USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 639 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -81:sc= 0.0442 USER MOD Single : A 42 GLN : amide:sc= 1.19 K(o=1.2,f=-0.74) USER MOD Single : A 43 GLN : amide:sc= -0.986 X(o=-0.99,f=-0.57) USER MOD Single : A 44 TYR OH : rot -146:sc= -0.207 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.8!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.74 K(o=-1.7,f=-9.7!) USER MOD Single : A 64 MET CE :methyl -158:sc= -2.79! (180deg=-3.29!) USER MOD Single : A 67 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.72) USER MOD Single : A 75 SER OG : rot -66:sc= 0.639 USER MOD Single : A 78 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.26) USER MOD Single : A 79 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.015) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 89 SER OG : rot 159:sc= -0.546 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 16.009 7.540 5.565 1.00 0.00 N ATOM 2 CA MET A 21 15.616 8.904 5.901 1.00 52.33 C ATOM 3 C MET A 21 15.442 9.746 4.642 1.00 63.31 C ATOM 4 O MET A 21 14.663 10.700 4.624 1.00 71.25 O ATOM 5 CB MET A 21 16.657 9.546 6.820 1.00 2.52 C ATOM 6 CG MET A 21 16.317 9.435 8.297 1.00 60.21 C ATOM 7 SD MET A 21 16.348 7.732 8.889 1.00 13.12 S ATOM 8 CE MET A 21 15.254 7.845 10.303 1.00 51.14 C ATOM 0 HA MET A 21 14.660 8.862 6.422 1.00 52.33 H new ATOM 0 HB2 MET A 21 17.625 9.077 6.642 1.00 2.52 H new ATOM 0 HB3 MET A 21 16.761 10.599 6.558 1.00 2.52 H new ATOM 0 HG2 MET A 21 17.025 10.030 8.875 1.00 60.21 H new ATOM 0 HG3 MET A 21 15.328 9.859 8.471 1.00 60.21 H new ATOM 0 HE1 MET A 21 15.171 6.867 10.778 1.00 51.14 H new ATOM 0 HE2 MET A 21 15.657 8.562 11.018 1.00 51.14 H new ATOM 0 HE3 MET A 21 14.268 8.174 9.975 1.00 51.14 H new ATOM 18 N ILE A 22 16.173 9.388 3.591 1.00 72.20 N ATOM 19 CA ILE A 22 16.099 10.110 2.327 1.00 74.31 C ATOM 20 C ILE A 22 15.325 9.313 1.283 1.00 3.25 C ATOM 21 O ILE A 22 15.816 8.312 0.761 1.00 53.33 O ATOM 22 CB ILE A 22 17.502 10.430 1.778 1.00 25.52 C ATOM 23 CG1 ILE A 22 18.378 11.036 2.876 1.00 4.05 C ATOM 24 CG2 ILE A 22 17.404 11.374 0.589 1.00 31.33 C ATOM 25 CD1 ILE A 22 19.782 11.363 2.418 1.00 51.51 C ATOM 0 H ILE A 22 16.823 8.602 3.590 1.00 72.20 H new ATOM 0 HA ILE A 22 15.575 11.045 2.528 1.00 74.31 H new ATOM 0 HB ILE A 22 17.964 9.502 1.442 1.00 25.52 H new ATOM 0 HG12 ILE A 22 17.905 11.945 3.247 1.00 4.05 H new ATOM 0 HG13 ILE A 22 18.431 10.340 3.713 1.00 4.05 H new ATOM 0 HG21 ILE A 22 18.404 11.590 0.213 1.00 31.33 H new ATOM 0 HG22 ILE A 22 16.813 10.907 -0.199 1.00 31.33 H new ATOM 0 HG23 ILE A 22 16.925 12.302 0.900 1.00 31.33 H new ATOM 0 HD11 ILE A 22 20.346 11.789 3.248 1.00 51.51 H new ATOM 0 HD12 ILE A 22 20.274 10.453 2.074 1.00 51.51 H new ATOM 0 HD13 ILE A 22 19.740 12.083 1.601 1.00 51.51 H new ATOM 37 N SER A 23 14.113 9.766 0.979 1.00 14.52 N ATOM 38 CA SER A 23 13.269 9.094 -0.002 1.00 24.41 C ATOM 39 C SER A 23 13.216 9.886 -1.305 1.00 72.30 C ATOM 40 O SER A 23 13.761 9.464 -2.324 1.00 61.10 O ATOM 41 CB SER A 23 11.856 8.905 0.552 1.00 15.33 C ATOM 42 OG SER A 23 11.666 7.584 1.027 1.00 3.43 O ATOM 0 H SER A 23 13.693 10.596 1.398 1.00 14.52 H new ATOM 0 HA SER A 23 13.703 8.116 -0.209 1.00 24.41 H new ATOM 0 HB2 SER A 23 11.682 9.614 1.361 1.00 15.33 H new ATOM 0 HB3 SER A 23 11.125 9.123 -0.226 1.00 15.33 H new ATOM 0 HG SER A 23 10.756 7.490 1.377 1.00 3.43 H new ATOM 48 N GLY A 24 12.553 11.039 -1.263 1.00 24.14 N ATOM 49 CA GLY A 24 12.439 11.872 -2.445 1.00 51.04 C ATOM 50 C GLY A 24 11.957 13.273 -2.123 1.00 72.32 C ATOM 51 O GLY A 24 11.445 13.525 -1.031 1.00 12.03 O ATOM 0 H GLY A 24 12.093 11.410 -0.431 1.00 24.14 H new ATOM 0 HA2 GLY A 24 13.408 11.929 -2.940 1.00 51.04 H new ATOM 0 HA3 GLY A 24 11.749 11.406 -3.149 1.00 51.04 H new ATOM 55 N LEU A 25 12.119 14.187 -3.073 1.00 31.11 N ATOM 56 CA LEU A 25 11.698 15.571 -2.885 1.00 21.41 C ATOM 57 C LEU A 25 11.320 16.210 -4.216 1.00 34.34 C ATOM 58 O LEU A 25 11.546 17.401 -4.430 1.00 44.25 O ATOM 59 CB LEU A 25 12.812 16.378 -2.216 1.00 14.10 C ATOM 60 CG LEU A 25 14.132 16.461 -2.981 1.00 4.43 C ATOM 61 CD1 LEU A 25 14.824 17.788 -2.709 1.00 51.30 C ATOM 62 CD2 LEU A 25 15.040 15.298 -2.609 1.00 33.24 C ATOM 0 H LEU A 25 12.539 13.995 -3.982 1.00 31.11 H new ATOM 0 HA LEU A 25 10.820 15.573 -2.240 1.00 21.41 H new ATOM 0 HB2 LEU A 25 12.448 17.392 -2.048 1.00 14.10 H new ATOM 0 HB3 LEU A 25 13.010 15.944 -1.236 1.00 14.10 H new ATOM 0 HG LEU A 25 13.915 16.399 -4.047 1.00 4.43 H new ATOM 0 HD11 LEU A 25 15.762 17.829 -3.262 1.00 51.30 H new ATOM 0 HD12 LEU A 25 14.179 18.607 -3.027 1.00 51.30 H new ATOM 0 HD13 LEU A 25 15.027 17.880 -1.642 1.00 51.30 H new ATOM 0 HD21 LEU A 25 15.975 15.374 -3.164 1.00 33.24 H new ATOM 0 HD22 LEU A 25 15.249 15.327 -1.540 1.00 33.24 H new ATOM 0 HD23 LEU A 25 14.547 14.358 -2.857 1.00 33.24 H new ATOM 74 N ARG A 26 10.741 15.412 -5.108 1.00 43.30 N ATOM 75 CA ARG A 26 10.331 15.901 -6.418 1.00 70.54 C ATOM 76 C ARG A 26 8.977 15.321 -6.816 1.00 71.23 C ATOM 77 O ARG A 26 8.739 15.016 -7.985 1.00 53.32 O ATOM 78 CB ARG A 26 11.381 15.543 -7.472 1.00 60.41 C ATOM 79 CG ARG A 26 11.460 16.539 -8.617 1.00 35.33 C ATOM 80 CD ARG A 26 12.023 15.898 -9.875 1.00 33.14 C ATOM 81 NE ARG A 26 11.211 16.195 -11.053 1.00 43.10 N ATOM 82 CZ ARG A 26 11.502 15.765 -12.275 1.00 51.43 C ATOM 83 NH1 ARG A 26 12.581 15.022 -12.480 1.00 64.12 N ATOM 84 NH2 ARG A 26 10.714 16.079 -13.295 1.00 24.53 N ATOM 0 H ARG A 26 10.546 14.424 -4.947 1.00 43.30 H new ATOM 0 HA ARG A 26 10.239 16.986 -6.360 1.00 70.54 H new ATOM 0 HB2 ARG A 26 12.357 15.476 -6.992 1.00 60.41 H new ATOM 0 HB3 ARG A 26 11.156 14.556 -7.876 1.00 60.41 H new ATOM 0 HG2 ARG A 26 10.467 16.937 -8.824 1.00 35.33 H new ATOM 0 HG3 ARG A 26 12.087 17.382 -8.325 1.00 35.33 H new ATOM 0 HD2 ARG A 26 13.041 16.253 -10.038 1.00 33.14 H new ATOM 0 HD3 ARG A 26 12.080 14.818 -9.737 1.00 33.14 H new ATOM 0 HE ARG A 26 10.374 16.764 -10.930 1.00 43.10 H new ATOM 0 HH11 ARG A 26 13.189 14.780 -11.698 1.00 64.12 H new ATOM 0 HH12 ARG A 26 12.803 14.693 -13.420 1.00 64.12 H new ATOM 0 HH21 ARG A 26 9.884 16.651 -13.141 1.00 24.53 H new ATOM 0 HH22 ARG A 26 10.938 15.748 -14.233 1.00 24.53 H new ATOM 98 N THR A 27 8.093 15.170 -5.835 1.00 74.20 N ATOM 99 CA THR A 27 6.764 14.624 -6.081 1.00 3.15 C ATOM 100 C THR A 27 5.852 15.666 -6.720 1.00 11.44 C ATOM 101 O THR A 27 6.181 16.852 -6.762 1.00 13.24 O ATOM 102 CB THR A 27 6.114 14.120 -4.779 1.00 64.45 C ATOM 103 OG1 THR A 27 6.851 14.594 -3.648 1.00 75.14 O ATOM 104 CG2 THR A 27 6.060 12.600 -4.755 1.00 62.34 C ATOM 0 H THR A 27 8.273 15.418 -4.862 1.00 74.20 H new ATOM 0 HA THR A 27 6.889 13.784 -6.765 1.00 3.15 H new ATOM 0 HB THR A 27 5.095 14.505 -4.735 1.00 64.45 H new ATOM 0 HG1 THR A 27 6.430 14.270 -2.824 1.00 75.14 H new ATOM 0 HG21 THR A 27 5.597 12.267 -3.826 1.00 62.34 H new ATOM 0 HG22 THR A 27 5.473 12.243 -5.601 1.00 62.34 H new ATOM 0 HG23 THR A 27 7.071 12.199 -4.820 1.00 62.34 H new ATOM 112 N LEU A 28 4.706 15.215 -7.218 1.00 61.05 N ATOM 113 CA LEU A 28 3.745 16.109 -7.856 1.00 24.32 C ATOM 114 C LEU A 28 2.906 16.841 -6.813 1.00 71.42 C ATOM 115 O LEU A 28 3.122 16.687 -5.611 1.00 42.34 O ATOM 116 CB LEU A 28 2.834 15.321 -8.800 1.00 1.20 C ATOM 117 CG LEU A 28 3.526 14.301 -9.704 1.00 31.40 C ATOM 118 CD1 LEU A 28 3.278 12.887 -9.202 1.00 43.04 C ATOM 119 CD2 LEU A 28 3.047 14.450 -11.140 1.00 12.14 C ATOM 0 H LEU A 28 4.419 14.236 -7.193 1.00 61.05 H new ATOM 0 HA LEU A 28 4.301 16.849 -8.432 1.00 24.32 H new ATOM 0 HB2 LEU A 28 2.088 14.799 -8.201 1.00 1.20 H new ATOM 0 HB3 LEU A 28 2.297 16.030 -9.430 1.00 1.20 H new ATOM 0 HG LEU A 28 4.599 14.491 -9.678 1.00 31.40 H new ATOM 0 HD11 LEU A 28 3.778 12.175 -9.858 1.00 43.04 H new ATOM 0 HD12 LEU A 28 3.671 12.786 -8.190 1.00 43.04 H new ATOM 0 HD13 LEU A 28 2.207 12.685 -9.197 1.00 43.04 H new ATOM 0 HD21 LEU A 28 3.550 13.716 -11.769 1.00 12.14 H new ATOM 0 HD22 LEU A 28 1.970 14.288 -11.183 1.00 12.14 H new ATOM 0 HD23 LEU A 28 3.277 15.453 -11.498 1.00 12.14 H new ATOM 131 N GLU A 29 1.948 17.634 -7.282 1.00 71.21 N ATOM 132 CA GLU A 29 1.075 18.387 -6.389 1.00 54.42 C ATOM 133 C GLU A 29 -0.389 18.203 -6.776 1.00 50.35 C ATOM 134 O GLU A 29 -1.122 19.176 -6.948 1.00 23.30 O ATOM 135 CB GLU A 29 1.439 19.872 -6.417 1.00 64.24 C ATOM 136 CG GLU A 29 1.657 20.419 -7.819 1.00 53.41 C ATOM 137 CD GLU A 29 1.602 21.933 -7.869 1.00 22.11 C ATOM 138 OE1 GLU A 29 1.267 22.551 -6.837 1.00 0.41 O ATOM 139 OE2 GLU A 29 1.896 22.501 -8.942 1.00 22.55 O ATOM 0 H GLU A 29 1.757 17.772 -8.274 1.00 71.21 H new ATOM 0 HA GLU A 29 1.216 18.005 -5.378 1.00 54.42 H new ATOM 0 HB2 GLU A 29 0.645 20.441 -5.933 1.00 64.24 H new ATOM 0 HB3 GLU A 29 2.345 20.027 -5.831 1.00 64.24 H new ATOM 0 HG2 GLU A 29 2.625 20.082 -8.190 1.00 53.41 H new ATOM 0 HG3 GLU A 29 0.899 20.009 -8.487 1.00 53.41 H new ATOM 146 N GLN A 30 -0.806 16.948 -6.912 1.00 11.21 N ATOM 147 CA GLN A 30 -2.182 16.638 -7.281 1.00 53.41 C ATOM 148 C GLN A 30 -3.161 17.195 -6.251 1.00 1.24 C ATOM 149 O GLN A 30 -2.974 17.025 -5.047 1.00 70.32 O ATOM 150 CB GLN A 30 -2.368 15.125 -7.410 1.00 14.42 C ATOM 151 CG GLN A 30 -2.001 14.356 -6.151 1.00 43.14 C ATOM 152 CD GLN A 30 -1.876 12.865 -6.393 1.00 14.25 C ATOM 153 OE1 GLN A 30 -2.071 12.387 -7.512 1.00 75.34 O ATOM 154 NE2 GLN A 30 -1.547 12.120 -5.344 1.00 41.52 N ATOM 0 H GLN A 30 -0.212 16.131 -6.772 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.388 17.107 -8.243 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -3.407 14.916 -7.663 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.759 14.762 -8.238 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.058 14.737 -5.759 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -2.758 14.534 -5.388 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -1.395 