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 119 SER OG : rot 77:sc= 0.0143 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0.0151 USER MOD Set 2.1: A 78 SER OG : rot 46:sc= 0.0207 USER MOD Set 2.2: A 109 THR OG1 : rot 24:sc= 0.228 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0133 K(o=-0.013,f=-3!) 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 180:sc= 0 USER MOD Single : A 68 SER OG : rot 113:sc= 0.729 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 0.215 (180deg=0) USER MOD Single : A 85 SER OG : rot 168:sc= -0.215 USER MOD Single : A 87 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.29) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -160:sc= -0.237 (180deg=-0.758) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 179:sc= 0.977 USER MOD Single : A 112 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.13) USER MOD Single : A 116 TYR OH : rot 6:sc= 0.602 USER MOD Single : A 123 SER OG : rot 180:sc= -0.643 USER MOD Single : A 124 ASN : amide:sc= 0.0929 K(o=0.093,f=-2.9!) USER MOD Single : A 126 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.47) 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 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 83.311 0.380 38.903 1.00 24.21 N ATOM 35 CA ALA A 3 81.984 0.362 38.325 1.00 3.12 C ATOM 36 C ALA A 3 81.673 1.726 37.731 1.00 64.10 C ATOM 37 O ALA A 3 81.547 2.723 38.454 1.00 72.14 O ATOM 38 CB ALA A 3 80.959 -0.034 39.372 1.00 65.54 C ATOM 0 HA ALA A 3 81.942 -0.379 37.527 1.00 3.12 H new ATOM 0 HB1 ALA A 3 79.966 -0.043 38.923 1.00 65.54 H new ATOM 0 HB2 ALA A 3 81.194 -1.027 39.754 1.00 65.54 H new ATOM 0 HB3 ALA A 3 80.980 0.684 40.192 1.00 65.54 H new ATOM 44 N ARG A 4 81.590 1.763 36.409 1.00 14.23 N ATOM 45 CA ARG A 4 81.433 3.003 35.673 1.00 33.33 C ATOM 46 C ARG A 4 80.767 2.731 34.325 1.00 71.23 C ATOM 47 O ARG A 4 81.090 1.742 33.657 1.00 34.43 O ATOM 48 CB ARG A 4 82.817 3.636 35.459 1.00 42.11 C ATOM 49 CG ARG A 4 82.806 5.133 35.183 1.00 34.43 C ATOM 50 CD ARG A 4 82.282 5.932 36.371 1.00 31.02 C ATOM 51 NE ARG A 4 82.941 5.572 37.637 1.00 35.40 N ATOM 52 CZ ARG A 4 83.681 6.411 38.381 1.00 41.02 C ATOM 53 NH1 ARG A 4 83.930 7.658 37.965 1.00 71.21 N ATOM 54 NH2 ARG A 4 84.182 5.989 39.542 1.00 51.04 N ATOM 0 H ARG A 4 81.630 0.932 35.819 1.00 14.23 H new ATOM 0 HA ARG A 4 80.802 3.687 36.240 1.00 33.33 H new ATOM 0 HB2 ARG A 4 83.425 3.450 36.344 1.00 42.11 H new ATOM 0 HB3 ARG A 4 83.305 3.132 34.625 