12.063 1.00 52.13 H new ATOM 0 HH12 ARG A 29 -5.886 6.180 -12.473 1.00 52.13 H new ATOM 0 HH21 ARG A 29 -5.510 3.629 -14.805 1.00 73.23 H new ATOM 0 HH22 ARG A 29 -6.634 4.731 -14.002 1.00 73.23 H new ATOM 473 N SER A 30 1.863 2.754 -13.818 1.00 51.42 N ATOM 474 CA SER A 30 2.153 1.625 -14.707 1.00 3.04 C ATOM 475 C SER A 30 2.540 0.394 -13.899 1.00 42.41 C ATOM 476 O SER A 30 1.996 -0.686 -14.108 1.00 51.14 O ATOM 477 CB SER A 30 3.279 1.965 -15.693 1.00 21.21 C ATOM 478 OG SER A 30 3.629 0.839 -16.492 1.00 11.42 O ATOM 0 H SER A 30 2.562 3.496 -13.840 1.00 51.42 H new ATOM 0 HA SER A 30 1.247 1.415 -15.275 1.00 3.04 H new ATOM 0 HB2 SER A 30 2.965 2.786 -16.337 1.00 21.21 H new ATOM 0 HB3 SER A 30 4.155 2.309 -15.143 1.00 21.21 H new ATOM 0 HG SER A 30 4.347 1.087 -17.111 1.00 11.42 H new ATOM 484 N THR A 31 3.476 0.565 -12.967 1.00 53.35 N ATOM 485 CA THR A 31 3.935 -0.543 -12.118 1.00 50.31 C ATOM 486 C THR A 31 2.758 -1.202 -11.378 1.00 71.12 C ATOM 487 O THR A 31 2.765 -2.410 -11.124 1.00 25.21 O ATOM 488 CB THR A 31 4.998 -0.071 -11.096 1.00 5.41 C ATOM 489 OG1 THR A 31 6.061 0.621 -11.773 1.00 40.21 O ATOM 490 CG2 THR A 31 5.585 -1.243 -10.321 1.00 73.50 C ATOM 0 H THR A 31 3.933 1.457 -12.778 1.00 53.35 H new ATOM 0 HA THR A 31 4.392 -1.281 -12.777 1.00 50.31 H new ATOM 0 HB THR A 31 4.503 0.599 -10.393 1.00 5.41 H new ATOM 0 HG1 THR A 31 6.728 0.917 -11.118 1.00 40.21 H new ATOM 0 HG21 THR A 31 6.328 -0.875 -9.613 1.00 73.50 H new ATOM 0 HG22 THR A 31 4.790 -1.756 -9.780 1.00 73.50 H new ATOM 0 HG23 THR A 31 6.058 -1.938 -11.015 1.00 73.50 H new ATOM 498 N TYR A 32 1.742 -0.400 -11.047 1.00 73.11 N ATOM 499 CA TYR A 32 0.487 -0.919 -10.491 1.00 34.44 C ATOM 500 C TYR A 32 -0.189 -1.863 -11.489 1.00 41.00 C ATOM 501 O TYR A 32 -0.567 -2.985 -11.146 1.00 54.13 O ATOM 502 CB TYR A 32 -0.468 0.232 -10.128 1.00 2.51 C ATOM 503 CG TYR A 32 -1.868 -0.224 -9.735 1.00 45.34 C ATOM 504 CD1 TYR A 32 -2.136 -0.694 -8.454 1.00 14.45 C ATOM 505 CD2 TYR A 32 -2.919 -0.192 -10.650 1.00 54.03 C ATOM 506 CE1 TYR A 32 -3.402 -1.118 -8.096 1.00 65.51 C ATOM 507 CE2 TYR A 32 -4.188 -0.614 -10.297 1.00 5.42 C ATOM 508 CZ TYR A 32 -4.424 -1.076 -9.021 1.00 71.04 C ATOM 509 OH TYR A 32 -5.686 -1.502 -8.669 1.00 73.21 O ATOM 0 H TYR A 32 1.763 0.614 -11.154 1.00 73.11 H new ATOM 0 HA TYR A 32 0.723 -1.473 -9.583 1.00 34.44 H new ATOM 0 HB2 TYR A 32 -0.038 0.801 -9.304 1.00 2.51 H new ATOM 0 HB3 TYR A 32 -0.543 0.910 -10.978 1.00 2.51 H new ATOM 0 HD1 TYR A 32 -1.340 -0.728 -7.725 1.00 14.45 H new ATOM 0 HD2 TYR A 32 -2.739 0.169 -11.652 1.00 54.03 H new ATOM 0 HE1 TYR A 32 -3.590 -1.481 -7.096 1.00 65.51 H new ATOM 0 HE2 TYR A 32 -4.991 -0.581 -11.019 1.00 5.42 H new ATOM 0 HH TYR A 32 -5.742 -1.589 -7.694 1.00 73.21 H new ATOM 519 N ASN A 33 -0.338 -1.401 -12.727 1.00 34.42 N ATOM 520 CA ASN A 33 -0.929 -2.220 -13.788 1.00 1.42 C ATOM 521 C ASN A 33 -0.092 -3.485 -14.068 1.00 42.51 C ATOM 522 O ASN A 33 -0.644 -4.572 -14.224 1.00 53.12 O ATOM 523 CB ASN A 33 -1.094 -1.397 -15.069 1.00 72.32 C ATOM 524 CG ASN A 33 -2.053 -0.230 -14.892 1.00 43.55 C ATOM 525 OD1 ASN A 33 -2.981 -0.284 -14.087 1.00 3.34 O ATOM 526 ND2 ASN A 33 -1.849 0.828 -15.646 1.00 54.50 N ATOM 0 H ASN A 33 -0.059 -0.466 -13.023 1.00 34.42 H new ATOM 0 HA ASN A 33 -1.911 -2.544 -13.444 1.00 1.42 H new ATOM 0 HB2 ASN A 33 -0.121 -1.019 -15.382 1.00 72.32 H new ATOM 0 HB3 ASN A 33 -1.457 -2.043 -15.868 1.00 72.32 H new ATOM 0 HD21 ASN A 33 -2.470 1.634 -15.572 1.00 54.50 H new ATOM 0 HD22 ASN A 33 -1.070 0.842 -16.305 1.00 54.50 H new ATOM 533 N ASP A 34 1.236 -3.340 -14.121 1.00 75.43 N ATOM 534 CA ASP A 34 2.133 -4.471 -14.386 1.00 53.02 C ATOM 535 C ASP A 34 1.981 -5.588 -13.336 1.00 10.14 C ATOM 536 O ASP A 34 1.835 -6.759 -13.693 1.00 33.24 O ATOM 537 CB ASP A 34 3.591 -3.994 -14.431 1.00 51.15 C ATOM 538 CG ASP A 34 3.843 -2.976 -15.530 1.00 4.34 C ATOM 539 OD1 ASP A 34 3.594 -3.292 -16.709 1.00 2.12 O ATOM 540 OD2 ASP A 34 4.313 -1.858 -15.229 1.00 73.13 O ATOM 0 H ASP A 34 1.715 -2.450 -13.984 1.00 75.43 H new ATOM 0 HA ASP A 34 1.854 -4.885 -15.355 1.00 53.02 H new ATOM 0 HB2 ASP A 34 3.855 -3.556 -13.469 1.00 51.15 H new ATOM 0 HB3 ASP A 34 4.245 -4.853 -14.581 1.00 51.15 H new ATOM 545 N GLY A 35 1.996 -5.229 -12.048 1.00 11.42 N ATOM 546 CA GLY A 35 1.741 -6.215 -10.997 1.00 63.13 C ATOM 547 C GLY A 35 1.512 -5.574 -9.643 1.00 52.10 C ATOM 548 O GLY A 35 2.241 -4.670 -9.275 1.00 43.43 O ATOM 0 H GLY A 35 2.178 -4.283 -11.714 1.00 11.42 H new ATOM 0 HA2 GLY A 35 0.868 -6.810 -11.266 1.00 63.13 H new ATOM 0 HA3 GLY A 35 2.587 -6.900 -10.933 1.00 63.13 H new ATOM 552 N HIS A 36 0.520 -6.050 -8.889 1.00 1.10 N ATOM 553 CA HIS A 36 0.136 -5.403 -7.624 1.00 43.50 C ATOM 554 C HIS A 36 -0.624 -6.358 -6.687 1.00 52.21 C ATOM 555 O HIS A 36 -1.209 -7.345 -7.131 1.00 21.25 O ATOM 556 CB HIS A 36 -0.737 -4.169 -7.908 1.00 0.10 C ATOM 557 CG HIS A 36 -2.073 -4.483 -8.531 1.00 44.41 C ATOM 558 ND1 HIS A 36 -2.274 -4.547 -9.894 1.00 71.20 N ATOM 559 CD2 HIS A 36 -3.284 -4.731 -7.970 1.00 5.21 C ATOM 560 CE1 HIS A 36 -3.541 -4.816 -10.144 1.00 52.43 C ATOM 561 NE2 HIS A 36 -4.175 -4.935 -8.995 1.00 64.33 N ATOM 0 H HIS A 36 -0.031 -6.875 -9.126 1.00 1.10 H new ATOM 0 HA HIS A 36 1.057 -5.106 -7.123 1.00 43.50 H new ATOM 0 HB2 HIS A 36 -0.902 -3.633 -6.973 1.00 0.10 H new ATOM 0 HB3 HIS A 36 -0.190 -3.496 -8.569 1.00 0.10 H new ATOM 0 HD1 HIS A 36 -1.552 -4.408 -10.601 1.00 71.20 H new ATOM 0 HD2 HIS A 36 -3.506 -4.762 -6.913 1.00 5.21 H new ATOM 0 HE1 HIS A 36 -3.983 -4.921 -11.124 1.00 52.43 H new ATOM 0 HE2 HIS A 36 -5.167 -5.145 -8.885 1.00 64.33 H new ATOM 570 N ILE A 37 -0.635 -6.031 -5.393 1.00 61.02 N ATOM 571 CA ILE A 37 -1.411 -6.790 -4.403 1.00 15.12 C ATOM 572 C ILE A 37 -2.907 -6.764 -4.750 1.00 53.41 C ATOM 573 O ILE A 37 -3.467 -5.697 -5.017 1.00 62.41 O ATOM 574 CB ILE A 37 -1.217 -6.213 -2.974 1.00 55.03 C ATOM 575 CG1 ILE A 37 0.247 -6.362 -2.527 1.00 3.53 C ATOM 576 CG2 ILE A 37 -2.164 -6.883 -1.976 1.00 61.31 C ATOM 577 CD1 ILE A 37 0.530 -5.794 -1.150 1.00 61.55 C ATOM 0 H ILE A 37 -0.115 -5.245 -5.003 1.00 61.02 H new ATOM 0 HA ILE A 37 -1.047 -7.817 -4.426 1.00 15.12 H new ATOM 0 HB ILE A 37 -1.461 -5.151 -3.001 1.00 55.03 H new ATOM 0 HG12 ILE A 37 0.513 -7.419 -2.535 1.00 3.53 H new ATOM 0 HG13 ILE A 37 0.891 -5.866 -3.253 1.00 3.53 H new ATOM 0 HG21 ILE A 37 -2.006 -6.460 -0.984 1.00 61.31 H new ATOM 0 HG22 ILE A 37 -3.196 -6.713 -2.283 1.00 61.31 H new ATOM 0 HG23 ILE A 37 -1.965 -7.954 -1.949 1.00 61.31 H new ATOM 0 HD11 ILE A 37 1.583 -5.937 -0.907 1.00 61.55 H new ATOM 0 HD12 ILE A 37 0.297 -4.729 -1.141 1.00 61.55 H new ATOM 0 HD13 ILE A 37 -0.086 -6.307 -0.411 1.00 61.55 H new ATOM 589 N MET A 38 -3.554 -7.929 -4.746 1.00 15.45 N ATOM 590 CA MET A 38 -4.976 -8.002 -5.087 1.00 14.05 C ATOM 591 C MET A 38 -5.831 -7.216 -4.081 1.00 52.34 C ATOM 592 O MET A 38 -5.937 -7.586 -2.909 1.00 24.33 O ATOM 593 CB MET A 38 -5.455 -9.458 -5.174 1.00 70.53 C ATOM 594 CG MET A 38 -6.939 -9.578 -5.510 1.00 1.44 C ATOM 595 SD MET A 38 -7.405 -11.214 -6.113 1.00 61.23 S ATOM 596 CE MET A 38 -6.989 -12.232 -4.706 1.00 2.14 C ATOM 0 H MET A 38 -3.124 -8.824 -4.514 1.00 15.45 H new ATOM 0 HA MET A 38 -5.097 -7.545 -6.069 1.00 14.05 H new ATOM 0 HB2 MET A 38 -4.873 -9.982 -5.932 1.00 70.53 H new ATOM 0 HB3 MET A 38 -5.262 -9.956 -4.224 1.00 70.53 H new ATOM 0 HG2 MET A 38 -7.526 -9.345 -4.621 1.00 1.44 H new ATOM 0 HG3 MET A 38 -7.195 -8.834 -6.264 1.00 1.44 H new ATOM 0 HE1 MET A 38 -6.123 -12.848 -4.946 1.00 2.14 H new ATOM 0 HE2 MET A 38 -6.756 -11.595 -3.852 1.00 2.14 H new ATOM 0 HE3 MET A 38 -7.834 -12.875 -4.459 1.00 2.14 H new ATOM 606 N GLY A 39 -6.439 -6.129 -4.555 1.00 43.43 N ATOM 607 CA GLY A 39 -7.239 -5.265 -3.691 1.00 4.33 C ATOM 608 C GLY A 39 -6.619 -3.884 -3.475 1.00 24.21 C ATOM 609 O GLY A 39 -7.259 -2.990 -2.917 1.00 44.34 O ATOM 0 H GLY A 39 -6.393 -5.828 -5.528 1.00 43.43 H new ATOM 0 HA2 GLY A 39 -8.231 -5.146 -4.126 1.00 4.33 H new ATOM 0 HA3 GLY A 39 -7.371 -5.751 -2.725 1.00 4.33 H