USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.0959 X(o=-3.2,f=-3.4!) USER MOD Set 1.3: A 126 ASN : amide:sc= -3.31! K(o=-3.2!,f=-1.1) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= -0.0127 (180deg=-0.134) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.2!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -66:sc= 0.0547 USER MOD Single : A 68 SER OG : rot 170:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.344 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.408 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -118:sc= -0.038 (180deg=-0.222) USER MOD Single : A 99 ASN : amide:sc= -0.0646 K(o=-0.065,f=-1.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 21:sc= 0.275 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0.0078) USER MOD Single : A 116 TYR OH : rot 179:sc= 0.481 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 32:sc= 0.494 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 21.982 -39.442 81.368 1.00 13.53 N ATOM 35 CA ALA A 3 20.705 -39.156 81.988 1.00 44.14 C ATOM 36 C ALA A 3 20.755 -39.477 83.473 1.00 12.41 C ATOM 37 O ALA A 3 20.797 -40.647 83.871 1.00 61.41 O ATOM 38 CB ALA A 3 19.583 -39.926 81.301 1.00 63.30 C ATOM 0 HA ALA A 3 20.497 -38.092 81.874 1.00 44.14 H new ATOM 0 HB1 ALA A 3 18.634 -39.695 81.784 1.00 63.30 H new ATOM 0 HB2 ALA A 3 19.535 -39.639 80.251 1.00 63.30 H new ATOM 0 HB3 ALA A 3 19.777 -40.996 81.376 1.00 63.30 H new ATOM 44 N ARG A 4 20.799 -38.423 84.283 1.00 34.14 N ATOM 45 CA ARG A 4 20.750 -38.547 85.737 1.00 21.20 C ATOM 46 C ARG A 4 19.359 -38.979 86.179 1.00 62.44 C ATOM 47 O ARG A 4 18.360 -38.488 85.646 1.00 10.44 O ATOM 48 CB ARG A 4 21.089 -37.218 86.411 1.00 62.01 C ATOM 49 CG ARG A 4 22.524 -36.744 86.250 1.00 42.45 C ATOM 50 CD ARG A 4 22.704 -35.399 86.936 1.00 23.34 C ATOM 51 NE ARG A 4 24.095 -34.944 86.975 1.00 1.04 N ATOM 52 CZ ARG A 4 24.467 -33.669 87.162 1.00 41.34 C ATOM 53 NH1 ARG A 4 23.552 -32.699 87.217 1.00 2.24 N ATOM 54 NH2 ARG A 4 25.749 -33.365 87.280 1.00 65.14 N ATOM 0 H ARG A 4 20.869 -37.461 83.951 1.00 34.14 H new ATOM 0 HA ARG A 4 21.485 -39.296 86.032 1.00 21.20 H new ATOM 0 HB2 ARG A 4 20.425 -36.450 86.013 1.00 62.01 H new ATOM 0 HB3 ARG A 4 20.872 -37.306 87.476 1.00 62.01 H new ATOM 0 HG2 ARG A 4 23.208 -37.476 86.679 1.00 42.45 H new ATOM 0 HG3 ARG A 4 22.772 -36.659 85.192 1.00 42.45 H new ATOM 0 HD2 ARG A 4 22.101 -34.653 86.419 1.00 23.34 H new ATOM 0 HD3 ARG A 4 22.323 -35.466 87.955 1.00 23.34 H new ATOM 0 HE ARG A 4 24.829 -35.642 86.852 1.00 1.04 H new ATOM 0 HH11 ARG A 4 22.562 -32.925 87.117 1.00 2.24 H new ATOM 0 HH12 ARG A 4 23.842 -31.732 87.359 1.00 2.24 H new ATOM 0 HH21 ARG A 4 26.454 -34.100 87.229 1.00 65.14 H new ATOM 0 HH22 ARG A 4 26.032 -32.395 87.422 1.00 65.14 H new ATOM 68 N ASP A 5 19.297 -39.893 87.142 1.00 22.33 N ATOM 69 CA ASP A 5 18.018 -40.367 87.663 1.00 53.35 C ATOM 70 C ASP A 5 17.391 -39.294 88.545 1.00 31.00 C ATOM 71 O ASP A 5 17.955 -38.918 89.581 1.00 14.45 O ATOM 72 CB ASP A 5 18.188 -41.676 88.448 1.00 32.01 C ATOM 73 CG ASP A 5 16.862 -42.274 88.900 1.00 41.34 C ATOM 74 OD1 ASP A 5 16.134 -42.837 88.053 1.00 51.05 O ATOM 75 OD2 ASP A 5 16.545 -42.182 90.103 1.00 14.44 O ATOM 0 H ASP A 5 20.115 -40.320 87.577 1.00 22.33 H new ATOM 0 HA ASP A 5 17.357 -40.570 86.820 1.00 53.35 H new ATOM 0 HB2 ASP A 5 18.714 -42.401 87.826 1.00 32.01 H new ATOM 0 HB3 ASP A 5 18.814 -41.491 89.321 1.00 32.01 H new ATOM 80 N ASN A 6 16.249 -38.781 88.109 1.00 44.10 N ATOM 81 CA ASN A 6 15.564 -37.714 88.820 1.00 21.30 C ATOM 82 C ASN A 6 14.092 -38.029 89.012 1.00 52.42 C ATOM 83 O ASN A 6 13.386 -38.387 88.064 1.00 31.43 O ATOM 84 CB ASN A 6 15.701 -36.361 88.099 1.00 52.34 C ATOM 85 CG ASN A 6 17.087 -35.758 88.223 1.00 3.43 C ATOM 86 OD1 ASN A 6 17.429 -35.192 89.254 1.00 64.10 O ATOM 87 ND2 ASN A 6 17.870 -35.825 87.156 1.00 61.14 N ATOM 0 H ASN A 6 15.776 -39.090 87.260 1.00 44.10 H new ATOM 0 HA ASN A 6 16.045 -37.641 89.795 1.00 21.30 H new ATOM 0 HB2 ASN A 6 15.462 -36.493 87.044 1.00 52.34 H new ATOM 0 HB3 ASN A 6 14.970 -35.663 88.507 1.00 52.34 H new ATOM 0 HD21 ASN A 6 18.795 -35.396 87.174 1.00 61.14 H new ATOM 0 HD22 ASN A 6 17.548 -36.306 86.316 1.00 61.14 H new ATOM 94 N LYS A 7 13.643 -37.894 90.249 1.00 40.35 N ATOM 95 CA LYS A 7 12.238 -38.022 90.578 1.00 44.41 C ATOM 96 C LYS A 7 11.867 -36.953 91.602 1.00 71.21 C ATOM 97 O LYS A 7 12.023 -37.142 92.813 1.00 1.11 O ATOM 98 CB LYS A 7 11.912 -39.431 91.101 1.00 3.31 C ATOM 99 CG LYS A 7 10.428 -39.674 91.342 1.00 44.24 C ATOM 100 CD LYS A 7 10.170 -41.070 91.872 1.00 74.34 C ATOM 101 CE LYS A 7 8.690 -41.301 92.135 1.00 70.51 C ATOM 102 NZ LYS A 7 7.882 -41.247 90.887 1.00 52.34 N ATOM 0 H LYS A 7 14.242 -37.693 91.049 1.00 40.35 H new ATOM 0 HA LYS A 7 11.645 -37.875 89.675 1.00 44.41 H new ATOM 0 HB2 LYS A 7 12.279 -40.167 90.385 1.00 3.31 H new ATOM 0 HB3 LYS A 7 12.453 -39.596 92.033 1.00 3.31 H new ATOM 0 HG2 LYS A 7 10.049 -38.939 92.052 1.00 44.24 H new ATOM 0 HG3 LYS A 7 9.879 -39.530 90.411 1.00 44.24 H new ATOM 0 HD2 LYS A 7 10.532 -41.806 91.154 1.00 74.34 H new ATOM 0 HD3 LYS A 7 10.732 -41.220 92.794 1.00 74.34 H new ATOM 0 HE2 LYS A 7 8.555 -42.272 92.612 1.00 70.51 H new ATOM 0 HE3 LYS A 7 8.325 -40.549 92.835 1.00 70.51 H new ATOM 0 HZ1 LYS A 7 6.915 -41.574 91.085 1.00 52.34 H new ATOM 0 HZ2 LYS A 7 7.851 -40.269 90.536 1.00 52.34 H new ATOM 0 HZ3 LYS A 7 8.314 -41.860 90.167 1.00 52.34 H new ATOM 116 N PHE A 8 11.436 -35.807 91.097 1.00 43.42 N ATOM 117 CA PHE A 8 11.008 -34.710 91.945 1.00 15.14 C ATOM 118 C PHE A 8 9.530 -34.425 91.725 1.00 4.32 C ATOM 119 O PHE A 8 9.100 -34.104 90.614 1.00 61.23 O ATOM 120 CB PHE A 8 11.858 -33.454 91.689 1.00 54.43 C ATOM 121 CG PHE A 8 11.471 -32.267 92.534 1.00 13.31 C ATOM 122 CD1 PHE A 8 11.641 -32.291 93.910 1.00 25.21 C ATOM 123 CD2 PHE A 8 10.931 -31.131 91.952 1.00 51.11 C ATOM 124 CE1 PHE A 8 11.278 -31.206 94.684 1.00 31.43 C ATOM 125 CE2 PHE A 8 10.570 -30.046 92.721 1.00 44.33 C ATOM 126 CZ PHE A 8 10.742 -30.083 94.088 1.00 23.31 C ATOM 0 H PHE A 8 11.374 -35.614 90.097 1.00 43.42 H new ATOM 0 HA PHE A 8 11.152 -34.998 92.986 1.00 15.14 H new ATOM 0 HB2 PHE A 8 12.905 -33.693 91.875 1.00 54.43 H new ATOM 0 HB3 PHE A 8 11.775 -33.180 90.637 1.00 54.43 H new ATOM 0 HD1 PHE A 8 12.062 -33.167 94.381 1.00 25.21 H new ATOM 0 HD2 PHE A 8 10.791 -31.096 90.882 1.00 51.11 H new ATOM 0 HE1 PHE A 8 11.414 -31.237 95.755 1.00 31.43 H new ATOM 0 HE2 PHE A 8 10.152 -29.167 92.253 1.00 44.33 H new ATOM 0 HZ PHE A 8 10.458 -29.234 94.692 1.00 23.31 H new ATOM 136 N ASN A 9 8.766 -34.568 92.798 1.00 21.13 N ATOM 137 CA ASN A 9 7.340 -34.269 92.801 1.00 5.45 C ATOM 138 C ASN A 9 7.052 -33.167 93.814 1.00 30.05 C ATOM 139 O ASN A 9 7.761 -33.043 94.818 1.00 1.11 O ATOM 140 CB ASN A 9 6.526 -35.527 93.132 1.00 24.22 C ATOM 141 CG ASN A 9 6.501 -36.543 92.003 1.00 74.23 C ATOM 142 OD1 ASN A 9 7.377 -37.405 91.899 1.00 31.31 O ATOM 143 ND2 ASN A 9 5.483 -36.461 91.162 1.00 40.34 N ATOM 0 H ASN A 9 9.119 -34.897 93.697 1.00 21.13 H new ATOM 0 HA ASN A 9 7.047 -33.928 91.808 1.00 5.45 H new ATOM 0 HB2 ASN A 9 6.942 -35.996 94.024 1.00 24.22 H new ATOM 0 HB3 ASN A 9 5.503 -35.236 93.372 1.00 24.22 H new ATOM 0 HD21 ASN A 9 5.402 -37.126 90.393 1.00 40.34 H new ATOM 0 HD22 ASN A 9 4.779 -35.733 91.283 1.00 40.34 H new ATOM 150 N THR A 10 6.027 -32.368 93.559 1.00 2.04 N ATOM 151 CA THR A 10 5.720 -31.238 94.422 1.00 72.13 C ATOM 152 C THR A 10 4.314 -31.382 95.036 1.00 63.31 C ATOM 153 O THR A 10 3.440 -32.038 94.463 1.00 55.44 O ATOM 154 CB THR A 10 5.888 -29.885 93.655 1.00 61.02 C ATOM 155 OG1 THR A 10 5.760 -28.771 94.551 1.00 65.11 O ATOM 156 CG2 THR A 10 4.887 -29.735 92.507 1.00 22.01 C ATOM 0 H THR A 10 5.396 -32.480 92.765 1.00 2.04 H new ATOM 0 HA THR A 10 6.434 -31.232 95.246 1.00 72.13 H new ATOM 0 HB THR A 10 6.890 -29.896 93.226 1.00 61.02 H new ATOM 0 HG1 THR A 10 5.870 -27.935 94.051 1.00 65.11 H new ATOM 0 HG21 THR A 10 5.046 -28.779 92.008 1.00 22.01 H new ATOM 0 HG22 THR A 10 5.029 -30.546 91.792 1.00 22.01 H new ATOM 0 HG23 THR A 10 3.872 -29.773 92.902 1.00 22.01 H new ATOM 164 N TRP A 11 4.126 -30.802 96.216 1.00 22.22 N ATOM 165 CA TRP A 11 2.854 -30.870 96.935 1.00 11.51 C ATOM 166 C TRP A 11 2.249 -29.478 97.102 1.00 3.11 C ATOM 167 O TRP A 11 2.761 -28.653 97.870 1.00 24.32 O ATOM 168 CB TRP A 11 3.050 -31.520 98.312 1.00 24.30 C ATOM 169 CG TRP A 11 3.251 -33.007 98.273 1.00 64.24 C ATOM 170 CD1 TRP A 11 4.408 -33.696 98.504 1.00 41.51 C ATOM 171 CD2 TRP A 11 2.253 -33.988 97.988 1.00 52.44 C ATOM 172 NE1 TRP A 11 4.182 -35.048 98.391 1.00 52.54 N ATOM 173 CE2 TRP A 11 2.866 -35.250 98.069 1.00 63.34 C ATOM 174 CE3 TRP A 11 0.903 -33.917 97.666 1.00 73.44 C ATOM 175 CZ2 TRP A 11 2.161 -36.432 97.852 1.00 44.25 C ATOM 176 CZ3 TRP A 11 0.208 -35.081 97.447 1.00 71.20 C ATOM 177 CH2 TRP A 11 0.835 -36.328 97.539 1.00 21.44 C ATOM 0 H TRP A 11 4.848 -30.271 96.703 1.00 22.22 H new ATOM 0 HA TRP A 11 2.168 -31.480 96.348 1.00 11.51 H new ATOM 0 HB2 TRP A 11 3.912 -31.062 98.797 1.00 24.30 H new ATOM 0 HB3 TRP A 11 2.181 -31.299 98.931 1.00 24.30 H new ATOM 0 HD1 TRP A 11 5.360 -33.245 98.741 1.00 41.51 H new ATOM 0 HE1 TRP A 11 4.880 -35.780 98.525 1.00 52.54 H new ATOM 0 HE3 TRP A 11 0.408 -32.960 97.589 1.00 73.44 H new ATOM 0 HZ2 TRP A 11 2.645 -37.395 97.928 1.00 44.25 H new ATOM 0 HZ3 TRP A 11 -0.842 -35.033 97.199 1.00 71.20 H new ATOM 0 HH2 TRP A 11 0.261 -37.225 97.359 1.00 21.44 H new ATOM 188 N ASN A 12 1.181 -29.209 96.356 1.00 3.45 N ATOM 189 CA ASN A 12 0.418 -27.972 96.513 1.00 74.13 C ATOM 190 C ASN A 12 -1.075 -28.228 96.297 1.00 54.12 C ATOM 191 O ASN A 12 -1.460 -29.059 95.470 1.00 21.35 O ATOM 192 CB ASN A 12 0.906 -26.841 95.574 1.00 23.44 C ATOM 193 CG ASN A 12 0.712 -27.095 94.077 1.00 61.44 C ATOM 194 OD1 ASN A 12 0.895 -28.204 93.572 1.00 75.32 O ATOM 195 ND2 ASN A 12 0.309 -26.054 93.360 1.00 64.44 N ATOM 0 H ASN A 12 0.822 -29.833 95.634 1.00 3.45 H new ATOM 0 HA ASN A 12 0.584 -27.633 97.536 1.00 74.13 H new ATOM 0 HB2 ASN A 12 0.383 -25.922 95.839 1.00 23.44 H new ATOM 0 HB3 ASN A 12 