12.558 -4.435 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -1.447 11.110 -5.447 1.00 41.52 H new ATOM 163 N SER A 31 -4.203 17.862 -6.736 1.00 15.30 N ATOM 164 CA SER A 31 -5.209 18.449 -5.857 1.00 20.14 C ATOM 165 C SER A 31 -6.216 17.396 -5.403 1.00 72.11 C ATOM 166 O SER A 31 -6.170 16.247 -5.843 1.00 2.02 O ATOM 167 CB SER A 31 -5.937 19.591 -6.572 1.00 15.13 C ATOM 168 OG SER A 31 -5.551 20.848 -6.045 1.00 35.43 O ATOM 0 H SER A 31 -4.373 18.010 -7.731 1.00 15.30 H new ATOM 0 HA SER A 31 -4.701 18.844 -4.977 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.716 19.557 -7.639 1.00 15.13 H new ATOM 0 HB3 SER A 31 -7.014 19.463 -6.466 1.00 15.13 H new ATOM 0 HG SER A 31 -6.028 21.562 -6.518 1.00 35.43 H new ATOM 174 N VAL A 32 -7.123 17.796 -4.519 1.00 21.10 N ATOM 175 CA VAL A 32 -8.141 16.888 -4.005 1.00 5.34 C ATOM 176 C VAL A 32 -8.945 16.263 -5.140 1.00 4.34 C ATOM 177 O VAL A 32 -9.079 15.044 -5.220 1.00 0.24 O ATOM 178 CB VAL A 32 -9.107 17.612 -3.046 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.220 16.677 -2.603 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.351 18.162 -1.846 1.00 3.55 C ATOM 0 H VAL A 32 -7.174 18.743 -4.144 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.617 16.103 -3.459 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.560 18.449 -3.577 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -10.892 17.206 -1.927 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.778 16.336 -3.475 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.790 15.817 -2.089 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.047 18.670 -1.179 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -7.870 17.342 -1.312 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.593 18.868 -2.186 1.00 3.55 H new ATOM 190 N GLY A 33 -9.476 17.110 -6.018 1.00 71.41 N ATOM 191 CA GLY A 33 -10.260 16.621 -7.137 1.00 1.03 C ATOM 192 C GLY A 33 -9.508 15.602 -7.970 1.00 4.54 C ATOM 193 O GLY A 33 -9.902 14.438 -8.042 1.00 23.33 O ATOM 0 H GLY A 33 -9.377 18.124 -5.974 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.180 16.172 -6.763 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.549 17.461 -7.769 1.00 1.03 H new ATOM 197 N GLU A 34 -8.424 16.040 -8.602 1.00 14.20 N ATOM 198 CA GLU A 34 -7.617 15.157 -9.436 1.00 2.12 C ATOM 199 C GLU A 34 -7.233 13.891 -8.676 1.00 53.45 C ATOM 200 O GLU A 34 -7.389 12.779 -9.179 1.00 72.43 O ATOM 201 CB GLU A 34 -6.356 15.880 -9.914 1.00 30.02 C ATOM 202 CG GLU A 34 -5.357 14.969 -10.607 1.00 30.44 C ATOM 203 CD GLU A 34 -5.931 14.309 -11.846 1.00 41.34 C ATOM 204 OE1 GLU A 34 -6.780 14.937 -12.512 1.00 13.54 O ATOM 205 OE2 GLU A 34 -5.530 13.165 -12.149 1.00 3.31 O ATOM 0 H GLU A 34 -8.084 17.001 -8.553 1.00 14.20 H new ATOM 0 HA GLU A 34 -8.214 14.873 -10.302 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.643 16.678 -10.599 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.872 16.352 -9.059 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.475 15.547 -10.883 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -5.028 14.199 -9.909 1.00 30.44 H new ATOM 212 N TRP A 35 -6.728 14.069 -7.460 1.00 34.44 N ATOM 213 CA TRP A 35 -6.321 12.943 -6.628 1.00 74.51 C ATOM 214 C TRP A 35 -7.438 11.910 -6.525 1.00 42.13 C ATOM 215 O TRP A 35 -7.242 10.735 -6.839 1.00 42.12 O ATOM 216 CB TRP A 35 -5.928 13.427 -5.233 1.00 72.25 C ATOM 217 CG TRP A 35 -5.662 12.312 -4.269 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.051 11.120 -4.541 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.000 12.281 -2.877 1.00 43.01 C ATOM 220 NE1 TRP A 35 -4.989 10.353 -3.404 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.563 11.042 -2.369 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.627 13.181 -2.012 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.736 10.681 -1.035 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.799 12.821 -0.688 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.354 11.581 -0.210 1.00 53.30 C ATOM 0 H TRP A 35 -6.591 14.983 -7.029 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.457 12.472 -7.097 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -5.037 14.050 -5.310 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.725 14.057 -4.837 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.672 10.825 -5.508 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.581 9.420 -3.340 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -6.971 14.140 -2.371 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.395 9.725 -0.665 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.285 13.507 -0.010 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.502 11.331 0.830 1.00 53.30 H new ATOM 236 N LEU A 36 -8.609 12.354 -6.084 1.00 32.21 N ATOM 237 CA LEU A 36 -9.759 11.468 -5.941 1.00 63.31 C ATOM 238 C LEU A 36 -10.217 10.945 -7.298 1.00 40.04 C ATOM 239 O LEU A 36 -10.763 9.848 -7.398 1.00 0.32 O ATOM 240 CB LEU A 36 -10.910 12.201 -5.249 1.00 64.11 C ATOM 241 CG LEU A 36 -10.609 12.764 -3.860 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.544 13.918 -3.537 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.723 11.672 -2.805 1.00 61.13 C ATOM 0 H LEU A 36 -8.788 13.323 -5.819 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.457 10.618 -5.329 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.229 13.022 -5.891 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.753 11.515 -5.166 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.586 13.140 -3.856 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.314 14.305 -2.544 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.413 14.710 -4.275 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.576 13.568 -3.560 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.505 12.091 -1.823 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.734 11.265 -2.810 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.011 10.877 -3.026 1.00 61.13 H new ATOM 255 N GLU A 37 -9.988 11.738 -8.340 1.00 14.23 N ATOM 256 CA GLU A 37 -10.376 11.354 -9.692 1.00 44.15 C ATOM 257 C GLU A 37 -9.552 10.165 -10.178 1.00 3.12 C ATOM 258 O GLU A 37 -10.015 9.367 -10.993 1.00 3.23 O ATOM 259 CB GLU A 37 -10.204 12.534 -10.651 1.00 0.32 C ATOM 260 CG GLU A 37 -11.514 13.053 -11.219 1.00 25.55 C ATOM 261 CD GLU A 37 -11.607 12.882 -12.723 1.00 54.15 C ATOM 262 OE1 GLU A 37 -11.413 11.746 -13.204 1.00 72.55 O ATOM 263 OE2 GLU A 37 -11.873 13.884 -13.419 1.00 22.41 O ATOM 0 H GLU A 37 -9.536 12.650 -8.274 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.426 11.062 -9.672 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.698 13.345 -10.128 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.556 12.231 -11.473 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.344 12.528 -10.746 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.621 14.109 -10.970 1.00 25.55 H new ATOM 270 N SER A 38 -8.329 10.054 -9.670 1.00 41.52 N ATOM 271 CA SER A 38 -7.438 8.965 -10.055 1.00 43.50 C ATOM 272 C SER A 38 -7.910 7.641 -9.461 1.00 44.21 C ATOM 273 O SER A 38 -7.589 6.570 -9.974 1.00 32.52 O ATOM 274 CB SER A 38 -6.009 9.262 -9.597 1.00 63.23 C ATOM 275 OG SER A 38 -5.679 8.516 -8.438 1.00 32.02 O ATOM 0 H SER A 38 -7.932 10.704 -8.991 1.00 41.52 H new ATOM 0 HA SER A 38 -7.454 8.882 -11.142 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.310 9.023 -10.398 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.904 10.327 -9.390 1.00 63.23 H new ATOM 0 HG SER A 38 -6.046 8.962 -7.646 1.00 32.02 H new ATOM 281 N ILE A 39 -8.673 7.726 -8.376 1.00 24.35 N ATOM 282 CA ILE A 39 -9.189 6.536 -7.712 1.00 60.42 C ATOM 283 C ILE A 39 -10.667 6.327 -8.031 1.00 1.15 C ATOM 284 O ILE A 39 -11.195 5.227 -7.875 1.00 3.33 O ATOM 285 CB ILE A 39 -9.013 6.621 -6.185 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.831 7.782 -5.619 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.541 6.780 -5.830 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.873 7.812 -4.107 1.00 5.35 C ATOM 0 H ILE A 39 -8.947 8.606 -7.939 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.614 5.690 -8.089 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.377 5.695 -5.740 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.413 8.721 -5.981 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.850 7.718 -6.001 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.432 6.839 -4.747 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.982 5.923 -6.205 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -7.154 7.692 -6.284 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.470 8.662 -3.776 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.319 6.889 -3.737 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.860 7.907 -3.717 1.00 5.35 H new ATOM 300 N GLY A 40 -11.326 7.390 -8.479 1.00 71.22 N ATOM 301 CA GLY A 40 -12.735 7.303 -8.814 1.00 52.30 C ATOM 302 C GLY A 40 -13.631 7.729 -7.669 1.00 71.13 C ATOM 303 O GLY A 40 -14.793 7.324 -7.594 1.00 33.14 O ATOM 0 H GLY A 40 -10.909 8.311 -8.616 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.938 7.930 -9.682 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.975 6.278 -9.097 1.00 52.30 H new ATOM 307 N LEU A 41 -13.092 8.547 -6.771 1.00 43.40 N ATOM 308 CA LEU A 41 -13.851 9.028 -5.622 1.00 52.32 C ATOM 309 C LEU A 41 -14.018 10.543 -5.675 1.00 52.54 C ATOM 310 O LEU A 41 -14.428 11.166 -4.696 1.00 74.32 O ATOM 311 CB LEU A 41 -13.153 8.625 -4.320 1.00 71.33 C ATOM 312 CG LEU A 41 -14.067 8.350 -3.126 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.259 6.852 -2.937 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.500 8.980 -1.863 1.00 14.14 C ATOM 0 H LEU A 41 -12.133 8.891 -6.817 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.840 8.571 -5.654 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.559 