1.00 42.11 H new ATOM 0 HG2 ARG A 4 83.816 5.464 34.941 1.00 34.43 H new ATOM 0 HG3 ARG A 4 82.187 5.335 34.309 1.00 34.43 H new ATOM 0 HD2 ARG A 4 82.428 6.995 36.180 1.00 31.02 H new ATOM 0 HD3 ARG A 4 81.208 5.770 36.467 1.00 31.02 H new ATOM 0 HE ARG A 4 82.828 4.616 37.974 1.00 35.40 H new ATOM 0 HH11 ARG A 4 83.556 7.982 37.073 1.00 71.21 H new ATOM 0 HH12 ARG A 4 84.493 8.284 38.540 1.00 71.21 H new ATOM 0 HH21 ARG A 4 84.002 5.036 39.859 1.00 51.04 H new ATOM 0 HH22 ARG A 4 84.745 6.619 40.114 1.00 51.04 H new ATOM 68 N ASP A 5 79.832 3.596 33.940 1.00 52.20 N ATOM 69 CA ASP A 5 79.213 3.520 32.619 1.00 43.11 C ATOM 70 C ASP A 5 80.069 4.256 31.596 1.00 74.01 C ATOM 71 O ASP A 5 80.925 5.071 31.959 1.00 1.54 O ATOM 72 CB ASP A 5 77.776 4.076 32.630 1.00 51.12 C ATOM 73 CG ASP A 5 77.672 5.554 32.964 1.00 71.12 C ATOM 74 OD1 ASP A 5 77.557 5.891 34.158 1.00 71.53 O ATOM 75 OD2 ASP A 5 77.670 6.381 32.030 1.00 23.03 O ATOM 0 H ASP A 5 79.486 4.358 34.524 1.00 52.20 H new ATOM 0 HA ASP A 5 79.151 2.469 32.337 1.00 43.11 H new ATOM 0 HB2 ASP A 5 77.327 3.906 31.651 1.00 51.12 H new ATOM 0 HB3 ASP A 5 77.188 3.511 33.353 1.00 51.12 H new ATOM 80 N ASN A 6 79.842 3.965 30.320 1.00 63.33 N ATOM 81 CA ASN A 6 80.691 4.494 29.262 1.00 42.31 C ATOM 82 C ASN A 6 79.889 5.335 28.271 1.00 72.24 C ATOM 83 O ASN A 6 78.788 4.943 27.863 1.00 24.11 O ATOM 84 CB ASN A 6 81.420 3.360 28.520 1.00 35.20 C ATOM 85 CG ASN A 6 82.327 2.532 29.422 1.00 24.11 C ATOM 86 OD1 ASN A 6 83.491 2.872 29.633 1.00 34.24 O ATOM 87 ND2 ASN A 6 81.805 1.425 29.935 1.00 14.51 N ATOM 0 H ASN A 6 79.081 3.369 29.995 1.00 63.33 H new ATOM 0 HA ASN A 6 81.433 5.137 29.735 1.00 42.31 H new ATOM 0 HB2 ASN A 6 80.682 2.704 28.059 1.00 35.20 H new ATOM 0 HB3 ASN A 6 82.015 3.787 27.713 1.00 35.20 H new ATOM 0 HD21 ASN A 6 82.373 0.821 30.528 1.00 14.51 H new ATOM 0 HD22 ASN A 6 80.835 1.179 29.736 1.00 14.51 H new ATOM 94 N LYS A 7 80.469 6.504 27.925 1.00 43.13 N ATOM 95 CA LYS A 7 79.974 7.439 26.881 1.00 73.15 C ATOM 96 C LYS A 7 78.740 8.237 27.315 1.00 31.32 C ATOM 97 O LYS A 7 77.679 7.684 27.614 1.00 52.14 O ATOM 98 CB LYS A 7 79.735 6.743 25.518 1.00 30.11 C ATOM 99 CG LYS A 7 80.974 6.647 24.622 1.00 54.53 C ATOM 100 CD LYS A 7 82.061 5.746 25.204 1.00 34.44 C ATOM 101 CE LYS A 7 83.292 5.695 24.315 1.00 65.24 C ATOM 102 NZ LYS A 7 84.359 4.844 24.896 1.00 71.24 N ATOM 0 H LYS A 7 81.321 6.837 28.376 1.00 43.13 H new ATOM 0 HA LYS A 7 80.782 8.158 26.745 