1.966 -26.670 95.761 1.00 23.44 H new ATOM 0 HD21 ASN A 12 0.141 -26.158 92.359 1.00 64.44 H new ATOM 0 HD22 ASN A 12 0.167 -25.149 93.809 1.00 64.44 H new ATOM 202 N ASP A 13 -1.904 -27.532 97.063 1.00 64.11 N ATOM 203 CA ASP A 13 -3.357 -27.658 96.949 1.00 0.21 C ATOM 204 C ASP A 13 -3.999 -26.292 96.729 1.00 42.25 C ATOM 205 O ASP A 13 -3.310 -25.263 96.736 1.00 35.34 O ATOM 206 CB ASP A 13 -3.949 -28.345 98.197 1.00 14.12 C ATOM 207 CG ASP A 13 -3.761 -27.551 99.484 1.00 41.24 C ATOM 208 OD1 ASP A 13 -2.684 -27.660 100.107 1.00 41.22 O ATOM 209 OD2 ASP A 13 -4.694 -26.827 99.886 1.00 54.24 O ATOM 0 H ASP A 13 -1.596 -26.870 97.775 1.00 64.11 H new ATOM 0 HA ASP A 13 -3.577 -28.283 96.084 1.00 0.21 H new ATOM 0 HB2 ASP A 13 -5.014 -28.513 98.037 1.00 14.12 H new ATOM 0 HB3 ASP A 13 -3.486 -29.325 98.315 1.00 14.12 H new ATOM 214 N SER A 14 -5.312 -26.289 96.513 1.00 31.01 N ATOM 215 CA SER A 14 -6.060 -25.058 96.295 1.00 62.15 C ATOM 216 C SER A 14 -7.392 -25.089 97.042 1.00 74.43 C ATOM 217 O SER A 14 -8.090 -26.111 97.047 1.00 53.24 O ATOM 218 CB SER A 14 -6.308 -24.843 94.796 1.00 40.33 C ATOM 219 OG SER A 14 -5.090 -24.789 94.064 1.00 52.21 O ATOM 0 H SER A 14 -5.882 -27.134 96.485 1.00 31.01 H new ATOM 0 HA SER A 14 -5.466 -24.230 96.681 1.00 62.15 H new ATOM 0 HB2 SER A 14 -6.929 -25.652 94.410 1.00 40.33 H new ATOM 0 HB3 SER A 14 -6.863 -23.917 94.648 1.00 40.33 H new ATOM 0 HG SER A 14 -5.285 -24.653 93.113 1.00 52.21 H new ATOM 225 N ARG A 15 -7.721 -23.972 97.686 1.00 53.52 N ATOM 226 CA ARG A 15 -9.009 -23.795 98.354 1.00 41.42 C ATOM 227 C ARG A 15 -9.378 -22.310 98.384 1.00 60.12 C ATOM 228 O ARG A 15 -8.496 -21.446 98.338 1.00 41.23 O ATOM 229 CB ARG A 15 -8.993 -24.385 99.779 1.00 12.40 C ATOM 230 CG ARG A 15 -7.942 -23.792 100.705 1.00 40.20 C ATOM 231 CD ARG A 15 -8.108 -24.305 102.125 1.00 1.40 C ATOM 232 NE ARG A 15 -7.204 -23.635 103.061 1.00 64.21 N ATOM 233 CZ ARG A 15 -7.602 -22.847 104.073 1.00 42.04 C ATOM 234 NH1 ARG A 15 -8.895 -22.576 104.253 1.00 64.23 N ATOM 235 NH2 ARG A 15 -6.699 -22.316 104.883 1.00 22.12 N ATOM 0 H ARG A 15 -7.103 -23.164 97.760 1.00 53.52 H new ATOM 0 HA ARG A 15 -9.766 -24.338 97.788 1.00 41.42 H new ATOM 0 HB2 ARG A 15 -9.976 -24.240 100.228 1.00 12.40 H new ATOM 0 HB3 ARG A 15 -8.830 -25.461 99.710 1.00 12.40 H new ATOM 0 HG2 ARG A 15 -6.947 -24.044 100.339 1.00 40.20 H new ATOM 0 HG3 ARG A 15 -8.019 -22.705 100.697 1.00 40.20 H new ATOM 0 HD2 ARG A 15 -9.139 -24.155 102.446 1.00 1.40 H new ATOM 0 HD3 ARG A 15 -7.921 -25.379 102.146 1.00 1.40 H new ATOM 0 HE ARG A 15 -6.202 -23.776 102.936 1.00 64.21 H new ATOM 0 HH11 ARG A 15 -9.591 -22.968 103.619 1.00 64.23 H new ATOM 0 HH12 ARG A 15 -9.188 -21.976 105.024 1.00 64.23 H new ATOM 0 HH21 ARG A 15 -5.708 -22.506 104.736 1.00 22.12 H new ATOM 0 HH22 ARG A 15 -6.995 -21.717 105.653 1.00 22.12 H new ATOM 249 N GLY A 16 -10.675 -22.019 98.445 1.00 31.13 N ATOM 250 CA GLY A 16 -11.121 -20.640 98.468 1.00 60.21 C ATOM 251 C GLY A 16 -12.471 -20.453 97.819 1.00 4.35 C ATOM 252 O GLY A 16 -12.574 -20.406 96.595 1.00 1.51 O ATOM 0 H GLY A 16 -11.422 -22.713 98.479 1.00 31.13 H new ATOM 0 HA2 GLY A 16 -11.168 -20.295 99.501 1.00 60.21 H new ATOM 0 HA3 GLY A 16 -10.387 -20.017 97.957 1.00 60.21 H new ATOM 256 N ASN A 17 -13.506 -20.349 98.641 1.00 41.13 N ATOM 257 CA ASN A 17 -14.861 -20.151 98.142 1.00 64.03 C ATOM 258 C ASN A 17 -15.459 -18.910 98.791 1.00 44.43 C ATOM 259 O ASN A 17 -15.840 -18.920 99.966 1.00 62.42 O ATOM 260 CB ASN A 17 -15.716 -21.393 98.410 1.00 2.55 C ATOM 261 CG ASN A 17 -17.006 -21.421 97.604 1.00 15.41 C ATOM 262 OD1 ASN A 17 -17.097 -20.832 96.526 1.00 63.34 O ATOM 263 ND2 ASN A 17 -18.003 -22.131 98.107 1.00 21.14 N ATOM 0 H ASN A 17 -13.434 -20.398 99.657 1.00 41.13 H new ATOM 0 HA ASN A 17 -14.837 -20.000 97.063 1.00 64.03 H new ATOM 0 HB2 ASN A 17 -15.132 -22.284 98.179 1.00 2.55 H new ATOM 0 HB3 ASN A 17 -15.958 -21.437 99.472 1.00 2.55 H new ATOM 0 HD21 ASN A 17 -18.884 -22.204 97.599 1.00 21.14 H new ATOM 0 HD22 ASN A 17 -17.890 -22.605 99.003 1.00 21.14 H new ATOM 270 N TYR A 18 -15.509 -17.839 98.014 1.00 31.44 N ATOM 271 CA TYR A 18 -15.829 -16.507 98.522 1.00 12.20 C ATOM 272 C TYR A 18 -17.229 -16.068 98.074 1.00 22.14 C ATOM 273 O TYR A 18 -17.932 -16.817 97.395 1.00 11.12 O ATOM 274 CB TYR A 18 -14.771 -15.506 98.025 1.00 35.25 C ATOM 275 CG TYR A 18 -13.335 -15.926 98.297 1.00 43.12 C ATOM 276 CD1 TYR A 18 -12.779 -15.806 99.564 1.00 31.04 C ATOM 277 CD2 TYR A 18 -12.538 -16.446 97.281 1.00 15.34 C ATOM 278 CE1 TYR A 18 -11.477 -16.192 99.814 1.00 21.23 C ATOM 279 CE2 TYR A 18 -11.234 -16.832 97.523 1.00 15.20 C ATOM 280 CZ TYR A 18 -10.708 -16.702 98.792 1.00 63.12 C ATOM 281 OH TYR A 18 -9.410 -17.090 99.036 1.00 32.31 O ATOM 0 H TYR A 18 -15.329 -17.865 97.010 1.00 31.44 H new ATOM 0 HA TYR A 18 -15.822 -16.535 99.612 1.00 12.20 H new ATOM 0 HB2 TYR A 18 -14.898 -15.364 96.952 1.00 35.25 H new ATOM 0 HB3 TYR A 18 -14.951 -14.541 98.498 1.00 35.25 H new ATOM 0 HD1 TYR A 18 -13.376 -15.403 100.369 1.00 31.04 H new ATOM 0 HD2 TYR A 18 -12.946 -16.549 96.286 1.00 15.34 H new ATOM 0 HE1 TYR A 18 -11.064 -16.094 100.807 1.00 21.23 H new ATOM 0 HE2 TYR A 18 -10.629 -17.233 96.723 1.00 15.20 H new ATOM 0 HH TYR A 18 -9.009 -17.428 98.208 1.00 32.31 H new ATOM 291 N TRP A 19 -17.629 -14.856 98.472 1.00 63.33 N ATOM 292 CA TRP A 19 -18.923 -14.288 98.077 1.00 35.14 C ATOM 293 C TRP A 19 -18.731 -13.055 97.191 1.00 1.43 C ATOM 294 O TRP A 19 -17.677 -12.411 97.230 1.00 10.40 O ATOM 295 CB TRP A 19 -19.755 -13.896 99.307 1.00 4.15 C ATOM 296 CG TRP A 19 -20.250 -15.045 100.139 1.00 52.32 C ATOM 297 CD1 TRP A 19 -19.555 -15.731 101.092 1.00 13.25 C ATOM 298 CD2 TRP A 19 -21.564 -15.618 100.114 1.00 14.10 C ATOM 299 NE1 TRP A 19 -20.348 -16.702 101.649 1.00 21.21 N ATOM 300 CE2 TRP A 19 -21.584 -16.653 101.070 1.00 24.30 C ATOM 301 CE3 TRP A 19 -22.725 -15.364 99.374 1.00 32.53 C ATOM 302 CZ2 TRP A 19 -22.718 -17.426 101.305 1.00 24.13 C ATOM 303 CZ3 TRP A 19 -23.849 -16.130 99.609 1.00 2.41 C ATOM 304 CH2 TRP A 19 -23.839 -17.150 100.569 1.00 72.14 C ATOM 0 H TRP A 19 -17.072 -14.246 99.071 1.00 63.33 H new ATOM 0 HA TRP A 19 -19.454 -15.057 97.516 1.00 35.14 H new ATOM 0 HB2 TRP A 19 -19.153 -13.243 99.939 1.00 4.15 H new ATOM 0 HB3 TRP A 19 -20.614 -13.313 98.974 1.00 4.15 H new ATOM 0 HD1 TRP A 19 -18.529 -15.538 101.368 1.00 13.25 H new ATOM 0 HE1 TRP A 19 -20.061 -17.355 102.378 1.00 21.21 H new ATOM 0 HE3 TRP A 19 -22.741 -14.581 98.631 1.00 32.53 H new ATOM 0 HZ2 TRP A 19 -22.713 -18.216 102.042 1.00 24.13 H new ATOM 0 HZ3 TRP A 19 -24.750 -15.940 99.044 1.00 2.41 H new ATOM 0 HH2 TRP A 19 -24.735 -17.731 100.732 1.00 72.14 H new ATOM 315 N SER A 20 -19.758 -12.737 96.397 1.00 54.14 N ATOM 316 CA SER A 20 -19.764 -11.541 95.547 1.00 33.51 C ATOM 317 C SER A 20 -21.208 -11.054 95.307 1.00 21.03 C ATOM 318 O SER A 20 -21.562 -10.597 94.212 1.00 21.12 O ATOM 319 CB SER A 20 -19.063 -11.842 94.208 1.00 55.01 C ATOM 320 OG SER A 20 -19.631 -12.969 93.555 1.00 52.24 O ATOM 0 H SER A 20 -20.606 -13.299 96.325 1.00 54.14 H new ATOM 0 HA SER A 20 -19.218 -10.746 96.056 1.00 33.51 H new ATOM 0 HB2 SER A 20 -19.134 -10.971 93.557 1.00 55.01 H new ATOM 0 HB3 SER A 20 -18.003 -12.021 94.385 1.00 55.01 H new ATOM 0 HG SER A 20 -19.162 -13.128 92.709 1.00 52.24 H new ATOM 326 N ASP A 21 -22.030 -11.117 96.354 1.00 22.22 N ATOM 327 CA ASP A 21 -23.467 -10.857 96.235 1.00 54.53 C ATOM 328 C ASP A 21 -23.834 -9.396 96.567 1.00 74.40 C ATOM 329 O ASP A 21 -22.943 -8.549 96.707 1.00 43.31 O ATOM 330 CB ASP A 21 -24.253 -11.836 97.130 1.00 72.15 C ATOM 331 CG ASP A 21 -23.991 -11.649 98.619 1.00 64.44 C ATOM 332 OD1 ASP A 21 -22.938 -12.097 99.109 1.00 43.24 O ATOM 333 OD2 ASP A 21 -24.849 -11.058 99.304 1.00 30.33 O ATOM 0 H ASP A 21 -21.725 -11.347 97.300 1.00 22.22 H new ATOM 0 HA ASP A 21 -23.744 -11.017 95.193 1.00 54.53 H new ATOM 0 HB2 ASP A 21 -25.319 -11.713 96.939 1.00 72.15 H new ATOM 0 HB3 ASP A 21 -23.995 -12.857 96.850 1.00 72.15 H new ATOM 338 N TYR A 22 -25.163 -9.141 96.666 1.00 21.01 N ATOM 339 CA TYR A 22 -25.775 -7.819 96.951 1.00 24.34 C ATOM 340 C TYR A 22 -25.694 -6.910 95.727 1.00 42.32 C ATOM 341 O TYR A 22 -24.644 -6.347 95.402 1.00 45.43 O ATOM 342 CB TYR A 22 -25.183 -7.147 98.214 1.00 53.52 C ATOM 343 CG TYR A 22 -25.933 -5.918 98.693 1.00 11.31 C ATOM 344 CD1 TYR A 22 -27.179 -6.030 99.297 1.00 60.22 C ATOM 345 CD2 TYR A 22 -25.388 -4.648 98.558 1.00 72.35 C ATOM 346 CE1 TYR A 22 -27.865 -4.914 99.739 1.00 51.42 C ATOM 347 CE2 TYR A 22 -26.070 -3.525 98.998 1.00 62.01 C ATOM 348 CZ TYR A 22 -27.303 -3.664 99.592 1.00 11.11 C ATOM 349 OH TYR A 22 -27.986 -2.547 100.027 1.00 11.40 O ATOM 0 H TYR A 22 -25.861 -9.875 96.546 1.00 21.01 H new ATOM 0 HA TYR A 22 -26.828 -7.991 97.172 1.00 24.34 H new ATOM 0 HB2 TYR A 22 -25.161 -7.879 99.021 1.00 53.52 H new ATOM 0 HB3 TYR A 22 -24.150 -6.867 98.009 1.00 53.52 H new ATOM 0 HD1 TYR A 22 -27.620 -7.008 99.424 1.00 60.22 H new ATOM 0 HD2 TYR A 22 -24.416 -4.534 98.102 1.00 72.35 H new ATOM 0 HE1 TYR A 22 -28.837 -5.021 100.197 1.00 51.42 H new ATOM 0 HE2 TYR A 22 -25.635 -2.544 98.875 1.00 62.01 H new ATOM 0 HH TYR A 22 -27.450 -1.746 99.850 1.00 11.40 H new ATOM 848 N PRO A 59 -20.334 -1.984 15.822 1.00 24.23 N ATOM 849 CA PRO A 59 -19.302 -2.775 15.165 1.00 4.40 C ATOM 850 C PRO A 59 -18.140 -1.885 14.712 1.00 0.42 C ATOM 851 O PRO A 59 -18.311 -0.673 14.528 1.00 53.42 O ATOM 852 CB PRO A 59 -20.011 -3.419 13.972 1.00 41.12 C ATOM 853 CG PRO A 59 -21.326 -2.711 13.808 1.00 63.51 C ATOM 854 CD PRO A 59 -21.410 -1.636 14.865 1.00 22.31 C ATOM 0 HA PRO A 59 -18.863 -3.521 15.828 1.00 4.40 H new ATOM 0 HB2 PRO A 59 -19.408 -3.326 13.069 1.00 41.12 H new ATOM 0 HB3 PRO A 59 -20.165 -4.484 14.144 1.00 41.12 H new ATOM 0 HG2 PRO A 59 -21.402 -2.274 12.812 1.00 63.51 H new ATOM 0 HG3 PRO A 59 -22.153 -3.413 13.912 1.00 63.51 H new ATOM 0 HD2 PRO A 59 -21.258 -0.645 14.438 1.00 22.31 H new ATOM 0 HD3 PRO A 59 -22.387 -1.628 15.349 1.00 22.31 H new ATOM 862 N VAL A 60 -16.968 -2.470 14.534 1.00 52.45 N ATOM 863 CA VAL A 60 -15.779 -1.679 14.268 1.00 53.41 C ATOM 864 C VAL A 60 -15.454 -1.616 12.772 1.00 41.45 C ATOM 865 O VAL A 60 -15.429 -2.628 12.064 1.00 33.24 O ATOM 866 CB VAL A 60 -14.572 -2.158 15.135 1.00 64.11 C ATOM 867 CG1 VAL A 60 -14.160 -3.594 14.830 1.00 30.10 C ATOM 868 CG2 VAL A 60 -13.388 -1.208 15.014 1.00 32.25 C ATOM 0 H VAL A 60 -16.815 -3.478 14.568 1.00 52.45 H new ATOM 0 HA VAL A 60 -15.990 -0.653 14.569 1.00 53.41 H new ATOM 0 HB VAL A 60 -14.913 -2.144 16.170 1.00 64.11 H new ATOM 0 HG11 VAL A 60 -13.317 -3.873 15.462 1.00 30.10 H new ATOM 0 HG12 VAL A 60 -14.998 -4.263 15.027 1.00 30.10 H new ATOM 0 HG13 VAL A 60 -13.870 -3.675 13.782 1.00 30.10 H new ATOM 0 HG21 VAL A 60 -12.566 -1.571 15.630 1.00 32.25 H new ATOM 0 HG22 VAL A 60 -13.067 -1.157 13.974 1.00 32.25 H new ATOM 0 HG23 VAL A 60 -13.683 -0.214 15.352 1.00 32.25 H new ATOM 878 N LEU A 61 -15.267 -0.387 12.298 1.00 75.23 N ATOM 879 CA LEU A 61 -14.903 -0.107 10.914 1.00 52.32 C ATOM 880 C LEU A 61 -13.401 -0.382 10.684 1.00 45.12 C ATOM 881 O LEU A 61 -12.612 -0.322 11.634 1.00 44.24 O ATOM 882 CB LEU A 61 -15.327 1.341 10.468 1.00 21.45 C ATOM 883 CG LEU A 61 -15.159 2.574 11.418 1.00 3.20 C ATOM 884 CD1 LEU A 61 -16.185 2.588 12.548 1.00 4.22 C ATOM 885 CD2 LEU A 61 -13.751 2.710 11.982 1.00 34.24 C ATOM 0 H LEU A 61 -15.365 0.451 12.871 1.00 75.23 H new ATOM 0 HA LEU A 61 -15.464 -0.788 10.274 1.00 52.32 H new ATOM 0 HB2 LEU A 61 -14.773 1.566 9.557 1.00 21.45 H new ATOM 0 HB3 LEU A 61 -16.381 1.292 10.196 1.00 21.45 H new ATOM 0 HG LEU A 61 -15.342 3.441 10.784 1.00 3.20 H new ATOM 0 HD11 LEU A 61 -16.023 3.464 13.176 1.00 4.22 H new ATOM 0 HD12 LEU A 61 -17.190 2.625 12.127 1.00 4.22 H new ATOM 0 HD13 LEU A 61 -16.076 1.685 13.149 1.00 4.22 H new ATOM 0 HD21 LEU A 61 -13.702 3.584 12.632 1.00 34.24 H new ATOM 0 HD22 LEU A 61 -13.501 1.817 12.555 1.00 34.24 H new ATOM 0 HD23 LEU A 61 -13.041 2.827 11.163 1.00 34.24 H new ATOM 897 N PRO A 62 -12.976 -0.715 9.439 1.00 2.44 N ATOM 898 CA PRO A 62 -11.597 -1.136 9.163 1.00 43.32 C ATOM 899 C PRO A 62 -10.593 0.010 9.093 1.00 63.11 C ATOM 900 O PRO A 62 -10.948 1.192 9.075 1.00 2.12 O ATOM 901 CB PRO A 62 -11.705 -1.801 7.792 1.00 42.32 C ATOM 902 CG PRO A 62 -12.798 -1.058 7.119 1.00 52.45 C ATOM 903 CD PRO A 62 -13.790 -0.727 8.201 1.00 72.30 C ATOM 0 HA PRO A 62 -11.224 -1.775 9.964 1.00 43.32 H new ATOM 0 HB2 PRO A 62 -10.770 -1.726 7.237 1.00 42.32 H new ATOM 0 HB3 PRO A 62 -11.939 -2.862 7.880 1.00 42.32 H new ATOM 0 HG2 PRO A 62 -12.421 -0.153 6.643 1.00 52.45 H new ATOM 0 HG3 PRO A 62 -13.258 -1.662 6.337 1.00 52.45 H new ATOM 0 HD2 PRO A 62 -14.265 0.238 8.026 1.00 72.30 H new ATOM 0 HD3 PRO A 62 -14.586 -1.469 8.254 1.00 72.30 H new ATOM 911 N THR A 63 -9.335 -0.376 9.088 1.00 13.31 N ATOM 912 CA THR A 63 -8.265 0.512 8.754 1.00 74.14 C ATOM 913 C THR A 63 -7.366 -0.192 7.743 1.00 4.03 C ATOM 914 O THR A 63 -7.168 -1.409 7.829 1.00 41.54 O ATOM 915 CB THR A 63 -7.476 0.984 10.022 1.00 11.15 C ATOM 916 OG1 THR A 63 -6.903 2.277 9.785 1.00 22.24 O ATOM 917 CG2 THR A 63 -6.354 0.037 10.452 1.00 51.14 C ATOM 0 H THR A 63 -9.034 -1.323 9.318 1.00 13.31 H new ATOM 0 HA THR A 63 -8.667 1.423 8.311 1.00 74.14 H new ATOM 0 HB THR A 63 -8.208 1.006 10.829 1.00 11.15 H new ATOM 0 HG1 THR A 63 -6.412 2.568 10.582 1.00 22.24 H new ATOM 0 HG21 THR A 63 -5.859 0.438 11.336 1.00 51.14 H new ATOM 0 HG22 THR A 63 -6.773 -0.942 10.683 1.00 51.14 H new ATOM 0 HG23 THR A 63 -5.630 -0.060 9.643 1.00 51.14 H new ATOM 925 N ALA A 64 -6.924 0.541 6.739 1.00 52.32 N ATOM 926 CA ALA A 64 -5.912 0.045 5.838 1.00 71.34 C ATOM 927 C ALA A 64 -4.580 0.575 6.307 1.00 11.43 C ATOM 928 O ALA A 64 -4.443 1.773 6.558 1.00 72.14 O ATOM 929 CB ALA A 64 -6.186 0.464 4.409 1.00 41.01 C ATOM 0 H ALA A 64 -7.253 1.484 6.530 1.00 52.32 H new ATOM 0 HA ALA A 64 -5.913 -1.045 5.847 1.00 71.34 H new ATOM 0 HB1 ALA A 64 -5.404 0.073 3.759 1.00 41.01 H new ATOM 0 HB2 ALA A 64 -7.152 0.069 4.093 1.00 41.01 H new ATOM 0 HB3 ALA A 64 -6.200 1.552 4.345 1.00 41.01 H new ATOM 935 N ARG A 65 -3.623 -0.313 6.475 1.00 33.05 N ATOM 936 CA ARG A 65 -2.338 0.062 7.013 1.00 53.41 C ATOM 937 C ARG A 65 -1.259 -0.799 6.403 1.00 61.24 C ATOM 938 O ARG A 65 -1.483 -1.975 6.140 1.00 65.24 O ATOM 939 CB ARG A 65 -2.336 -0.097 8.537 1.00 53.21 C ATOM 940 CG ARG A 65 -1.603 1.014 9.266 1.00 4.55 C ATOM 941 CD ARG A 65 -2.239 2.358 8.959 1.00 70.21 C ATOM 942 NE ARG A 65 -1.706 3.443 9.767 1.00 42.52 N ATOM 943 CZ ARG A 65 -2.473 4.270 10.488 1.00 11.20 C ATOM 944 NH1 ARG A 65 -3.801 4.117 10.506 1.00 32.51 N ATOM 945 NH2 ARG A 65 -1.913 5.243 11.182 1.00 14.54 N ATOM 0 H ARG A 65 -3.714 -1.303 6.245 1.00 33.05 H new ATOM 0 HA ARG A 65 -2.143 1.106 6.770 1.00 53.41 H new ATOM 0 HB2 ARG A 65 -3.366 -0.133 8.891 1.00 53.21 H new ATOM 0 HB3 ARG A 65 -1.877 -1.052 8.793 1.00 53.21 H new ATOM 0 HG2 ARG A 65 -1.627 0.830 10.340 1.00 4.55 H new ATOM 0 HG3 ARG A 65 -0.555 1.024 8.967 1.00 4.55 H new ATOM 0 HD2 ARG A 65 -2.089 2.591 7.905 1.00 70.21 H new ATOM 0 HD3 ARG A 65 -3.315 2.289 9.120 1.00 70.21 H new ATOM 0 HE ARG A 65 -0.696 3.581 9.785 1.00 42.52 H new ATOM 0 HH11 ARG A 65 -4.235 3.367 9.968 1.00 32.51 H new ATOM 0 HH12 ARG A 65 -4.380 4.750 11.057 1.00 32.51 H new ATOM 0 HH21 ARG A 65 -0.900 5.362 11.167 1.00 14.54 H new ATOM 0 HH22 ARG A 65 -2.493 5.876 11.733 1.00 14.54 H new ATOM 959 N PHE A 66 -0.116 -0.196 6.149 1.00 43.41 N ATOM 960 CA PHE A 66 1.049 -0.906 5.662 1.00 51.11 C ATOM 961 C PHE A 66 2.290 -0.082 5.960 1.00 11.13 C ATOM 962 O PHE A 66 2.201 1.137 6.125 1.00 11.23 O ATOM 963 CB PHE A 66 0.951 -1.222 4.143 1.00 34.52 C ATOM 964 CG PHE A 66 0.834 -0.024 3.228 1.00 45.03 C ATOM 965 CD1 PHE A 66 -0.394 0.577 2.999 1.00 32.30 C ATOM 966 CD2 PHE A 66 1.952 0.492 2.593 1.00 52.31 C ATOM 967 CE1 PHE A 66 -0.502 1.665 2.161 1.00 41.31 C ATOM 968 CE2 PHE A 66 1.845 1.580 1.755 1.00 1.01 C ATOM 969 CZ PHE A 66 0.617 2.167 1.539 1.00 20.52 C ATOM 0 H PHE A 66 0.032 0.805 6.275 1.00 43.41 H new ATOM 0 HA PHE A 66 1.107 -1.865 6.176 1.00 51.11 H new ATOM 0 HB2 PHE A 66 1.833 -1.793 3.852 1.00 34.52 H new ATOM 0 HB3 PHE A 66 0.087 -1.866 3.980 1.00 34.52 H new ATOM 0 HD1 PHE A 66 -1.277 0.187 3.484 1.00 32.30 H new ATOM 0 HD2 PHE A 66 2.917 0.036 2.757 1.00 52.31 H new ATOM 0 HE1 PHE A 66 -1.465 2.124 1.993 1.00 41.31 H new ATOM 0 HE2 PHE A 66 2.724 1.973 1.267 1.00 1.01 H new ATOM 0 HZ PHE A 66 0.534 3.020 0.882 1.00 20.52 H new ATOM 979 N THR A 67 3.429 -0.736 6.056 1.00 22.24 N ATOM 980 CA THR A 67 4.686 -0.024 6.104 1.00 54.43 C ATOM 981 C THR A 67 5.418 -0.215 4.782 1.00 21.33 C ATOM 982 O THR A 67 5.279 -1.247 4.111 1.00 32.23 O ATOM 983 CB THR A 67 5.583 -0.442 7.311 1.00 21.51 C ATOM 984 OG1 THR A 67 6.720 0.431 7.414 1.00 71.40 O ATOM 985 CG2 THR A 67 6.083 -1.877 7.198 1.00 20.11 C ATOM 0 H THR A 67 3.509 -1.752 6.102 1.00 22.24 H new ATOM 0 HA THR A 67 4.465 1.032 6.256 1.00 54.43 H new ATOM 0 HB THR A 67 4.958 -0.366 8.201 1.00 21.51 H new ATOM 0 HG1 THR A 67 7.302 0.304 6.636 1.00 71.40 H new ATOM 0 HG21 THR A 67 6.702 -2.116 8.063 1.00 20.11 H new ATOM 0 HG22 THR A 67 5.232 -2.557 7.162 1.00 20.11 H new ATOM 0 HG23 THR A 67 6.673 -1.986 6.288 1.00 20.11 H new ATOM 993 N SER A 68 6.142 0.812 4.392 1.00 44.42 N ATOM 994 CA SER A 68 7.022 0.738 3.250 1.00 31.44 C ATOM 995 C SER A 68 8.405 0.303 3.718 1.00 62.22 C ATOM 996 O SER A 68 8.747 0.481 4.893 1.00 42.33 O ATOM 997 CB SER A 68 7.085 2.099 2.567 1.00 12.10 C ATOM 998 OG SER A 68 5.779 2.582 2.299 1.00 24.24 O ATOM 0 H SER A 68 6.136 1.719 4.858 1.00 44.42 H new ATOM 0 HA SER A 68 6.647 0.010 2.531 1.00 31.44 H new ATOM 0 HB2 SER A 68 7.617 2.807 3.202 1.00 12.10 H new ATOM 0 HB3 SER A 68 7.648 2.020 1.637 1.00 12.10 H new ATOM 0 HG SER A 68 5.829 3.517 2.011 1.00 24.24 H new ATOM 1004 N ASP A 69 9.174 -0.299 2.819 1.00 24.34 N ATOM 1005 CA ASP A 69 10.546 -0.678 3.127 1.00 4.13 C ATOM 1006 C ASP A 69 11.433 0.555 3.042 1.00 23.52 C ATOM 1007 O ASP A 69 12.022 0.973 4.040 1.00 63.14 O ATOM 1008 CB ASP A 69 11.035 -1.761 2.167 1.00 21.31 C ATOM 1009 CG ASP A 69 12.334 -2.386 2.608 1.00 25.31 C ATOM 1010 OD1 ASP A 69 12.294 -3.289 3.461 1.00 71.52 O ATOM 1011 OD2 ASP A 69 13.397 -1.996 2.094 1.00 43.14 O ATOM 0 H ASP A 69 8.872 -0.534 1.874 1.00 24.34 H new ATOM 0 HA ASP A 69 10.590 -1.086 4.137 1.00 4.13 H new ATOM 0 HB2 ASP A 69 10.274 -2.536 2.082 1.00 21.31 H new ATOM 0 HB3 ASP A 69 11.163 -1.330 1.174 1.00 21.31 H new ATOM 1016 N ILE A 70 11.525 1.131 1.847 1.00 14.32 N ATOM 1017 CA ILE A 70 12.097 2.456 1.689 1.00 14.50 C ATOM 1018 C ILE A 70 11.025 3.431 1.241 1.00 32.32 C ATOM 1019 O ILE A 70 10.082 3.067 0.529 1.00 11.22 O ATOM 1020 CB ILE A 70 13.341 2.502 0.732 1.00 33.30 C ATOM 1021 CG1 ILE A 70 13.056 1.895 -0.657 1.00 10.20 C ATOM 1022 CG2 ILE A 70 14.535 1.805 1.366 1.00 63.35 C ATOM 1023 CD1 ILE A 70 12.791 2.925 -1.746 1.00 21.53 C ATOM 0 H ILE A 70 11.210 0.699 0.978 1.00 14.32 H new ATOM 0 HA ILE A 70 12.476 2.752 2.667 1.00 14.50 H new ATOM 0 HB ILE A 70 13.571 3.557 0.581 1.00 33.30 H new ATOM 0 HG12 ILE A 70 13.906 1.280 -0.953 1.00 10.20 H new ATOM 0 HG13 ILE A 70 12.194 1.233 -0.582 1.00 10.20 H new ATOM 0 HG21 ILE A 70 15.385 1.849 0.686 1.00 63.35 H new ATOM 0 HG22 ILE A 70 14.792 2.302 2.301 1.00 63.35 H new ATOM 0 HG23 ILE A 70 14.284 0.763 1.566 1.00 63.35 H new ATOM 0 HD11 ILE A 70 12.600 2.415 -2.690 1.00 21.53 H new ATOM 0 HD12 ILE A 70 11.922 3.525 -1.475 1.00 21.53 H new ATOM 0 HD13 ILE A 70 13.661 3.573 -1.853 1.00 21.53 H new ATOM 1035 N THR A 71 11.162 4.650 1.709 1.00 21.13 N ATOM 1036 CA THR A 71 10.277 5.737 1.334 1.00 12.51 C ATOM 1037 C THR A 71 11.102 6.891 0.781 1.00 15.11 C ATOM 1038 O THR A 71 10.575 7.788 0.119 1.00 75.44 O ATOM 1039 CB THR A 71 9.445 6.237 2.538 1.00 44.03 C ATOM 1040 OG1 THR A 71 9.766 5.489 3.723 1.00 13.23 O ATOM 1041 CG2 THR A 71 7.966 6.101 2.254 1.00 34.34 C ATOM 0 H THR A 71 11.894 4.921 2.365 1.00 21.13 H new ATOM 0 HA THR A 71 9.587 5.364 0.577 1.00 12.51 H new ATOM 0 HB THR A 71 9.689 7.287 2.698 1.00 44.03 H new ATOM 0 HG1 THR A 71 9.231 5.821 4.474 1.00 13.23 H new ATOM 0 HG21 THR A 71 7.396 