7.731 -4.511 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.457 9.417 -4.044 1.00 71.33 H new ATOM 0 HG LEU A 41 -15.040 8.799 -3.326 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -14.912 6.674 -2.083 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -14.710 6.427 -3.834 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -13.292 6.381 -2.759 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -14.164 8.774 -1.024 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.515 8.561 -1.658 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -13.414 10.058 -2.001 1.00 14.14 H new ATOM 326 N GLN A 42 -13.701 11.128 -6.825 1.00 45.22 N ATOM 327 CA GLN A 42 -13.818 12.571 -7.006 1.00 5.41 C ATOM 328 C GLN A 42 -15.229 13.047 -6.680 1.00 10.21 C ATOM 329 O GLN A 42 -15.437 14.212 -6.341 1.00 21.41 O ATOM 330 CB GLN A 42 -13.454 12.958 -8.440 1.00 41.24 C ATOM 331 CG GLN A 42 -12.980 14.395 -8.581 1.00 13.20 C ATOM 332 CD GLN A 42 -13.886 15.223 -9.470 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.153 14.859 -10.615 1.00 55.42 O ATOM 334 NE2 GLN A 42 -14.364 16.346 -8.946 1.00 33.04 N ATOM 0 H GLN A 42 -13.361 10.626 -7.645 1.00 45.22 H new ATOM 0 HA GLN A 42 -13.123 13.056 -6.320 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.672 12.289 -8.801 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.323 12.807 -9.080 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.927 14.855 -7.594 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.970 14.402 -8.991 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -14.117 16.609 -7.992 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -14.978 16.945 -9.497 1.00 33.04 H new ATOM 343 N GLN A 43 -16.194 12.139 -6.785 1.00 23.01 N ATOM 344 CA GLN A 43 -17.586 12.468 -6.502 1.00 42.31 C ATOM 345 C GLN A 43 -17.769 12.845 -5.036 1.00 31.15 C ATOM 346 O GLN A 43 -18.592 13.698 -4.702 1.00 2.15 O ATOM 347 CB GLN A 43 -18.493 11.289 -6.855 1.00 30.54 C ATOM 348 CG GLN A 43 -18.210 10.038 -6.038 1.00 13.14 C ATOM 349 CD GLN A 43 -18.095 8.793 -6.896 1.00 4.30 C ATOM 350 OE1 GLN A 43 -18.772 8.665 -7.917 1.00 75.43 O ATOM 351 NE2 GLN A 43 -17.234 7.869 -6.487 1.00 32.55 N ATOM 0 H GLN A 43 -16.038 11.170 -7.064 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.862 13.325 -7.116 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.532 11.583 -6.706 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.377 11.056 -7.913 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.285 10.176 -5.479 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -19.006 9.898 -5.307 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -16.694 8.017 -5.635 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -17.113 7.011 -7.025 1.00 32.55 H new ATOM 360 N TYR A 44 -16.998 12.204 -4.165 1.00 53.33 N ATOM 361 CA TYR A 44 -17.077 12.470 -2.733 1.00 21.31 C ATOM 362 C TYR A 44 -16.159 13.623 -2.342 1.00 21.55 C ATOM 363 O TYR A 44 -15.987 13.920 -1.159 1.00 1.25 O ATOM 364 CB TYR A 44 -16.708 11.216 -1.939 1.00 62.50 C ATOM 365 CG TYR A 44 -17.860 10.638 -1.150 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.670 11.451 -0.367 1.00 74.53 C ATOM 367 CD2 TYR A 44 -18.140 9.277 -1.185 1.00 40.54 C ATOM 368 CE1 TYR A 44 -19.724 10.928 0.357 1.00 74.14 C ATOM 369 CE2 TYR A 44 -19.191 8.744 -0.466 1.00 14.14 C ATOM 370 CZ TYR A 44 -19.980 9.573 0.304 1.00 22.33 C ATOM 371 OH TYR A 44 -21.029 9.047 1.022 1.00 21.24 O ATOM 0 H TYR A 44 -16.311 11.496 -4.425 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.103 12.751 -2.497 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.333 10.458 -2.627 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.894 11.456 -1.255 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.472 12.512 -0.323 1.00 74.53 H new ATOM 0 HD2 TYR A 44 -17.524 8.624 -1.786 1.00 40.54 H new ATOM 0 HE1 TYR A 44 -20.343 11.575 0.960 1.00 74.14 H new ATOM 0 HE2 TYR A 44 -19.394 7.684 -0.506 1.00 14.14 H new ATOM 0 HH TYR A 44 -20.794 8.148 1.333 1.00 21.24 H new ATOM 381 N GLU A 45 -15.572 14.270 -3.344 1.00 23.43 N ATOM 382 CA GLU A 45 -14.671 15.391 -3.104 1.00 45.35 C ATOM 383 C GLU A 45 -15.342 16.455 -2.240 1.00 61.44 C ATOM 384 O GLU A 45 -14.730 17.003 -1.323 1.00 44.32 O ATOM 385 CB GLU A 45 -14.222 16.006 -4.432 1.00 32.34 C ATOM 386 CG GLU A 45 -13.453 17.307 -4.271 1.00 42.53 C ATOM 387 CD GLU A 45 -12.784 17.751 -5.557 1.00 53.30 C ATOM 388 OE1 GLU A 45 -13.207 17.289 -6.637 1.00 31.32 O ATOM 389 OE2 GLU A 45 -11.839 18.564 -5.482 1.00 53.20 O ATOM 0 H GLU A 45 -15.704 14.037 -4.328 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.798 15.014 -2.572 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.597 15.288 -4.963 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -15.099 16.186 -5.054 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -14.134 18.088 -3.931 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.697 17.184 -3.496 1.00 42.53 H new ATOM 396 N SER A 46 -16.605 16.741 -2.539 1.00 74.45 N ATOM 397 CA SER A 46 -17.360 17.742 -1.793 1.00 53.41 C ATOM 398 C SER A 46 -17.259 17.490 -0.292 1.00 2.32 C ATOM 399 O SER A 46 -16.841 18.362 0.470 1.00 40.42 O ATOM 400 CB SER A 46 -18.827 17.732 -2.227 1.00 21.35 C ATOM 401 OG SER A 46 -18.991 18.358 -3.487 1.00 71.21 O ATOM 0 H SER A 46 -17.127 16.294 -3.292 1.00 74.45 H new ATOM 0 HA SER A 46 -16.932 18.721 -2.009 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.187 16.704 -2.279 1.00 21.35 H new ATOM 0 HB3 SER A 46 -19.434 18.245 -1.481 1.00 21.35 H new ATOM 0 HG SER A 46 -19.937 18.337 -3.742 1.00 71.21 H new ATOM 407 N LYS A 47 -17.645 16.290 0.128 1.00 52.31 N ATOM 408 CA LYS A 47 -17.598 15.919 1.537 1.00 32.00 C ATOM 409 C LYS A 47 -16.189 16.087 2.097 1.00 25.31 C ATOM 410 O LYS A 47 -16.009 16.529 3.233 1.00 3.24 O ATOM 411 CB LYS A 47 -18.062 14.473 1.722 1.00 45.22 C ATOM 412 CG LYS A 47 -19.573 14.324 1.788 1.00 41.21 C ATOM 413 CD LYS A 47 -20.152 15.046 2.994 1.00 40.34 C ATOM 414 CE LYS A 47 -21.576 14.596 3.282 1.00 24.10 C ATOM 415 NZ LYS A 47 -22.557 15.237 2.363 1.00 44.25 N ATOM 0 H LYS A 47 -17.994 15.557 -0.489 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.269 16.582 2.083 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.681 13.870 0.898 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.625 14.074 2.638 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -20.019 14.721 0.876 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.834 13.267 1.836 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -19.526 14.858 3.867 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -20.138 16.121 2.817 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -21.641 13.512 3.184 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -21.832 14.839 4.313 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -23.516 14.904 2.592 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -22.513 16.270 2.474 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -22.328 14.985 1.380 1.00 44.25 H new ATOM 429 N LEU A 48 -15.192 15.735 1.293 1.00 0.24 N ATOM 430 CA LEU A 48 -13.798 15.848 1.708 1.00 61.20 C ATOM 431 C LEU A 48 -13.330 17.299 1.657 1.00 42.21 C ATOM 432 O LEU A 48 -12.216 17.618 2.071 1.00 23.30 O ATOM 433 CB LEU A 48 -12.908 14.982 0.815 1.00 13.43 C ATOM 434 CG LEU A 48 -11.728 14.296 1.506 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.481 12.923 0.901 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.477 15.159 1.406 1.00 4.51 C ATOM 0 H LEU A 48 -15.323 15.369 0.350 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.722 15.497 2.737 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.529 14.214 0.353 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.519 15.605 0.010 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.973 14.167 2.560 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.638 12.450 1.405 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -12.371 12.306 1.024 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -11.257 13.028 -0.160 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.647 14.656 1.903 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.228 15.319 0.357 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.659 16.120 1.887 1.00 4.51 H new ATOM 448 N LEU A 49 -14.191 18.175 1.149 1.00 1.22 N ATOM 449 CA LEU A 49 -13.867 19.593 1.046 1.00 22.31 C ATOM 450 C LEU A 49 -14.613 20.400 2.105 1.00 21.04 C ATOM 451 O LEU A 49 -14.086 21.374 2.644 1.00 33.35 O ATOM 452 CB LEU A 49 -14.215 20.116 -0.349 1.00 14.24 C ATOM 453 CG LEU A 49 -14.166 21.634 -0.529 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.837 22.186 -0.036 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.392 22.006 -1.986 1.00 64.13 C ATOM 0 H LEU A 49 -15.118 17.928 0.802 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.796 19.709 1.214 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.530 19.663 -1.066 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.217 19.772 -0.604 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.964 22.078 0.066 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.819 23.267 -0.172 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.715 21.951 1.021 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.023 21.736 -0.604 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.354 23.090 -2.095 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.616 21.552 -2.602 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.369 21.643 -2.307 1.00 64.13 H new ATOM 467 N LEU A 50 -15.841 19.987 2.399 1.00 22.22 N ATOM 468 CA LEU A 50 -16.659 20.670 3.396 1.00 12.15 C ATOM 469 C LEU A 50 -16.261 20.250 4.806 1.00 64.21 C ATOM 470 O LEU A 50 -16.591 20.925 5.781 1.00 41.21 O ATOM 471 CB LEU A 50 -18.141 20.368 3.160 1.00 52.32 C ATOM 472 CG LEU A 50 -19.027 21.573 2.840 1.00 