1.00 73.15 H new ATOM 0 HB2 LYS A 7 79.357 5.737 25.701 1.00 30.11 H new ATOM 0 HB3 LYS A 7 78.956 7.284 24.981 1.00 30.11 H new ATOM 0 HG2 LYS A 7 80.680 6.267 23.644 1.00 54.53 H new ATOM 0 HG3 LYS A 7 81.382 7.646 24.467 1.00 54.53 H new ATOM 0 HD2 LYS A 7 82.342 6.109 26.193 1.00 34.44 H new ATOM 0 HD3 LYS A 7 81.666 4.739 25.335 1.00 34.44 H new ATOM 0 HE2 LYS A 7 83.015 5.310 23.333 1.00 65.24 H new ATOM 0 HE3 LYS A 7 83.674 6.705 24.166 1.00 65.24 H new ATOM 0 HZ1 LYS A 7 85.181 4.835 24.259 1.00 71.24 H new ATOM 0 HZ2 LYS A 7 84.642 5.225 25.822 1.00 71.24 H new ATOM 0 HZ3 LYS A 7 84.003 3.874 25.015 1.00 71.24 H new ATOM 116 N PHE A 8 78.908 9.556 27.340 1.00 61.33 N ATOM 117 CA PHE A 8 77.849 10.479 27.742 1.00 34.41 C ATOM 118 C PHE A 8 77.094 11.002 26.524 1.00 22.43 C ATOM 119 O PHE A 8 77.702 11.471 25.559 1.00 62.21 O ATOM 120 CB PHE A 8 78.430 11.658 28.539 1.00 32.14 C ATOM 121 CG PHE A 8 78.983 11.282 29.890 1.00 74.44 C ATOM 122 CD1 PHE A 8 78.153 11.233 30.997 1.00 53.12 C ATOM 123 CD2 PHE A 8 80.327 10.986 30.054 1.00 65.40 C ATOM 124 CE1 PHE A 8 78.652 10.895 32.240 1.00 62.45 C ATOM 125 CE2 PHE A 8 80.830 10.647 31.296 1.00 22.34 C ATOM 126 CZ PHE A 8 79.992 10.602 32.388 1.00 23.34 C ATOM 0 H PHE A 8 79.781 10.016 27.082 1.00 61.33 H new ATOM 0 HA PHE A 8 77.153 9.931 28.378 1.00 34.41 H new ATOM 0 HB2 PHE A 8 79.222 12.123 27.952 1.00 32.14 H new ATOM 0 HB3 PHE A 8 77.651 12.409 28.674 1.00 32.14 H new ATOM 0 HD1 PHE A 8 77.103 11.462 30.887 1.00 53.12 H new ATOM 0 HD2 PHE A 8 80.989 11.021 29.201 1.00 65.40 H new ATOM 0 HE1 PHE A 8 77.994 10.860 33.095 1.00 62.45 H new ATOM 0 HE2 PHE A 8 81.879 10.418 31.410 1.00 22.34 H new ATOM 0 HZ PHE A 8 80.383 10.338 33.359 1.00 23.34 H new ATOM 136 N ASN A 9 75.770 10.914 26.583 1.00 62.52 N ATOM 137 CA ASN A 9 74.901 11.374 25.499 1.00 12.33 C ATOM 138 C ASN A 9 74.651 12.874 25.632 1.00 42.22 C ATOM 139 O ASN A 9 74.012 13.326 26.587 1.00 1.20 O ATOM 140 CB ASN A 9 73.573 10.608 25.502 1.00 54.24 C ATOM 141 CG ASN A 9 73.743 9.116 25.261 1.00 63.41 C ATOM 142 OD1 ASN A 9 73.936 8.340 26.196 1.00 74.11 O ATOM 143 ND2 ASN A 9 73.657 8.705 24.007 1.00 63.15 N ATOM 0 H ASN A 9 75.267 10.523 27.380 1.00 62.52 H new ATOM 0 HA ASN A 9 75.400 11.181 24.549 1.00 12.33 H new ATOM 0 HB2 ASN A 9 73.075 10.761 26.459 1.00 54.24 H new ATOM 0 HB3 ASN A 9 72.920 11.022 24.733 1.00 54.24 H new ATOM 0 HD21 ASN A 9 73.751 7.713 23.788 1.00 63.15 H new ATOM 0 HD22 ASN A 9 