6.458 3.112 1.00 34.34 H new ATOM 0 HG22 THR A 71 7.708 6.693 1.376 1.00 34.34 H new ATOM 0 HG23 THR A 71 7.726 5.054 2.069 1.00 34.34 H new ATOM 1049 N GLU A 72 12.400 6.835 1.063 1.00 75.42 N ATOM 1050 CA GLU A 72 13.334 7.869 0.678 1.00 44.13 C ATOM 1051 C GLU A 72 14.663 7.222 0.304 1.00 60.34 C ATOM 1052 O GLU A 72 14.943 6.085 0.710 1.00 35.15 O ATOM 1053 CB GLU A 72 13.541 8.850 1.843 1.00 24.00 C ATOM 1054 CG GLU A 72 14.024 10.227 1.421 1.00 60.34 C ATOM 1055 CD GLU A 72 12.976 10.976 0.628 1.00 44.12 C ATOM 1056 OE1 GLU A 72 12.116 11.624 1.249 1.00 3.22 O ATOM 1057 OE2 GLU A 72 13.001 10.911 -0.615 1.00 21.40 O ATOM 0 H GLU A 72 12.829 6.061 1.570 1.00 75.42 H new ATOM 0 HA GLU A 72 12.939 8.419 -0.176 1.00 44.13 H new ATOM 0 HB2 GLU A 72 12.601 8.957 2.384 1.00 24.00 H new ATOM 0 HB3 GLU A 72 14.262 8.422 2.539 1.00 24.00 H new ATOM 0 HG2 GLU A 72 14.291 10.805 2.306 1.00 60.34 H new ATOM 0 HG3 GLU A 72 14.929 10.126 0.822 1.00 60.34 H new ATOM 1064 N GLY A 73 15.467 7.943 -0.472 1.00 62.01 N ATOM 1065 CA GLY A 73 16.764 7.450 -0.880 1.00 22.45 C ATOM 1066 C GLY A 73 16.694 6.780 -2.228 1.00 33.00 C ATOM 1067 O GLY A 73 15.635 6.779 -2.863 1.00 21.35 O ATOM 0 H GLY A 73 15.236 8.871 -0.827 1.00 62.01 H new ATOM 0 HA2 GLY A 73 17.474 8.276 -0.918 1.00 22.45 H new ATOM 0 HA3 GLY A 73 17.137 6.743 -0.139 1.00 22.45 H new ATOM 1071 N PHE A 74 17.786 6.145 -2.633 1.00 31.10 N ATOM 1072 CA PHE A 74 17.880 5.559 -3.959 1.00 54.34 C ATOM 1073 C PHE A 74 17.130 4.228 -3.986 1.00 14.31 C ATOM 1074 O PHE A 74 17.085 3.527 -2.979 1.00 74.44 O ATOM 1075 CB PHE A 74 19.353 5.388 -4.399 1.00 22.33 C ATOM 1076 CG PHE A 74 20.210 4.517 -3.500 1.00 63.01 C ATOM 1077 CD1 PHE A 74 20.861 5.056 -2.396 1.00 70.34 C ATOM 1078 CD2 PHE A 74 20.391 3.168 -3.778 1.00 30.23 C ATOM 1079 CE1 PHE A 74 21.647 4.266 -1.583 1.00 2.32 C ATOM 1080 CE2 PHE A 74 21.174 2.375 -2.964 1.00 65.13 C ATOM 1081 CZ PHE A 74 21.810 2.927 -1.872 1.00 32.43 C ATOM 0 H PHE A 74 18.620 6.024 -2.059 1.00 31.10 H new ATOM 0 HA PHE A 74 17.415 6.237 -4.675 1.00 54.34 H new ATOM 0 HB2 PHE A 74 19.366 4.965 -5.404 1.00 22.33 H new ATOM 0 HB3 PHE A 74 19.811 6.375 -4.462 1.00 22.33 H new ATOM 0 HD1 PHE A 74 20.750 6.107 -2.172 1.00 70.34 H new ATOM 0 HD2 PHE A 74 19.912 2.734 -4.643 1.00 30.23 H new ATOM 0 HE1 PHE A 74 22.135 4.696 -0.720 1.00 2.32 H new ATOM 0 HE2 PHE A 74 21.289 1.323 -3.182 1.00 65.13 H new ATOM 0 HZ PHE A 74 22.436 2.311 -1.243 1.00 32.43 H new ATOM 1091 N ALA A 75 16.491 3.931 -5.118 1.00 22.22 N ATOM 1092 CA ALA A 75 15.752 2.679 -5.299 1.00 14.41 C ATOM 1093 C ALA A 75 16.708 1.503 -5.547 1.00 61.35 C ATOM 1094 O ALA A 75 17.328 1.415 -6.610 1.00 4.51 O ATOM 1095 CB ALA A 75 14.760 2.822 -6.445 1.00 45.33 C ATOM 0 H ALA A 75 16.470 4.546 -5.931 1.00 22.22 H new ATOM 0 HA ALA A 75 15.201 2.467 -4.383 1.00 14.41 H new ATOM 0 HB1 ALA A 75 14.215 1.887 -6.573 1.00 45.33 H new ATOM 0 HB2 ALA A 75 14.057 3.624 -6.220 1.00 45.33 H new ATOM 0 HB3 ALA A 75 15.297 3.058 -7.364 1.00 45.33 H new ATOM 1101 N PRO A 76 16.868 0.596 -4.551 1.00 34.21 N ATOM 1102 CA PRO A 76 17.850 -0.483 -4.610 1.00 51.22 C ATOM 1103 C PRO A 76 17.312 -1.850 -5.099 1.00 12.21 C ATOM 1104 O PRO A 76 18.066 -2.628 -5.692 1.00 14.54 O ATOM 1105 CB PRO A 76 18.303 -0.580 -3.146 1.00 53.25 C ATOM 1106 CG PRO A 76 17.229 0.081 -2.314 1.00 0.25 C ATOM 1107 CD PRO A 76 16.162 0.575 -3.260 1.00 34.35 C ATOM 0 HA PRO A 76 18.629 -0.260 -5.339 1.00 51.22 H new ATOM 0 HB2 PRO A 76 18.436 -1.621 -2.850 1.00 53.25 H new ATOM 0 HB3 PRO A 76 19.263 -0.083 -3.004 1.00 53.25 H new ATOM 0 HG2 PRO A 76 16.809 -0.626 -1.598 1.00 0.25 H new ATOM 0 HG3 PRO A 76 17.644 0.908 -1.739 1.00 0.25 H new ATOM 0 HD2 PRO A 76 15.298 -0.089 -3.280 1.00 34.35 H new ATOM 0 HD3 PRO A 76 15.797 1.563 -2.980 1.00 34.35 H new ATOM 1115 N LEU A 77 16.008 -2.096 -4.907 1.00 63.42 N ATOM 1116 CA LEU A 77 15.409 -3.432 -5.062 1.00 30.22 C ATOM 1117 C LEU A 77 13.910 -3.395 -4.740 1.00 52.03 C ATOM 1118 O LEU A 77 13.334 -2.322 -4.540 1.00 14.54 O ATOM 1119 CB LEU A 77 16.106 -4.512 -4.175 1.00 53.51 C ATOM 1120 CG LEU A 77 15.893 -4.420 -2.654 1.00 32.43 C ATOM 1121 CD1 LEU A 77 15.540 -5.787 -2.096 1.00 11.31 C ATOM 1122 CD2 LEU A 77 17.138 -3.901 -1.959 1.00 21.12 C ATOM 0 H LEU A 77 15.338 -1.375 -4.640 1.00 63.42 H new ATOM 0 HA LEU A 77 15.556 -3.715 -6.104 1.00 30.22 H new ATOM 0 HB2 LEU A 77 15.763 -5.492 -4.505 1.00 53.51 H new ATOM 0 HB3 LEU A 77 17.178 -4.468 -4.369 1.00 53.51 H new ATOM 0 HG LEU A 77 15.075 -3.724 -2.470 1.00 32.43 H new ATOM 0 HD11 LEU A 77 15.391 -5.713 -1.019 1.00 11.31 H new ATOM 0 HD12 LEU A 77 14.624 -6.146 -2.565 1.00 11.31 H new ATOM 0 HD13 LEU A 77 16.351 -6.485 -2.303 1.00 11.31 H new ATOM 0 HD21 LEU A 77 16.959 -3.846 -0.885 1.00 21.12 H new ATOM 0 HD22 LEU A 77 17.972 -4.576 -2.154 1.00 21.12 H new ATOM 0 HD23 LEU A 77 17.379 -2.908 -2.338 1.00 21.12 H new ATOM 1134 N SER A 78 13.301 -4.589 -4.753 1.00 34.02 N ATOM 1135 CA SER A 78 11.911 -4.813 -4.343 1.00 21.13 C ATOM 1136 C SER A 78 11.626 -4.265 -2.945 1.00 14.23 C ATOM 1137 O SER A 78 12.269 -4.657 -1.965 1.00 14.41 O ATOM 1138 CB SER A 78 11.608 -6.315 -4.353 1.00 30.02 C ATOM 1139 OG SER A 78 11.977 -6.910 -5.581 1.00 12.31 O ATOM 0 H SER A 78 13.772 -5.442 -5.055 1.00 34.02 H new ATOM 0 HA SER A 78 11.275 -4.284 -5.052 1.00 21.13 H new ATOM 0 HB2 SER A 78 12.143 -6.801 -3.537 1.00 30.02 H new ATOM 0 HB3 SER A 78 10.544 -6.474 -4.176 1.00 30.02 H new ATOM 0 HG SER A 78 11.773 -7.868 -5.555 1.00 12.31 H new ATOM 1145 N VAL A 79 10.689 -3.327 -2.877 1.00 5.25 N ATOM 1146 CA VAL A 79 10.211 -2.803 -1.606 1.00 2.23 C ATOM 1147 C VAL A 79 9.338 -3.847 -0.913 1.00 21.14 C ATOM 1148 O VAL A 79 8.288 -4.246 -1.424 1.00 22.12 O ATOM 1149 CB VAL A 79 9.456 -1.450 -1.802 1.00 51.33 C ATOM 1150 CG1 VAL A 79 8.643 -1.022 -0.579 1.00 54.35 C ATOM 1151 CG2 VAL A 79 10.458 -0.361 -2.136 1.00 54.21 C ATOM 0 H VAL A 79 10.243 -2.912 -3.695 1.00 5.25 H new ATOM 0 HA VAL A 79 11.067 -2.594 -0.964 1.00 2.23 H new ATOM 0 HB VAL A 79 8.748 -1.602 -2.617 1.00 51.33 H new ATOM 0 HG11 VAL A 79 8.146 -0.075 -0.786 1.00 54.35 H new ATOM 0 HG12 VAL A 79 7.895 -1.783 -0.355 1.00 54.35 H new ATOM 0 HG13 VAL A 79 9.308 -0.903 0.277 1.00 54.35 H new ATOM 0 HG21 VAL A 79 9.935 0.585 -2.274 1.00 54.21 H new ATOM 0 HG22 VAL A 79 11.175 -0.264 -1.321 1.00 54.21 H new ATOM 0 HG23 VAL A 79 10.985 -0.621 -3.054 1.00 54.21 H new ATOM 1161 N ARG A 80 9.842 -4.327 0.224 1.00 24.32 N ATOM 1162 CA ARG A 80 9.110 -5.247 1.084 1.00 64.23 C ATOM 1163 C ARG A 80 7.935 -4.529 1.723 1.00 11.44 C ATOM 1164 O ARG A 80 8.104 -3.521 2.416 1.00 34.53 O ATOM 1165 CB ARG A 80 10.013 -5.835 2.184 1.00 70.24 C ATOM 1166 CG ARG A 80 10.912 -6.998 1.754 1.00 14.54 C ATOM 1167 CD ARG A 80 12.133 -6.565 0.952 1.00 31.20 C ATOM 1168 NE ARG A 80 12.970 -5.607 1.680 1.00 23.53 N ATOM 1169 CZ ARG A 80 14.306 -5.668 1.767 1.00 23.11 C ATOM 1170 NH1 ARG A 80 14.977 -6.715 1.297 1.00 54.44 N ATOM 1171 NH2 ARG A 80 14.963 -4.683 2.363 1.00 51.02 N ATOM 0 H ARG A 80 10.770 -4.087 0.572 1.00 24.32 H new ATOM 0 HA ARG A 80 8.752 -6.069 0.464 1.00 64.23 H new ATOM 0 HB2 ARG A 80 10.644 -5.037 2.575 1.00 70.24 H new ATOM 0 HB3 ARG A 80 9.381 -6.173 3.005 1.00 70.24 H new ATOM 0 HG2 ARG A 80 11.244 -7.536 2.642 1.00 14.54 H new ATOM 0 HG3 ARG A 80 10.326 -7.697 1.158 1.00 14.54 H new ATOM 0 HD2 ARG A 80 12.727 -7.443 0.698 1.00 31.20 H new ATOM 0 HD3 ARG A 80 11.807 -6.118 0.013 1.00 31.20 H new ATOM 0 HE ARG A 80 12.501 -4.836 2.156 1.00 23.53 H new ATOM 0 HH11 ARG A 80 14.475 -7.489 0.862 1.00 54.44 H new ATOM 0 HH12 ARG A 80 15.994 -6.744 1.372 1.00 54.44 H new ATOM 0 HH21 ARG A 80 14.452 -3.890 2.749 1.00 51.02 H new ATOM 0 HH22 ARG A 80 15.980 -4.719 2.435 1.00 51.02 H new ATOM 1185 N PHE A 81 6.748 -5.028 1.450 1.00 21.31 N ATOM 1186 CA PHE A 81 5.537 -4.458 2.004 1.00 73.43 C ATOM 1187 C PHE A 81 5.009 -5.338 3.131 1.00 64.44 C ATOM 1188 O PHE A 81 5.027 -6.570 3.038 1.00 70.45 O ATOM 1189 CB PHE A 81 4.473 -4.231 0.904 1.00 51.22 C ATOM 1190 CG PHE A 81 4.127 -5.445 0.063 1.00 24.10 C ATOM 1191 CD1 PHE A 81 4.851 -5.749 -1.083 1.00 12.30 C ATOM 1192 CD2 PHE A 81 3.072 -6.272 0.413 1.00 32.23 C ATOM 1193 CE1 PHE A 81 4.530 -6.852 -1.851 1.00 14.34 C ATOM 1194 CE2 PHE A 81 2.748 -7.372 -0.353 1.00 11.45 C ATOM 1195 CZ PHE A 81 3.478 -7.664 -1.484 1.00 33.40 C ATOM 0 H PHE A 81 6.595 -5.833 0.843 1.00 21.31 H new ATOM 0 HA PHE A 81 5.772 -3.480 2.424 1.00 73.43 H new ATOM 0 HB2 PHE A 81 3.561 -3.867 1.376 1.00 51.22 H new ATOM 0 HB3 PHE A 81 4.825 -3.441 0.241 1.00 51.22 H new ATOM 0 HD1 PHE A 81 5.675 -5.116 -1.377 1.00 12.30 H new ATOM 0 HD2 PHE A 81 2.495 -6.052 1.299 1.00 32.23 H new ATOM 0 HE1 PHE A 81 5.103 -7.078 -2.738 1.00 14.34 H new ATOM 0 HE2 PHE A 81 1.921 -8.005 -0.066 1.00 11.45 H new ATOM 0 HZ PHE A 81 3.227 -8.527 -2.082 1.00 33.40 H new ATOM 1205 N LYS A 82 4.589 -4.702 4.210 1.00 60.11 N ATOM 1206 CA LYS A 82 3.981 -5.406 5.330 1.00 10.04 C ATOM 1207 C LYS A 82 2.628 -4.809 5.629 1.00 41.53 C ATOM 1208 O LYS A 82 2.541 -3.651 6.034 1.00 52.31 O ATOM 1209 CB LYS A 82 4.864 -5.329 6.579 1.00 4.14 C ATOM 1210 CG LYS A 82 6.053 -6.270 6.565 1.00 23.31 C ATOM 1211 CD LYS A 82 5.613 -7.723 6.681 1.00 34.21 C ATOM 1212 CE LYS A 82 6.788 -8.677 6.589 1.00 61.42 C ATOM 1213 NZ LYS A 82 6.383 -10.081 6.840 1.00 22.21 N ATOM 0 H LYS A 82 4.658 -3.692 4.337 1.00 60.11 H new ATOM 0 HA LYS A 82 3.871 -6.455 5.054 1.00 10.04 H new ATOM 0 HB2 LYS A 82 5.226 -4.307 6.690 1.00 4.14 H new ATOM 0 HB3 LYS A 82 4.253 -5.548 7.455 1.00 4.14 H new ATOM 0 HG2 LYS A 82 6.617 -6.132 5.643 1.00 23.31 H new ATOM 0 HG3 LYS A 82 6.723 -6.024 7.389 1.00 23.31 H new ATOM 0 HD2 LYS A 82 5.098 -7.872 7.630 1.00 34.21 H new ATOM 0 HD3 LYS A 82 4.898 -7.950 5.891 1.00 34.21 H new ATOM 0 HE2 LYS A 82 7.240 -8.601 5.600 1.00 61.42 H new ATOM 0 HE3 LYS A 82 7.550 -8.385 7.311 1.00 61.42 H new ATOM 0 HZ1 LYS A 82 7.215 -10.701 6.768 1.00 22.21 H new ATOM 0 HZ2 LYS A 82 5.975 -10.159 7.793 1.00 22.21 H new ATOM 0 HZ3 LYS A 82 5.675 -10.369 6.135 1.00 22.21 H new ATOM 1227 N ASP A 83 1.578 -5.600 