new ATOM 613 N ALA A 40 -5.377 -3.700 -3.925 1.00 14.02 N ATOM 614 CA ALA A 40 -4.678 -2.418 -3.764 1.00 34.43 C ATOM 615 C ALA A 40 -5.231 -1.328 -4.699 1.00 71.41 C ATOM 616 O ALA A 40 -5.717 -1.612 -5.796 1.00 3.33 O ATOM 617 CB ALA A 40 -3.183 -2.588 -3.991 1.00 55.32 C ATOM 0 H ALA A 40 -4.833 -4.418 -4.403 1.00 14.02 H new ATOM 0 HA ALA A 40 -4.852 -2.091 -2.739 1.00 34.43 H new ATOM 0 HB1 ALA A 40 -2.685 -1.627 -3.867 1.00 55.32 H new ATOM 0 HB2 ALA A 40 -2.784 -3.300 -3.268 1.00 55.32 H new ATOM 0 HB3 ALA A 40 -3.008 -2.960 -5.001 1.00 55.32 H new ATOM 623 N MET A 41 -5.130 -0.080 -4.256 1.00 13.22 N ATOM 624 CA MET A 41 -5.662 1.066 -5.002 1.00 54.51 C ATOM 625 C MET A 41 -4.588 1.726 -5.876 1.00 62.30 C ATOM 626 O MET A 41 -3.406 1.730 -5.530 1.00 24.55 O ATOM 627 CB MET A 41 -6.216 2.088 -4.012 1.00 71.33 C ATOM 628 CG MET A 41 -7.297 1.523 -3.107 1.00 34.55 C ATOM 629 SD MET A 41 -8.913 1.440 -3.906 1.00 22.45 S ATOM 630 CE MET A 41 -9.240 3.178 -4.203 1.00 42.41 C ATOM 0 H MET A 41 -4.681 0.170 -3.375 1.00 13.22 H new ATOM 0 HA MET A 41 -6.451 0.707 -5.663 1.00 54.51 H new ATOM 0 HB2 MET A 41 -5.400 2.468 -3.398 1.00 71.33 H new ATOM 0 HB3 MET A 41 -6.621 2.936 -4.564 1.00 71.33 H new ATOM 0 HG2 MET A 41 -7.006 0.524 -2.783 1.00 34.55 H new ATOM 0 HG3 MET A 41 -7.372 2.139 -2.211 1.00 34.55 H new ATOM 0 HE1 MET A 41 -10.316 3.349 -4.212 1.00 42.41 H new ATOM 0 HE2 MET A 41 -8.785 3.774 -3.412 1.00 42.41 H new ATOM 0 HE3 MET A 41 -8.818 3.468 -5.165 1.00 42.41 H new ATOM 640 N ALA A 42 -5.012 2.305 -6.995 1.00 5.41 N ATOM 641 CA ALA A 42 -4.086 2.972 -7.916 1.00 35.44 C ATOM 642 C ALA A 42 -3.819 4.419 -7.483 1.00 1.14 C ATOM 643 O ALA A 42 -4.446 5.361 -7.972 1.00 20.24 O ATOM 644 CB ALA A 42 -4.614 2.926 -9.347 1.00 65.33 C ATOM 0 H ALA A 42 -5.988 2.328 -7.289 1.00 5.41 H new ATOM 0 HA ALA A 42 -3.140 2.432 -7.884 1.00 35.44 H new ATOM 0 HB1 ALA A 42 -3.910 3.427 -10.011 1.00 65.33 H new ATOM 0 HB2 ALA A 42 -4.731 1.888 -9.659 1.00 65.33 H new ATOM 0 HB3 ALA A 42 -5.579 3.430 -9.395 1.00 65.33 H new ATOM 650 N MET A 43 -2.898 4.582 -6.542 1.00 73.12 N ATOM 651 CA MET A 43 -2.531 5.903 -6.024 1.00 71.32 C ATOM 652 C MET A 43 -1.011 6.090 -6.034 1.00 22.24 C ATOM 653 O MET A 43 -0.338 5.888 -5.023 1.00 52.33 O ATOM 654 CB MET A 43 -3.109 6.095 -4.614 1.00 44.24 C ATOM 655 CG MET A 43 -4.615 6.300 -4.614 1.00 0.12 C ATOM 656 SD MET A 43 -5.368 6.124 -2.988 1.00 1.11 S ATOM 657 CE MET A 43 -7.093 6.347 -3.408 1.00 52.15 C ATOM 0 H MET A 43 -2.385 3.811 -6.116 1.00 73.12 H new ATOM 0 HA MET A 43 -2.958 6.666 -6.675 1.00 71.32 H new ATOM 0 HB2 MET A 43 -2.866 5.224 -4.006 1.00 44.24 H new ATOM 0 HB3 MET A 43 -2.631 6.955 -4.145 1.00 44.24 H new ATOM 0 HG2 MET A 43 -4.838 7.294 -5.002 1.00 0.12 H new ATOM 0 HG3 MET A 43 -5.071 5.582 -5.296 1.00 0.12 H new ATOM 0 HE1 MET A 43 -7.713 6.076 -2.554 1.00 52.15 H new ATOM 0 HE2 MET A 43 -7.272 7.390 -3.670 1.00 52.15 H new ATOM 0 HE3 MET A 43 -7.346 5.711 -4.256 1.00 52.15 H new ATOM 667 N PRO A 44 -0.457 6.490 -7.198 1.00 13.20 N ATOM 668 CA PRO A 44 0.997 6.623 -7.386 1.00 53.11 C ATOM 669 C PRO A 44 1.571 7.704 -6.459 1.00 42.34 C ATOM 670 O PRO A 44 0.973 8.760 -6.305 1.00 54.43 O ATOM 671 CB PRO A 44 1.141 7.006 -8.881 1.00 0.12 C ATOM 672 CG PRO A 44 -0.201 6.752 -9.496 1.00 30.04 C ATOM 673 CD PRO A 44 -1.210 6.898 -8.394 1.00 34.54 C ATOM 0 HA PRO A 44 1.547 5.715 -7.140 1.00 53.11 H new ATOM 0 HB2 PRO A 44 1.431 8.051 -8.991 1.00 0.12 H new ATOM 0 HB3 PRO A 44 1.913 6.408 -9.366 1.00 0.12 H new ATOM 0 HG2 PRO A 44 -0.400 7.461 -10.300 1.00 30.04 H new ATOM 0 HG3 PRO A 44 -0.245 5.754 -9.932 1.00 30.04 H new ATOM 0 HD2 PRO A 44 -1.573 7.923 -8.312 1.00 34.54 H new ATOM 0 HD3 PRO A 44 -2.081 6.264 -8.558 1.00 34.54 H new ATOM 681 N ILE A 45 2.730 7.439 -5.857 1.00 1.13 N ATOM 682 CA ILE A 45 3.273 8.272 -4.766 1.00 12.34 C ATOM 683 C ILE A 45 3.159 9.800 -5.008 1.00 24.23 C ATOM 684 O ILE A 45 2.865 10.557 -4.084 1.00 34.20 O ATOM 685 CB ILE A 45 4.744 7.886 -4.481 1.00 3.21 C ATOM 686 CG1 ILE A 45 5.260 8.588 -3.212 1.00 24.33 C ATOM 687 CG2 ILE A 45 5.636 8.198 -5.684 1.00 73.24 C ATOM 688 CD1 ILE A 45 6.619 8.103 -2.753 1.00 25.21 C ATOM 0 H ILE A 45 3.322 6.646 -6.105 1.00 1.13 H new ATOM 0 HA ILE A 45 2.650 8.063 -3.896 1.00 12.34 H new ATOM 0 HB ILE A 45 4.782 6.810 -4.308 1.00 3.21 H new ATOM 0 HG12 ILE A 45 5.311 9.661 -3.397 1.00 24.33 H new ATOM 0 HG13 ILE A 45 4.540 8.438 -2.407 1.00 24.33 H new ATOM 0 HG21 ILE A 45 6.664 7.917 -5.457 1.00 73.24 H new ATOM 0 HG22 ILE A 45 5.289 7.635 -6.550 1.00 73.24 H new ATOM 0 HG23 ILE A 45 5.591 9.265 -5.903 1.00 73.24 H new ATOM 0 HD11 ILE A 45 6.914 8.645 -1.854 1.00 25.21 H new ATOM 0 HD12 ILE A 45 6.570 7.036 -2.534 1.00 25.21 H new ATOM 0 HD13 ILE A 45 7.353 8.279 -3.540 1.00 25.21 H new ATOM 700 N GLU A 46 3.375 10.248 -6.244 1.00 2.32 N ATOM 701 CA GLU A 46 3.251 11.679 -6.582 1.00 20.12 C ATOM 702 C GLU A 46 1.781 12.131 -6.638 1.00 45.13 C ATOM 703 O GLU A 46 1.452 13.277 -6.330 1.00 12.33 O ATOM 704 CB GLU A 46 3.918 11.953 -7.932 1.00 14.20 C ATOM 705 CG GLU A 46 3.303 11.172 -9.091 1.00 71.44 C ATOM 706 CD GLU A 46 4.001 11.434 -10.414 1.00 30.50 C ATOM 707 OE1 GLU A 46 5.097 10.877 -10.629 1.00 13.41 O ATOM 708 OE2 GLU A 46 3.462 12.199 -11.238 1.00 30.32 O ATOM 0 H GLU A 46 3.635 9.651 -7.029 1.00 2.32 H new ATOM 0 HA GLU A 46 3.748 12.246 -5.795 1.00 20.12 H new ATOM 0 HB2 GLU A 46 3.853 13.019 -8.149 1.00 14.20 H new ATOM 0 HB3 GLU A 46 4.977 11.706 -7.861 1.00 14.20 H new ATOM 0 HG2 GLU A 46 3.346 10.106 -8.868 1.00 71.44 H new ATOM 0 HG3 GLU A 46 2.250 11.436 -9.183 1.00 71.44 H new ATOM 715 N ASP A 47 0.913 11.219 -7.049 1.00 71.44 N ATOM 716 CA ASP A 47 -0.520 11.486 -7.199 1.00 75.51 C ATOM 717 C ASP A 47 -1.293 11.046 -5.934 1.00 10.23 C ATOM 718 O ASP A 47 -2.490 11.295 -5.797 1.00 72.01 O ATOM 719 CB ASP A 47 -1.011 10.715 -8.435 1.00 43.33 C ATOM 720 CG ASP A 47 -2.308 11.241 -9.020 1.00 44.10 C ATOM 721 OD1 ASP A 47 -2.670 12.403 -8.750 1.00 44.51 O ATOM 722 OD2 ASP A 47 -2.952 10.496 -9.793 1.00 21.12 O ATOM 0 H ASP A 47 1.179 10.265 -7.291 1.00 71.44 H new ATOM 0 HA ASP A 47 -0.695 12.554 -7.327 1.00 75.51 H new ATOM 0 HB2 ASP A 47 -0.238 10.751 -9.203 1.00 43.33 H new ATOM 0 HB3 ASP A 47 -1.145 9.667 -8.166 1.00 43.33 H new ATOM 727 N LEU A 48 -0.569 10.410 -5.014 1.00 15.31 N ATOM 728 CA LEU A 48 -1.140 9.792 -3.806 1.00 70.34 C ATOM 729 C LEU A 48 -2.016 10.751 -2.976 1.00 70.41 C ATOM 730 O LEU A 48 -3.179 10.451 -2.705 1.00 64.32 O ATOM 731 CB LEU A 48 0.002 9.255 -2.931 1.00 35.23 C ATOM 732 CG LEU A 48 -0.422 8.615 -1.602 1.00 0.11 C ATOM 733 CD1 LEU A 48 -1.248 7.358 -1.841 1.00 61.20 C ATOM 734 CD2 LEU A 48 0.799 8.308 -0.742 1.00 21.05 C ATOM 0 H LEU A 48 0.443 10.305 -5.082 1.00 15.31 H new ATOM 0 HA LEU A 48 -1.795 8.987 -4.140 1.00 70.34 H new ATOM 0 HB2 LEU A 48 0.560 8.517 -3.507 1.00 35.23 H new ATOM 0 HB3 LEU A 48 0.687 10.075 -2.716 1.00 35.23 H new ATOM 0 HG LEU A 48 -1.048 9.328 -1.065 1.00 0.11 H new ATOM 0 HD11 LEU A 48 -1.536 6.924 -0.883 1.00 61.20 H new ATOM 0 HD12 LEU A 48 -2.144 7.613 -2.407 1.00 61.20 H new ATOM 0 HD13 LEU A 48 -0.657 6.636 -2.404 1.00 61.20 H new ATOM 0 HD21 LEU A 48 0.479 7.855 0.196 1.00 21.05 H new ATOM 0 HD22 LEU A 48 1.454 7.618 -1.273 1.00 21.05 H new ATOM 0 HD23 LEU A 48 1.338 9.232 -0.533 1.00 21.05 H new ATOM 746 N VAL A 49 -1.455 11.891 -2.567 1.00 22.35 N ATOM 747 CA VAL A 49 -2.161 12.836 -1.686 1.00 71.30 C ATOM 748 C VAL A 49 -3.518 13.260 -2.270 1.00 23.24 C ATOM 749 O VAL A 49 -4.556 13.149 -1.610 1.00 31.13 O ATOM 750 CB VAL A 49 -1.304 14.102 -1.415 1.00 3.10 C ATOM 751 CG1 VAL A 49 -2.047 15.088 -0.510 1.00 32.12 C ATOM 752 CG2 VAL A 49 0.047 13.718 -0.810 1.00 12.13 C ATOM 0 H VAL A 49 -0.514 12.186 -2.829 1.00 22.35 H new ATOM 0 HA VAL A 49 -2.335 12.311 -0.747 1.00 71.30 H new ATOM 0 HB VAL A 49 -1.123 14.598 -2.369 1.00 3.10 H new ATOM 0 HG11 VAL A 49 -1.423 15.965 -0.337 1.00 32.12 H new ATOM 0 HG12 VAL A 49 -2.977 15.393 -0.990 1.00 32.12 H new ATOM 0 HG13 VAL A 49 -2.271 14.609 0.443 1.00 32.12 H new ATOM 0 HG21 VAL A 49 0.633 14.619 -0.627 1.00 12.13 H new ATOM 0 HG22 VAL A 49 -0.112 13.192 0.131 1.00 12.13 H new ATOM 0 HG23 VAL A 49 0.584 13.070 -1.502 1.00 12.13 H new ATOM 762 N ASP A 50 -3.499 13.736 -3.512 1.00 70.51 N ATOM 763 CA ASP A 50 -4.719 14.157 -4.211 1.00 70.03 C ATOM 764 C ASP A 50 -5.695 12.982 -4.398 1.00 30.51 C ATOM 765 O ASP A 50 -6.882 13.093 -4.087 1.00 0.32 O ATOM 766 CB ASP A 50 -4.355 14.772 -5.568 1.00 2.43 C ATOM 767 CG ASP A 50 -3.475 16.001 -5.424 1.00 74.21 C ATOM 768 OD1 ASP A 50 -2.250 15.846 -5.231 1.00 44.15 O ATOM 769 OD2 ASP A 50 -4.008 17.132 -5.490 1.00 42.41 O ATOM 0 H ASP A 50 -2.647 13.842 -4.062 1.00 70.51 H new ATOM 0 HA ASP A 50 -5.220 14.907 -3.599 1.00 70.03 H new ATOM 0 HB2 ASP A 50 -3.840 14.028 -6.176 1.00 2.43 H new ATOM 0 HB3 ASP A 50 -5.268 15.041 -6.099 1.00 2.43 H new ATOM 774 N ARG A 51 -5.183 11.858 -4.900 1.00 63.13 N ATOM 775 CA ARG A 51 -5.991 10.645 -5.093 1.00 72.55 C ATOM 776 C ARG A 51 -6.703 10.217 -3.801 1.00 22.20 C ATOM 777 O ARG A 51 -7.923 10.037 -3.776 1.00 55.41 O ATOM 778 CB ARG A 51 -5.097 9.498 -5.580 1.00 73.21 C ATOM 779 CG ARG A 51 -4.621 9.639 -7.019 1.00 1.21 C ATOM 780 CD ARG A 51 -5.738 9.367 -8.018 1.00 22.10 C ATOM 781 NE ARG A 51 -5.665 10.263 -9.166 1.00 40.01 N ATOM 782 CZ ARG A 51 -6.634 10.455 -10.014 1.00 20.22 C ATOM 783 NH1 ARG A 51 -7.739 9.786 -9.916 1.00 2.14 N ATOM 784 NH2 ARG A 51 -6.490 11.311 -10.970 1.00 40.40 N ATOM 0 H ARG A 51 -4.208 11.758 -5.183 1.00 63.13 H new ATOM 0 HA ARG A 51 -6.752 10.874 -5.838 1.00 72.55 H new ATOM 0 HB2 ARG A 51 -4.227 9.430 -4.927 1.00 73.21 H new ATOM 0 HB3 ARG A 51 -5.644 8.560 -5.481 1.00 73.21 H new ATOM 0 HG2 ARG A 51 -4.232 10.645 -7.175 1.00 1.21 H new ATOM 0 HG3 ARG A 51 -3.798 8.947 -7.198 1.00 1.21 H new ATOM 0 HD2 ARG A 51 -5.678 8.333 -8.359 1.00 22.10 H new ATOM 0 HD3 ARG A 51 -6.703 9.484 -7.525 1.00 22.10 H new ATOM 0 HE ARG A 51 -4.795 10.774 -9.315 1.00 40.01 H new ATOM 0 HH11 ARG A 51 -7.856 9.101 -9.169 1.00 2.14 H new ATOM 0 HH12 ARG A 51 -8.492 9.944 -10.586 1.00 2.14 H new ATOM 0 HH21 ARG A 51 -5.619 11.834 -11.059 1.00 40.40 H new ATOM 0 HH22 ARG A 51 -7.247 11.464 -11.636 1.00 40.40 H new ATOM 798 N ALA A 52 -5.926 10.054 -2.736 1.00 54.33 N ATOM 799 CA ALA A 52 -6.442 9.561 -1.460 1.00 51.02 C ATOM 800 C ALA A 52 -7.390 10.565 -0.788 1.00 23.42 C ATOM 801 O ALA A 52 -8.522 10.227 -0.457 1.00 73.05 O ATOM 802 CB ALA A 52 -5.283 9.212 -0.533 1.00 72.35 C ATOM 0 H ALA A 52 -4.927 10.258 -2.730 1.00 54.33 H new ATOM 0 HA ALA A 52 -7.026 8.663 -1.664 1.00 51.02 H new ATOM 0 HB1 ALA A 52 -5.674 8.845 0.416 1.00 72.35 H new ATOM 0 HB2 ALA A 52 -4.668 8.440 -0.995 1.00 72.35 H new ATOM 0 HB3 ALA A 52 -4.678 10.101 -0.357 1.00 72.35 H new ATOM 808 N SER A 53 -6.937 11.804 -0.603 1.00 4.11 N ATOM 809 CA SER A 53 -7.734 12.818 0.115 1.00 24.05 C ATOM 810 C SER A 53 -9.050 13.134 -0.609 1.00 52.31 C ATOM 811 O SER A 53 -10.029 13.544 0.015 1.00 42.21 O ATOM 812 CB SER A 53 -6.924 14.106 0.309 1.00 63.43 C ATOM 813 OG SER A 53 -7.629 15.041 1.115 1.00 34.34 O ATOM 0 H SER A 53 -6.031 12.136 -0.934 1.00 4.11 H new ATOM 0 HA SER A 53 -7.981 12.398 1.090 1.00 24.05 H new ATOM 0 HB2 SER A 53 -5.967 13.870 0.774 1.00 63.43 H new ATOM 0 HB3 SER A 53 -6.706 14.551 -0.662 1.00 63.43 H new ATOM 0 HG SER A 53 -7.089 15.852 1.224 1.00 34.34 H new ATOM 819 N SER A 54 -9.073 12.931 -1.925 1.00 43.33 N ATOM 820 CA SER A 54 -10.280 13.181 -2.734 1.00 34.02 C ATOM 821 C SER A 54 -11.173 11.931 -2.844 1.00 45.11 C ATOM 822 O SER A 54 -12.209 11.959 -3.509 1.00 75.10 O ATOM 823 CB SER A 54 -9.887 13.655 -4.142 1.00 41.20 C ATOM 824 OG SER A 54 -11.027 13.953 -4.932 1.00 0.22 O ATOM 0 H SER A 54 -8.273 12.594 -2.460 1.00 43.33 H new ATOM 0 HA SER A 54 -10.851 13.958 -2.227 1.00 34.02 H new ATOM 0 HB2 SER A 54 -9.256 14.540 -4.065 1.00 41.20 H new ATOM 0 HB3 SER A 54 -9.295 12.883 -4.634 1.00 41.20 H new ATOM 0 HG SER A 54 -11.764 13.359 -4.679 1.00 0.22 H new ATOM 830 N SER A 55 -10.774 10.836 -2.194 1.00 25.55 N ATOM 831 CA SER A 55 -11.524 9.564 -2.277 1.00 52.11 C ATOM 832 C SER A 55 -11.686 8.910 -0.898 1.00 11.13 C ATOM 833 O SER A 55 -12.801 8.660 -0.439 1.00 32.50 O ATOM 834 CB SER A 55 -10.814 8.580 -3.225 1.00 53.33 C ATOM 835 OG SER A 55 -10.602 9.152 -4.506 1.00 41.04 O ATOM 0 H SER A 55 -9.942 10.796 -1.606 1.00 25.55 H new ATOM 0 HA SER A 55 -12.515 9.800 -2.666 1.00 52.11 H new ATOM 0 HB2 SER A 55 -9.857 8.285 -2.794 1.00 53.33 H new ATOM 0 HB3 SER A 55 -11.412 7.674 -3.325 1.00 53.33 H new ATOM 0 HG SER A 55 -9.709 9.553 -4.541 1.00 41.04 H new ATOM 841 N LEU A 56 -10.561 8.622 -0.254 1.00 64.13 N ATOM 842 CA LEU A 56 -10.539 7.999 1.076 1.00 31.22 C ATOM 843 C LEU A 56 -10.777 9.025 2.190 1.00 25.14 C ATOM 844 O LEU A 56 -10.604 10.231 1.992 1.00 60.13 O ATOM 845 CB LEU A 56 -9.177 7.325 1.298 1.00 44.11 C ATOM 846 CG LEU A 56 -8.855 6.165 0.346 1.00 53.21 C ATOM 847 CD1 LEU A 56 -7.380 5.776 0.445 1.00 4.40 C ATOM 848 CD2 LEU A 56 -9.750 4.968 0.653 1.00 44.32 C ATOM 0 H LEU A 56 -9.634 8.812 -0.635 1.00 64.13 H new ATOM 0 HA LEU A 56 -11.343 7.264 1.114 1.00 31.22 H new ATOM 0 HB2 LEU A 56 -8.397 8.080 1.201 1.00 44.11 H new ATOM 0 HB3 LEU A 56 -9.136 6.954 2.322 1.00 44.11 H new ATOM 0 HG LEU A 56 -9.049 6.491 -0.676 1.00 53.21 H new ATOM 0 HD11 LEU A 56 -7.174 4.952 -0.238 1.00 4.40 H new ATOM 0 HD12 LEU A 56 -6.759 6.632 0.179 1.00 4.40 H new ATOM 0 HD13 LEU A 56 -7.153 5.467 1.465 1.00 4.40 H new ATOM 0 HD21 LEU A 56 -9.512 4.152 -0.029 1.00 44.32 H new ATOM 0 HD22 LEU A 56 -9.584 4.643 1.680 1.00 44.32 H new ATOM 0 HD23 LEU A 56 -10.795 5.253 0.527 1.00 44.32 H new ATOM 860 N GLU A 57 -11.178 8.541 3.359 1.00 41.21 N ATOM 861 CA GLU A 57 -11.279 9.394 4.545 1.00 13.52 C ATOM 862 C GLU A 57 -9.965 9.412 5.325 1.00 31.42 C ATOM 863 O GLU A 57 -9.041 8.655 5.039 1.00 62.30 O ATOM 864 CB GLU A 57 -12.401 8.932 5.479 1.00 1.01 C ATOM 865 CG GLU A 57 -13.797 9.346 5.041 1.00 2.21 C ATOM 866 CD GLU A 57 -14.387 8.431 3.979 1.00 70.35 C ATOM 867 OE1 GLU A 57 -14.679 7.257 4.294 1.00 1.41 O ATOM 868 OE2 GLU A 57 -14.567 8.874 2.826 1.00 32.31 O ATOM 0 H GLU A 57 -11.438 7.567 3.515 1.00 41.21 H new ATOM 0 HA GLU A 57 -11.505 10.399 4.187 1.00 13.52 H new ATOM 0 HB2 GLU A 57 -12.366 7.845 5.558 1.00 1.01 H new ATOM 0 HB3 GLU A 57 -12.214 9.331 6.476 1.00 1.01 H new ATOM 0 HG2 GLU A 57 -14.455 9.356 5.910 1.00 2.21 H new ATOM 0 HG3 GLU A 57 -13.763 10.365 4.655 1.00 2.21 H new ATOM 875 N LYS A 58 -9.917 10.250 6.349 1.00 51.20 N ATOM 876 CA LYS A 58 -8.701 10.417 7.158 1.00 3.32 C ATOM 877 C LYS A 58 -8.639 9.358 8.273 1.00 10.42 C ATOM 878 O LYS A 58 -7.560 8.983 8.752 1.00 40.01 O ATOM 879 CB LYS A 58 -8.653 11.839 7.741 1.00 72.10 C ATOM 880 CG LYS A 58 -8.697 12.936 6.671 1.00 60.10 C ATOM 881 CD LYS A 58 -7.453 12.925 5.779 1.00 24.24 C ATOM 882 CE LYS A 58 -7.625 13.791 4.532 1.00 31.43 C ATOM 883 NZ LYS A 58 -7.760 15.235 4.858 1.00 25.25 N ATOM 0 H LYS A 58 -10.702 10.829 6.646 1.00 51.20 H new ATOM 0 HA LYS A 58 -7.829 10.275 6.520 1.00 3.32 H new ATOM 0 HB2 LYS A 58 -9.493 11.973 8.423 1.00 72.10 H new ATOM 0 HB3 LYS A 58 -7.743 11.952 8.330 1.00 72.10 H new ATOM 0 HG2 LYS A 58 -9.586 12.803 6.054 1.00 60.10 H new ATOM 0 HG3 LYS A 58 -8.787 13.909 7.154 1.00 60.10 H new ATOM 0 HD2 LYS A 58 -6.596 13.281 6.350 1.00 24.24 H new ATOM 0 HD3 LYS A 58 -7.233 11.900 5.479 1.00 24.24 H new ATOM 0 HE2 LYS A 58 -6.768 13.649 3.873 1.00 31.43 H new ATOM 0 HE3 LYS A 58 -8.507 13.461 3.983 1.00 31.43 H new ATOM 0 HZ1 LYS A 58 -8.139 15.743 4.034 1.00 25.25 H new ATOM 0 HZ2 LYS A 58 -8.408 15.350 5.664 1.00 25.25 H new ATOM 0 HZ3 LYS A 58 -6.828 15.624 5.105 1.00 25.25 H new ATOM 897 N SER A 59 -9.812 8.866 8.670 1.00 44.25 N ATOM 898 CA SER A 59 -9.914 7.809 9.689 1.00 14.13 C ATOM 899 C SER A 59 -9.828 6.404 9.068 1.00 22.33 C ATOM 900 O SER A 59 -9.850 5.400 9.786 1.00 42.10 O ATOM 901 CB SER A 59 -11.231 7.939 10.467 1.00 45.31 C ATOM 902 OG SER A 59 -11.360 9.220 11.072 1.00 2.45 O ATOM 0 H