62.43 C ATOM 473 CD1 LEU A 50 -20.488 21.155 2.766 1.00 30.14 C ATOM 474 CD2 LEU A 50 -18.835 22.668 3.877 1.00 52.43 C ATOM 0 H LEU A 50 -16.292 19.183 1.962 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.492 21.742 3.296 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.220 19.655 2.339 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.537 19.876 4.048 1.00 52.32 H new ATOM 0 HG LEU A 50 -18.733 21.968 1.868 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.104 22.025 2.538 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.613 20.406 1.984 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -20.795 20.734 3.724 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -19.474 23.517 3.632 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.101 22.286 4.863 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -17.793 22.987 3.880 1.00 52.43 H new ATOM 486 N ASN A 51 -15.548 19.133 4.907 1.00 73.41 N ATOM 487 CA ASN A 51 -15.102 18.625 6.201 1.00 22.20 C ATOM 488 C ASN A 51 -13.686 19.097 6.511 1.00 10.20 C ATOM 489 O ASN A 51 -12.988 18.502 7.333 1.00 2.33 O ATOM 490 CB ASN A 51 -15.158 17.096 6.216 1.00 60.44 C ATOM 491 CG ASN A 51 -16.535 16.572 6.576 1.00 52.20 C ATOM 492 OD1 ASN A 51 -17.039 16.820 7.672 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.149 15.842 5.654 1.00 53.10 N ATOM 0 H ASN A 51 -15.267 18.562 4.110 1.00 73.41 H new ATOM 0 HA ASN A 51 -15.771 19.015 6.968 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -14.872 16.715 5.236 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.429 16.715 6.931 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.077 15.461 5.840 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -16.693 15.662 4.759 1.00 53.10 H new ATOM 500 N GLY A 52 -13.266 20.171 5.850 1.00 21.34 N ATOM 501 CA GLY A 52 -11.935 20.705 6.069 1.00 23.12 C ATOM 502 C GLY A 52 -10.860 19.641 5.974 1.00 64.40 C ATOM 503 O GLY A 52 -9.921 19.623 6.770 1.00 20.35 O ATOM 0 H GLY A 52 -13.825 20.681 5.166 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -11.735 21.486 5.335 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -11.892 21.173 7.052 1.00 23.12 H new ATOM 507 N PHE A 53 -10.997 18.751 4.996 1.00 4.22 N ATOM 508 CA PHE A 53 -10.031 17.676 4.800 1.00 32.51 C ATOM 509 C PHE A 53 -9.389 17.767 3.419 1.00 13.43 C ATOM 510 O PHE A 53 -8.681 16.855 2.990 1.00 72.43 O ATOM 511 CB PHE A 53 -10.708 16.315 4.972 1.00 31.13 C ATOM 512 CG PHE A 53 -9.935 15.366 5.841 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.564 15.225 5.688 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.577 14.614 6.812 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.849 14.353 6.487 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.867 13.740 7.614 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.502 13.609 7.450 1.00 3.33 C ATOM 0 H PHE A 53 -11.767 18.753 4.327 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.249 17.782 5.552 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.699 16.463 5.401 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.850 15.862 3.991 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.049 15.804 4.935 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.644 14.712 6.944 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.781 14.254 6.359 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.379 13.160 8.368 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.946 12.925 8.074 1.00 3.33 H new ATOM 527 N ASP A 54 -9.644 18.872 2.727 1.00 43.25 N ATOM 528 CA ASP A 54 -9.091 19.084 1.393 1.00 25.30 C ATOM 529 C ASP A 54 -7.577 19.257 1.455 1.00 32.24 C ATOM 530 O ASP A 54 -6.886 19.129 0.444 1.00 35.14 O ATOM 531 CB ASP A 54 -9.731 20.310 0.741 1.00 54.31 C ATOM 532 CG ASP A 54 -9.075 21.605 1.174 1.00 72.24 C ATOM 533 OD1 ASP A 54 -8.933 21.818 2.396 1.00 75.13 O ATOM 534 OD2 ASP A 54 -8.704 22.407 0.291 1.00 65.04 O ATOM 0 H ASP A 54 -10.230 19.635 3.067 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.314 18.204 0.789 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.665 20.217 -0.343 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.791 20.341 0.994 1.00 54.31 H new ATOM 539 N ASP A 55 -7.067 19.552 2.646 1.00 74.21 N ATOM 540 CA ASP A 55 -5.635 19.743 2.838 1.00 64.43 C ATOM 541 C ASP A 55 -4.861 18.485 2.454 1.00 73.45 C ATOM 542 O ASP A 55 -4.732 17.555 3.250 1.00 55.34 O ATOM 543 CB ASP A 55 -5.339 20.114 4.293 1.00 14.55 C ATOM 544 CG ASP A 55 -5.890 21.476 4.666 1.00 65.11 C ATOM 545 OD1 ASP A 55 -7.106 21.570 4.934 1.00 43.45 O ATOM 546 OD2 ASP A 55 -5.106 22.447 4.688 1.00 74.22 O ATOM 0 H ASP A 55 -7.625 19.664 3.493 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.313 20.558 2.190 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -5.768 19.359 4.952 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.261 20.104 4.455 1.00 14.55 H new ATOM 551 N VAL A 56 -4.349 18.464 1.227 1.00 2.04 N ATOM 552 CA VAL A 56 -3.588 17.321 0.737 1.00 33.13 C ATOM 553 C VAL A 56 -2.332 17.097 1.571 1.00 42.44 C ATOM 554 O VAL A 56 -1.755 16.009 1.566 1.00 53.32 O ATOM 555 CB VAL A 56 -3.186 17.505 -0.738 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.405 16.298 -1.234 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.415 17.746 -1.600 1.00 54.40 C ATOM 0 H VAL A 56 -4.447 19.225 0.555 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.237 16.449 0.823 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.541 18.381 -0.813 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -2.130 16.447 -2.278 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.503 16.177 -0.635 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -3.022 15.404 -1.145 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -4.111 17.874 -2.639 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -5.088 16.892 -1.521 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.928 18.645 -1.259 1.00 54.40 H new ATOM 567 N HIS A 57 -1.913 18.135 2.289 1.00 51.41 N ATOM 568 CA HIS A 57 -0.724 18.052 3.131 1.00 40.15 C ATOM 569 C HIS A 57 -1.094 17.647 4.555 1.00 32.12 C ATOM 570 O HIS A 57 -0.301 17.807 5.482 1.00 2.24 O ATOM 571 CB HIS A 57 0.011 19.392 3.144 1.00 5.31 C ATOM 572 CG HIS A 57 0.934 19.581 1.979 1.00 63.24 C ATOM 573 ND1 HIS A 57 0.705 19.020 0.740 1.00 24.20 N ATOM 574 CD2 HIS A 57 2.090 20.275 1.869 1.00 24.11 C ATOM 575 CE1 HIS A 57 1.682 19.360 -0.081 1.00 23.40 C ATOM 576 NE2 HIS A 57 2.536 20.121 0.579 1.00 2.32 N ATOM 0 H HIS A 57 -2.379 19.042 2.305 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.066 17.289 2.715 1.00 40.15 H new ATOM 0 HB2 HIS A 57 -0.722 20.199 3.151 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.584 19.474 4.068 1.00 5.31 H new ATOM 0 HD2 HIS A 57 2.572 20.844 2.650 1.00 24.11 H new ATOM 0 HE1 HIS A 57 1.768 19.066 -1.117 1.00 23.40 H new ATOM 0 HE2 HIS A 57 3.388 20.528 0.194 1.00 2.32 H new ATOM 584 N PHE A 58 -2.303 17.123 4.720 1.00 2.54 N ATOM 585 CA PHE A 58 -2.779 16.697 6.031 1.00 32.34 C ATOM 586 C PHE A 58 -3.027 15.192 6.057 1.00 21.42 C ATOM 587 O PHE A 58 -3.109 14.583 7.124 1.00 1.22 O ATOM 588 CB PHE A 58 -4.064 17.442 6.398 1.00 44.13 C ATOM 589 CG PHE A 58 -3.944 18.264 7.650 1.00 63.33 C ATOM 590 CD1 PHE A 58 -4.099 17.679 8.895 1.00 41.43 C ATOM 591 CD2 PHE A 58 -3.675 19.621 7.580 1.00 34.41 C ATOM 592 CE1 PHE A 58 -3.990 18.434 10.049 1.00 24.23 C ATOM 593 CE2 PHE A 58 -3.563 20.380 8.729 1.00 33.51 C ATOM 594 CZ PHE A 58 -3.720 19.785 9.965 1.00 25.44 C ATOM 0 H PHE A 58 -2.972 16.983 3.963 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.008 16.934 6.764 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.346 18.094 5.571 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -4.870 16.719 6.523 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -4.307 16.622 8.966 1.00 41.43 H new ATOM 0 HD2 PHE A 58 -3.551 20.091 6.616 1.00 34.41 H new ATOM 0 HE1 PHE A 58 -4.116 17.967 11.015 1.00 24.23 H new ATOM 0 HE2 PHE A 58 -3.353 21.437 8.660 1.00 33.51 H new ATOM 0 HZ PHE A 58 -3.632 20.376 10.865 1.00 25.44 H new ATOM 604 N LEU A 59 -3.143 14.597 4.875 1.00 73.52 N ATOM 605 CA LEU A 59 -3.382 13.162 4.761 1.00 21.03 C ATOM 606 C LEU A 59 -2.302 12.371 5.492 1.00 4.40 C ATOM 607 O LEU A 59 -2.533 11.244 5.930 1.00 70.34 O ATOM 608 CB LEU A 59 -3.425 12.748 3.288 1.00 12.42 C ATOM 609 CG LEU A 59 -4.373 13.547 2.393 1.00 71.50 C ATOM 610 CD1 LEU A 59 -3.981 13.397 0.932 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.812 13.103 2.611 1.00 33.44 C ATOM 0 H LEU A 59 -3.076 15.086 3.982 1.00 73.52 H new ATOM 0 HA LEU A 59 -4.344 12.940 5.223 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.418 12.828 2.879 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -3.707 11.697 3.235 1.00 12.42 H new ATOM 0 HG LEU A 59 -4.295 14.601 2.661 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -4.667 13.972 0.310 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -2.965 13.765 0.788 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.029 12.346 0.648 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.473 13.682 1.966 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -5.906 12.044 2.370 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -6.089 13.264 3.653 1.00 33.44 H new ATOM 623 N GLY A 60 -1.122 12.969 5.622 1.00 54.22 N ATOM 624 CA GLY A 60 -0.024 12.307 6.302 1.00 72.21 C ATOM 625 C GLY A 60 0.104 12.738 7.750 1.00 1.35 C ATOM 626 O GLY A 60 1.145 12.536 8.374 1.00 11.54 O ATOM 0 H GLY A 60 -0.907 13.901 5.268 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -0.171 11.228 6.259 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.907 12.523 5.778 1.00 72.21 H new ATOM 630 N SER A 61 -0.955 13.337 8.285 1.00 4.14 N ATOM 631 CA SER A 61 -0.954 13.803 9.666 1.00 1.23 C ATOM 632 C SER A 61 -2.262 13.442 10.363 1.00 33.14 C ATOM 633 O SER A 61 -2.261 12.831 11.431 1.00 43.52 O ATOM 634 CB SER A 61 -0.739 15.317 9.715 1.00 13.14 C ATOM 635 OG SER A 61 -0.205 15.717 10.966 1.00 63.22 O ATOM 0 H SER A 61 -1.825 13.511 7.782 1.00 4.14 H new ATOM 0 HA SER A 61 -0.135 13.309 10.189 1.00 1.23 H new ATOM 0 HB2 SER A 61 -0.063 15.617 8.915 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.686 15.828 9.540 1.00 13.14 H new ATOM 0 HG SER A 61 -0.075 16.688 10.971 1.00 63.22 H new ATOM 641 N ASN A 62 -3.377 13.823 9.750 1.00 31.22 N ATOM 642 CA ASN A 62 -4.694 13.541 10.310 1.00 31.45 C ATOM 643 C ASN A 62 -4.834 12.060 10.648 1.00 73.55 C ATOM 644 O ASN A 62 -4.023 11.235 10.224 1.00 54.32 O ATOM 645 CB ASN A 62 -5.790 13.957 9.328 1.00 13.43 C ATOM 646 CG ASN A 62 -7.029 14.477 10.030 1.00 23.14 C ATOM 647 OD1 ASN A 62 -7.617 13.789 10.866 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.432 15.697 9.694 1.00 20.24 N ATOM 0 H ASN A 62 -3.395 14.328 8.864 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.802 14.118 11.228 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.403 14.728 8.661 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -6.060 13.104 8.706 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.259 16.100 10.134 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -6.914 16.231 8.996 1.00 20.24 H new ATOM 655 N VAL A 63 -5.868 11.728 11.415 1.00 25.41 N ATOM 656 CA VAL A 63 -6.116 10.346 11.809 1.00 4.52 C ATOM 657 C VAL A 63 -6.490 9.490 10.603 1.00 61.11 C ATOM 658 O VAL A 63 -6.002 8.371 10.449 1.00 32.03 O ATOM 659 CB VAL A 63 -7.240 10.255 12.858 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.509 10.915 12.341 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.499 8.805 13.236 1.00 12.02 C ATOM 0 H VAL A 63 -6.548 12.398 11.776 1.00 25.41 H new ATOM 0 HA VAL A 63 -5.191 9.970 12.245 1.00 4.52 H new ATOM 0 HB VAL A 63 -6.921 10.789 13.753 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -9.291 10.840 13.096 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -8.311 11.965 12.126 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.835 10.413 11.430 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.296 8.759 13.978 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.796 8.245 12.349 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -6.590 8.370 13.652 1.00 12.02 H new ATOM 671 N MET A 64 -7.360 10.025 9.752 1.00 61.20 N ATOM 672 CA MET A 64 -7.799 9.309 8.559 1.00 3.10 C ATOM 673 C MET A 64 -8.185 7.872 8.897 1.00 70.24 C ATOM 674 O MET A 64 -7.671 6.926 8.302 1.00 33.41 O ATOM 675 CB MET A 64 -6.696 9.318 7.499 1.00 12.44 C ATOM 676 CG MET A 64 -6.683 10.576 6.646 1.00 21.14 C ATOM 677 SD MET A 64 -7.191 10.266 4.944 1.00 63.40 S ATOM 678 CE MET A 64 -8.953 10.024 5.156 1.00 12.42 C ATOM 0 H MET A 64 -7.774 10.950 9.866 1.00 61.20 H new ATOM 0 HA MET A 64 -8.678 9.818 8.163 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.729 9.213 7.991 1.00 12.44 H new ATOM 0 HB3 MET A 64 -6.819 8.451 6.851 1.00 12.44 H new ATOM 0 HG2 MET A 64 -7.347 11.318 7.090 1.00 21.14 H new ATOM 0 HG3 MET A 64 -5.680 11.003 6.650 1.00 21.14 H new ATOM 0 HE1 MET A 64 -9.346 9.456 4.313 1.00 12.42 H new ATOM 0 HE2 MET A 64 -9.136 9.476 6.080 1.00 12.42 H new ATOM 0 HE3 MET A 64 -9.450 10.993 5.204 1.00 12.42 H new ATOM 688 N GLU A 65 -9.091 7.718 9.858 1.00 11.45 N ATOM 689 CA GLU A 65 -9.544 6.396 10.274 1.00 22.43 C ATOM 690 C GLU A 65 -10.862 6.033 9.597 1.00 24.51 C ATOM 691 O GLU A 65 -11.359 6.773 8.748 1.00 55.23 O ATOM 692 CB GLU A 65 -9.706 6.345 11.795 1.00 74.14 C ATOM 693 CG GLU A 65 -8.775 5.354 12.474 1.00 45.31 C ATOM 694 CD GLU A 65 -9.171 5.072 13.911 1.00 75.44 C ATOM 695 OE1 GLU A 65 -8.981 5.963 14.765 1.00 62.30 O ATOM 696 OE2 GLU A 65 -9.670 3.959 14.180 1.00 64.44 O ATOM 0 H GLU A 65 -9.525 8.491 10.362 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.790 5.669 9.971 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.526 7.339 12.205 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.737 6.084 12.033 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -8.772 4.420 11.912 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -7.757 5.743 12.451 1.00 45.31 H new ATOM 703 N GLU A 66 -11.422 4.890 9.980 1.00 13.11 N ATOM 704 CA GLU A 66 -12.682 4.429 9.409 1.00 23.52 C ATOM 705 C GLU A 66 -13.815 5.396 9.739 1.00 74.04 C ATOM 706 O GLU A 66 -14.641 5.715 8.883 1.00 23.44 O ATOM 707 CB GLU A 66 -13.023 3.030 9.931 1.00 2.44 C ATOM 708 CG GLU A 66 -14.450 2.601 9.636 1.00 3.43 C ATOM 709 CD GLU A 66 -14.571 1.111 9.385 1.00 41.24 C ATOM 710 OE1 GLU A 66 -13.735 0.351 9.917 1.00 43.30 O ATOM 711 OE2 GLU A 66 -15.501 0.705 8.657 1.00 4.50 O ATOM 0 H GLU A 66 -11.024 4.267 10.682 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.567 4.387 8.326 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -12.337 2.309 9.487 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -12.860 3.004 11.008 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -15.089 2.877 10.474 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -14.816 3.143 8.764 1.00 3.43 H new ATOM 718 N GLN A 67 -13.847 5.858 10.985 1.00 72.24 N ATOM 719 CA GLN A 67 -14.880 6.787 11.428 1.00 45.32 C ATOM 720 C GLN A 67 -14.831 8.081 10.620 1.00 64.44 C ATOM 721 O GLN A 67 -15.862 8.585 10.175 1.00 22.22 O ATOM 722 CB GLN A 67 -14.713 7.097 12.917 1.00 34.34 C ATOM 723 CG GLN A 67 -15.992 7.569 13.587 1.00 20.25 C ATOM 724 CD GLN A 67 -15.929 9.024 14.009 1.00 13.13 C ATOM 725 OE1 GLN A 67 -14.888 9.507 14.456 1.00 43.45 O ATOM 726 NE2 GLN A 67 -17.043 9.731 13.868 1.00 40.24 N ATOM 0 H GLN A 67 -13.170 5.604 11.705 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.850 6.315 11.268 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -14.354 6.203 13.428 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -13.946 7.862 13.036 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -16.829 7.429 12.903 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.189 6.949 14.462 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -17.883 9.290 13.493 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -17.059 10.715 14.134 1.00 40.24 H new ATOM 735 N ASP A 68 -13.627 8.612 10.434 1.00 4.04 N ATOM 736 CA ASP A 68 -13.444 9.846 9.678 1.00 33.33 C ATOM 737 C ASP A 68 -14.019 9.711 8.271 1.00 4.50 C ATOM 738 O ASP A 68 -14.726 10.596 7.792 1.00 73.34 O ATOM 739 CB ASP A 68 -11.960 10.208 9.606 1.00 2.30 C ATOM 740 CG ASP A 68 -11.686 11.623 10.075 1.00 73.53 C ATOM 741 OD1 ASP A 68 -12.604 12.467 9.987 1.00 32.30 O ATOM 742 OD2 ASP A 68 -10.556 11.887 10.534 1.00 64.33 O ATOM 0 H ASP A 68 -12.764 8.207 10.796 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.979 10.644 10.193 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -11.388 9.509 10.217 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.611 10.094 8.580 1.00 2.30 H new ATOM 747 N LEU A 69 -13.706 8.599 7.614 1.00 54.14 N ATOM 748 CA LEU A 69 -14.189 8.349 6.261 1.00 21.05 C ATOM 749 C LEU A 69 -15.707 8.190 6.246 1.00 72.33 C ATOM 750 O LEU A 69 -16.385 8.697 5.353 1.00 32.02 O ATOM 751 CB LEU A 69 -13.527 7.096 5.686 1.00 63.04 C ATOM 752 CG LEU A 69 -12.007 7.018 5.821 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.569 5.591 6.112 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.331 7.538 4.561 1.00 20.54 C ATOM 0 H LEU A 69 -13.120 7.857 7.997 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.926 9.207 5.642 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.960 6.224 6.175 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.782 7.028 4.628 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.704 7.647 6.658 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.484 5.555 6.205 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -12.024 5.253 7.043 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.885 4.940 5.297 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.249 7.475 4.676 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.641 6.936 3.707 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.618 8.577 4.396 1.00 20.54 H new ATOM 766 N ARG A 70 -16.232 7.483 7.242 1.00 23.24 N ATOM 767 CA ARG A 70 -17.669 7.258 7.343 1.00 72.12 C ATOM 768 C ARG A 70 -18.408 8.566 7.610 1.00 55.23 C ATOM 769 O ARG A 70 -19.487 8.803 7.069 1.00 53.31 O ATOM 770 CB ARG A 70 -17.972 6.253 8.456 1.00 3.23 C ATOM 771 CG ARG A 70 -19.457 6.018 8.677 1.00 42.20 C ATOM 772 CD ARG A 70 -19.708 4.744 9.469 1.00 62.45 C ATOM 773 NE ARG A 70 -20.753 3.921 8.866 1.00 4.14 N ATOM 774 CZ ARG A 70 -20.535 3.078 7.861 1.00 70.41 C ATOM 775 NH1 ARG A 70 -19.318 2.948 7.352 1.00 24.21 N ATOM 776 NH2 ARG A 70 -21.537 2.363 7.366 1.00 34.32 N ATOM 0 H ARG A 70 -15.684 7.057 7.989 1.00 23.24 H new ATOM 0 HA ARG A 70 -18.015 6.853 6.392 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -17.494 5.303 8.216 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.527 6.608 9.385 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.886 6.868 9.208 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.964 5.955 7.714 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -18.784 4.168 9.532 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -19.993 5.002 10.489 1.00 62.45 H new ATOM 0 HE ARG A 70 -21.701 3.997 9.236 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -18.545 3.495 7.731 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -19.154 2.300 6.581 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.474 2.460 7.756 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -21.370 1.716 6.595 1.00 34.32 H new ATOM 790 N ASP A 71 -17.818 9.412 8.448 1.00 53.33 N ATOM 791 CA ASP A 71 -18.419 10.697 8.786 1.00 60.01 C ATOM 792 C ASP A 71 -18.558 11.575 7.547 1.00 72.41 C ATOM 793 O ASP A 71 -19.523 12.328 7.413 1.00 71.35 O ATOM 794 CB ASP A 71 -17.578 11.414 9.843 1.00 14.22 C