5.442 1.00 54.53 N ATOM 1228 CA ASP A 83 0.229 -5.114 5.650 1.00 33.05 C ATOM 1229 C ASP A 83 -0.145 -5.253 7.121 1.00 3.24 C ATOM 1230 O ASP A 83 0.076 -6.288 7.755 1.00 33.42 O ATOM 1231 CB ASP A 83 -0.783 -5.802 4.711 1.00 53.41 C ATOM 1232 CG ASP A 83 -1.104 -7.254 5.042 1.00 32.31 C ATOM 1233 OD1 ASP A 83 -0.188 -8.101 5.042 1.00 32.43 O ATOM 1234 OD2 ASP A 83 -2.294 -7.553 5.260 1.00 23.01 O ATOM 0 H ASP A 83 1.639 -6.575 5.148 1.00 54.53 H new ATOM 0 HA ASP A 83 0.193 -4.056 5.392 1.00 33.05 H new ATOM 0 HB2 ASP A 83 -1.711 -5.231 4.725 1.00 53.41 H new ATOM 0 HB3 ASP A 83 -0.396 -5.757 3.693 1.00 53.41 H new ATOM 1239 N PHE A 84 -0.670 -4.169 7.655 1.00 61.30 N ATOM 1240 CA PHE A 84 -0.937 -4.040 9.084 1.00 23.34 C ATOM 1241 C PHE A 84 -2.387 -3.634 9.316 1.00 3.45 C ATOM 1242 O PHE A 84 -2.736 -3.152 10.396 1.00 72.53 O ATOM 1243 CB PHE A 84 -0.008 -2.992 9.713 1.00 14.32 C ATOM 1244 CG PHE A 84 1.442 -3.391 9.814 1.00 43.31 C ATOM 1245 CD1 PHE A 84 1.811 -4.676 10.187 1.00 70.53 C ATOM 1246 CD2 PHE A 84 2.435 -2.467 9.551 1.00 54.10 C ATOM 1247 CE1 PHE A 84 3.142 -5.029 10.290 1.00 24.14 C ATOM 1248 CE2 PHE A 84 3.764 -2.815 9.659 1.00 73.13 C ATOM 1249 CZ PHE A 84 4.119 -4.095 10.028 1.00 75.05 C ATOM 0 H PHE A 84 -0.927 -3.345 7.112 1.00 61.30 H new ATOM 0 HA PHE A 84 -0.753 -5.007 9.553 1.00 23.34 H new ATOM 0 HB2 PHE A 84 -0.075 -2.074 9.129 1.00 14.32 H new ATOM 0 HB3 PHE A 84 -0.374 -2.760 10.713 1.00 14.32 H new ATOM 0 HD1 PHE A 84 1.047 -5.409 10.399 1.00 70.53 H new ATOM 0 HD2 PHE A 84 2.167 -1.463 9.258 1.00 54.10 H new ATOM 0 HE1 PHE A 84 3.416 -6.034 10.575 1.00 24.14 H new ATOM 0 HE2 PHE A 84 4.530 -2.082 9.454 1.00 73.13 H new ATOM 0 HZ PHE A 84 5.161 -4.365 10.111 1.00 75.05 H new ATOM 1259 N SER A 85 -3.185 -3.781 8.261 1.00 61.13 N ATOM 1260 CA SER A 85 -4.605 -3.457 8.267 1.00 45.23 C ATOM 1261 C SER A 85 -5.374 -4.184 9.371 1.00 43.52 C ATOM 1262 O SER A 85 -5.373 -5.413 9.456 1.00 12.02 O ATOM 1263 CB SER A 85 -5.189 -3.803 6.908 1.00 71.42 C ATOM 1264 OG SER A 85 -4.472 -3.153 5.871 1.00 52.41 O ATOM 0 H SER A 85 -2.855 -4.135 7.363 1.00 61.13 H new ATOM 0 HA SER A 85 -4.706 -2.391 8.471 1.00 45.23 H new ATOM 0 HB2 SER A 85 -5.157 -4.882 6.757 1.00 71.42 H new ATOM 0 HB3 SER A 85 -6.238 -3.507 6.872 1.00 71.42 H new ATOM 0 HG SER A 85 -4.863 -3.390 5.004 1.00 52.41 H new ATOM 1270 N GLU A 86 -6.029 -3.399 10.216 1.00 24.33 N ATOM 1271 CA GLU A 86 -6.759 -3.926 11.351 1.00 43.21 C ATOM 1272 C GLU A 86 -8.249 -3.771 11.098 1.00 33.24 C ATOM 1273 O GLU A 86 -8.655 -2.916 10.305 1.00 74.44 O ATOM 1274 CB GLU A 86 -6.390 -3.182 12.644 1.00 15.11 C ATOM 1275 CG GLU A 86 -4.921 -3.264 13.032 1.00 62.50 C ATOM 1276 CD GLU A 86 -4.475 -4.672 13.374 1.00 51.05 C ATOM 1277 OE1 GLU A 86 -4.692 -5.110 14.523 1.00 15.12 O ATOM 1278 OE2 GLU A 86 -3.896 -5.352 12.503 1.00 2.13 O ATOM 0 H GLU A 86 -6.067 -2.383 10.131 1.00 24.33 H new ATOM 0 HA GLU A 86 -6.497 -4.977 11.471 1.00 43.21 H new ATOM 0 HB2 GLU A 86 -6.664 -2.133 12.533 1.00 15.11 H new ATOM 0 HB3 GLU A 86 -6.990 -3.583 13.461 1.00 15.11 H new ATOM 0 HG2 GLU A 86 -4.313 -2.886 12.211 1.00 62.50 H new ATOM 0 HG3 GLU A 86 -4.740 -2.614 13.888 1.00 62.50 H new ATOM 1285 N ASN A 87 -9.036 -4.626 11.763 1.00 34.43 N ATOM 1286 CA ASN A 87 -10.519 -4.584 11.757 1.00 43.24 C ATOM 1287 C ASN A 87 -11.097 -4.801 10.346 1.00 11.53 C ATOM 1288 O ASN A 87 -12.204 -4.355 10.041 1.00 61.23 O ATOM 1289 CB ASN A 87 -11.008 -3.245 12.334 1.00 65.43 C ATOM 1290 CG ASN A 87 -10.510 -2.992 13.750 1.00 32.13 C ATOM 1291 OD1 ASN A 87 -10.501 -3.883 14.596 1.00 52.11 O ATOM 1292 ND2 ASN A 87 -10.034 -1.780 13.992 1.00 3.43 N ATOM 0 H ASN A 87 -8.661 -5.384 12.334 1.00 34.43 H new ATOM 0 HA ASN A 87 -10.876 -5.402 12.383 1.00 43.24 H new ATOM 0 HB2 ASN A 87 -10.675 -2.433 11.687 1.00 65.43 H new ATOM 0 HB3 ASN A 87 -12.098 -3.230 12.330 1.00 65.43 H new ATOM 0 HD21 ASN A 87 -9.642 -1.559 14.907 1.00 3.43 H new ATOM 0 HD22 ASN A 87 -10.059 -1.067 13.263 1.00 3.43 H new ATOM 1299 N ALA A 88 -10.356 -5.521 9.507 1.00 63.11 N ATOM 1300 CA ALA A 88 -10.679 -5.630 8.096 1.00 54.53 C ATOM 1301 C ALA A 88 -11.022 -7.060 7.731 1.00 73.12 C ATOM 1302 O ALA A 88 -10.554 -8.004 8.368 1.00 2.41 O ATOM 1303 CB ALA A 88 -9.512 -5.133 7.261 1.00 24.43 C ATOM 0 H ALA A 88 -9.523 -6.039 9.787 1.00 63.11 H new ATOM 0 HA ALA A 88 -11.552 -5.012 7.889 1.00 54.53 H new ATOM 0 HB1 ALA A 88 -9.760 -5.217 6.203 1.00 24.43 H new ATOM 0 HB2 ALA A 88 -9.309 -4.090 7.504 1.00 24.43 H new ATOM 0 HB3 ALA A 88 -8.629 -5.735 7.476 1.00 24.43 H new ATOM 1309 N THR A 89 -11.863 -7.205 6.718 1.00 3.42 N ATOM 1310 CA THR A 89 -12.267 -8.510 6.227 1.00 15.04 C ATOM 1311 C THR A 89 -11.363 -8.962 5.074 1.00 13.30 C ATOM 1312 O THR A 89 -10.759 -10.032 5.135 1.00 61.45 O ATOM 1313 CB THR A 89 -13.744 -8.469 5.774 1.00 22.14 C ATOM 1314 OG1 THR A 89 -14.518 -7.808 6.786 1.00 63.53 O ATOM 1315 CG2 THR A 89 -14.309 -9.870 5.550 1.00 74.33 C ATOM 0 H THR A 89 -12.283 -6.423 6.216 1.00 3.42 H new ATOM 0 HA THR A 89 -12.166 -9.233 7.037 1.00 15.04 H new ATOM 0 HB THR A 89 -13.796 -7.931 4.827 1.00 22.14 H new ATOM 0 HG1 THR A 89 -15.458 -7.774 6.509 1.00 63.53 H new ATOM 0 HG21 THR A 89 -15.349 -9.796 5.233 1.00 74.33 H new ATOM 0 HG22 THR A 89 -13.729 -10.377 4.779 1.00 74.33 H new ATOM 0 HG23 THR A 89 -14.252 -10.438 6.479 1.00 74.33 H new ATOM 1323 N SER A 90 -11.246 -8.124 4.046 1.00 64.21 N ATOM 1324 CA SER A 90 -10.471 -8.467 2.856 1.00 3.43 C ATOM 1325 C SER A 90 -9.530 -7.333 2.476 1.00 64.44 C ATOM 1326 O SER A 90 -9.729 -6.187 2.883 1.00 13.12 O ATOM 1327 CB SER A 90 -11.412 -8.792 1.690 1.00 22.11 C ATOM 1328 OG SER A 90 -12.258 -9.887 2.004 1.00 64.41 O ATOM 0 H SER A 90 -11.679 -7.201 4.013 1.00 64.21 H new ATOM 0 HA SER A 90 -9.868 -9.347 3.080 1.00 3.43 H new ATOM 0 HB2 SER A 90 -12.018 -7.917 1.453 1.00 22.11 H new ATOM 0 HB3 SER A 90 -10.826 -9.025 0.801 1.00 22.11 H new ATOM 0 HG SER A 90 -12.849 -10.072 1.244 1.00 64.41 H new ATOM 1334 N ARG A 91 -8.498 -7.668 1.701 1.00 21.11 N ATOM 1335 CA ARG A 91 -7.536 -6.683 1.227 1.00 11.30 C ATOM 1336 C ARG A 91 -7.471 -6.672 -0.298 1.00 40.25 C ATOM 1337 O ARG A 91 -7.756 -7.677 -0.960 1.00 73.14 O ATOM 1338 CB ARG A 91 -6.138 -6.942 1.814 1.00 55.23 C ATOM 1339 CG ARG A 91 -5.555 -8.305 1.474 1.00 44.23 C ATOM 1340 CD ARG A 91 -4.146 -8.477 2.012 1.00 24.31 C ATOM 1341 NE ARG A 91 -3.571 -9.753 1.584 1.00 73.14 N ATOM 1342 CZ ARG A 91 -2.676 -10.466 2.275 1.00 13.13 C ATOM 1343 NH1 ARG A 91 -2.248 -10.068 3.468 1.00 2.34 N ATOM 1344 NH2 ARG A 91 -2.228 -11.606 1.777 1.00 34.53 N ATOM 0 H ARG A 91 -8.310 -8.621 1.389 1.00 21.11 H new ATOM 0 HA ARG A 91 -7.876 -5.705 1.568 1.00 11.30 H new ATOM 0 HB2 ARG A 91 -5.458 -6.170 1.455 1.00 55.23 H new ATOM 0 HB3 ARG A 91 -6.189 -6.843 2.898 1.00 55.23 H new ATOM 0 HG2 ARG A 91 -6.196 -9.085 1.884 1.00 44.23 H new ATOM 0 HG3 ARG A 91 -5.547 -8.435 0.392 1.00 44.23 H new ATOM 0 HD2 ARG A 91 -3.518 -7.657 1.664 1.00 24.31 H new ATOM 0 HD3 ARG A 91 -4.161 -8.428 3.101 1.00 24.31 H new ATOM 0 HE ARG A 91 -3.878 -10.128 0.687 1.00 73.14 H new ATOM 0 HH11 ARG A 91 -2.603 -9.202 3.874 1.00 2.34 H new ATOM 0 HH12 ARG A 91 -1.565 -10.628 3.978 1.00 2.34 H new ATOM 0 HH21 ARG A 91 -2.565 -11.935 0.872 1.00 34.53 H new ATOM 0 HH22 ARG A 91 -1.545 -12.156 2.297 1.00 34.53 H new ATOM 1358 N LEU A 92 -7.099 -5.529 -0.840 1.00 61.31 N ATOM 1359 CA LEU A 92 -7.014 -5.327 -2.273 1.00 74.13 C ATOM 1360 C LEU A 92 -5.756 -4.526 -2.585 1.00 15.03 C ATOM 1361 O LEU A 92 -5.646 -3.359 -2.199 1.00 34.43 O ATOM 1362 CB LEU A 92 -8.272 -4.573 -2.750 1.00 21.13 C ATOM 1363 CG LEU A 92 -8.468 -4.430 -4.264 1.00 32.35 C ATOM 1364 CD1 LEU A 92 -8.822 -5.762 -4.891 1.00 62.10 C ATOM 1365 CD2 LEU A 92 -9.557 -3.414 -4.560 1.00 32.13 C ATOM 0 H LEU A 92 -6.845 -4.707 -0.293 1.00 61.31 H new ATOM 0 HA LEU A 92 -6.961 -6.284 -2.792 1.00 74.13 H new ATOM 0 HB2 LEU A 92 -9.146 -5.081 -2.342 1.00 21.13 H new ATOM 0 HB3 LEU A 92 -8.253 -3.574 -2.315 1.00 21.13 H new ATOM 0 HG LEU A 92 -7.529 -4.083 -4.696 1.00 32.35 H new ATOM 0 HD11 LEU A 92 -8.956 -5.634 -5.965 1.00 62.10 H new ATOM 0 HD12 LEU A 92 -8.019 -6.475 -4.708 1.00 62.10 H new ATOM 0 HD13 LEU A 92 -9.747 -6.136 -4.452 1.00 62.10 H new ATOM 0 HD21 LEU A 92 -9.686 -3.322 -5.638 1.00 32.13 H new ATOM 0 HD22 LEU A 92 -10.493 -3.743 -4.109 1.00 32.13 H new ATOM 0 HD23 LEU A 92 -9.275 -2.447 -4.145 1.00 32.13 H new ATOM 1377 N TRP A 93 -4.793 -5.158 -3.246 1.00 45.35 N ATOM 1378 CA TRP A 93 -3.605 -4.450 -3.694 1.00 2.54 C ATOM 1379 C TRP A 93 -3.838 -3.922 -5.098 1.00 22.11 C ATOM 1380 O TRP A 93 -3.988 -4.689 -6.055 1.00 3.34 O ATOM 1381 CB TRP A 93 -2.364 -5.351 -3.664 1.00 1.32 C ATOM 1382 CG TRP A 93 -1.837 -5.637 -2.284 1.00 24.43 C ATOM 1383 CD1 TRP A 93 -1.965 -6.798 -1.574 1.00 72.13 C ATOM 1384 CD2 TRP A 93 -1.083 -4.746 -1.449 1.00 73.41 C ATOM 1385 NE1 TRP A 93 -1.341 -6.681 -0.356 1.00 12.14 N ATOM 1386 CE2 TRP A 93 -0.798 -5.431 -0.255 1.00 51.03 C ATOM 1387 CE3 TRP A 93 -0.628 -3.431 -1.592 1.00 32.24 C ATOM 1388 CZ2 TRP A 93 -0.069 -4.852 0.781 1.00 61.32 C ATOM 1389 CZ3 TRP A 93 0.094 -2.862 -0.564 1.00 30.14 C ATOM 1390 CH2 TRP A 93 0.361 -3.568 0.611 1.00 3.12 C ATOM 0 H TRP A 93 -4.813 -6.150 -3.481 1.00 45.35 H new ATOM 0 HA TRP A 93 -3.420 -3.620 -3.012 1.00 2.54 H new ATOM 0 HB2 TRP A 93 -2.604 -6.296 -4.151 1.00 1.32 H new ATOM 0 HB3 TRP A 93 -1.575 -4.881 -4.251 1.00 1.32 H new ATOM 0 HD1 TRP A 93 -2.482 -7.680 -1.921 1.00 72.13 H new ATOM 0 HE1 TRP A 93 -1.291 -7.409 0.357 1.00 12.14 H new ATOM 0 HE3 TRP A 93 -0.838 -2.871 -2.491 1.00 32.24 H new ATOM 0 HZ2 TRP A 93 0.148 -5.399 1.686 1.00 61.32 H new ATOM 0 HZ3 TRP A 93 0.460 -1.851 -0.670 1.00 30.14 H new ATOM 0 HH2 TRP A 93 0.919 -3.088 1.401 1.00 3.12 H new ATOM 1401 N MET A 94 -3.899 -2.601 -5.204 1.00 51.21 N ATOM 1402 CA MET A 94 -4.226 -1.949 -6.461 1.00 5.31 C ATOM 1403 C MET A 94 -2.976 -1.396 -7.120 1.00 22.35 C ATOM 1404 O MET A 94 -2.368 -0.445 -6.627 1.00 74.32 O ATOM 1405 CB MET A 94 -5.246 -0.821 -6.252 1.00 23.24 C ATOM 1406 CG MET A 94 -6.585 -1.289 -5.706 1.00 33.14 C ATOM 1407 