SER A 59 -10.710 9.180 8.303 1.00 44.25 H new ATOM 0 HA SER A 59 -9.070 7.936 10.367 1.00 14.13 H new ATOM 0 HB2 SER A 59 -12.070 7.769 9.793 1.00 45.31 H new ATOM 0 HB3 SER A 59 -11.278 7.167 11.235 1.00 45.31 H new ATOM 0 HG SER A 59 -10.499 9.489 11.456 1.00 2.45 H new ATOM 908 N ARG A 60 -9.734 6.340 7.738 1.00 32.35 N ATOM 909 CA ARG A 60 -9.624 5.062 7.019 1.00 52.51 C ATOM 910 C ARG A 60 -8.313 4.337 7.365 1.00 2.22 C ATOM 911 O ARG A 60 -7.239 4.932 7.318 1.00 23.23 O ATOM 912 CB ARG A 60 -9.706 5.305 5.500 1.00 15.10 C ATOM 913 CG ARG A 60 -9.524 4.046 4.649 1.00 20.13 C ATOM 914 CD ARG A 60 -10.638 3.027 4.875 1.00 23.04 C ATOM 915 NE ARG A 60 -11.938 3.516 4.420 1.00 63.05 N ATOM 916 CZ ARG A 60 -13.069 3.302 5.043 1.00 54.15 C ATOM 917 NH1 ARG A 60 -13.098 2.624 6.146 1.00 51.51 N ATOM 918 NH2 ARG A 60 -14.174 3.759 4.552 1.00 74.21 N ATOM 0 H ARG A 60 -9.732 7.160 7.132 1.00 32.35 H new ATOM 0 HA ARG A 60 -10.453 4.427 7.330 1.00 52.51 H new ATOM 0 HB2 ARG A 60 -10.673 5.750 5.267 1.00 15.10 H new ATOM 0 HB3 ARG A 60 -8.945 6.032 5.219 1.00 15.10 H new ATOM 0 HG2 ARG A 60 -9.497 4.323 3.595 1.00 20.13 H new ATOM 0 HG3 ARG A 60 -8.563 3.588 4.883 1.00 20.13 H new ATOM 0 HD2 ARG A 60 -10.395 2.104 4.349 1.00 23.04 H new ATOM 0 HD3 ARG A 60 -10.695 2.784 5.936 1.00 23.04 H new ATOM 0 HE ARG A 60 -11.966 4.061 3.558 1.00 63.05 H new ATOM 0 HH11 ARG A 60 -12.234 2.251 6.538 1.00 51.51 H new ATOM 0 HH12 ARG A 60 -13.985 2.464 6.623 1.00 51.51 H new ATOM 0 HH21 ARG A 60 -14.165 4.286 3.679 1.00 74.21 H new ATOM 0 HH22 ARG A 60 -15.055 3.592 5.038 1.00 74.21 H new ATOM 932 N ASP A 61 -8.409 3.053 7.714 1.00 0.41 N ATOM 933 CA ASP A 61 -7.226 2.254 8.058 1.00 71.33 C ATOM 934 C ASP A 61 -6.399 1.928 6.803 1.00 72.44 C ATOM 935 O ASP A 61 -6.715 0.998 6.059 1.00 52.42 O ATOM 936 CB ASP A 61 -7.652 0.967 8.772 1.00 24.50 C ATOM 937 CG ASP A 61 -8.539 1.249 9.971 1.00 43.33 C ATOM 938 OD1 ASP A 61 -8.027 1.759 10.989 1.00 12.01 O ATOM 939 OD2 ASP A 61 -9.759 0.973 9.899 1.00 53.20 O ATOM 0 H ASP A 61 -9.291 2.543 7.767 1.00 0.41 H new ATOM 0 HA ASP A 61 -6.598 2.838 8.730 1.00 71.33 H new ATOM 0 HB2 ASP A 61 -8.183 0.323 8.072 1.00 24.50 H new ATOM 0 HB3 ASP A 61 -6.766 0.422 9.097 1.00 24.50 H new ATOM 944 N ILE A 62 -5.348 2.708 6.570 1.00 31.33 N ATOM 945 CA ILE A 62 -4.569 2.616 5.331 1.00 1.32 C ATOM 946 C ILE A 62 -3.215 1.904 5.512 1.00 41.43 C ATOM 947 O ILE A 62 -2.477 2.162 6.467 1.00 25.31 O ATOM 948 CB ILE A 62 -4.320 4.031 4.745 1.00 60.51 C ATOM 949 CG1 ILE A 62 -5.660 4.706 4.406 1.00 74.42 C ATOM 950 CG2 ILE A 62 -3.419 3.963 3.513 1.00 0.31 C ATOM 951 CD1 ILE A 62 -5.523 6.118 3.875 1.00 33.21 C ATOM 0 H ILE A 62 -5.012 3.415 7.224 1.00 31.33 H new ATOM 0 HA ILE A 62 -5.165 2.015 4.645 1.00 1.32 H new ATOM 0 HB ILE A 62 -3.808 4.631 5.497 1.00 60.51 H new ATOM 0 HG12 ILE A 62 -6.183 4.100 3.666 1.00 74.42 H new ATOM 0 HG13 ILE A 62 -6.282 4.724 5.301 1.00 74.42 H new ATOM 0 HG21 ILE A 62 -3.261 4.968 3.122 1.00 0.31 H new ATOM 0 HG22 ILE A 62 -2.459 3.525 3.788 1.00 0.31 H new ATOM 0 HG23 ILE A 62 -3.893 3.347 2.749 1.00 0.31 H new ATOM 0 HD11 ILE A 62 -6.512 6.523 3.660 1.00 33.21 H new ATOM 0 HD12 ILE A 62 -5.030 6.741 4.621 1.00 33.21 H new ATOM 0 HD13 ILE A 62 -4.929 6.107 2.961 1.00 33.21 H new ATOM 963 N TYR A 63 -2.905 1.008 4.573 1.00 21.43 N ATOM 964 CA TYR A 63 -1.582 0.379 4.477 1.00 5.22 C ATOM 965 C TYR A 63 -0.892 0.765 3.164 1.00 11.21 C ATOM 966 O TYR A 63 -1.486 0.685 2.091 1.00 62.31 O ATOM 967 CB TYR A 63 -1.685 -1.150 4.593 1.00 71.54 C ATOM 968 CG TYR A 63 -1.537 -1.645 6.016 1.00 32.20 C ATOM 969 CD1 TYR A 63 -2.634 -1.748 6.862 1.00 42.44 C ATOM 970 CD2 TYR A 63 -0.285 -1.984 6.520 1.00 73.22 C ATOM 971 CE1 TYR A 63 -2.487 -2.179 8.166 1.00 52.45 C ATOM 972 CE2 TYR A 63 -0.130 -2.411 7.822 1.00 32.30 C ATOM 973 CZ TYR A 63 -1.232 -2.504 8.642 1.00 23.32 C ATOM 974 OH TYR A 63 -1.076 -2.923 9.946 1.00 54.52 O ATOM 0 H TYR A 63 -3.562 0.697 3.857 1.00 21.43 H new ATOM 0 HA TYR A 63 -0.980 0.745 5.309 1.00 5.22 H new ATOM 0 HB2 TYR A 63 -2.648 -1.475 4.199 1.00 71.54 H new ATOM 0 HB3 TYR A 63 -0.915 -1.609 3.972 1.00 71.54 H new ATOM 0 HD1 TYR A 63 -3.616 -1.487 6.495 1.00 42.44 H new ATOM 0 HD2 TYR A 63 0.582 -1.911 5.879 1.00 73.22 H new ATOM 0 HE1 TYR A 63 -3.350 -2.261 8.811 1.00 52.45 H new ATOM 0 HE2 TYR A 63 0.849 -2.671 8.196 1.00 32.30 H new ATOM 0 HH TYR A 63 -0.189 -2.661 10.270 1.00 54.52 H new ATOM 984 N VAL A 64 0.368 1.169 3.259 1.00 44.03 N ATOM 985 CA VAL A 64 1.117 1.676 2.103 1.00 52.25 C ATOM 986 C VAL A 64 2.286 0.754 1.736 1.00 31.33 C ATOM 987 O VAL A 64 3.035 0.315 2.610 1.00 70.43 O ATOM 988 CB VAL A 64 1.667 3.096 2.398 1.00 4.25 C ATOM 989 CG1 VAL A 64 2.526 3.610 1.248 1.00 1.44 C ATOM 990 CG2 VAL A 64 0.523 4.064 2.693 1.00 23.21 C ATOM 0 H VAL A 64 0.901 1.157 4.129 1.00 44.03 H new ATOM 0 HA VAL A 64 0.425 1.712 1.261 1.00 52.25 H new ATOM 0 HB VAL A 64 2.302 3.031 3.281 1.00 4.25 H new ATOM 0 HG11 VAL A 64 2.895 4.607 1.487 1.00 1.44 H new ATOM 0 HG12 VAL A 64 3.370 2.937 1.095 1.00 1.44 H new ATOM 0 HG13 VAL A 64 1.928 3.653 0.338 1.00 1.44 H new ATOM 0 HG21 VAL A 64 0.928 5.055 2.898 1.00 23.21 H new ATOM 0 HG22 VAL A 64 -0.142 4.115 1.831 1.00 23.21 H new ATOM 0 HG23 VAL A 64 -0.035 3.714 3.561 1.00 23.21 H new ATOM 1000 N TYR A 65 2.446 0.454 0.445 1.00 62.44 N ATOM 1001 CA TYR A 65 3.612 -0.306 -0.008 1.00 0.32 C ATOM 1002 C TYR A 65 4.203 0.273 -1.305 1.00 53.41 C ATOM 1003 O TYR A 65 3.487 0.559 -2.273 1.00 75.03 O ATOM 1004 CB TYR A 65 3.269 -1.800 -0.162 1.00 3.14 C ATOM 1005 CG TYR A 65 2.459 -2.176 -1.397 1.00 24.25 C ATOM 1006 CD1 TYR A 65 1.131 -1.793 -1.548 1.00 30.54 C ATOM 1007 CD2 TYR A 65 3.032 -2.944 -2.400 1.00 61.34 C ATOM 1008 CE1 TYR A 65 0.405 -2.166 -2.666 1.00 1.54 C ATOM 1009 CE2 TYR A 65 2.313 -3.325 -3.516 1.00 20.14 C ATOM 1010 CZ TYR A 65 1.001 -2.934 -3.645 1.00 24.41 C ATOM 1011 OH TYR A 65 0.281 -3.324 -4.753 1.00 51.43 O ATOM 0 H TYR A 65 1.795 0.720 -0.294 1.00 62.44 H new ATOM 0 HA TYR A 65 4.381 -0.216 0.759 1.00 0.32 H new ATOM 0 HB2 TYR A 65 4.200 -2.366 -0.176 1.00 3.14 H new ATOM 0 HB3 TYR A 65 2.716 -2.118 0.722 1.00 3.14 H new ATOM 0 HD1 TYR A 65 0.659 -1.196 -0.782 1.00 30.54 H new ATOM 0 HD2 TYR A 65 4.063 -3.251 -2.306 1.00 61.34 H new ATOM 0 HE1 TYR A 65 -0.624 -1.857 -2.772 1.00 1.54 H new ATOM 0 HE2 TYR A 65 2.778 -3.926 -4.283 1.00 20.14 H new ATOM 0 HH TYR A 65 0.320 -2.619 -5.433 1.00 51.43 H new ATOM 1021 N GLY A 66 5.518 0.484 -1.290 1.00 1.24 N ATOM 1022 CA GLY A 66 6.235 0.975 -2.462 1.00 24.31 C ATOM 1023 C GLY A 66 7.165 -0.076 -3.057 1.00 34.24 C ATOM 1024 O GLY A 66 7.129 -1.243 -2.663 1.00 24.34 O ATOM 0 H GLY A 66 6.109 0.321 -0.475 1.00 1.24 H new ATOM 0 HA2 GLY A 66 5.516 1.290 -3.218 1.00 24.31 H new ATOM 0 HA3 GLY A 66 6.815 1.856 -2.187 1.00 24.31 H new ATOM 1028 N ALA A 67 7.991 0.331 -4.014 1.00 62.41 N ATOM 1029 CA ALA A 67 9.004 -0.557 -4.595 1.00 1.04 C ATOM 1030 C ALA A 67 10.254 -0.629 -3.703 1.00 34.12 C ATOM 1031 O ALA A 67 11.193 -1.383 -3.974 1.00 43.12 O ATOM 1032 CB ALA A 67 9.370 -0.080 -5.996 1.00 14.25 C ATOM 0 H ALA A 67 7.983 1.272 -4.408 1.00 62.41 H new ATOM 0 HA ALA A 67 8.586 -1.561 -4.661 1.00 1.04 H new ATOM 0 HB1 ALA A 67 10.123 -0.744 -6.421 1.00 14.25 H new ATOM 0 HB2 ALA A 67 8.481 -0.088 -6.627 1.00 14.25 H new ATOM 0 HB3 ALA A 67 9.768 0.933 -5.943 1.00 14.25 H new ATOM 1038 N GLY A 68 10.257 0.167 -2.637 1.00 1.13 N ATOM 1039 CA GLY A 68 11.366 0.172 -1.694 1.00 22.25 C ATOM 1040 C GLY A 68 11.005 0.820 -0.363 1.00 25.33 C ATOM 1041 O GLY A 68 10.018 1.555 -0.271 1.00 1.14 O ATOM 0 H GLY A 68 9.504 0.815 -2.407 1.00 1.13 H new ATOM 0 HA2 GLY A 68 11.692 -0.853 -1.518 1.00 22.25 H new ATOM 0 HA3 GLY A 68 12.210 0.703 -2.135 1.00 22.25 H new ATOM 1045 N ASP A 69 11.799 0.538 0.668 1.00 20.40 N ATOM 1046 CA ASP A 69 11.607 1.123 2.002 1.00 32.23 C ATOM 1047 C ASP A 69 11.491 2.659 1.936 1.00 55.01 C ATOM 1048 O ASP A 69 10.556 3.250 2.479 1.00 22.53 O ATOM 1049 CB ASP A 69 12.781 0.732 2.911 1.00 14.34 C