ATOM 795 CG ASP A 71 -18.081 12.816 10.130 1.00 62.44 C ATOM 796 OD1 ASP A 71 -19.129 12.943 10.797 1.00 72.31 O ATOM 797 OD2 ASP A 71 -17.427 13.784 9.689 1.00 31.13 O ATOM 0 H ASP A 71 -16.924 9.231 8.905 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.414 10.510 9.189 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.586 10.833 10.765 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.542 11.464 9.506 1.00 14.22 H new ATOM 802 N ILE A 72 -17.588 11.475 6.645 1.00 1.12 N ATOM 803 CA ILE A 72 -17.603 12.259 5.417 1.00 75.31 C ATOM 804 C ILE A 72 -18.409 11.561 4.328 1.00 44.42 C ATOM 805 O ILE A 72 -18.436 12.003 3.179 1.00 12.52 O ATOM 806 CB ILE A 72 -16.176 12.520 4.897 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.479 11.197 4.575 1.00 55.23 C ATOM 808 CG2 ILE A 72 -15.377 13.312 5.920 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.185 11.366 3.810 1.00 0.34 C ATOM 0 H ILE A 72 -16.781 10.858 6.742 1.00 1.12 H new ATOM 0 HA ILE A 72 -18.073 13.212 5.658 1.00 75.31 H new ATOM 0 HB ILE A 72 -16.239 13.108 3.981 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.275 10.667 5.506 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.156 10.571 3.994 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -14.371 13.489 5.539 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.868 14.267 6.105 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -15.318 12.748 6.851 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -13.746 10.387 3.617 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.385 11.868 2.863 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.490 11.965 4.398 1.00 0.34 H new ATOM 821 N GLY A 73 -19.068 10.466 4.696 1.00 1.12 N ATOM 822 CA GLY A 73 -19.868 9.724 3.739 1.00 1.33 C ATOM 823 C GLY A 73 -19.203 8.433 3.305 1.00 11.10 C ATOM 824 O GLY A 73 -19.869 7.410 3.138 1.00 73.00 O ATOM 0 H GLY A 73 -19.062 10.080 5.640 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.839 9.499 4.179 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -20.052 10.347 2.863 1.00 1.33 H new ATOM 828 N ILE A 74 -17.888 8.480 3.121 1.00 51.04 N ATOM 829 CA ILE A 74 -17.135 7.304 2.703 1.00 31.22 C ATOM 830 C ILE A 74 -17.336 6.147 3.675 1.00 75.21 C ATOM 831 O ILE A 74 -16.685 6.076 4.717 1.00 30.33 O ATOM 832 CB ILE A 74 -15.629 7.610 2.593 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.397 8.818 1.683 1.00 61.11 C ATOM 834 CG2 ILE A 74 -14.878 6.395 2.071 1.00 22.03 C ATOM 835 CD1 ILE A 74 -13.937 9.169 1.505 1.00 70.13 C ATOM 0 H ILE A 74 -17.323 9.318 3.255 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.514 7.020 1.721 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.248 7.848 3.586 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -15.835 8.616 0.706 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -15.922 9.680 2.096 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -13.815 6.627 1.999 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.021 5.558 2.754 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.259 6.128 1.085 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -13.848 10.034 0.848 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.498 9.403 2.475 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.411 8.323 1.063 1.00 70.13 H new ATOM 847 N SER A 75 -18.243 5.239 3.326 1.00 25.45 N ATOM 848 CA SER A 75 -18.534 4.085 4.168 1.00 13.40 C ATOM 849 C SER A 75 -18.168 2.787 3.456 1.00 74.40 C ATOM 850 O SER A 75 -17.832 1.789 4.094 1.00 20.24 O ATOM 851 CB SER A 75 -20.013 4.069 4.556 1.00 21.25 C ATOM 852 OG SER A 75 -20.806 4.705 3.569 1.00 33.10 O ATOM 0 H SER A 75 -18.789 5.281 2.465 1.00 25.45 H new ATOM 0 HA SER A 75 -17.931 4.165 5.072 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.347 3.040 4.687 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.146 4.572 5.514 1.00 21.25 H new ATOM 0 HG SER A 75 -20.580 5.658 3.532 1.00 33.10 H new ATOM 858 N ASP A 76 -18.238 2.808 2.129 1.00 53.52 N ATOM 859 CA ASP A 76 -17.914 1.634 1.327 1.00 32.34 C ATOM 860 C ASP A 76 -16.503 1.139 1.633 1.00 34.05 C ATOM 861 O ASP A 76 -15.615 1.908 2.002 1.00 20.20 O ATOM 862 CB ASP A 76 -18.043 1.955 -0.163 1.00 33.23 C ATOM 863 CG ASP A 76 -19.318 1.399 -0.765 1.00 62.33 C ATOM 864 OD1 ASP A 76 -19.743 0.302 -0.346 1.00 35.40 O ATOM 865 OD2 ASP A 76 -19.890 2.060 -1.658 1.00 10.22 O ATOM 0 H ASP A 76 -18.516 3.626 1.586 1.00 53.52 H new ATOM 0 HA ASP A 76 -18.621 0.844 1.583 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.020 3.036 -0.302 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.184 1.546 -0.696 1.00 33.23 H new ATOM 870 N PRO A 77 -16.290 -0.177 1.478 1.00 11.41 N ATOM 871 CA PRO A 77 -14.990 -0.803 1.733 1.00 74.34 C ATOM 872 C PRO A 77 -13.945 -0.412 0.693 1.00 3.05 C ATOM 873 O PRO A 77 -12.813 -0.073 1.038 1.00 54.31 O ATOM 874 CB PRO A 77 -15.296 -2.301 1.647 1.00 62.34 C ATOM 875 CG PRO A 77 -16.496 -2.392 0.771 1.00 3.44 C ATOM 876 CD PRO A 77 -17.303 -1.153 1.042 1.00 12.32 C ATOM 0 HA PRO A 77 -14.568 -0.494 2.690 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -14.456 -2.853 1.226 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -15.493 -2.722 2.633 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.209 -2.449 -0.279 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.073 -3.290 0.992 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -17.831 -0.814 0.151 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.055 -1.323 1.812 1.00 12.32 H new ATOM 884 N GLN A 78 -14.332 -0.461 -0.576 1.00 22.03 N ATOM 885 CA GLN A 78 -13.427 -0.111 -1.665 1.00 20.20 C ATOM 886 C GLN A 78 -13.192 1.395 -1.716 1.00 31.22 C ATOM 887 O GLN A 78 -12.330 1.875 -2.453 1.00 34.23 O ATOM 888 CB GLN A 78 -13.991 -0.597 -3.001 1.00 23.11 C ATOM 889 CG GLN A 78 -14.256 -2.093 -3.042 1.00 52.33 C ATOM 890 CD GLN A 78 -14.279 -2.643 -4.455 1.00 11.41 C ATOM 891 OE1 GLN A 78 -13.370 -2.391 -5.247 1.00 41.05 O ATOM 892 NE2 GLN A 78 -15.320 -3.400 -4.779 1.00 41.45 N ATOM 0 H GLN A 78 -15.266 -0.740 -0.877 1.00 22.03 H new ATOM 0 HA GLN A 78 -12.472 -0.603 -1.482 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -14.920 -0.066 -3.208 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -13.292 -0.338 -3.796 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -13.488 -2.610 -2.467 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.210 -2.302 -2.559 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -16.051 -3.583 -4.092 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -15.389 -3.798 -5.715 1.00 41.45 H new ATOM 901 N HIS A 79 -13.966 2.136 -0.928 1.00 40.31 N ATOM 902 CA HIS A 79 -13.841 3.588 -0.884 1.00 53.12 C ATOM 903 C HIS A 79 -13.123 4.033 0.387 1.00 14.42 C ATOM 904 O HIS A 79 -12.485 5.086 0.414 1.00 71.44 O ATOM 905 CB HIS A 79 -15.221 4.242 -0.958 1.00 4.55 C ATOM 906 CG HIS A 79 -15.927 4.006 -2.257 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.136 4.588 -2.575 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.585 3.246 -3.325 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.508 4.195 -3.780 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.584 3.381 -4.257 1.00 70.41 N ATOM 0 H HIS A 79 -14.685 1.755 -0.313 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.250 3.903 -1.744 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.838 3.862 -0.144 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.114 5.315 -0.802 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.693 2.646 -3.425 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.414 4.489 -4.289 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.609 2.926 -5.170 1.00 70.41 H new ATOM 918 N ARG A 80 -13.232 3.225 1.436 1.00 4.22 N ATOM 919 CA ARG A 80 -12.594 3.538 2.710 1.00 30.13 C ATOM 920 C ARG A 80 -11.125 3.123 2.698 1.00 13.34 C ATOM 921 O ARG A 80 -10.262 3.849 3.193 1.00 23.11 O ATOM 922 CB ARG A 80 -13.324 2.834 3.856 1.00 5.54 C ATOM 923 CG ARG A 80 -14.234 3.755 4.654 1.00 32.10 C ATOM 924 CD ARG A 80 -14.826 3.043 5.860 1.00 61.34 C ATOM 925 NE ARG A 80 -13.802 2.372 6.657 1.00 63.42 N ATOM 926 CZ ARG A 80 -13.462 1.099 6.494 1.00 71.04 C ATOM 927 NH1 ARG A 80 -14.060 0.362 5.568 1.00 64.32 N ATOM 928 NH2 ARG A 80 -12.520 0.559 7.258 1.00 51.11 N ATOM 0 H ARG A 80 -13.755 2.350 1.430 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.649 4.616 2.861 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -13.916 2.014 3.449 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.588 2.393 4.528 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.671 4.627 4.985 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -15.038 4.119 4.014 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -15.355 3.764 6.483 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -15.561 2.312 5.524 1.00 61.34 H new ATOM 0 HE ARG A 80 -13.322 2.911 7.378 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -14.784 0.773 4.978 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -13.796 -0.616 5.446 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -12.057 1.122 7.971 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -12.260 -0.419 7.132 1.00 51.11 H new ATOM 942 N ARG A 81 -10.850 1.953 2.132 1.00 52.33 N ATOM 943 CA ARG A 81 -9.487 1.442 2.058 1.00 13.14 C ATOM 944 C ARG A 81 -8.666 2.231 1.042 1.00 31.35 C ATOM 945 O ARG A 81 -7.477 2.479 1.247 1.00 21.33 O ATOM 946 CB ARG A 81 -9.496 -0.041 1.681 1.00 64.45 C ATOM 947 CG ARG A 81 -8.661 -0.910 2.608 1.00 51.20 C ATOM 948 CD ARG A 81 -9.527 -1.620 3.636 1.00 20.30 C ATOM 949 NE ARG A 81 -9.067 -2.982 3.893 1.00 44.34 N ATOM 950 CZ ARG A 81 -9.822 -3.919 4.455 1.00 62.31 C ATOM 951 NH1 ARG A 81 -11.068 -3.644 4.816 1.00 63.52 N ATOM 952 NH2 ARG A 81 -9.331 -5.135 4.656 1.00 72.44 N ATOM 0 H ARG A 81 -11.553 1.341 1.718 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.028 