SD MET A 94 -7.808 0.035 -5.596 1.00 21.15 S ATOM 1408 CE MET A 94 -8.177 0.328 -7.324 1.00 51.31 C ATOM 0 H MET A 94 -3.725 -1.960 -4.430 1.00 51.21 H new ATOM 0 HA MET A 94 -4.669 -2.700 -7.115 1.00 5.31 H new ATOM 0 HB2 MET A 94 -4.823 -0.086 -5.567 1.00 23.24 H new ATOM 0 HB3 MET A 94 -5.411 -0.314 -7.203 1.00 23.24 H new ATOM 0 HG2 MET A 94 -6.974 -2.082 -6.345 1.00 33.14 H new ATOM 0 HG3 MET A 94 -6.436 -1.721 -4.716 1.00 33.14 H new ATOM 0 HE1 MET A 94 -7.901 1.349 -7.587 1.00 51.31 H new ATOM 0 HE2 MET A 94 -7.612 -0.371 -7.940 1.00 51.31 H new ATOM 0 HE3 MET A 94 -9.243 0.185 -7.498 1.00 51.31 H new ATOM 1418 N PHE A 95 -2.563 -2.035 -8.206 1.00 63.11 N ATOM 1419 CA PHE A 95 -1.487 -1.521 -9.049 1.00 51.14 C ATOM 1420 C PHE A 95 -2.058 -0.572 -10.099 1.00 54.45 C ATOM 1421 O PHE A 95 -1.493 0.485 -10.375 1.00 53.14 O ATOM 1422 CB PHE A 95 -0.756 -2.686 -9.731 1.00 71.01 C ATOM 1423 CG PHE A 95 -0.122 -3.651 -8.770 1.00 3.44 C ATOM 1424 CD1 PHE A 95 1.107 -3.368 -8.205 1.00 43.14 C ATOM 1425 CD2 PHE A 95 -0.749 -4.843 -8.441 1.00 75.34 C ATOM 1426 CE1 PHE A 95 1.696 -4.244 -7.316 1.00 63.33 C ATOM 1427 CE2 PHE A 95 -0.166 -5.723 -7.551 1.00 71.42 C ATOM 1428 CZ PHE A 95 1.063 -5.428 -6.995 1.00 52.21 C ATOM 0 H PHE A 95 -2.960 -2.918 -8.528 1.00 63.11 H new ATOM 0 HA PHE A 95 -0.777 -0.974 -8.428 1.00 51.14 H new ATOM 0 HB2 PHE A 95 -1.462 -3.227 -10.361 1.00 71.01 H new ATOM 0 HB3 PHE A 95 0.015 -2.284 -10.389 1.00 71.01 H new ATOM 0 HD1 PHE A 95 1.613 -2.449 -8.462 1.00 43.14 H new ATOM 0 HD2 PHE A 95 -1.703 -5.086 -8.885 1.00 75.34 H new ATOM 0 HE1 PHE A 95 2.651 -4.004 -6.872 1.00 63.33 H new ATOM 0 HE2 PHE A 95 -0.671 -6.641 -7.290 1.00 71.42 H new ATOM 0 HZ PHE A 95 1.528 -6.122 -6.311 1.00 52.21 H new ATOM 1438 N GLY A 96 -3.187 -0.982 -10.669 1.00 62.13 N ATOM 1439 CA GLY A 96 -3.928 -0.165 -11.613 1.00 53.00 C ATOM 1440 C GLY A 96 -3.888 -0.705 -13.030 1.00 42.42 C ATOM 1441 O GLY A 96 -4.813 -0.466 -13.808 1.00 4.01 O ATOM 0 H GLY A 96 -3.611 -1.892 -10.487 1.00 62.13 H new ATOM 0 HA2 GLY A 96 -4.966 -0.095 -11.287 1.00 53.00 H new ATOM 0 HA3 GLY A 96 -3.522 0.847 -11.605 1.00 53.00 H new ATOM 1445 N ASP A 97 -2.835 -1.448 -13.368 1.00 62.03 N ATOM 1446 CA ASP A 97 -2.816 -2.237 -14.596 1.00 15.32 C ATOM 1447 C ASP A 97 -3.085 -3.703 -14.284 1.00 41.05 C ATOM 1448 O ASP A 97 -2.887 -4.149 -13.143 1.00 61.34 O ATOM 1449 CB ASP A 97 -1.467 -2.083 -15.333 1.00 12.22 C ATOM 1450 CG ASP A 97 -0.273 -2.663 -14.581 1.00 10.23 C ATOM 1451 OD1 ASP A 97 0.217 -2.009 -13.636 1.00 43.11 O ATOM 1452 OD2 ASP A 97 0.191 -3.762 -14.950 1.00 53.13 O ATOM 0 H ASP A 97 -1.985 -1.519 -12.808 1.00 62.03 H new ATOM 0 HA ASP A 97 -3.604 -1.865 -15.252 1.00 15.32 H new ATOM 0 HB2 ASP A 97 -1.540 -2.569 -16.306 1.00 12.22 H new ATOM 0 HB3 ASP A 97 -1.286 -1.024 -15.518 1.00 12.22 H new ATOM 1457 N GLY A 98 -3.551 -4.438 -15.296 1.00 34.13 N ATOM 1458 CA GLY A 98 -3.850 -5.848 -15.125 1.00 40.53 C ATOM 1459 C GLY A 98 -5.104 -6.058 -14.304 1.00 5.33 C ATOM 1460 O GLY A 98 -6.159 -5.493 -14.603 1.00 25.23 O ATOM 0 H GLY A 98 -3.726 -4.077 -16.234 1.00 34.13 H new ATOM 0 HA2 GLY A 98 -3.972 -6.315 -16.102 1.00 40.53 H new ATOM 0 HA3 GLY A 98 -3.009 -6.342 -14.638 1.00 40.53 H new ATOM 1464 N ASN A 99 -4.977 -6.880 -13.275 1.00 13.25 N ATOM 1465 CA ASN A 99 -6.047 -7.090 -12.319 1.00 21.24 C ATOM 1466 C ASN A 99 -5.579 -6.703 -10.927 1.00 0.01 C ATOM 1467 O ASN A 99 -4.404 -6.837 -10.599 1.00 52.30 O ATOM 1468 CB ASN A 99 -6.544 -8.542 -12.348 1.00 34.04 C ATOM 1469 CG ASN A 99 -7.489 -8.812 -13.513 1.00 33.11 C ATOM 1470 OD1 ASN A 99 -8.235 -7.930 -13.941 1.00 44.22 O ATOM 1471 ND2 ASN A 99 -7.461 -10.026 -14.041 1.00 21.34 N ATOM 0 H ASN A 99 -4.132 -7.418 -13.081 1.00 13.25 H new ATOM 0 HA ASN A 99 -6.888 -6.454 -12.597 1.00 21.24 H new ATOM 0 HB2 ASN A 99 -5.689 -9.214 -12.415 1.00 34.04 H new ATOM 0 HB3 ASN A 99 -7.054 -8.767 -11.411 1.00 34.04 H new ATOM 0 HD21 ASN A 99 -8.070 -10.254 -14.827 1.00 21.34 H new ATOM 0 HD22 ASN A 99 -6.831 -10.733 -13.662 1.00 21.34 H new ATOM 1478 N THR A 100 -6.481 -6.130 -10.146 1.00 3.11 N ATOM 1479 CA THR A 100 -6.200 -5.842 -8.741 1.00 32.52 C ATOM 1480 C THR A 100 -6.414 -7.081 -7.865 1.00 4.45 C ATOM 1481 O THR A 100 -7.193 -7.966 -8.214 1.00 14.51 O ATOM 1482 CB THR A 100 -7.040 -4.659 -8.215 1.00 72.00 C ATOM 1483 OG1 THR A 100 -8.434 -4.897 -8.425 1.00 53.12 O ATOM 1484 CG2 THR A 100 -6.637 -3.365 -8.908 1.00 61.24 C ATOM 0 H THR A 100 -7.413 -5.854 -10.456 1.00 3.11 H new ATOM 0 HA THR A 100 -5.150 -5.556 -8.682 1.00 32.52 H new ATOM 0 HB THR A 100 -6.852 -4.565 -7.146 1.00 72.00 H new ATOM 0 HG1 THR A 100 -8.951 -4.137 -8.084 1.00 53.12 H new ATOM 0 HG21 THR A 100 -7.241 -2.543 -8.523 1.00 61.24 H new ATOM 0 HG22 THR A 100 -5.583 -3.162 -8.716 1.00 61.24 H new ATOM 0 HG23 THR A 100 -6.798 -3.462 -9.982 1.00 61.24 H new ATOM 1602 N THR A 109 9.330 -3.884 -9.440 1.00 54.03 N ATOM 1603 CA THR A 109 10.583 -3.761 -8.718 1.00 3.02 C ATOM 1604 C THR A 109 11.178 -2.375 -8.941 1.00 70.33 C ATOM 1605 O THR A 109 11.063 -1.805 -10.032 1.00 61.30 O ATOM 1606 CB THR A 109 11.576 -4.863 -9.158 1.00 74.15 C ATOM 1607 OG1 THR A 109 10.898 -6.126 -9.207 1.00 42.33 O ATOM 1608 CG2 THR A 109 12.750 -4.976 -8.197 1.00 34.12 C ATOM 0 HA THR A 109 10.389 -3.890 -7.653 1.00 3.02 H new ATOM 0 HB THR A 109 11.959 -4.592 -10.142 1.00 74.15 H new ATOM 0 HG1 THR A 109 9.933 -5.976 -9.288 1.00 42.33 H new ATOM 0 HG21 THR A 109 13.426 -5.760 -8.539 1.00 34.12 H new ATOM 0 HG22 THR A 109 13.284 -4.026 -8.162 1.00 34.12 H new ATOM 0 HG23 THR A 109 12.382 -5.223 -7.201 1.00 34.12 H new ATOM 1616 N PHE A 110 11.801 -1.843 -7.900 1.00 51.21 N ATOM 1617 CA PHE A 110 12.271 -0.471 -7.893 1.00 0.32 C ATOM 1618 C PHE A 110 13.705 -0.412 -8.431 1.00 31.41 C ATOM 1619 O PHE A 110 14.672 -0.369 -7.672 1.00 63.30 O ATOM 1620 CB PHE A 110 12.180 0.125 -6.468 1.00 63.22 C ATOM 1621 CG PHE A 110 10.772 0.357 -5.930 1.00 51.53 C ATOM 1622 CD1 PHE A 110 9.794 -0.637 -5.961 1.00 55.23 C ATOM 1623 CD2 PHE A 110 10.436 1.579 -5.376 1.00 42.50 C ATOM 1624 CE1 PHE A 110 8.526 -0.411 -5.461 1.00 54.40 C ATOM 1625 CE2 PHE A 110 9.167 1.806 -4.870 1.00 55.50 C ATOM 1626 CZ PHE A 110 8.213 0.812 -4.916 1.00 4.12 C ATOM 0 H PHE A 110 11.994 -2.353 -7.038 1.00 51.21 H new ATOM 0 HA PHE A 110 11.635 0.130 -8.543 1.00 0.32 H new ATOM 0 HB2 PHE A 110 12.704 -0.541 -5.783 1.00 63.22 H new ATOM 0 HB3 PHE A 110 12.713 1.076 -6.458 1.00 63.22 H new ATOM 0 HD1 PHE A 110 10.032 -1.602 -6.384 1.00 55.23 H new ATOM 0 HD2 PHE A 110 11.173 2.367 -5.337 1.00 42.50 H new ATOM 0 HE1 PHE A 110 7.782 -1.193 -5.498 1.00 54.40 H new ATOM 0 HE2 PHE A 110 8.924 2.765 -4.438 1.00 55.50 H new ATOM 0 HZ PHE A 110 7.223 0.993 -4.525 1.00 4.12 H new ATOM 1636 N PHE A 111 13.815 -0.533 -9.758 1.00 52.42 N ATOM 1637 CA PHE A 111 15.096 -0.429 -10.459 1.00 11.44 C ATOM 1638 C PHE A 111 15.347 0.994 -10.948 1.00 63.40 C ATOM 1639 O PHE A 111 16.492 1.386 -11.180 1.00 4.32 O ATOM 1640 CB PHE A 111 15.152 -1.373 -11.664 1.00 70.41 C ATOM 1641 CG PHE A 111 15.238 -2.833 -11.332 1.00 34.51 C ATOM 1642 CD1 PHE A 111 16.323 -3.342 -10.636 1.00 32.22 C ATOM 1643 CD2 PHE A 111 14.249 -3.706 -11.752 1.00 70.23 C ATOM 1644 CE1 PHE A 111 16.416 -4.692 -10.362 1.00 45.02 C ATOM 1645 CE2 PHE A 111 14.336 -5.058 -11.478 1.00 20.52 C ATOM 1646 CZ PHE A 111 15.422 -5.551 -10.783 1.00 31.34 C ATOM 0 H PHE A 111 13.020 -0.705 -10.374 1.00 52.42 H new ATOM 0 HA PHE A 111 15.866 -0.710 -9.741 1.00 11.44 H new ATOM 0 HB2 PHE A 111 14.265 -1.208 -12.275 1.00 70.41 H new ATOM 0 HB3 PHE A 111 16.014 -1.105 -12.275 1.00 70.41 H new ATOM 0 HD1 PHE A 111 17.105 -2.675 -10.304 1.00 32.22 H new ATOM 0 HD2 PHE A 111 13.400 -3.326 -12.300 1.00 70.23 H new ATOM 0 HE1 PHE A 111 17.267 -5.075 -9.818 1.00 45.02 H new ATOM 0 HE2 PHE A 111 13.555 -5.728 -11.807 1.00 20.52 H new ATOM 0 HZ PHE A 111 15.493 -6.607 -10.569 1.00 31.34 H new ATOM 1656 N ASN A 112 14.271 1.750 -11.126 1.00 43.20 N ATOM 1657 CA ASN A 112 14.365 3.096 -11.666 1.00 34.24 C ATOM 1658 C ASN A 112 13.861 4.085 -10.621 1.00 55.03 C ATOM 1659 O ASN A 112 13.098 3.725 -9.727 1.00 34.20 O ATOM 1660 CB ASN A 112 13.571 3.201 -12.984 1.00 25.53 C ATOM 1661 CG ASN A 112 13.925 4.425 -13.818 1.00 44.05 C ATOM 1662 OD1 ASN A 112 13.278 5.465 -13.722 1.00 44.44 O ATOM 1663 ND2 ASN A 112 14.958 4.308 -14.644 1.00 10.31 N ATOM 0 H ASN A 112 13.322 1.451 -10.903 1.00 43.20 H new ATOM 0 HA ASN A 112 15.403 3.335 -11.897 1.00 34.24 H new ATOM 0 HB2 ASN A 112 13.750 2.304 -13.577 1.00 25.53 H new ATOM 0 HB3 ASN A 112 12.506 3.225 -12.755 1.00 25.53 H new ATOM 0 HD21 ASN A 112 15.238 5.098 -15.226 1.00 10.31 H new ATOM 0 HD22 ASN A 112 15.472 3.428 -14.697 1.00 10.31 H new ATOM 1670 N GLU A 113 14.331 5.313 -10.712 1.00 25.43 N ATOM 1671 CA GLU A 113 14.014 6.331 -9.731 1.00 53.20 C ATOM 1672 C GLU A 113 12.835 7.196 -10.181 1.00 20.43 C ATOM 1673 O GLU A 113 12.327 7.049 -11.296 1.00 14.04 O ATOM 1674 CB GLU A 113 15.255 7.185 -9.455 1.00 52.45 C ATOM 1675 CG GLU A 113 16.460 6.377 -8.979 1.00 71.23 C ATOM 1676 CD GLU A 113 17.485 6.124 -10.074 1.00 31.52 C ATOM 1677 OE1 GLU A 113 17.310 5.187 -10.878 1.00 24.42 O ATOM 1678 OE2 GLU A 113 18.474 6.865 -10.135 1.00 53.11 O ATOM 0 H GLU A 113 14.941 5.632 -11.465 1.00 25.43 H new ATOM 0 HA GLU A 113 13.712 5.840 -8.806 1.00 53.20 H new ATOM 0 HB2 GLU A 113 15.525 7.723 -10.364 1.00 52.45 H new ATOM 0 HB3 GLU A 113 15.010 7.934 -8.702 1.00 52.45 H new ATOM 0 HG2 GLU A 113 16.941 6.905 -8.156 1.00 71.23 H new ATOM 0 HG3 GLU A 113 16.115 5.421 -8.586 1.00 71.23 H new ATOM 1685 N GLY A 114 12.391 8.076 -9.296 1.00 32.45 N ATOM 1686 CA GLY A 114 11.248 8.917 -9.576 1.00 35.54 C ATOM 1687 C GLY A 114 10.226 8.854 -8.471 1.00 63.43 C ATOM 1688 O GLY A 114 10.539 9.147 -7.314 1.00 53.13 O ATOM 0 H GLY A 114 12.809 8.223 -8.377 1.00 32.45 H new ATOM 0 HA2 GLY A 114 11.578 9.947 -9.708 1.00 35.54 H new ATOM 0 HA3 GLY A 114 10.789 8.606 -10.515 1.00 35.54 H new ATOM 1692 N GLU A 115 9.011 8.453 -8.814 1.00 11.45 N ATOM 1693 CA GLU A 115 7.927 8.377 -7.850 1.00 44.52 C ATOM 1694 C GLU A 115 