ATOM 1050 CG ASP A 69 12.992 -0.771 2.982 1.00 51.11 C ATOM 1051 OD1 ASP A 69 13.639 -1.327 2.066 1.00 53.25 O ATOM 1052 OD2 ASP A 69 12.508 -1.406 3.947 1.00 72.55 O ATOM 0 H ASP A 69 12.593 -0.100 0.607 1.00 20.40 H new ATOM 0 HA ASP A 69 10.675 0.733 2.410 1.00 32.23 H new ATOM 0 HB2 ASP A 69 13.692 1.206 2.545 1.00 14.34 H new ATOM 0 HB3 ASP A 69 12.602 1.118 3.915 1.00 14.34 H new ATOM 1057 N GLU A 70 12.435 3.285 1.234 1.00 73.41 N ATOM 1058 CA GLU A 70 12.482 4.747 1.096 1.00 52.45 C ATOM 1059 C GLU A 70 11.174 5.311 0.504 1.00 43.44 C ATOM 1060 O GLU A 70 10.568 6.223 1.075 1.00 74.40 O ATOM 1061 CB GLU A 70 13.708 5.125 0.235 1.00 4.41 C ATOM 1062 CG GLU A 70 13.797 6.595 -0.185 1.00 2.31 C ATOM 1063 CD GLU A 70 13.053 6.896 -1.481 1.00 32.32 C ATOM 1064 OE1 GLU A 70 13.378 6.267 -2.514 1.00 2.03 O ATOM 1065 OE2 GLU A 70 12.142 7.752 -1.472 1.00 3.22 O ATOM 0 H GLU A 70 13.187 2.799 0.746 1.00 73.41 H new ATOM 0 HA GLU A 70 12.583 5.196 2.084 1.00 52.45 H new ATOM 0 HB2 GLU A 70 14.611 4.869 0.789 1.00 4.41 H new ATOM 0 HB3 GLU A 70 13.701 4.509 -0.664 1.00 4.41 H new ATOM 0 HG2 GLU A 70 13.392 7.219 0.612 1.00 2.31 H new ATOM 0 HG3 GLU A 70 14.845 6.869 -0.303 1.00 2.31 H new ATOM 1072 N GLN A 71 10.740 4.760 -0.631 1.00 2.14 N ATOM 1073 CA GLN A 71 9.490 5.188 -1.277 1.00 33.01 C ATOM 1074 C GLN A 71 8.286 5.012 -0.341 1.00 1.31 C ATOM 1075 O GLN A 71 7.484 5.932 -0.151 1.00 41.34 O ATOM 1076 CB GLN A 71 9.258 4.384 -2.564 1.00 32.23 C ATOM 1077 CG GLN A 71 7.980 4.761 -3.303 1.00 0.01 C ATOM 1078 CD GLN A 71 7.852 4.066 -4.639 1.00 23.13 C ATOM 1079 OE1 GLN A 71 7.324 2.966 -4.729 1.00 74.23 O ATOM 1080 NE2 GLN A 71 8.339 4.698 -5.683 1.00 54.34 N ATOM 0 H GLN A 71 11.233 4.016 -1.125 1.00 2.14 H new ATOM 0 HA GLN A 71 9.587 6.247 -1.517 1.00 33.01 H new ATOM 0 HB2 GLN A 71 10.108 4.529 -3.230 1.00 32.23 H new ATOM 0 HB3 GLN A 71 9.224 3.323 -2.317 1.00 32.23 H new ATOM 0 HG2 GLN A 71 7.119 4.510 -2.683 1.00 0.01 H new ATOM 0 HG3 GLN A 71 7.958 5.840 -3.456 1.00 0.01 H new ATOM 0 HE21 GLN A 71 8.772 5.614 -5.568 1.00 54.34 H new ATOM 0 HE22 GLN A 71 8.284 4.272 -6.608 1.00 54.34 H new ATOM 1089 N THR A 72 8.179 3.822 0.241 1.00 5.45 N ATOM 1090 CA THR A 72 7.082 3.484 1.155 1.00 33.30 C ATOM 1091 C THR A 72 6.992 4.487 2.317 1.00 43.35 C ATOM 1092 O THR A 72 5.939 5.073 2.574 1.00 50.34 O ATOM 1093 CB THR A 72 7.268 2.055 1.729 1.00 0.54 C ATOM 1094 OG1 THR A 72 7.421 1.110 0.657 1.00 10.32 O ATOM 1095 CG2 THR A 72 6.089 1.641 2.603 1.00 2.50 C ATOM 0 H THR A 72 8.846 3.064 0.096 1.00 5.45 H new ATOM 0 HA THR A 72 6.157 3.528 0.580 1.00 33.30 H new ATOM 0 HB THR A 72 8.165 2.064 2.348 1.00 0.54 H new ATOM 0 HG1 THR A 72 8.332 1.166 0.299 1.00 10.32 H new ATOM 0 HG21 THR A 72 6.256 0.634 2.987 1.00 2.50 H new ATOM 0 HG22 THR A 72 5.993 2.336 3.437 1.00 2.50 H new ATOM 0 HG23 THR A 72 5.174 1.656 2.011 1.00 2.50 H new ATOM 1103 N SER A 73 8.120 4.692 2.995 1.00 61.35 N ATOM 1104 CA SER A 73 8.199 5.592 4.156 1.00 23.15 C ATOM 1105 C SER A 73 7.767 7.026 3.811 1.00 73.12 C ATOM 1106 O SER A 73 7.089 7.690 4.605 1.00 1.21 O ATOM 1107 CB SER A 73 9.631 5.605 4.708 1.00 22.42 C ATOM 1108 OG SER A 73 10.083 4.288 4.979 1.00 23.32 O ATOM 0 H SER A 73 9.005 4.243 2.760 1.00 61.35 H new ATOM 0 HA SER A 73 7.509 5.212 4.910 1.00 23.15 H new ATOM 0 HB2 SER A 73 10.297 6.081 3.989 1.00 22.42 H new ATOM 0 HB3 SER A 73 9.668 6.201 5.620 1.00 22.42 H new ATOM 0 HG SER A 73 10.324 3.846 4.139 1.00 23.32 H new ATOM 1114 N GLN A 74 8.152 7.498 2.625 1.00 3.10 N ATOM 1115 CA GLN A 74 7.830 8.846 2.185 1.00 34.22 C ATOM 1116 C GLN A 74 6.323 8.999 1.918 1.00 24.01 C ATOM 1117 O GLN A 74 5.698 9.962 2.361 1.00 30.51 O ATOM 1118 CB GLN A 74 8.649 9.172 0.930 1.00 31.14 C ATOM 1119 CG GLN A 74 8.116 10.353 0.147 1.00 43.11 C ATOM 1120 CD GLN A 74 8.955 10.704 -1.074 1.00 43.40 C ATOM 1121 OE1 GLN A 74 9.572 9.713 -1.688 1.00 42.35 O flip ATOM 1122 NE2 GLN A 74 9.045 11.862 -1.469 1.00 44.21 N flip ATOM 0 H GLN A 74 8.692 6.957 1.950 1.00 3.10 H new ATOM 0 HA GLN A 74 8.087 9.551 2.975 1.00 34.22 H new ATOM 0 HB2 GLN A 74 9.679 9.376 1.222 1.00 31.14 H new ATOM 0 HB3 GLN A 74 8.668 8.296 0.282 1.00 31.14 H new ATOM 0 HG2 GLN A 74 7.097 10.136 -0.173 1.00 43.11 H new ATOM 0 HG3 GLN A 74 8.065 11.221 0.804 1.00 43.11 H new ATOM 0 HE21 GLN A 74 8.557 12.609 -0.975 1.00 44.21 H new ATOM 0 HE22 GLN A 74 9.608 12.078 -2.292 1.00 44.21 H new ATOM 1131 N ALA A 75 5.747 8.036 1.203 1.00 13.50 N ATOM 1132 CA ALA A 75 4.309 8.043 0.908 1.00 31.22 C ATOM 1133 C ALA A 75 3.470 8.085 2.194 1.00 64.34 C ATOM 1134 O ALA A 75 2.510 8.853 2.304 1.00 41.34 O ATOM 1135 CB ALA A 75 3.952 6.821 0.080 1.00 33.54 C ATOM 0 H ALA A 75 6.251 7.238 0.815 1.00 13.50 H new ATOM 0 HA ALA A 75 4.080 8.945 0.340 1.00 31.22 H new ATOM 0 HB1 ALA A 75 2.884 6.828 -0.138 1.00 33.54 H new ATOM 0 HB2 ALA A 75 4.513 6.838 -0.854 1.00 33.54 H new ATOM 0 HB3 ALA A 75 4.202 5.918 0.637 1.00 33.54 H new ATOM 1141 N VAL A 76 3.840 7.247 3.159 1.00 14.41 N ATOM 1142 CA VAL A 76 3.217 7.260 4.494 1.00 42.21 C ATOM 1143 C VAL A 76 3.244 8.669 5.115 1.00 41.42 C ATOM 1144 O VAL A 76 2.258 9.124 5.707 1.00 51.34 O ATOM 1145 CB VAL A 76 3.933 6.268 5.451 1.00 15.05 C ATOM 1146 CG1 VAL A 76 3.379 6.356 6.874 1.00 44.14 C ATOM 1147 CG2 VAL A 76 3.826 4.841 4.919 1.00 34.13 C ATOM 0 H VAL A 76 4.571 6.545 3.047 1.00 14.41 H new ATOM 0 HA VAL A 76 2.180 6.952 4.364 1.00 42.21 H new ATOM 0 HB VAL A 76 4.985 6.549 5.491 1.00 15.05 H new ATOM 0 HG11 VAL A 76 3.905 5.647 7.514 1.00 44.14 H new ATOM 0 HG12 VAL A 76 3.521 7.366 7.258 1.00 44.14 H new ATOM 0 HG13 VAL A 76 2.315 6.117 6.866 1.00 44.14 H new ATOM 0 HG21 VAL A 76 4.333 4.159 5.602 1.00 34.13 H new ATOM 0 HG22 VAL A 76 2.776 4.560 4.839 1.00 34.13 H new ATOM 0 HG23 VAL A 76 4.293 4.783 3.936 1.00 34.13 H new ATOM 1157 N ASN A 77 4.380 9.353 4.970 1.00 71.34 N ATOM 1158 CA ASN A 77 4.544 10.716 5.489 1.00 72.41 C ATOM 1159 C ASN A 77 3.571 11.684 4.807 1.00 0.54 C ATOM 1160 O ASN A 77 2.926 12.506 5.456 1.00 24.32 O ATOM 1161 CB ASN A 77 5.980 11.190 5.252 1.00 11.10 C ATOM 1162 CG ASN A 77 6.373 12.347 6.153 1.00 75.21 C ATOM 1163 OD1 ASN A 77 5.888 12.471 7.273 1.00 4.32 O ATOM 1164 ND2 ASN A 77 7.263 13.193 5.681 1.00 33.43 N ATOM 0 H ASN A 77 5.205 8.985 4.496 1.00 71.34 H new ATOM 0 HA ASN A 77 4.329 10.702 6.558 1.00 72.41 H new ATOM 0 HB2 ASN A 77 6.664 10.358 5.417 1.00 11.10 H new ATOM 0 HB3 ASN A 77 6.091 11.492 4.211 1.00 11.10 H new ATOM 0 HD21 ASN A 77 7.570 13.981 6.251 1.00 33.43 H new ATOM 0 HD22 ASN A 77 7.646 13.061 4.745 1.00 33.43 H new ATOM 1171 N LEU A 78 3.479 11.567 3.489 1.00 60.11 N ATOM 1172 CA LEU A 78 2.608 12.420 2.676 1.00 34.44 C ATOM 1173 C LEU A 78 1.130 12.283 3.083 1.00 34.34 C ATOM 1174 O LEU A 78 0.413 13.280 3.188 1.00 75.33 O ATOM 1175 CB LEU A 78 2.806 12.061 1.199 1.00 43.34 C ATOM 1176 CG LEU A 78 4.241 12.268 0.681 1.00 12.21 C ATOM 1177 CD1 LEU A 78 4.450 11.568 -0.654 1.00 2.52 C ATOM 1178 CD2 LEU A 78 4.567 13.756 0.571 1.00 21.33 C ATOM 0 H LEU A 78 4.004 10.879 2.949 1.00 60.11 H new ATOM 0 HA LEU A 78 2.881 13.462 2.842 1.00 34.44 H new ATOM 0 HB2 LEU A 78 2.526 11.018 1.050 1.00 43.34 H new ATOM 0 HB3 LEU A 78 2.125 12.663 0.597 1.00 43.34 H new ATOM 0 HG LEU A 78 4.925 11.821 1.402 1.00 12.21 H new ATOM 0 HD11 LEU A 78 5.472 11.732 -0.995 1.00 2.52 H new ATOM 0 HD12 LEU A 78 4.274 10.499 -0.536 1.00 2.52 H new ATOM 0 HD13 LEU A 78 3.754 11.971 -1.389 1.00 2.52 H new ATOM 0 HD21 LEU A 78 5.586 13.879 0.203 1.00 21.33 H new ATOM 0 HD22 LEU A 78 3.871 14.231 -0.121 1.00 21.33 H new ATOM 0 HD23 LEU A 78 4.477 14.222 1.552 1.00 21.33 H new ATOM 1190 N LEU A 79 0.684 11.051 3.330 1.00 60.22 N ATOM 1191 CA LEU A 79 -0.697 10.806 3.769 1.00 34.20 C ATOM 1192 C LEU A 79 -0.991 11.462 5.128 1.00 14.41 C ATOM 1193 O LEU A 79 -1.962 12.207 5.269 1.00 22.43 O ATOM 1194 CB LEU A 79 -0.983 9.301 3.836 1.00 63.11 C ATOM 1195 CG LEU A 79 -1.081 8.590 2.478 1.00 11.12 C ATOM 1196 CD1 LEU A 79 -1.290 7.092 2.669 1.00 42.21 C ATOM 1197 CD2 LEU A 79 -2.206 9.188 1.633 1.00 12.22 C ATOM 0 H LEU A 79 1.252 10.209 3.235 1.00 60.22 H new ATOM 0 HA LEU A 79 -1.357 11.262 3.031 1.00 34.20 H new ATOM 0 HB2 LEU A 79 -0.197 8.824 4.421 1.00 63.11 H new ATOM 0 HB3 LEU A 79 -1.918 9.149 4.375 1.00 63.11 H new ATOM 0 HG LEU A 79 -0.141 8.739 1.947 1.00 11.12 H new ATOM 0 HD11 LEU A 79 -1.357 6.607 1.695 1.00 42.21 H new ATOM 0 HD12 LEU A 79 -0.450 6.675 3.225 1.00 42.21 H new ATOM 0 HD13 LEU A 79 -2.213 6.921 3.224 1.00 42.21 H new ATOM 0 HD21 LEU A 79 -2.257 8.669 0.676 1.00 12.22 H new ATOM 0 HD22 LEU A 79 -3.155 9.075 2.158 1.00 12.22 H new ATOM 0 HD23 LEU A 79 -2.009 10.246 1.462 1.00 12.22 H new ATOM 1209 N ARG A 80 -0.160 11.192 6.131 1.00 2.30 N ATOM 1210 CA ARG A 80 -0.349 11.809 7.450 1.00 51.10 C ATOM 1211 C ARG A 80 -0.154 13.334 7.383 1.00 34.14 C ATOM 1212 O ARG A 80 -0.747 14.080 8.163 1.00 75.34 O ATOM 1213 CB ARG A 80 0.579 11.178 8.497 1.00 74.23 C ATOM 1214 CG ARG A 80 2.060 11.223 8.145 1.00 12.30 C ATOM 1215 CD ARG A 80 2.896 10.474 9.174 1.00 22.15 C ATOM 1216 NE ARG A 80 2.407 9.109 9.380 1.00 54.13 N ATOM 1217 CZ ARG A 80 2.823 8.317 10.329 1.00 11.23 C ATOM 1218 NH1 ARG A 80 3.756 8.697 11.142 1.00 53.43 N ATOM 1219 NH2 ARG A 80 2.304 7.136 10.461 1.00 13.45 N ATOM 0 H ARG A 80 0.639 10.562 6.064 1.00 2.30 H new ATOM 0 HA ARG A 80 -1.376 11.618 7.760 1.00 51.10 H new ATOM 0 HB2 ARG A 80 0.430 11.688 9.449 1.00 74.23 H new ATOM 0 HB3 ARG A 80 0.286 10.138 8.643 1.00 74.23 H new ATOM 0 HG2 ARG A 80 2.215 10.785 7.159 1.00 12.30 H new ATOM 0 HG3 ARG A 80 2.391 12.260 8.089 1.00 12.30 H new ATOM 0 HD2 ARG A 80 3.935 10.443 8.846 1.00 22.15 H new ATOM 0 HD3 ARG A 80 2.877 11.014 10.121 1.00 22.15 H new ATOM 0 HE ARG A 80 1.696 8.755 8.740 1.00 54.13 H new ATOM 0 HH11 ARG A 80 4.172 9.623 11.043 1.00 53.43 H new ATOM 0 HH12 ARG A 80 4.075 8.071 11.881 1.00 53.43 H new ATOM 0 HH21 ARG A 80 1.571 6.827 9.823 1.00 13.45 H new ATOM 0 HH22 ARG A 80 2.629 6.516 11.203 1.00 13.45 H new ATOM 1233 N SER A 81 0.677 13.790 6.439 1.00 12.12 N ATOM 1234 CA SER A 81 0.791 15.227 6.132 1.00 63.43 C ATOM 1235 C SER A 81 -0.528 15.770 5.550 1.00 72.44 C ATOM 1236 O SER A 81 -0.880 16.935 5.752 1.00 21.32 O ATOM 1237 CB SER A 81 1.939 15.478 5.138 1.00 72.01 C ATOM 1238 OG SER A 81 2.071 16.859 4.833 1.00 22.34 O ATOM 0 H SER A 81 1.279 13.191 5.875 1.00 12.12 H new ATOM 0 HA SER A 81 1.005 15.752 7.063 1.00 63.43 H new ATOM 0 HB2 SER A 81 2.873 15.106 5.558 1.00 72.01 H new ATOM 0 HB3 SER A 81 1.757 14.918 4.221 1.00 72.01 H new ATOM 0 HG SER A 81 2.809 16.985 4.201 1.00 22.34 H new ATOM 1244 N ALA A 82 -1.256 14.910 4.834 1.00 3.43 N ATOM 1245 CA ALA A 82 -2.554 15.273 4.246 1.00 24.25 C ATOM 1246 C ALA A 82 -3.713 15.124 5.256 1.00 31.41 C ATOM 1247 O ALA A 82 -4.877 15.339 4.913 1.00 72.13 O ATOM 1248 CB ALA A 82 -2.823 14.431 2.999 1.00 41.01 C ATOM 0 H ALA A 82 -0.969 13.950 4.645 1.00 3.43 H new ATOM 0 HA ALA A 82 -2.503 16.325 3.966 1.00 24.25 H new ATOM 0 HB1 ALA A 82 -3.787 14.709 2.573 1.00 41.01 H new ATOM 0 HB2 ALA A 82 -2.037 14.607 2.264 1.00 41.01 H new ATOM 0 HB3 ALA A 82 -2.837 13.375 3.269 1.00 41.01 H new ATOM 1254 N GLY A 83 -3.395 14.741 6.496 1.00 43.33 N ATOM 1255 CA GLY A 83 -4.412 14.673 7.546 1.00 33.01 C ATOM 1256 C GLY A 83 -4.814 13.255 7.942 1.00 53.00 C ATOM 1257 O GLY A 83 -5.418 13.055 8.998 1.00 10.03 O ATOM 0 H GLY A 83 -2.456 14.477 6.793 1.00 43.33 H new ATOM 0 HA2 GLY A 83 -4.040 15.193 8.429 1.00 33.01 H new ATOM 0 HA3 GLY A 83 -5.300 15.209 7.211 1.00 33.01 H new ATOM 1261 N PHE A 84 -4.498 12.271 7.099 1.00 44.33 N ATOM 1262 CA PHE A 84 -4.879 10.874 7.361 1.00 15.20 C ATOM 1263 C PHE A 84 -4.375 10.379 8.730 1.00 62.11 C ATOM 1264 O PHE A 84 -3.169 10.260 8.965 1.00 71.44 O ATOM 1265 CB PHE A 84 -4.363 9.958 6.245 1.00 35.23 C ATOM 1266 CG PHE A 84 -5.012 10.205 4.908 1.00 13.43 C ATOM 1267 CD1 PHE A 84 -4.515 11.172 4.047 1.00 72.21 C ATOM 1268 CD2 PHE A 84 -6.119 9.470 4.511 1.00 41.31 C ATOM 1269 CE1 PHE A 84 -5.109 11.401 2.825 1.00 55.23 C ATOM 1270 CE2 PHE A 84 -6.716 9.697 3.289 1.00 33.53 C ATOM 1271 CZ PHE A 84 -6.210 10.662 2.446 1.00 24.03 C ATOM 0 H PHE A 84 -3.981 12.410 6.231 1.00 44.33 H new ATOM 0 HA PHE A 84 -5.968 10.838 7.381 1.00 15.20 H new ATOM 0 HB2 PHE A 84 -3.286 10.092 6.146 1.00 35.23 H new ATOM 0 HB3 PHE A 84 -4.530 8.920 6.533 1.00 35.23 H new ATOM 0 HD1 PHE A 84 -3.652 11.753 4.338 1.00 72.21 H new ATOM 0 HD2 PHE A 84 -6.518 8.711 5.167 1.00 41.31 H new ATOM 0 HE1 PHE A 84 -4.713 12.158 2.165 1.00 55.23 H new ATOM 0 HE2 PHE A 84 -7.579 9.119 2.993 1.00 33.53 H new ATOM 0 HZ PHE A 84 -6.676 10.840 1.488 1.00 24.03 H new ATOM 1281 N GLU A 85 -5.320 10.103 9.627 1.00 32.03 N ATOM 1282 CA GLU A 85 -5.018 9.594 10.970 1.00 72.22 C ATOM 1283 C GLU A 85 -4.441 8.171 10.917 1.00 31.20 C ATOM 1284 O GLU A 85 -3.404 7.883 11.520 1.00 15.51 O ATOM 1285 CB GLU A 85 -6.299 9.596 11.824 1.00 73.34 C ATOM 1286 CG GLU A 85 -6.884 10.984 12.070 1.00 4.04 C ATOM 1287 CD GLU A 85 -8.163 10.941 12.895 1.00 72.44 C ATOM 1288 OE1 GLU A 85 -9.229 10.608 12.334 1.00 13.22 O ATOM 1289 OE2 GLU A 85 -8.108 11.218 14.113 1.00 2.54 O ATOM 0 H GLU A 85 -6.317 10.225 9.447 1.00 32.03 H new ATOM 0 HA GLU A 85 -4.269 10.248 11.417 1.00 72.22 H new ATOM 0 HB2 GLU A 85 -7.051 8.979 11.332 1.00 73.34 H new ATOM 0 HB3 GLU A 85 -6.082 9.130 12.785 1.00 73.34 H new ATOM 0 HG2 GLU A 85 -6.145 11.600 12.583 1.00 4.04 H new ATOM 0 HG3 GLU A 85 -7.089 11.463 11.113 1.00 4.04 H new ATOM 1296 N HIS A 86 -5.114 7.284 10.184 1.00 42.42 N ATOM 1297 CA HIS A 86 -4.738 5.862 10.152 1.00 25.24 C ATOM 1298 C HIS A 86 -3.881 5.522 8.921 1.00 62.21 C ATOM 1299 O HIS A 86 -4.403 5.158 7.870 1.00 41.22 O ATOM 1300 CB HIS A 86 -6.001 4.983 10.180 1.00 61.53 C ATOM 1301 CG HIS A 86 -6.844 5.178 11.403 1.00 61.33 C ATOM 1302 ND1 HIS A 86 -7.271 4.139 12.199 1.00 63.25 N ATOM 1303 CD2 HIS A 86 -7.342 6.303 11.969 1.00 14.41 C ATOM 1304 CE1 HIS A 86 -7.984 4.619 13.198 1.00 51.31 C ATOM 1305 NE2 HIS A 86 -8.043 5.924 13.080 1.00 15.51 N ATOM 0 H HIS A 86 -5.920 7.519 9.605 1.00 42.42 H new ATOM 0 HA HIS A 86 -4.134 5.659 11.037 1.00 25.24 H new ATOM 0 HB2 HIS A 86 -6.602 5.199 9.297 1.00 61.53 H new ATOM 0 HB3 HIS A 86 -5.705 3.936 10.117 1.00 61.53 H new ATOM 0 HD1 HIS A 86 -7.067 3.152 12.040 1.00 63.25 H new ATOM 0 HD2 HIS A 86 -7.210 7.313 11.609 1.00 14.41 H new ATOM 0 HE1 HIS A 86 -8.443 4.036 13.982 1.00 51.31 H new ATOM 1314 N VAL A 87 -2.557 5.661 9.054 1.00 25.23 N ATOM 1315 CA VAL A 87 -1.626 5.344 7.959 1.00 24.00 C ATOM 1316 C VAL A 87 -0.445 4.490 8.449 1.00 33.43 C ATOM 1317 O VAL A 87 0.308 4.898 9.340 1.00 41.23 O ATOM 1318 CB VAL A 87 -1.067 6.622 7.283 1.00 32.52 C ATOM 1319 CG1 VAL A 87 -0.150 6.267 6.112 1.00 41.12 C ATOM 1320 CG2 VAL A 87 -2.202 7.530 6.823 1.00 21.32 C ATOM 0 H VAL A 87 -2.104 5.990 9.907 1.00 25.23 H new ATOM 0 HA VAL A 87 -2.205 4.779 7.228 1.00 24.00 H new ATOM 0 HB VAL A 87 -0.475 7.162 8.022 1.00 32.52 H new ATOM 0 HG11 VAL A 87 0.228 7.182 5.656 1.00 41.12 H new ATOM 0 HG12 VAL A 87 0.687 5.669 6.473 1.00 41.12 H new ATOM 0 HG13 VAL A 87 -0.710 5.697 5.371 1.00 41.12 H new ATOM 0 HG21 VAL A 87 -1.787 8.421 6.351 1.00 21.32 H new ATOM 0 HG22 VAL A 87 -2.826 6.997 6.106 1.00 21.32 H new ATOM 0 HG23 VAL A 87 -2.805 7.822 7.682 1.00 21.32 H new ATOM 1330 N SER A 88 -0.286 3.318 7.843 1.00 2.21 N ATOM 1331 CA SER A 88 0.795 2.385 8.185 1.00 34.23 C ATOM 1332 C SER A 88 1.514 1.896 6.920 1.00 73.52 C ATOM 1333 O SER A 88 1.079 2.174 5.800 1.00 32.54 O ATOM 1334 CB SER A 88 0.233 1.192 8.971 1.00 70.52 C ATOM 1335 OG SER A 88 -0.816 0.555 8.259 1.00 3.20 O ATOM 0 H SER A 88 -0.900 2.983 7.100 1.00 2.21 H new ATOM 0 HA SER A 88 1.519 2.911 8.808 1.00 34.23 H new ATOM 0 HB2 SER A 88 1.030 0.475 9.167 1.00 70.52 H new ATOM 0 HB3 SER A 88 -0.135 1.532 9.939 1.00 70.52 H new ATOM 0 HG SER A 88 -0.728 -0.417 8.347 1.00 3.20 H new ATOM 1341 N GLU A 89 2.614 1.166 7.095 1.00 62.25 N ATOM 1342 CA GLU A 89 3.441 0.730 5.962 1.00 73.12 C ATOM 1343 C GLU A 89 3.640 -0.797 5.934 1.00 74.13 