73.496 9.380 23.259 1.00 63.15 H new ATOM 150 N THR A 10 75.162 13.634 24.676 1.00 63.14 N ATOM 151 CA THR A 10 75.195 15.089 24.774 1.00 33.10 C ATOM 152 C THR A 10 74.147 15.737 23.864 1.00 52.32 C ATOM 153 O THR A 10 74.007 15.349 22.704 1.00 13.45 O ATOM 154 CB THR A 10 76.605 15.600 24.403 1.00 23.44 C ATOM 155 OG1 THR A 10 77.595 14.768 25.030 1.00 4.24 O ATOM 156 CG2 THR A 10 76.810 17.037 24.857 1.00 34.41 C ATOM 0 H THR A 10 75.564 13.265 23.814 1.00 63.14 H new ATOM 0 HA THR A 10 74.960 15.367 25.802 1.00 33.10 H new ATOM 0 HB THR A 10 76.704 15.561 23.318 1.00 23.44 H new ATOM 0 HG1 THR A 10 78.490 15.090 24.794 1.00 4.24 H new ATOM 0 HG21 THR A 10 77.812 17.366 24.581 1.00 34.41 H new ATOM 0 HG22 THR A 10 76.072 17.679 24.377 1.00 34.41 H new ATOM 0 HG23 THR A 10 76.694 17.097 25.939 1.00 34.41 H new ATOM 164 N TRP A 11 73.410 16.710 24.411 1.00 32.03 N ATOM 165 CA TRP A 11 72.417 17.479 23.651 1.00 13.21 C ATOM 166 C TRP A 11 73.111 18.422 22.678 1.00 11.42 C ATOM 167 O TRP A 11 74.027 19.155 23.062 1.00 21.53 O ATOM 168 CB TRP A 11 71.520 18.288 24.593 1.00 4.55 C ATOM 169 CG TRP A 11 70.834 17.459 25.637 1.00 45.11 C ATOM 170 CD1 TRP A 11 71.050 17.498 26.983 1.00 24.31 C ATOM 171 CD2 TRP A 11 69.836 16.456 25.415 1.00 41.02 C ATOM 172 NE1 TRP A 11 70.238 16.590 27.614 1.00 2.34 N ATOM 173 CE2 TRP A 11 69.483 15.937 26.674 1.00 25.25 C ATOM 174 CE3 TRP A 11 69.201 15.951 24.275 1.00 21.21 C ATOM 175 CZ2 TRP A 11 68.527 14.937 26.821 1.00 11.03 C ATOM 176 CZ3 TRP A 11 68.258 14.960 24.426 1.00 51.45 C ATOM 177 CH2 TRP A 11 67.926 14.462 25.689 1.00 4.54 C ATOM 0 H TRP A 11 73.484 16.986 25.390 1.00 32.03 H new ATOM 0 HA TRP A 11 71.800 16.775 23.094 1.00 13.21 H new ATOM 0 HB2 TRP A 11 72.122 19.051 25.086 1.00 4.55 H new ATOM 0 HB3 TRP A 11 70.766 18.809 24.003 1.00 4.55 H new ATOM 0 HD1 TRP A 11 71.756 18.148 27.479 1.00 24.31 H new ATOM 0 HE1 TRP A 11 70.202 16.427 28.620 1.00 2.34 H new ATOM 0 HE3 TRP A 11 69.446 16.332 23.295 1.00 21.21 H new ATOM 0 HZ2 TRP A 11 68.269 14.550 27.795 1.00 11.03 H new ATOM 0 HZ3 TRP A 11 67.765 14.560 23.552 1.00 51.45 H new ATOM 0 HH2 TRP A 11 67.179 13.686 25.772 1.00 4.54 H new ATOM 188 N ASN A 12 72.677 18.401 21.426 1.00 63.04 N ATOM 189 CA ASN A 12 73.367 19.129 20.373 1.00 2.52 C ATOM 190 C ASN A 12 72.525 20.291 19.826 1.00 10.12 C ATOM 191 O ASN A 12 72.842 21.455 20.080 1.00 33.40 O ATOM 192 CB ASN A 12 73.783 18.157 19.254 1.00 20.34 C ATOM 193 CG ASN A 12 74.624 