1.558 3.040 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.524 -0.402 1.686 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.125 -0.150 0.662 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -8.112 -1.647 2.021 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -7.921 -0.293 3.118 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -9.522 -1.054 4.567 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -10.559 -1.646 3.285 1.00 20.30 H new ATOM 0 HE ARG A 81 -8.114 -3.227 3.626 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -11.449 -2.711 4.662 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -11.645 -4.366 5.247 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -8.373 -5.351 4.379 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -9.911 -5.854 5.088 1.00 72.44 H new ATOM 966 N LYS A 82 -9.306 2.622 -0.053 1.00 13.53 N ATOM 967 CA LYS A 82 -8.636 3.384 -1.102 1.00 64.41 C ATOM 968 C LYS A 82 -8.232 4.765 -0.597 1.00 20.04 C ATOM 969 O LYS A 82 -7.123 5.234 -0.860 1.00 33.00 O ATOM 970 CB LYS A 82 -9.548 3.522 -2.323 1.00 4.21 C ATOM 971 CG LYS A 82 -8.794 3.610 -3.638 1.00 41.51 C ATOM 972 CD LYS A 82 -9.596 3.013 -4.782 1.00 45.43 C ATOM 973 CE LYS A 82 -8.706 2.660 -5.963 1.00 33.41 C ATOM 974 NZ LYS A 82 -8.616 1.188 -6.171 1.00 53.50 N ATOM 0 H LYS A 82 -10.289 2.424 -0.239 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.734 2.843 -1.390 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.225 2.669 -2.359 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.164 4.413 -2.207 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -8.565 4.653 -3.858 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -7.842 3.087 -3.548 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -10.115 2.119 -4.436 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -10.360 3.722 -5.100 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -9.097 3.131 -6.865 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -7.707 3.065 -5.799 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -8.000 0.989 -6.985 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -8.220 0.741 -5.320 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -9.565 0.804 -6.353 1.00 53.50 H new ATOM 988 N LEU A 83 -9.135 5.411 0.132 1.00 25.51 N ATOM 989 CA LEU A 83 -8.872 6.739 0.676 1.00 70.13 C ATOM 990 C LEU A 83 -7.851 6.672 1.807 1.00 75.12 C ATOM 991 O LEU A 83 -7.245 7.680 2.171 1.00 34.51 O ATOM 992 CB LEU A 83 -10.170 7.371 1.182 1.00 44.33 C ATOM 993 CG LEU A 83 -10.397 8.834 0.802 1.00 35.54 C ATOM 994 CD1 LEU A 83 -9.346 9.723 1.448 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.383 9.001 -0.710 1.00 61.21 C ATOM 0 H LEU A 83 -10.056 5.037 0.360 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.462 7.357 -0.123 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -11.007 6.784 0.804 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -10.190 7.292 2.269 1.00 44.33 H new ATOM 0 HG LEU A 83 -11.377 9.137 1.172 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -9.524 10.761 1.166 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.404 9.627 2.532 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -8.355 9.420 1.110 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.546 10.049 -0.962 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -9.418 8.679 -1.103 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -11.174 8.395 -1.150 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.665 5.477 2.358 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.715 5.277 3.446 1.00 3.44 C ATOM 1009 C LEU A 84 -5.375 4.777 2.915 1.00 72.44 C ATOM 1010 O LEU A 84 -4.344 4.923 3.571 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.277 4.283 4.463 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.725 4.873 5.801 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.512 6.155 5.583 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.554 3.861 6.579 1.00 42.04 C ATOM 0 H LEU A 84 -8.159 4.633 2.069 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.554 6.237 3.936 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.127 3.773 4.011 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.518 3.526 4.659 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.837 5.112 6.386 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.822 6.560 6.546 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.886 6.883 5.068 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.393 5.942 4.978 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.864 4.298 7.528 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.436 3.590 5.999 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.956 2.969 6.768 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.400 4.187 1.724 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.187 3.666 1.105 1.00 44.01 C ATOM 1028 C GLN A 85 -3.453 4.762 0.340 1.00 32.52 C ATOM 1029 O GLN A 85 -2.222 4.806 0.328 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.527 2.511 0.162 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.369 1.553 -0.067 1.00 71.24 C ATOM 1032 CD GLN A 85 -3.537 0.723 -1.325 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -4.638 0.611 -1.866 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -2.444 0.135 -1.797 1.00 23.34 N ATOM 0 H GLN A 85 -6.246 4.058 1.169 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.533 3.300 1.897 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.372 1.956 0.570 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.846 2.918 -0.797 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -2.441 2.120 -0.132 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -3.277 0.889 0.792 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -1.552 0.255 -1.316 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -2.496 -0.437 -2.640 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.214 5.645 -0.296 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.636 6.743 -1.062 1.00 23.11 C ATOM 1045 C ALA A 86 -3.213 7.888 -0.147 1.00 41.35 C ATOM 1046 O ALA A 86 -2.428 8.750 -0.540 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.625 7.237 -2.107 1.00 11.45 C ATOM 0 H ALA A 86 -5.234 5.622 -0.296 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.746 6.370 -1.569 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.180 8.057 -2.671 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -4.874 6.422 -2.787 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.532 7.587 -1.613 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.740 7.889 1.072 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.416 8.928 2.043 1.00 1.44 C ATOM 1055 C ALA A 87 -2.146 8.582 2.813 1.00 72.32 C ATOM 1056 O ALA A 87 -1.273 9.430 3.002 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.578 9.133 3.003 1.00 23.42 C ATOM 0 H ALA A 87 -4.393 7.183 1.412 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.239 9.857 1.500 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.323 9.911 3.722 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.464 9.433 2.443 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.781 8.202 3.532 1.00 23.42 H new ATOM 1063 N ARG A 88 -2.050 7.333 3.257 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.887 6.876 4.009 1.00 15.24 C ATOM 1065 C ARG A 88 0.312 6.674 3.086 1.00 1.23 C ATOM 1066 O ARG A 88 1.459 6.690 3.531 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.206 5.572 4.740 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.393 5.744 6.239 1.00 20.20 C ATOM 1069 CD ARG A 88 -2.644 5.031 6.730 1.00 33.11 C ATOM 1070 NE ARG A 88 -2.344 3.705 7.262 1.00 14.11 N ATOM 1071 CZ ARG A 88 -1.854 3.495 8.480 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -1.611 4.519 9.286 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -1.608 2.258 8.892 1.00 35.20 N ATOM 0 H ARG A 88 -2.764 6.619 3.109 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.635 7.643 4.742 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -2.113 5.140 4.316 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -0.401 4.859 4.562 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -0.521 5.353 6.763 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -1.460 6.805 6.479 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -3.124 5.632 7.503 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -3.355 4.940 5.909 1.00 33.11 H new ATOM 0 HE ARG A 88 -2.520 2.896 6.667 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -1.800 5.471 8.972 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -1.235 4.355 10.220 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -1.795 1.468 8.274 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -1.232 2.097 9.826 1.00 35.20 H new ATOM 1087 N SER A 89 0.037 6.484 1.799 1.00 60.43 N ATOM 1088 CA SER A 89 1.091 6.274 0.815 1.00 31.34 C ATOM 1089 C SER A 89 1.858 7.568 0.557 1.00 64.31 C ATOM 1090 O SER A 89 2.895 7.567 -0.108 1.00 22.54 O ATOM 1091 CB SER A 89 0.500 5.748 -0.494 1.00 41.01 C ATOM 1092 OG SER A 89 -0.513 6.612 -0.979 1.00 40.14 O ATOM 0 H SER A 89 -0.908 6.471 1.414 1.00 60.43 H new ATOM 0 HA SER A 89 1.784 5.534 1.214 1.00 31.34 H new ATOM 0 HB2 SER A 89 1.289 5.652 -1.240 1.00 41.01 H new ATOM 0 HB3 SER A 89 0.088 4.751 -0.336 1.00 41.01 H new ATOM 0 HG SER A 89 -0.639 6.462 -1.939 1.00 40.14 H new ATOM 1098 N LEU A 90 1.340 8.671 1.085 1.00 13.20 N ATOM 1099 CA LEU A 90 1.974 9.973 0.912 1.00 20.50 C ATOM 1100 C LEU A 90 3.120 10.156 1.902 1.00 33.31 C ATOM 1101 O LEU A 90 3.207 9.473 2.923 1.00 24.22 O ATOM 1102 CB LEU A 90 0.946 11.091 1.093 1.00 31.32 C ATOM 1103 CG LEU A 90 0.219 11.546 -0.174 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.285 11.404 -0.005 1.00 13.43 C ATOM 1105 CD2 LEU A 90 0.587 12.982 -0.512 1.00 41.41 C ATOM 0 H LEU A 90 0.482 8.690 1.637 1.00 