C ATOM 1344 O GLU A 89 3.405 -1.494 6.928 1.00 74.20 O ATOM 1345 CB GLU A 89 4.796 1.460 5.994 1.00 32.51 C ATOM 1346 CG GLU A 89 5.589 1.274 7.290 1.00 45.33 C ATOM 1347 CD GLU A 89 6.789 0.353 7.132 1.00 71.34 C ATOM 1348 OE1 GLU A 89 6.611 -0.879 7.161 1.00 62.52 O ATOM 1349 OE2 GLU A 89 7.922 0.864 6.984 1.00 60.20 O ATOM 0 H GLU A 89 2.956 0.863 8.007 1.00 62.25 H new ATOM 0 HA GLU A 89 2.912 0.991 5.045 1.00 73.12 H new ATOM 0 HB2 GLU A 89 5.403 1.110 5.159 1.00 32.51 H new ATOM 0 HB3 GLU A 89 4.624 2.525 5.838 1.00 32.51 H new ATOM 0 HG2 GLU A 89 5.930 2.247 7.642 1.00 45.33 H new ATOM 0 HG3 GLU A 89 4.928 0.871 8.058 1.00 45.33 H new ATOM 1356 N LEU A 90 4.062 -1.306 4.776 1.00 34.33 N ATOM 1357 CA LEU A 90 4.258 -2.747 4.579 1.00 71.20 C ATOM 1358 C LEU A 90 5.729 -3.081 4.275 1.00 72.02 C ATOM 1359 O LEU A 90 6.293 -2.614 3.283 1.00 41.32 O ATOM 1360 CB LEU A 90 3.369 -3.238 3.427 1.00 31.24 C ATOM 1361 CG LEU A 90 3.246 -4.765 3.302 1.00 32.20 C ATOM 1362 CD1 LEU A 90 2.592 -5.351 4.550 1.00 64.33 C ATOM 1363 CD2 LEU A 90 2.463 -5.146 2.045 1.00 54.01 C ATOM 0 H LEU A 90 4.276 -0.740 3.955 1.00 34.33 H new ATOM 0 HA LEU A 90 3.981 -3.253 5.504 1.00 71.20 H new ATOM 0 HB2 LEU A 90 2.371 -2.818 3.555 1.00 31.24 H new ATOM 0 HB3 LEU A 90 3.764 -2.843 2.491 1.00 31.24 H new ATOM 0 HG LEU A 90 4.248 -5.185 3.212 1.00 32.20 H new ATOM 0 HD11 LEU A 90 2.512 -6.433 4.445 1.00 64.33 H new ATOM 0 HD12 LEU A 90 3.199 -5.115 5.424 1.00 64.33 H new ATOM 0 HD13 LEU A 90 1.597 -4.924 4.674 1.00 64.33 H new ATOM 0 HD21 LEU A 90 2.389 -6.231 1.978 1.00 54.01 H new ATOM 0 HD22 LEU A 90 1.463 -4.716 2.095 1.00 54.01 H new ATOM 0 HD23 LEU A 90 2.979 -4.762 1.165 1.00 54.01 H new ATOM 1375 N LYS A 91 6.338 -3.905 5.122 1.00 33.12 N ATOM 1376 CA LYS A 91 7.738 -4.302 4.946 1.00 25.04 C ATOM 1377 C LYS A 91 7.898 -5.430 3.914 1.00 60.52 C ATOM 1378 O LYS A 91 7.088 -6.357 3.844 1.00 11.03 O ATOM 1379 CB LYS A 91 8.345 -4.724 6.293 1.00 74.42 C ATOM 1380 CG LYS A 91 8.520 -3.586 7.304 1.00 14.40 C ATOM 1381 CD LYS A 91 9.701 -2.660 6.974 1.00 34.32 C ATOM 1382 CE LYS A 91 9.410 -1.708 5.812 1.00 21.10 C ATOM 1383 NZ LYS A 91 10.490 -0.704 5.608 1.00 41.22 N ATOM 0 H LYS A 91 5.886 -4.314 5.940 1.00 33.12 H new ATOM 0 HA LYS A 91 8.275 -3.434 4.563 1.00 25.04 H new ATOM 0 HB2 LYS A 91 7.711 -5.491 6.737 1.00 74.42 H new ATOM 0 HB3 LYS A 91 9.317 -5.181 6.110 1.00 74.42 H new ATOM 0 HG2 LYS A 91 7.604 -2.997 7.340 1.00 14.40 H new ATOM 0 HG3 LYS A 91 8.666 -4.010 8.297 1.00 14.40 H new ATOM 0 HD2 LYS A 91 9.956 -2.077 7.859 1.00 34.32 H new ATOM 0 HD3 LYS A 91 10.573 -3.266 6.730 1.00 34.32 H new ATOM 0 HE2 LYS A 91 9.280 -2.287 4.897 1.00 21.10 H new ATOM 0 HE3 LYS A 91 8.469 -1.191 5.998 1.00 21.10 H new ATOM 0 HZ1 LYS A 91 10.071 0.243 5.516 1.00 41.22 H new ATOM 0 HZ2 LYS A 91 11.136 -0.719 6.423 1.00 41.22 H new ATOM 0 HZ3 LYS A 91 11.019 -0.934 4.743 1.00 41.22 H new ATOM 1397 N GLY A 92 8.958 -5.337 3.115 1.00 4.22 N ATOM 1398 CA GLY A 92 9.222 -6.330 2.079 1.00 51.54 C ATOM 1399 C GLY A 92 8.611 -5.967 0.727 1.00 12.43 C ATOM 1400 O GLY A 92 9.060 -6.449 -0.317 1.00 54.54 O ATOM 0 H GLY A 92 9.646 -4.586 3.165 1.00 4.22 H new ATOM 0 HA2 GLY A 92 10.300 -6.447 1.964 1.00 51.54 H new ATOM 0 HA3 GLY A 92 8.829 -7.294 2.401 1.00 51.54 H new ATOM 1404 N GLY A 93 7.575 -5.128 0.748 1.00 22.24 N ATOM 1405 CA GLY A 93 6.932 -4.689 -0.487 1.00 71.42 C ATOM 1406 C GLY A 93 6.197 -5.806 -1.227 1.00 33.51 C ATOM 1407 O GLY A 93 5.888 -6.854 -0.652 1.00 72.23 O ATOM 0 H GLY A 93 7.167 -4.742 1.600 1.00 22.24 H new ATOM 0 HA2 GLY A 93 6.225 -3.892 -0.255 1.00 71.42 H new ATOM 0 HA3 GLY A 93 7.687 -4.263 -1.148 1.00 71.42 H new ATOM 1411 N LEU A 94 5.927 -5.582 -2.511 1.00 64.30 N ATOM 1412 CA LEU A 94 5.195 -6.551 -3.338 1.00 62.02 C ATOM 1413 C LEU A 94 5.946 -7.892 -3.462 1.00 5.14 C ATOM 1414 O LEU A 94 5.342 -8.962 -3.404 1.00 14.21 O ATOM 1415 CB LEU A 94 4.948 -5.963 -4.733 1.00 43.43 C ATOM 1416 CG LEU A 94 4.114 -6.840 -5.681 1.00 43.40 C ATOM 1417 CD1 LEU A 94 2.696 -7.022 -5.145 1.00 1.35 C ATOM 1418 CD2 LEU A 94 4.096 -6.244 -7.086 1.00 54.12 C ATOM 0 H LEU A 94 6.204 -4.735 -3.007 1.00 64.30 H new ATOM 0 HA LEU A 94 4.244 -6.751 -2.845 1.00 62.02 H new ATOM 0 HB2 LEU A 94 4.447 -5.002 -4.620 1.00 43.43 H new ATOM 0 HB3 LEU A 94 5.912 -5.766 -5.202 1.00 43.43 H new ATOM 0 HG LEU A 94 4.579 -7.824 -5.736 1.00 43.40 H new ATOM 0 HD11 LEU A 94 2.125 -7.646 -5.832 1.00 1.35 H new ATOM 0 HD12 LEU A 94 2.735 -7.502 -4.167 1.00 1.35 H new ATOM 0 HD13 LEU A 94 2.214 -6.049 -5.053 1.00 1.35 H new ATOM 0 HD21 LEU A 94 3.501 -6.879 -7.743 1.00 54.12 H new ATOM 0 HD22 LEU A 94 3.659 -5.246 -7.052 1.00 54.12 H new ATOM 0 HD23 LEU A 94 5.115 -6.181 -7.468 1.00 54.12 H new ATOM 1430 N ALA A 95 7.265 -7.828 -3.628 1.00 52.35 N ATOM 1431 CA ALA A 95 8.080 -9.037 -3.795 1.00 53.53 C ATOM 1432 C ALA A 95 7.966 -9.982 -2.585 1.00 54.03 C ATOM 1433 O ALA A 95 7.877 -11.195 -2.754 1.00 72.14 O ATOM 1434 CB ALA A 95 9.534 -8.658 -4.047 1.00 65.23 C ATOM 0 H ALA A 95 7.794 -6.956 -3.651 1.00 52.35 H new ATOM 0 HA ALA A 95 7.697 -9.578 -4.661 1.00 53.53 H new ATOM 0 HB1 ALA A 95 10.130 -9.563 -4.169 1.00 65.23 H new ATOM 0 HB2 ALA A 95 9.601 -8.054 -4.952 1.00 65.23 H new ATOM 0 HB3 ALA A 95 9.913 -8.086 -3.200 1.00 65.23 H new ATOM 1440 N ALA A 96 7.968 -9.430 -1.370 1.00 12.50 N ATOM 1441 CA ALA A 96 7.758 -10.241 -0.163 1.00 22.02 C ATOM 1442 C ALA A 96 6.352 -10.851 -0.153 1.00 71.55 C ATOM 1443 O ALA A 96 6.178 -12.040 0.117 1.00 13.45 O ATOM 1444 CB ALA A 96 7.986 -9.406 1.090 1.00 72.20 C ATOM 0 H ALA A 96 8.111 -8.436 -1.193 1.00 12.50 H new ATOM 0 HA ALA A 96 8.482 -11.055 -0.172 1.00 22.02 H new ATOM 0 HB1 ALA A 96 7.826 -10.024 1.973 1.00 72.20 H new ATOM 0 HB2 ALA A 96 9.008 -9.026 1.093 1.00 72.20 H new ATOM 0 HB3 ALA A 96 7.288 -8.569 1.101 1.00 72.20 H new ATOM 1450 N TRP A 97 5.355 -10.025 -0.470 1.00 53.12 N ATOM 1451 CA TRP A 97 3.966 -10.483 -0.608 1.00 33.13 C ATOM 1452 C TRP A 97 3.880 -11.701 -1.544 1.00 32.34 C ATOM 1453 O TRP A 97 3.109 -12.634 -1.313 1.00 43.25 O ATOM 1454 CB TRP A 97 3.106 -9.338 -1.157 1.00 12.02 C ATOM 1455 CG TRP A 97 1.639 -9.656 -1.251 1.00 3.12 C ATOM 1456 CD1 TRP A 97 0.977 -10.195 -2.316 1.00 33.13 C ATOM 1457 CD2 TRP A 97 0.652 -9.428 -0.242 1.00 51.22 C ATOM 1458 NE1 TRP A 97 -0.359 -10.318 -2.027 1.00 70.11 N ATOM 1459 CE2 TRP A 97 -0.584 -9.853 -0.760 1.00 71.33 C ATOM 1460 CE3 TRP A 97 0.699 -8.906 1.050 1.00 41.33 C ATOM 1461 CZ2 TRP A 97 -1.766 -9.772 -0.030 1.00 5.13 C ATOM 1462 CZ3 TRP A 97 -0.473 -8.825 1.777 1.00 65.11 C ATOM 1463 CH2 TRP A 97 -1.693 -9.253 1.234 1.00 1.42 C ATOM 0 H TRP A 97 5.482 -9.027 -0.638 1.00 53.12 H new ATOM 0 HA TRP A 97 3.596 -10.783 0.373 1.00 33.13 H new ATOM 0 HB2 TRP A 97 3.236 -8.464 -0.519 1.00 12.02 H new ATOM 0 HB3 TRP A 97 3.471 -9.067 -2.148 1.00 12.02 H new ATOM 0 HD1 TRP A 97 1.437 -10.483 -3.250 1.00 33.13 H new ATOM 0 HE1 TRP A 97 -1.069 -10.695 -2.655 1.00 70.11 H new ATOM 0 HE3 TRP A 97 1.634 -8.571 1.474 1.00 41.33 H new ATOM 0 HZ2 TRP A 97 -2.705 -10.106 -0.445 1.00 5.13 H new ATOM 0 HZ3 TRP A 97 -0.449 -8.425 2.780 1.00 65.11 H new ATOM 0 HH2 TRP A 97 -2.593 -9.171 1.825 1.00 1.42 H new ATOM 1474 N LYS A 98 4.678 -11.679 -2.604 1.00 31.03 N ATOM 1475 CA LYS A 98 4.735 -12.785 -3.562 1.00 41.51 C ATOM 1476 C LYS A 98 5.584 -13.963 -3.043 1.00 14.32 C ATOM 1477 O LYS A 98 5.222 -15.127 -3.226 1.00 64.02 O ATOM 1478 CB LYS A 98 5.280 -12.273 -4.901 1.00 60.32 C ATOM 1479 CG LYS A 98 4.396 -11.196 -5.518 1.00 42.33 C ATOM 1480 CD LYS A 98 4.714 -10.948 -6.986 1.00 11.42 C ATOM 1481 CE LYS A 98 6.117 -10.398 -7.203 1.00 14.01 C ATOM 1482 NZ LYS A 98 6.352 -10.072 -8.634 1.00 30.42 N ATOM 0 H LYS A 98 5.301 -10.902 -2.826 1.00 31.03 H new ATOM 0 HA LYS A 98 3.723 -13.165 -3.699 1.00 41.51 H new ATOM 0 HB2 LYS A 98 6.283 -11.874 -4.752 1.00 60.32 H new ATOM 0 HB3 LYS A 98 5.369 -13.108 -5.596 1.00 60.32 H new ATOM 0 HG2 LYS A 98 3.351 -11.489 -5.421 1.00 42.33 H new ATOM 0 HG3 LYS A 98 4.519 -10.267 -4.961 1.00 42.33 H new ATOM 0 HD2 LYS A 98 4.605 -11.881 -7.539 1.00 11.42 H new ATOM 0 HD3 LYS A 98 3.987 -10.248 -7.397 1.00 11.42 H new ATOM 0 HE2 LYS A 98 6.258 -9.504 -6.596 1.00 14.01 H new ATOM 0 HE3 LYS A 98 6.853 -11.129 -6.868 1.00 14.01 H new ATOM 0 HZ1 LYS A 98 7.316 -9.699 -8.751 1.00 30.42 H new ATOM 0 HZ2 LYS A 98 6.241 -10.932 -9.209 1.00 30.42 H new ATOM 0 HZ3 LYS A 98 5.664 -9.356 -8.945 1.00 30.42 H new ATOM 1496 N ALA A 99 6.702 -13.654 -2.391 1.00 2.32 N ATOM 1497 CA ALA A 99 7.607 -14.682 -1.853 1.00 71.43 C ATOM 1498 C ALA A 99 6.912 -15.546 -0.788 1.00 22.42 C ATOM 1499 O ALA A 99 7.193 -16.740 -0.653 1.00 52.42 O ATOM 1500 CB ALA A 99 8.855 -14.028 -1.271 1.00 64.40 C ATOM 0 H ALA A 99 7.009 -12.697 -2.219 1.00 2.32 H new ATOM 0 HA ALA A 99 7.895 -15.338 -2.675 1.00 71.43 H new ATOM 0 HB1 ALA A 99 9.518 -14.797 -0.875 1.00 64.40 H new ATOM 0 HB2 ALA A 99 9.371 -13.470 -2.052 1.00 64.40 H new ATOM 0 HB3 ALA A 99 8.569 -13.348 -0.469 1.00 64.40 H new ATOM 1506 N ILE A 100 6.003 -14.929 -0.039 1.00 42.23 N ATOM 1507 CA ILE A 100 5.209 -15.631 0.977 1.00 52.55 C ATOM 1508 C ILE A 100 4.004 -16.359 0.343 1.00 2.23 C ATOM 1509 O ILE A 100 3.227 -17.024 1.033 1.00 24.11 O ATOM 1510 CB ILE A 100 4.688 -14.636 2.046 1.00 44.22 C ATOM 1511 CG1 ILE A 100 3.670 -13.683 1.398 1.00 44.43 C ATOM 1512 CG2 ILE A 100 5.852 -13.859 2.670 1.00 35.44 C ATOM 1513 CD1 ILE A 100 3.124 -12.619 2.316 1.00 71.30 C ATOM 0 H ILE A 100 5.793 -13.934 -0.115 1.00 42.23 H new ATOM 0 HA ILE A 100 5.862 -16.367 1.446 1.00 52.55 H new ATOM 0 HB ILE A 100 4.195 -15.188 2.846 1.00 44.22 H new ATOM 0 HG12 ILE A 100 4.141 -13.198 0.543 1.00 44.43 H new ATOM 0 HG13 ILE A 100 2.838 -14.271 1.012 1.00 44.43 H new ATOM 0 HG21 ILE A 100 5.467 -13.166 3.418 1.00 35.44 H new ATOM 0 HG22 ILE A 100 6.543 -14.557 3.143 1.00 35.44 H new ATOM 0 HG23 ILE A 100 6.375 -13.301 1.893 1.00 35.44 H new ATOM 0 HD11 ILE A 100 2.415 -11.996 1.770 1.00 71.30 H new ATOM 0 HD12 ILE A 100 2.619 -13.090 3.159 1.00 71.30 H new ATOM 0 HD13 ILE A 100 3.943 -12.000 2.683 1.00 71.30 H new ATOM 1525 N GLY A 101 3.846 -16.213 -0.971 1.00 64.20 N ATOM 1526 CA GLY A 101 2.729 -16.832 -1.677 1.00 2.42 C ATOM 1527 C GLY A 101 1.402 -16.105 -1.459 1.00 14.31 C ATOM 1528 O GLY A 101 0.376 -16.734 -1.200 1.00 32.52 O ATOM 0 H GLY A 101 4.475 -15.673 -1.565 1.00 64.20 H new ATOM 0 HA2 GLY A 101 2.951 -16.857 -2.744 1.00 2.42 H new ATOM 0 HA3 GLY A 101 2.628 -17.866 -1.348 1.00 2.42 H new ATOM 1532 N GLY A 102 1.426 -14.776 -1.532 1.00 21.13 N ATOM 1533 CA GLY A 102 0.213 -13.983 -1.358 1.00 73.35 C ATOM 1534 C GLY A 102 -0.601 -13.807 -2.641 1.00 1.22 C ATOM 1535 O GLY A 102 -0.087 -14.001 -3.746 1.00 13.52 O ATOM 0 H GLY A 102 2.268 -14.228 -1.710 1.00 21.13 H new ATOM 0 HA2 GLY A 102 -0.414 -14.457 -0.603 1.00 73.35 H new ATOM 0 HA3 GLY A 102 0.485 -13.000 -0.974 1.00 73.35 H new ATOM 1539 N PRO A 103 -1.891 -13.437 -2.517 1.00 0.53 N ATOM 1540 CA PRO A 103 -2.770 -13.192 -3.678 1.00 62.34 C ATOM 1541 C PRO A 103 -2.358 -11.943 -4.483 1.00 12.15 C ATOM 1542 O PRO A 103 -2.372 -10.823 -3.966 1.00 34.32 O ATOM 1543 CB PRO A 103 -4.152 -13.006 -3.035 1.00 42.11 C ATOM 1544 CG PRO A 103 -3.872 -12.550 -1.643 1.00 72.11 C ATOM 1545 CD PRO A 103 -2.602 -13.248 -1.235 1.00 50.54 C ATOM 0 HA PRO A 103 -2.730 -14.005 -4.403 1.00 62.34 H new ATOM 0 HB2 PRO A 103 -4.745 -12.271 -3.579 1.00 42.11 H new ATOM 0 HB3 PRO A 103 -4.718 -13.938 -3.039 1.00 42.11 H new ATOM 0 HG2 PRO A 103 -3.755 -11.467 -1.602 1.00 72.11 H new ATOM 0 HG3 PRO A 103 -4.693 -12.807 -0.974 1.00 72.11 H new ATOM 0 HD2 PRO A 103 -2.019 -12.647 -0.537 1.00 50.54 H new ATOM 0 HD3 PRO A 103 -2.806 -14.200 -0.744 1.00 50.54 H new ATOM 1553 N THR A 104 -2.002 -12.138 -5.754 1.00 34.10 N ATOM 1554 CA THR A 104 -1.439 -11.050 -6.577 1.00 72.21 C ATOM 1555 C THR A 104 -2.218 -10.806 -7.877 1.00 41.44 C ATOM 1556 O THR A 104 -2.966 -11.664 -8.351 1.00 2.53 O ATOM 1557 CB THR A 104 0.041 -11.326 -6.943 1.00 43.44 C ATOM 1558 OG1 THR A 104 0.160 -12.549 -7.694 1.00 13.42 O ATOM 1559 CG2 THR A 104 0.904 -11.413 -5.690 1.00 23.30 C ATOM 0 H THR A 104 -2.090 -13.031 -6.239 1.00 34.10 H new ATOM 0 HA THR A 104 -1.517 -10.157 -5.957 1.00 72.21 H new ATOM 0 HB THR A 104 0.391 -10.495 -7.556 1.00 43.44 H new ATOM 0 HG1 THR A 104 1.101 -12.705 -7.917 1.00 13.42 H new ATOM 0 HG21 THR A 104 1.938 -11.607 -5.973 1.00 23.30 H new ATOM 0 HG22 THR A 104 0.848 -10.471 -5.144 1.00 23.30 H new ATOM 0 HG23 THR A 104 0.544 -12.223 -5.055 1.00 23.30 H new ATOM 1567 N GLU A 105 -2.001 -9.629 -8.458 1.00 64.24 N ATOM 1568 CA GLU A 105 -2.656 -9.217 -9.708 1.00 11.52 C ATOM 1569 C GLU A 105 -1.664 -8.533 -10.645 1.00 11.31 C ATOM 1570 O GLU A 105 -0.524 -8.269 -10.281 1.00 14.43 O ATOM 1571 CB GLU A 105 -3.802 -8.228 -9.449 1.00 41.32 C ATOM 1572 CG GLU A 105 -5.039 -8.821 -8.803 1.00 24.34 C ATOM 1573 CD GLU A 105 -6.143 -7.783 -8.656 1.00 4.25 C ATOM 1574 OE1 GLU A 105 -5.973 -6.839 -7.856 1.00 30.32 O ATOM 1575 OE2 GLU A 105 -7.162 -7.880 -9.371 1.00 24.42 O ATOM 0 H GLU A 105 -1.365 -8.928 -8.078 1.00 64.24 H new ATOM 0 HA GLU A 105 -3.048 -10.127 -10.162 1.00 11.52 H new ATOM 0 HB2 GLU A 105 -3.430 -7.425 -8.812 1.00 41.32 H new ATOM 0 HB3 GLU A 105 -4.090 -7.775 -10.398 1.00 41.32 H new ATOM 0 HG2 GLU A 105 -5.400 -9.655 -9.404 1.00 24.34 H new ATOM 0 HG3 GLU A 105 -4.782 -9.222 -7.823 1.00 24.34 H new ATOM 1582 N GLY A 106 -2.122 -8.221 -11.849 1.00 73.34 N ATOM 1583 CA GLY A 106 -1.301 -7.459 -12.781 1.00 13.40 C ATOM 1584 C GLY A 106 -1.376 -7.963 -14.212 1.00 22.30 C ATOM 1585 O GLY A 106 -1.447 -9.167 -14.454 1.00 43.51 O ATOM 0 H GLY A 106 -3.044 -8.479 -12.201 1.00 73.34 H new ATOM 0 HA2 GLY A 106 -1.612 -6.415 -12.756 1.00 13.40 H new ATOM 0 HA3 GLY A 106 -0.264 -7.491 -12.448 1.00 13.40 H new ATOM 1589 N ILE A 107 -1.354 -7.032 -15.160 1.00 42.34 N ATOM 1590 CA ILE A 107 -1.351 -7.365 -16.582 1.00 5.44 C ATOM 1591 C ILE A 107 -0.148 -8.259 -16.925 1.00 34.34 C ATOM 1592 O ILE A 107 -0.259 -9.194 -17.719 1.00 32.04 O ATOM 1593 CB ILE A 107 -1.317 -6.080 -17.452 1.00 2.34 C ATOM 1594 CG1 ILE A 107 -2.451 -5.121 -17.037 1.00 25.23 C ATOM 1595 CG2 ILE A 107 -1.415 -6.428 -18.938 1.00 34.45 C ATOM 1596 CD1 ILE A 107 -2.541 -3.862 -17.881 1.00 73.23 C ATOM 0 H ILE A 107 -1.338 -6.031 -14.967 1.00 42.34 H new ATOM 0 HA ILE A 107 -2.270 -7.909 -16.800 1.00 5.44 H new ATOM 0 HB ILE A 107 -0.364 -5.577 -17.287 1.00 2.34 H new ATOM 0 HG12 ILE A 107 -3.401 -5.653 -17.095 1.00 25.23 H new ATOM 0 HG13 ILE A 107 -2.308 -4.837 -15.994 1.00 25.23 H new ATOM 0 HG21 ILE A 107 -1.389 -5.512 -19.529 1.00 34.45 H new ATOM 0 HG22 ILE A 107 -0.576 -7.065 -19.219 1.00 34.45 H new ATOM 0 HG23 ILE A 107 -2.350 -6.956 -19.127 1.00 34.45 H new ATOM 0 HD11 ILE A 107 -3.364 -3.242 -17.524 1.00 73.23 H new ATOM 0 HD12 ILE A 107 -1.607 -3.305 -17.804 1.00 73.23 H new ATOM 0 HD13 ILE A 107 -2.717 -4.134 -18.922 1.00 73.23 H new ATOM 1608 N ILE A 108 1.006 -7.968 -16.317 1.00 55.42 N ATOM 1609 CA ILE A 108 2.198 -8.814 -16.491 1.00 44.43 C ATOM 1610 C ILE A 108 2.286 -9.899 -15.405 1.00 70.44 C ATOM 1611 O ILE A 108 2.551 -11.071 -15.684 1.00 53.01 O ATOM 1612 CB ILE A 108 3.507 -7.970 -16.497 1.00 73.23 C ATOM 1613 CG1 ILE A 108 3.639 -7.158 -17.803 1.00 22.22 C ATOM 1614 CG2 ILE A 108 4.738 -8.859 -16.298 1.00 74.00 C ATOM 1615 CD1 ILE A 108 2.570 -6.102 -18.004 1.00 40.13 C ATOM 0 H ILE A 108 1.143 -7.163 -15.706 1.00 55.42 H new ATOM 0 HA ILE A 108 2.094 -9.300 -17.461 1.00 44.43 H new ATOM 0 HB ILE A 108 3.450 -7.271 -15.662 1.00 73.23 H new ATOM 0 HG12 ILE A 108 4.616 -6.674 -17.817 1.00 22.22 H new ATOM 0 HG13 ILE A 108 3.613 -7.847 -18.647 1.00 22.22 H new ATOM 0 HG21 ILE A 108 5.637 -8.243 -16.307 1.00 74.00 H new ATOM 0 HG22 ILE A 108 4.662 -9.377 -15.342 1.00 74.00 H new ATOM 0 HG23 ILE A 108 4.792 -9.591 -17.104 1.00 74.00 H new ATOM 0 HD11 ILE A 108 2.744 -5.583 -18.947 1.00 40.13 H new ATOM 0 HD12 ILE A 108 1.589 -6.577 -18.027 1.00 40.13 H new ATOM 0 HD13 ILE A 108 2.607 -5.386 -17.183 1.00 40.13 H new