7.120 7.103 -8.064 1.00 23.13 C ATOM 1695 O GLU A 115 6.796 6.740 -9.196 1.00 25.31 O ATOM 1696 CB GLU A 115 7.013 9.597 -7.978 1.00 30.34 C ATOM 1697 CG GLU A 115 5.948 9.691 -6.888 1.00 50.11 C ATOM 1698 CD GLU A 115 4.913 10.746 -7.179 1.00 12.51 C ATOM 1699 OE1 GLU A 115 5.165 11.926 -6.876 1.00 3.13 O ATOM 1700 OE2 GLU A 115 3.841 10.397 -7.716 1.00 10.12 O ATOM 0 H GLU A 115 8.751 8.174 -9.760 1.00 11.45 H new ATOM 0 HA GLU A 115 8.357 8.362 -6.848 1.00 44.52 H new ATOM 0 HB2 GLU A 115 7.623 10.500 -7.954 1.00 30.34 H new ATOM 0 HB3 GLU A 115 6.522 9.570 -8.951 1.00 30.34 H new ATOM 0 HG2 GLU A 115 5.456 8.724 -6.782 1.00 50.11 H new ATOM 0 HG3 GLU A 115 6.428 9.911 -5.934 1.00 50.11 H new ATOM 1707 N TYR A 116 6.828 6.421 -6.973 1.00 24.11 N ATOM 1708 CA TYR A 116 5.968 5.254 -6.995 1.00 73.04 C ATOM 1709 C TYR A 116 4.845 5.427 -5.993 1.00 34.12 C ATOM 1710 O TYR A 116 4.987 6.163 -5.021 1.00 51.44 O ATOM 1711 CB TYR A 116 6.765 3.992 -6.670 1.00 34.11 C ATOM 1712 CG TYR A 116 7.779 3.600 -7.728 1.00 2.14 C ATOM 1713 CD1 TYR A 116 7.403 2.817 -8.806 1.00 62.20 C ATOM 1714 CD2 TYR A 116 9.110 3.991 -7.633 1.00 34.05 C ATOM 1715 CE1 TYR A 116 8.319 2.428 -9.758 1.00 2.34 C ATOM 1716 CE2 TYR A 116 10.033 3.609 -8.586 1.00 73.20 C ATOM 1717 CZ TYR A 116 9.632 2.824 -9.647 1.00 22.23 C ATOM 1718 OH TYR A 116 10.544 2.424 -10.595 1.00 53.12 O ATOM 0 H TYR A 116 7.181 6.661 -6.046 1.00 24.11 H new ATOM 0 HA TYR A 116 5.548 5.149 -7.995 1.00 73.04 H new ATOM 0 HB2 TYR A 116 7.285 4.139 -5.723 1.00 34.11 H new ATOM 0 HB3 TYR A 116 6.070 3.165 -6.527 1.00 34.11 H new ATOM 0 HD1 TYR A 116 6.373 2.506 -8.902 1.00 62.20 H new ATOM 0 HD2 TYR A 116 9.427 4.603 -6.801 1.00 34.05 H new ATOM 0 HE1 TYR A 116 8.007 1.814 -10.590 1.00 2.34 H new ATOM 0 HE2 TYR A 116 11.063 3.923 -8.501 1.00 73.20 H new ATOM 0 HH TYR A 116 11.423 2.801 -10.383 1.00 53.12 H new ATOM 1728 N ILE A 117 3.717 4.781 -6.245 1.00 11.35 N ATOM 1729 CA ILE A 117 2.593 4.827 -5.314 1.00 75.14 C ATOM 1730 C ILE A 117 2.187 3.402 -4.926 1.00 62.25 C ATOM 1731 O ILE A 117 1.936 2.563 -5.789 1.00 42.41 O ATOM 1732 CB ILE A 117 1.363 5.591 -5.903 1.00 23.31 C ATOM 1733 CG1 ILE A 117 1.765 6.986 -6.416 1.00 42.22 C ATOM 1734 CG2 ILE A 117 0.276 5.732 -4.839 1.00 12.15 C ATOM 1735 CD1 ILE A 117 0.661 7.721 -7.154 1.00 11.22 C ATOM 0 H ILE A 117 3.553 4.220 -7.081 1.00 11.35 H new ATOM 0 HA ILE A 117 2.920 5.376 -4.431 1.00 75.14 H new ATOM 0 HB ILE A 117 0.981 5.012 -6.744 1.00 23.31 H new ATOM 0 HG12 ILE A 117 2.087 7.593 -5.570 1.00 42.22 H new ATOM 0 HG13 ILE A 117 2.624 6.883 -7.079 1.00 42.22 H new ATOM 0 HG21 ILE A 117 -0.577 6.266 -5.259 1.00 12.15 H new ATOM 0 HG22 ILE A 117 -0.041 4.743 -4.510 1.00 12.15 H new ATOM 0 HG23 ILE A 117 0.669 6.289 -3.988 1.00 12.15 H new ATOM 0 HD11 ILE A 117 1.027 8.694 -7.481 1.00 11.22 H new ATOM 0 HD12 ILE A 117 0.353 7.138 -8.022 1.00 11.22 H new ATOM 0 HD13 ILE A 117 -0.192 7.859 -6.489 1.00 11.22 H new ATOM 1747 N VAL A 118 2.166 3.124 -3.622 1.00 61.22 N ATOM 1748 CA VAL A 118 1.702 1.831 -3.110 1.00 34.43 C ATOM 1749 C VAL A 118 0.274 1.985 -2.572 1.00 52.44 C ATOM 1750 O VAL A 118 0.021 2.824 -1.703 1.00 53.44 O ATOM 1751 CB VAL A 118 2.645 1.269 -2.001 1.00 25.53 C ATOM 1752 CG1 VAL A 118 2.205 -0.115 -1.544 1.00 33.43 C ATOM 1753 CG2 VAL A 118 4.088 1.206 -2.483 1.00 30.53 C ATOM 0 H VAL A 118 2.465 3.778 -2.898 1.00 61.22 H new ATOM 0 HA VAL A 118 1.714 1.114 -3.931 1.00 34.43 H new ATOM 0 HB VAL A 118 2.582 1.955 -1.156 1.00 25.53 H new ATOM 0 HG11 VAL A 118 2.884 -0.476 -0.771 1.00 33.43 H new ATOM 0 HG12 VAL A 118 1.193 -0.061 -1.142 1.00 33.43 H new ATOM 0 HG13 VAL A 118 2.222 -0.800 -2.391 1.00 33.43 H new ATOM 0 HG21 VAL A 118 4.720 0.810 -1.688 1.00 30.53 H new ATOM 0 HG22 VAL A 118 4.152 0.556 -3.355 1.00 30.53 H new ATOM 0 HG23 VAL A 118 4.426 2.207 -2.751 1.00 30.53 H new ATOM 1763 N SER A 119 -0.656 1.198 -3.108 1.00 73.23 N ATOM 1764 CA SER A 119 -2.066 1.332 -2.755 1.00 31.22 C ATOM 1765 C SER A 119 -2.619 0.060 -2.100 1.00 53.34 C ATOM 1766 O SER A 119 -2.672 -1.006 -2.721 1.00 25.02 O ATOM 1767 CB SER A 119 -2.880 1.694 -4.007 1.00 74.43 C ATOM 1768 OG SER A 119 -4.252 1.887 -3.712 1.00 60.43 O ATOM 0 H SER A 119 -0.459 0.463 -3.787 1.00 73.23 H new ATOM 0 HA SER A 119 -2.154 2.132 -2.020 1.00 31.22 H new ATOM 0 HB2 SER A 119 -2.474 2.602 -4.453 1.00 74.43 H new ATOM 0 HB3 SER A 119 -2.777 0.901 -4.748 1.00 74.43 H new ATOM 0 HG SER A 119 -4.734 2.117 -4.534 1.00 60.43 H new ATOM 1774 N LEU A 120 -3.031 0.202 -0.840 1.00 13.11 N ATOM 1775 CA LEU A 120 -3.694 -0.868 -0.096 1.00 41.32 C ATOM 1776 C LEU A 120 -5.050 -0.376 0.398 1.00 51.34 C ATOM 1777 O LEU A 120 -5.136 0.553 1.195 1.00 33.21 O ATOM 1778 CB LEU A 120 -2.817 -1.334 1.086 1.00 23.12 C ATOM 1779 CG LEU A 120 -3.391 -2.428 2.014 1.00 12.42 C ATOM 1780 CD1 LEU A 120 -3.883 -3.638 1.225 1.00 1.41 C ATOM 1781 CD2 LEU A 120 -2.330 -2.860 3.001 1.00 44.11 C ATOM 0 H LEU A 120 -2.914 1.063 -0.306 1.00 13.11 H new ATOM 0 HA LEU A 120 -3.844 -1.723 -0.756 1.00 41.32 H new ATOM 0 HB2 LEU A 120 -1.873 -1.698 0.681 1.00 23.12 H new ATOM 0 HB3 LEU A 120 -2.586 -0.462 1.698 1.00 23.12 H new ATOM 0 HG LEU A 120 -4.245 -2.006 2.543 1.00 12.42 H new ATOM 0 HD11 LEU A 120 -4.279 -4.385 1.913 1.00 1.41 H new ATOM 0 HD12 LEU A 120 -4.668 -3.328 0.535 1.00 1.41 H new ATOM 0 HD13 LEU A 120 -3.054 -4.067 0.662 1.00 1.41 H new ATOM 0 HD21 LEU A 120 -2.735 -3.632 3.656 1.00 44.11 H new ATOM 0 HD22 LEU A 120 -1.470 -3.257 2.461 1.00 44.11 H new ATOM 0 HD23 LEU A 120 -2.019 -2.003 3.599 1.00 44.11 H new ATOM 1793 N ILE A 121 -6.101 -1.000 -0.101 1.00 11.03 N ATOM 1794 CA ILE A 121 -7.462 -0.685 0.311 1.00 21.11 C ATOM 1795 C ILE A 121 -8.116 -1.941 0.892 1.00 52.23 C ATOM 1796 O ILE A 121 -7.950 -3.035 0.364 1.00 14.54 O ATOM 1797 CB ILE A 121 -8.300 -0.089 -0.874 1.00 35.54 C ATOM 1798 CG1 ILE A 121 -9.808 -0.009 -0.528 1.00 54.13 C ATOM 1799 CG2 ILE A 121 -8.063 -0.869 -2.163 1.00 53.41 C ATOM 1800 CD1 ILE A 121 -10.708 0.471 -1.652 1.00 21.31 C ATOM 0 H ILE A 121 -6.039 -1.738 -0.802 1.00 11.03 H new ATOM 0 HA ILE A 121 -7.430 0.085 1.082 1.00 21.11 H new ATOM 0 HB ILE A 121 -7.955 0.932 -1.036 1.00 35.54 H new ATOM 0 HG12 ILE A 121 -10.144 -0.997 -0.212 1.00 54.13 H new ATOM 0 HG13 ILE A 121 -9.933 0.658 0.325 1.00 54.13 H new ATOM 0 HG21 ILE A 121 -8.657 -0.433 -2.966 1.00 53.41 H new ATOM 0 HG22 ILE A 121 -7.006 -0.823 -2.427 1.00 53.41 H new ATOM 0 HG23 ILE A 121 -8.356 -1.909 -2.018 1.00 53.41 H new ATOM 0 HD11 ILE A 121 -11.742 0.491 -1.307 1.00 21.31 H new ATOM 0 HD12 ILE A 121 -10.407 1.474 -1.956 1.00 21.31 H new ATOM 0 HD13 ILE A 121 -10.622 -0.206 -2.502 1.00 21.31 H new ATOM 1812 N VAL A 122 -8.815 -1.781 2.008 1.00 43.22 N ATOM 1813 CA VAL A 122 -9.493 -2.897 2.655 1.00 50.00 C ATOM 1814 C VAL A 122 -11.004 -2.695 2.663 1.00 4.22 C ATOM 1815 O VAL A 122 -11.499 -1.574 2.496 1.00 11.01 O ATOM 1816 CB VAL A 122 -8.988 -3.134 4.103 1.00 44.13 C ATOM 1817 CG1 VAL A 122 -7.533 -3.571 4.101 1.00 61.22 C ATOM 1818 CG2 VAL A 122 -9.174 -1.898 4.974 1.00 34.22 C ATOM 0 H VAL A 122 -8.928 -0.887 2.485 1.00 43.22 H new ATOM 0 HA VAL A 122 -9.255 -3.783 2.067 1.00 50.00 H new ATOM 0 HB VAL A 122 -9.591 -3.934 4.532 1.00 44.13 H new ATOM 0 HG11 VAL A 122 -7.200 -3.731 5.126 1.00 61.22 H new ATOM 0 HG12 VAL A 122 -7.432 -4.499 3.537 1.00 61.22 H new ATOM 0 HG13 VAL A 122 -6.921 -2.797 3.638 1.00 61.22 H new ATOM 0 HG21 VAL A 122 -8.809 -2.104 5.980 1.00 34.22 H new ATOM 0 HG22 VAL A 122 -8.615 -1.065 4.548 1.00 34.22 H new ATOM 0 HG23 VAL A 122 -10.232 -1.640 5.018 1.00 34.22 H new ATOM 1828 N SER A 123 -11.731 -3.780 2.873 1.00 54.51 N ATOM 1829 CA SER A 123 -13.181 -3.748 2.848 1.00 34.02 C ATOM 1830 C SER A 123 -13.755 -4.475 4.063 1.00 43.53 C ATOM 1831 O SER A 123 -13.160 -5.435 4.563 1.00 63.42 O ATOM 1832 CB SER A 123 -13.691 -4.371 1.546 1.00 73.41 C ATOM 1833 OG SER A 123 -13.106 -5.644 1.323 1.00 23.24 O ATOM 0 H SER A 123 -11.335 -4.700 3.064 1.00 54.51 H new ATOM 0 HA SER A 123 -13.514 -2.711 2.892 1.00 34.02 H new ATOM 0 HB2 SER A 123 -14.776 -4.469 1.587 1.00 73.41 H new ATOM 0 HB3 SER A 123 -13.462 -3.711 0.710 1.00 73.41 H new ATOM 0 HG SER A 123 -13.450 -6.020 0.486 1.00 23.24 H new ATOM 1839 N ASN A 124 -14.890 -3.978 4.540 1.00 51.05 N ATOM 1840 CA ASN A 124 -15.607 -4.535 5.685 1.00 21.12 C ATOM 1841 C ASN A 124 -17.094 -4.185 5.505 1.00 11.13 C ATOM 1842 O ASN A 124 -17.422 -3.362 4.644 1.00 21.01 O ATOM 1843 CB ASN A 124 -14.988 -3.943 6.980 1.00 73.34 C ATOM 1844 CG ASN A 124 -15.691 -4.302 8.277 1.00 33.33 C ATOM 1845 OD1 ASN A 124 -16.533 -3.549 8.750 1.00 32.15 O ATOM 1846 ND2 ASN A 124 -15.340 -5.431 8.863 1.00 14.14 N ATOM 0 H ASN A 124 -15.348 -3.161 4.136 1.00 51.05 H new ATOM 0 HA ASN A 124 -15.522 -5.619 5.758 1.00 21.12 H new ATOM 0 HB2 ASN A 124 -13.952 -4.274 7.048 1.00 73.34 H new ATOM 0 HB3 ASN A 124 -14.971 -2.857 6.887 1.00 73.34 H new ATOM 0 HD21 ASN A 124 -15.775 -5.705 9.744 1.00 14.14 H new ATOM 0 HD22 ASN A 124 -14.634 -6.030 8.435 1.00 14.14 H new ATOM 1853 N GLU A 125 -17.993 -4.794 6.290 1.00 4.11 N ATOM 1854 CA GLU A 125 -19.443 -4.621 6.110 1.00 41.40 C ATOM 1855 C GLU A 125 -19.937 -3.251 6.615 1.00 44.31 C ATOM 1856 O GLU A 125 -21.032 -2.808 6.257 1.00 44.25 O ATOM 1857 CB GLU A 125 -20.196 -5.760 6.822 1.00 1.03 C ATOM 1858 CG GLU A 125 -19.956 -5.823 8.333 1.00 52.20 C ATOM 1859 CD GLU A 125 -20.585 -7.031 8.991 1.00 23.11 C ATOM 1860 OE1 GLU A 125 -21.826 -7.100 9.062 1.00 22.11 O ATOM 1861 OE2 GLU A 125 -19.838 -7.918 9.452 1.00 54.51 O ATOM 0 H GLU A 125 -17.741 -5.414 7.060 1.00 4.11 H new ATOM 0 HA GLU A 125 -19.649 -4.658 5.040 1.00 41.40 H new ATOM 0 HB2 GLU A 125 -21.264 -5.644 6.640 1.00 1.03 H new ATOM 0 HB3 GLU A 125 -19.899 -6.710 6.378 1.00 1.03 H new ATOM 0 HG2 GLU A 125 -18.883 -5.833 8.523 1.00 52.20 H new ATOM 0 HG3 GLU A 125 -20.353 -4.919 8.795 1.00 52.20 H new ATOM 1868 N ASN A 126 -19.125 -2.593 7.437 1.00 65.24 N ATOM 1869 CA ASN A 126 -19.473 -1.300 8.013 1.00 12.21 C ATOM 1870 C ASN A 126 -18.971 -0.170 7.125 1.00 2.33 C ATOM 1871 O ASN A 126 -19.737 0.714 6.739 1.00 0.03 