13.20 H new ATOM 0 HA LEU A 90 2.380 10.021 -0.099 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.201 10.759 1.816 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.450 11.954 1.528 1.00 31.32 H new ATOM 0 HG LEU A 90 0.533 10.908 -1.000 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.786 11.732 -0.916 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.532 10.360 0.189 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.617 12.018 0.833 1.00 13.43 H new ATOM 0 HD21 LEU A 90 0.061 13.289 -1.416 1.00 41.41 H new ATOM 0 HD22 LEU A 90 0.302 13.635 0.313 1.00 41.41 H new ATOM 0 HD23 LEU A 90 1.662 13.053 -0.676 1.00 41.41 H new ATOM 1117 N PRO A 91 4.020 11.103 1.597 1.00 61.04 N ATOM 1118 CA PRO A 91 5.176 11.399 2.448 1.00 0.30 C ATOM 1119 C PRO A 91 4.774 12.067 3.759 1.00 31.13 C ATOM 1120 O PRO A 91 3.589 12.275 4.025 1.00 53.20 O ATOM 1121 CB PRO A 91 6.009 12.359 1.594 1.00 50.35 C ATOM 1122 CG PRO A 91 5.027 12.998 0.675 1.00 2.33 C ATOM 1123 CD PRO A 91 3.979 11.955 0.398 1.00 23.44 C ATOM 0 HA PRO A 91 5.709 10.494 2.740 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.514 13.101 2.212 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.782 11.827 1.039 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.585 13.884 1.131 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.509 13.321 -0.248 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.995 12.402 0.256 1.00 23.44 H new ATOM 0 HD3 PRO A 91 4.205 11.388 -0.505 1.00 23.44 H new ATOM 1131 N LYS A 92 5.767 12.402 4.576 1.00 32.51 N ATOM 1132 CA LYS A 92 5.517 13.048 5.859 1.00 1.54 C ATOM 1133 C LYS A 92 4.610 12.189 6.734 1.00 11.31 C ATOM 1134 O LYS A 92 3.612 12.671 7.272 1.00 11.14 O ATOM 1135 CB LYS A 92 4.884 14.424 5.647 1.00 24.45 C ATOM 1136 CG LYS A 92 5.862 15.473 5.144 1.00 34.54 C ATOM 1137 CD LYS A 92 5.788 15.625 3.633 1.00 43.24 C ATOM 1138 CE LYS A 92 5.192 16.967 3.237 1.00 22.10 C ATOM 1139 NZ LYS A 92 4.740 16.975 1.818 1.00 24.23 N ATOM 0 H LYS A 92 6.753 12.237 4.372 1.00 32.51 H new ATOM 0 HA LYS A 92 6.474 13.170 6.367 1.00 1.54 H new ATOM 0 HB2 LYS A 92 4.065 14.332 4.934 1.00 24.45 H new ATOM 0 HB3 LYS A 92 4.451 14.764 6.588 1.00 24.45 H new ATOM 0 HG2 LYS A 92 5.646 16.430 5.618 1.00 34.54 H new ATOM 0 HG3 LYS A 92 6.876 15.196 5.434 1.00 34.54 H new ATOM 0 HD2 LYS A 92 6.787 15.529 3.207 1.00 43.24 H new ATOM 0 HD3 LYS A 92 5.184 14.820 3.214 1.00 43.24 H new ATOM 0 HE2 LYS A 92 4.349 17.196 3.888 1.00 22.10 H new ATOM 0 HE3 LYS A 92 5.933 17.752 3.387 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 4.340 17.907 1.586 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 5.550 16.781 1.195 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 4.014 16.243 1.681 1.00 24.23 H new ATOM 1153 N VAL A 93 4.962 10.915 6.873 1.00 22.10 N ATOM 1154 CA VAL A 93 4.180 9.990 7.684 1.00 41.34 C ATOM 1155 C VAL A 93 5.053 9.303 8.728 1.00 71.23 C ATOM 1156 O VAL A 93 6.249 9.102 8.520 1.00 62.52 O ATOM 1157 CB VAL A 93 3.500 8.916 6.813 1.00 15.35 C ATOM 1158 CG1 VAL A 93 4.541 8.018 6.163 1.00 45.14 C ATOM 1159 CG2 VAL A 93 2.522 8.099 7.643 1.00 64.23 C ATOM 0 H VAL A 93 5.784 10.500 6.434 1.00 22.10 H new ATOM 0 HA VAL A 93 3.413 10.579 8.186 1.00 41.34 H new ATOM 0 HB VAL A 93 2.941 9.415 6.021 1.00 15.35 H new ATOM 0 HG11 VAL A 93 4.042 7.266 5.552 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.198 8.619 5.534 1.00 45.14 H new ATOM 0 HG13 VAL A 93 5.130 7.525 6.936 1.00 45.14 H new ATOM 0 HG21 VAL A 93 2.051 7.345 7.012 1.00 64.23 H new ATOM 0 HG22 VAL A 93 3.056 7.609 8.457 1.00 64.23 H new ATOM 0 HG23 VAL A 93 1.757 8.757 8.056 1.00 64.23 H new ATOM 1169 N LYS A 94 4.445 8.943 9.855 1.00 33.11 N ATOM 1170 CA LYS A 94 5.165 8.276 10.933 1.00 74.13 C ATOM 1171 C LYS A 94 4.906 6.773 10.913 1.00 13.12 C ATOM 1172 O LYS A 94 4.715 6.152 11.959 1.00 64.04 O ATOM 1173 CB LYS A 94 4.750 8.858 12.287 1.00 63.31 C ATOM 1174 CG LYS A 94 3.269 8.710 12.583 1.00 1.04 C ATOM 1175 CD LYS A 94 3.002 8.654 14.079 1.00 2.13 C ATOM 1176 CE LYS A 94 1.513 8.555 14.376 1.00 55.41 C ATOM 1177 NZ LYS A 94 1.001 7.170 14.192 1.00 3.32 N ATOM 0 H LYS A 94 3.456 9.102 10.044 1.00 33.11 H new ATOM 0 HA LYS A 94 6.231 8.445 10.783 1.00 74.13 H new ATOM 0 HB2 LYS A 94 5.320 8.366 13.075 1.00 63.31 H new ATOM 0 HB3 LYS A 94 5.014 9.915 12.315 1.00 63.31 H new ATOM 0 HG2 LYS A 94 2.724 9.547 12.146 1.00 1.04 H new ATOM 0 HG3 LYS A 94 2.891 7.803 12.111 1.00 1.04 H new ATOM 0 HD2 LYS A 94 3.518 7.796 14.510 1.00 2.13 H new ATOM 0 HD3 LYS A 94 3.411 9.545 14.556 1.00 2.13 H new ATOM 0 HE2 LYS A 94 1.325 8.879 15.400 1.00 55.41 H new ATOM 0 HE3 LYS A 94 0.966 9.234 13.722 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 -0.017 7.145 14.404 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 1.157 6.870 13.209 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 1.504 6.526 14.835 1.00 3.32 H new ATOM 1191 N ALA A 95 4.902 6.194 9.717 1.00 43.24 N ATOM 1192 CA ALA A 95 4.670 4.764 9.561 1.00 22.34 C ATOM 1193 C ALA A 95 4.986 4.307 8.141 1.00 53.05 C ATOM 1194 O ALA A 95 4.186 4.498 7.224 1.00 63.35 O ATOM 1195 CB ALA A 95 3.232 4.421 9.921 1.00 52.25 C ATOM 0 H ALA A 95 5.057 6.694 8.842 1.00 43.24 H new ATOM 0 HA ALA A 95 5.339 4.236 10.241 1.00 22.34 H new ATOM 0 HB1 ALA A 95 3.072 3.350 9.800 1.00 52.25 H new ATOM 0 HB2 ALA A 95 3.039 4.702 10.956 1.00 52.25 H new ATOM 0 HB3 ALA A 95 2.553 4.965 9.265 1.00 52.25 H new ATOM 1201 N LEU A 96 6.156 3.704 7.965 1.00 64.45 N ATOM 1202 CA LEU A 96 6.578 3.220 6.656 1.00 14.02 C ATOM 1203 C LEU A 96 6.613 4.358 5.640 1.00 34.44 C ATOM 1204 O LEU A 96 6.273 5.497 5.957 1.00 71.42 O ATOM 1205 CB LEU A 96 5.637 2.116 6.170 1.00 51.12 C ATOM 1206 CG LEU A 96 6.029 0.687 6.544 1.00 73.52 C ATOM 1207 CD1 LEU A 96 5.394 0.289 7.867 1.00 13.14 C ATOM 1208 CD2 LEU A 96 5.624 -0.283 5.444 1.00 22.44 C ATOM 0 H LEU A 96 6.830 3.539 8.713 1.00 64.45 H new ATOM 0 HA LEU A 96 7.585 2.813 6.754 1.00 14.02 H new ATOM 0 HB2 LEU A 96 4.641 2.314 6.567 1.00 51.12 H new ATOM 0 HB3 LEU A 96 5.565 2.179 5.084 1.00 51.12 H new ATOM 0 HG LEU A 96 7.112 0.646 6.656 1.00 73.52 H new ATOM 0 HD11 LEU A 96 5.684 -0.731 8.117 1.00 13.14 H new ATOM 0 HD12 LEU A 96 5.733 0.966 8.651 1.00 13.14 H new ATOM 0 HD13 LEU A 96 4.309 0.347 7.782 1.00 13.14 H new ATOM 0 HD21 LEU A 96 5.911 -1.295 5.728 1.00 22.44 H new ATOM 0 HD22 LEU A 96 4.545 -0.239 5.299 1.00 22.44 H new ATOM 0 HD23 LEU A 96 6.126 -0.010 4.516 1.00 22.44 H new ATOM 1220 N GLY A 97 7.027 4.040 4.417 1.00 30.52 N ATOM 1221 CA GLY A 97 7.097 5.047 3.373 1.00 24.04 C ATOM 1222 C GLY A 97 7.936 4.600 2.194 1.00 63.23 C ATOM 1223 O GLY A 97 8.927 5.246 1.847 1.00 25.44 O ATOM 0 H GLY A 97 7.315 3.104 4.130 1.00 30.52 H new ATOM 0 HA2 GLY A 97 6.089 5.281 3.030 1.00 24.04 H new ATOM 0 HA3 GLY A 97 7.515 5.965 3.785 1.00 24.04 H new ATOM 1227 N TYR A 98 7.544 3.492 1.575 1.00 25.14 N ATOM 1228 CA TYR A 98 8.270 2.957 0.429 1.00 64.42 C ATOM 1229 C TYR A 98 7.483 1.833 -0.239 1.00 51.13 C ATOM 1230 O TYR A 98 7.063 0.880 0.417 1.00 44.34 O ATOM 1231 CB TYR A 98 9.644 2.444 0.864 1.00 63.01 C ATOM 1232 CG TYR A 98 9.586 1.441 1.994 1.00 12.11 C ATOM 1233 CD1 TYR A 98 9.523 1.860 3.317 1.00 53.53 C ATOM 1234 CD2 TYR A 98 9.594 0.076 1.737 1.00 14.42 C ATOM 1235 CE1 TYR A 98 9.472 0.946 4.353 1.00 3.43 C ATOM 1236 CE2 TYR A 98 9.541 -0.844 2.767 1.00 72.14 C ATOM 1237 CZ TYR A 98 9.480 -0.404 4.072 1.00 62.14 C ATOM 1238 OH TYR A 98 9.427 -1.316 5.101 1.00 14.41 O ATOM 0 H TYR A 98 6.727 2.946 1.848 1.00 25.14 H new ATOM 0 HA TYR A 98 8.402 3.762 -0.294 1.00 64.42 H new ATOM 0 HB2 TYR A 98 10.139 1.986 0.008 1.00 63.01 H new ATOM 0 HB3 TYR A 98 10.258 3.291 1.172 1.00 63.01 H new ATOM 0 HD1 TYR A 98 9.514 2.917 3.540 1.00 53.53 H new ATOM 0 HD2 TYR A 98 9.642 -0.272 0.716 1.00 14.42 H new ATOM 0 HE1 TYR A 98 9.426 1.287 5.377 1.00 3.43 H new ATOM 0 HE2 TYR A 98 9.547 -1.902 2.551 1.00 72.14 H new ATOM 0 HH TYR A 98 9.440 -2.225 4.734 1.00 14.41 H new ATOM 1248 N ASP A 99 7.288 1.954 -1.547 1.00 64.12 N ATOM 1249 CA ASP A 99 6.554 0.948 -2.306 1.00 43.03 C ATOM 1250 C ASP A 99 6.600 1.254 -3.800 1.00 30.11 C ATOM 1251 O ASP A 99 5.563 1.363 -4.453 1.00 40.41 O ATOM 1252 CB ASP A 99 5.102 0.879 -1.831 1.00 22.25 C ATOM 1253 CG ASP A 99 4.449 -0.450 -2.156 1.00 73.14 C ATOM 1254 OD1 ASP A 99 5.149 -1.483 -2.105 1.00 62.33 O ATOM 1255 OD2 ASP A 99 3.237 -0.457 -2.458 1.00 3.24 O ATOM 0 H ASP A 99 7.628 2.738 -2.104 1.00 64.12 H new ATOM 0 HA ASP A 99 7.029 -0.018 -2.137 1.00 43.03 H new ATOM 0 HB2 ASP A 99 5.067 1.044 -0.754 1.00 22.25 H new ATOM 0 HB3 ASP A 99 4.532 1.684 -2.296 1.00 22.25 H new ATOM 1260 N GLY A 100 7.809 1.393 -4.334 1.00 30.40 N ATOM 1261 CA GLY A 100 7.967 1.686 -5.746 1.00 21.03 C ATOM 1262 C GLY A 100 8.083 3.173 -6.021 1.00 71.20 C ATOM 1263 O GLY A 100 8.622 3.920 -5.205 1.00 45.11 O ATOM 0 H GLY A 100 8.682 1.308 -3.814 1.00 30.40 H new ATOM 0 HA2 GLY A 100 8.856 1.180 -6.122 1.00 21.03 H new ATOM 0 HA3 GLY A 100 7.116 1.284 -6.295 1.00 21.03 H new ATOM 1267 N ASN A 101 7.578 3.602 -7.173 1.00 21.13 N ATOM 1268 CA ASN A 101 7.630 5.009 -7.553 1.00 21.40 C ATOM 1269 C ASN A 101 6.232 5.616 -7.580 1.00 52.20 C ATOM 1270 O ASN A 101 5.277 4.981 -8.029 1.00 73.11 O ATOM 1271 CB ASN A 101 8.293 5.164 -8.923 1.00 4.53 C ATOM 1272 CG ASN A 101 9.805 5.070 -8.847 1.00 13.32 C ATOM 1273 OD1 ASN A 101 10.375 4.896 -7.769 1.00 64.14 O ATOM 1274 ND2 ASN A 101 10.463 5.182 -9.995 1.00 14.14 N ATOM 0 H ASN A 101 7.128 2.996 -7.859 1.00 21.13 H new ATOM 0 HA ASN A 101 8.223 5.540 -6.808 1.00 21.40 H new ATOM 0 HB2 ASN A 101 7.917 4.393 -9.595 1.00 4.53 H new ATOM 0 HB3 ASN A 101 8.012 6.126 -9.353 1.00 4.53 H new ATOM 0 HD21 ASN A 101 11.481 5.125 -10.007 1.00 14.14 H new ATOM 0 HD22 ASN A 101 9.950 5.325 -10.865 1.00 14.14 H new TER 1281 ASN A 101