O ATOM 1872 CB ASN A 126 -18.862 -1.163 9.412 1.00 35.12 C ATOM 1873 CG ASN A 126 -19.304 -2.262 10.357 1.00 10.32 C ATOM 1874 OD1 ASN A 126 -20.451 -2.708 10.328 1.00 5.24 O ATOM 1875 ND2 ASN A 126 -18.384 -2.740 11.173 1.00 74.12 N ATOM 0 H ASN A 126 -18.209 -2.941 7.722 1.00 65.24 H new ATOM 0 HA ASN A 126 -20.559 -1.238 8.087 1.00 12.21 H new ATOM 0 HB2 ASN A 126 -17.775 -1.175 9.331 1.00 35.12 H new ATOM 0 HB3 ASN A 126 -19.140 -0.196 9.832 1.00 35.12 H new ATOM 0 HD21 ASN A 126 -18.613 -3.505 11.808 1.00 74.12 H new ATOM 0 HD22 ASN A 126 -17.444 -2.345 11.169 1.00 74.12 H new ATOM 1882 N ASP A 127 -17.684 -0.217 6.792 1.00 21.11 N ATOM 1883 CA ASP A 127 -17.051 0.846 6.026 1.00 52.21 C ATOM 1884 C ASP A 127 -15.905 0.274 5.193 1.00 51.02 C ATOM 1885 O ASP A 127 -15.566 -0.908 5.317 1.00 55.23 O ATOM 1886 CB ASP A 127 -16.552 1.933 7.004 1.00 51.55 C ATOM 1887 CG ASP A 127 -16.188 3.252 6.347 1.00 72.42 C ATOM 1888 OD1 ASP A 127 -16.986 3.759 5.539 1.00 33.23 O ATOM 1889 OD2 ASP A 127 -15.103 3.787 6.646 1.00 1.42 O ATOM 0 H ASP A 127 -17.060 -0.984 7.043 1.00 21.11 H new ATOM 0 HA ASP A 127 -17.766 1.296 5.337 1.00 52.21 H new ATOM 0 HB2 ASP A 127 -17.325 2.115 7.751 1.00 51.55 H new ATOM 0 HB3 ASP A 127 -15.679 1.553 7.535 1.00 51.55 H new ATOM 1894 N SER A 128 -15.345 1.091 4.319 1.00 60.30 N ATOM 1895 CA SER A 128 -14.141 0.739 3.586 1.00 50.13 C ATOM 1896 C SER A 128 -13.064 1.774 3.891 1.00 23.45 C ATOM 1897 O SER A 128 -13.363 2.960 4.041 1.00 10.20 O ATOM 1898 CB SER A 128 -14.411 0.706 2.082 1.00 13.34 C ATOM 1899 OG SER A 128 -15.576 -0.043 1.784 1.00 75.51 O ATOM 0 H SER A 128 -15.711 2.017 4.097 1.00 60.30 H new ATOM 0 HA SER A 128 -13.811 -0.253 3.894 1.00 50.13 H new ATOM 0 HB2 SER A 128 -14.525 1.724 1.709 1.00 13.34 H new ATOM 0 HB3 SER A 128 -13.555 0.271 1.566 1.00 13.34 H new ATOM 0 HG SER A 128 -15.725 -0.045 0.815 1.00 75.51 H new ATOM 1905 N ASP A 129 -11.816 1.338 3.987 1.00 53.24 N ATOM 1906 CA ASP A 129 -10.731 2.238 4.336 1.00 74.34 C ATOM 1907 C ASP A 129 -9.591 2.054 3.358 1.00 1.21 C ATOM 1908 O ASP A 129 -9.247 0.931 3.008 1.00 32.02 O ATOM 1909 CB ASP A 129 -10.264 1.982 5.770 1.00 24.21 C ATOM 1910 CG ASP A 129 -9.441 3.123 6.326 1.00 20.32 C ATOM 1911 OD1 ASP A 129 -10.029 4.059 6.901 1.00 74.03 O ATOM 1912 OD2 ASP A 129 -8.205 3.092 6.195 1.00 71.10 O ATOM 0 H ASP A 129 -11.533 0.371 3.829 1.00 53.24 H new ATOM 0 HA ASP A 129 -11.084 3.268 4.278 1.00 74.34 H new ATOM 0 HB2 ASP A 129 -11.133 1.821 6.408 1.00 24.21 H new ATOM 0 HB3 ASP A 129 -9.674 1.066 5.798 1.00 24.21 H new ATOM 1917 N SER A 130 -9.035 3.154 2.883 1.00 44.33 N ATOM 1918 CA SER A 130 -7.975 3.099 1.900 1.00 74.11 C ATOM 1919 C SER A 130 -6.761 3.893 2.381 1.00 34.00 C ATOM 1920 O SER A 130 -6.893 5.019 2.869 1.00 34.42 O ATOM 1921 CB SER A 130 -8.482 3.666 0.574 1.00 42.24 C ATOM 1922 OG SER A 130 -9.806 3.235 0.296 1.00 1.11 O ATOM 0 H SER A 130 -9.303 4.097 3.165 1.00 44.33 H new ATOM 0 HA SER A 130 -7.673 2.061 1.758 1.00 74.11 H new ATOM 0 HB2 SER A 130 -8.452 4.755 0.608 1.00 42.24 H new ATOM 0 HB3 SER A 130 -7.820 3.354 -0.233 1.00 42.24 H new ATOM 0 HG SER A 130 -10.102 3.616 -0.557 1.00 1.11 H new ATOM 1928 N ALA A 131 -5.585 3.297 2.254 1.00 62.32 N ATOM 1929 CA ALA A 131 -4.336 3.969 2.589 1.00 53.24 C ATOM 1930 C ALA A 131 -3.367 3.887 1.424 1.00 25.11 C ATOM 1931 O ALA A 131 -3.247 2.846 0.769 1.00 72.33 O ATOM 1932 CB ALA A 131 -3.706 3.370 3.834 1.00 63.41 C ATOM 0 H ALA A 131 -5.468 2.341 1.918 1.00 62.32 H new ATOM 0 HA ALA A 131 -4.562 5.016 2.793 1.00 53.24 H new ATOM 0 HB1 ALA A 131 -2.776 3.892 4.058 1.00 63.41 H new ATOM 0 HB2 ALA A 131 -4.392 3.473 4.675 1.00 63.41 H new ATOM 0 HB3 ALA A 131 -3.497 2.314 3.664 1.00 63.41 H new ATOM 1938 N SER A 132 -2.691 4.989 1.158 1.00 75.35 N ATOM 1939 CA SER A 132 -1.742 5.062 0.069 1.00 22.01 C ATOM 1940 C SER A 132 -0.653 6.080 0.416 1.00 71.34 C ATOM 1941 O SER A 132 -0.907 7.025 1.165 1.00 72.35 O ATOM 1942 CB SER A 132 -2.477 5.448 -1.218 1.00 12.23 C ATOM 1943 OG SER A 132 -1.683 5.198 -2.357 1.00 25.35 O ATOM 0 H SER A 132 -2.785 5.854 1.690 1.00 75.35 H new ATOM 0 HA SER A 132 -1.267 4.093 -0.087 1.00 22.01 H new ATOM 0 HB2 SER A 132 -3.408 4.885 -1.290 1.00 12.23 H new ATOM 0 HB3 SER A 132 -2.745 6.504 -1.184 1.00 12.23 H new ATOM 0 HG SER A 132 -1.104 4.426 -2.189 1.00 25.35 H new ATOM 1949 N VAL A 133 0.555 5.889 -0.108 1.00 45.13 N ATOM 1950 CA VAL A 133 1.677 6.748 0.251 1.00 13.00 C ATOM 1951 C VAL A 133 2.590 7.001 -0.965 1.00 22.43 C ATOM 1952 O VAL A 133 2.711 6.153 -1.862 1.00 44.23 O ATOM 1953 CB VAL A 133 2.470 6.153 1.467 1.00 71.35 C ATOM 1954 CG1 VAL A 133 3.184 4.858 1.113 1.00 41.33 C ATOM 1955 CG2 VAL A 133 3.453 7.153 2.068 1.00 41.41 C ATOM 0 H VAL A 133 0.780 5.153 -0.777 1.00 45.13 H new ATOM 0 HA VAL A 133 1.283 7.715 0.564 1.00 13.00 H new ATOM 0 HB VAL A 133 1.719 5.927 2.224 1.00 71.35 H new ATOM 0 HG11 VAL A 133 3.718 4.486 1.987 1.00 41.33 H new ATOM 0 HG12 VAL A 133 2.453 4.116 0.791 1.00 41.33 H new ATOM 0 HG13 VAL A 133 3.893 5.042 0.306 1.00 41.33 H new ATOM 0 HG21 VAL A 133 3.975 6.691 2.906 1.00 41.41 H new ATOM 0 HG22 VAL A 133 4.176 7.453 1.310 1.00 41.41 H new ATOM 0 HG23 VAL A 133 2.910 8.031 2.419 1.00 41.41 H new ATOM 1965 N THR A 134 3.170 8.202 -1.003 1.00 3.12 N ATOM 1966 CA THR A 134 4.149 8.579 -2.010 1.00 43.30 C ATOM 1967 C THR A 134 5.526 8.007 -1.659 1.00 34.11 C ATOM 1968 O THR A 134 6.136 8.385 -0.653 1.00 30.14 O ATOM 1969 CB THR A 134 4.248 10.121 -2.123 1.00 42.41 C ATOM 1970 OG1 THR A 134 2.951 10.674 -2.362 1.00 23.31 O ATOM 1971 CG2 THR A 134 5.187 10.552 -3.246 1.00 1.31 C ATOM 0 H THR A 134 2.969 8.941 -0.329 1.00 3.12 H new ATOM 0 HA THR A 134 3.823 8.170 -2.966 1.00 43.30 H new ATOM 0 HB THR A 134 4.652 10.491 -1.181 1.00 42.41 H new ATOM 0 HG1 THR A 134 3.019 11.649 -2.431 1.00 23.31 H new ATOM 0 HG21 THR A 134 5.227 11.640 -3.290 1.00 1.31 H new ATOM 0 HG22 THR A 134 6.186 10.160 -3.056 1.00 1.31 H new ATOM 0 HG23 THR A 134 4.820 10.164 -4.196 1.00 1.31 H new ATOM 1979 N ILE A 135 5.989 7.080 -2.483 1.00 1.23 N ATOM 1980 CA ILE A 135 7.338 6.544 -2.369 1.00 0.54 C ATOM 1981 C ILE A 135 8.245 7.376 -3.257 1.00 71.20 C ATOM 1982 O ILE A 135 7.983 7.521 -4.455 1.00 43.33 O ATOM 1983 CB ILE A 135 7.435 5.055 -2.814 1.00 2.52 C ATOM 1984 CG1 ILE A 135 6.304 4.197 -2.208 1.00 25.44 C ATOM 1985 CG2 ILE A 135 8.801 4.472 -2.443 1.00 41.23 C ATOM 1986 CD1 ILE A 135 6.287 4.137 -0.693 1.00 72.30 C ATOM 0 H ILE A 135 5.444 6.679 -3.246 1.00 1.23 H new ATOM 0 HA ILE A 135 7.632 6.588 -1.320 1.00 0.54 H new ATOM 0 HB ILE A 135 7.320 5.032 -3.898 1.00 2.52 H new ATOM 0 HG12 ILE A 135 5.347 4.589 -2.552 1.00 25.44 H new ATOM 0 HG13 ILE A 135 6.391 3.182 -2.596 1.00 25.44 H new ATOM 0 HG21 ILE A 135 8.851 3.431 -2.762 1.00 41.23 H new ATOM 0 HG22 ILE A 135 9.587 5.041 -2.940 1.00 41.23 H new ATOM 0 HG23 ILE A 135 8.939 4.528 -1.363 1.00 41.23 H new ATOM 0 HD11 ILE A 135 5.458 3.511 -0.363 1.00 72.30 H new ATOM 0 HD12 ILE A 135 7.226 3.714 -0.335 1.00 72.30 H new ATOM 0 HD13 ILE A 135 6.166 5.143 -0.290 1.00 72.30 H new ATOM 1998 N ARG A 136 9.295 7.933 -2.688 1.00 40.42 N ATOM 1999 CA ARG A 136 10.187 8.771 -3.455 1.00 10.41 C ATOM 2000 C ARG A 136 11.527 8.099 -3.625 1.00 40.41 C ATOM 2001 O ARG A 136 12.269 7.887 -2.664 1.00 44.42 O ATOM 2002 CB ARG A 136 10.345 10.150 -2.819 1.00 52.44 C ATOM 2003 CG ARG A 136 9.074 10.979 -2.879 1.00 1.22 C ATOM 2004 CD ARG A 136 9.293 12.389 -2.374 1.00 23.52 C ATOM 2005 NE ARG A 136 9.724 12.427 -0.972 1.00 70.13 N ATOM 2006 CZ ARG A 136 9.311 13.328 -0.078 1.00 3.43 C ATOM 2007 NH1 ARG A 136 8.384 14.233 -0.396 1.00 50.42 N ATOM 2008 NH2 ARG A 136 9.816 13.321 1.144 1.00 21.54 N ATOM 0 H ARG A 136 9.548 7.821 -1.706 1.00 40.42 H new ATOM 0 HA ARG A 136 9.745 8.916 -4.441 1.00 10.41 H new ATOM 0 HB2 ARG A 136 10.647 10.032 -1.778 1.00 52.44 H new ATOM 0 HB3 ARG A 136 11.147 10.688 -3.324 1.00 52.44 H new ATOM 0 HG2 ARG A 136 8.712 11.014 -3.907 1.00 1.22 H new ATOM 0 HG3 ARG A 136 8.298 10.497 -2.284 1.00 1.22 H new ATOM 0 HD2 ARG A 136 10.043 12.880 -2.994 1.00 23.52 H new ATOM 0 HD3 ARG A 136 8.369 12.957 -2.481 1.00 23.52 H new ATOM 0 HE ARG A 136 10.385 11.716 -0.659 1.00 70.13 H new ATOM 0 HH11 ARG A 136 7.981 14.243 -1.333 1.00 50.42 H new ATOM 0 HH12 ARG A 136 8.078 14.915 0.298 1.00 50.42 H new ATOM 0 HH21 ARG A 136 10.519 12.628 1.401 1.00 21.54 H new ATOM 0 HH22 ARG A 136 9.502 14.008 1.829 1.00 21.54 H new ATOM 2022 N ALA A 137 11.809 7.753 -4.865 1.00 24.11 N ATOM 2023 CA ALA A 137 13.064 7.150 -5.218 1.00 72.40 C ATOM 2024 C ALA A 137 13.988 8.236 -5.734 1.00 12.51 C ATOM 2025 O ALA A 137 13.737 8.841 -6.777 1.00 0.35 O ATOM 2026 CB ALA A 137 12.854 6.056 -6.254 1.00 1.04 C ATOM 0 H ALA A 137 11.171 7.885 -5.650 1.00 24.11 H new ATOM 0 HA ALA A 137 13.517 6.681 -4.345 1.00 72.40 H new ATOM 0 HB1 ALA A 137 13.814 5.609 -6.511 1.00 1.04 H new ATOM 0 HB2 ALA A 137 12.195 5.290 -5.846 1.00 1.04 H new ATOM 0 HB3 ALA A 137 12.402 6.484 -7.149 1.00 1.04 H new ATOM 2032 N LEU A 138 15.022 8.508 -4.967 1.00 3.21 N ATOM 2033 CA LEU A 138 15.980 9.543 -5.296 1.00 75.41 C ATOM 2034 C LEU A 138 17.009 8.993 -6.252 1.00 2.02 C ATOM 2035 O LEU A 138 17.372 7.821 -6.173 1.00 40.51 O ATOM 2036 CB LEU A 138 16.665 10.084 -4.035 1.00 34.33 C ATOM 2037 CG LEU A 138 15.729 10.650 -2.962 1.00 74.22 C ATOM 2038 CD1 LEU A 138 16.534 11.204 -1.800 1.00 54.30 C ATOM 2039 CD2 LEU A 138 14.821 11.727 -3.538 1.00 51.32 C ATOM 0 H LEU A 138 15.223 8.017 -4.096 1.00 3.21 H new ATOM 0 HA LEU A 138 15.449 10.369 -5.769 1.00 75.41 H new ATOM 0 HB2 LEU A 138 17.254 9.281 -3.591 1.00 34.33 H new ATOM 0 HB3 LEU A 138 17.364 10.866 -4.331 1.00 34.33 H new ATOM 0 HG LEU A 138 15.100 9.837 -2.600 1.00 74.22 H new ATOM 0 HD11 LEU A 138 15.856 11.603 -1.045 1.00 54.30 H new ATOM 0 HD12 LEU A 138 17.136 10.408 -1.362 1.00 54.30 H new ATOM 0 HD13 LEU A 138 17.188 12.000 -2.157 1.00 54.30 H new ATOM 0 HD21 LEU A 138 14.168 12.110 -2.754 1.00 51.32 H new ATOM 0 HD22 LEU A 138 15.428 12.541 -3.935 1.00 51.32 H new ATOM 0 HD23 LEU A 138 14.216 11.302 -4.339 1.00 51.32 H new