18.809 18.166 1.00 21.34 C ATOM 194 OD1 ASN A 12 74.107 19.245 17.140 1.00 42.11 O ATOM 195 ND2 ASN A 12 75.928 18.878 18.388 1.00 21.32 N ATOM 0 H ASN A 12 71.852 17.888 21.116 1.00 63.04 H new ATOM 0 HA ASN A 12 74.264 19.576 20.801 1.00 2.52 H new ATOM 0 HB2 ASN A 12 74.345 17.331 19.691 1.00 20.34 H new ATOM 0 HB3 ASN A 12 72.887 17.730 18.803 1.00 20.34 H new ATOM 0 HD21 ASN A 12 76.542 19.305 17.694 1.00 21.32 H new ATOM 0 HD22 ASN A 12 76.319 18.504 19.253 1.00 21.32 H new ATOM 202 N ASP A 13 71.445 19.988 19.106 1.00 4.22 N ATOM 203 CA ASP A 13 70.723 21.020 18.359 1.00 74.55 C ATOM 204 C ASP A 13 69.258 21.111 18.802 1.00 62.40 C ATOM 205 O ASP A 13 68.521 20.120 18.763 1.00 73.23 O ATOM 206 CB ASP A 13 70.815 20.715 16.856 1.00 34.11 C ATOM 207 CG ASP A 13 70.524 21.915 15.966 1.00 50.24 C ATOM 208 OD1 ASP A 13 69.397 22.433 16.002 1.00 74.24 O ATOM 209 OD2 ASP A 13 71.427 22.341 15.214 1.00 55.35 O ATOM 0 H ASP A 13 71.054 19.050 19.024 1.00 4.22 H new ATOM 0 HA ASP A 13 71.184 21.986 18.564 1.00 74.55 H new ATOM 0 HB2 ASP A 13 71.814 20.342 16.631 1.00 34.11 H new ATOM 0 HB3 ASP A 13 70.114 19.916 16.613 1.00 34.11 H new ATOM 214 N SER A 14 68.854 22.307 19.234 1.00 21.43 N ATOM 215 CA SER A 14 67.466 22.576 19.606 1.00 2.13 C ATOM 216 C SER A 14 66.963 23.852 18.917 1.00 32.53 C ATOM 217 O SER A 14 67.544 24.929 19.078 1.00 13.11 O ATOM 218 CB SER A 14 67.333 22.708 21.130 1.00 42.32 C ATOM 219 OG SER A 14 67.722 21.508 21.795 1.00 41.43 O ATOM 0 H SER A 14 69.475 23.110 19.335 1.00 21.43 H new ATOM 0 HA SER A 14 66.854 21.737 19.275 1.00 2.13 H new ATOM 0 HB2 SER A 14 67.950 23.535 21.480 1.00 42.32 H new ATOM 0 HB3 SER A 14 66.301 22.949 21.387 1.00 42.32 H new ATOM 0 HG SER A 14 67.627 21.625 22.763 1.00 41.43 H new ATOM 225 N ARG A 15 65.893 23.710 18.121 1.00 34.41 N ATOM 226 CA ARG A 15 65.286 24.835 17.387 1.00 35.50 C ATOM 227 C ARG A 15 63.769 24.807 17.557 1.00 2.44 C ATOM 228 O ARG A 15 63.175 23.727 17.592 1.00 74.12 O ATOM 229 CB ARG A 15 65.625 24.771 15.884 1.00 31.25 C ATOM 230 CG ARG A 15 67.110 24.852 15.583 1.00 21.23 C ATOM 231 CD ARG A 15 67.412 24.710 14.101 1.00 33.10 C ATOM 232 NE ARG A 15 68.794 24.275 13.893 1.00 43.51 N ATOM 233 CZ ARG A 15 69.510 24.450 12.781 1.00 60.23 C ATOM 234 NH1 ARG A 15 69.045 25.175 11.771 1.00 72.33 N ATOM 235 NH2 ARG A 15 70.715 23.904 12.698 1.00 32.21 N ATOM 0 H ARG A 15 65.424 22.817 17.967 1.00 34.41 H new ATOM 0 HA ARG A 15 65.693 25.759 17.797 1.00 35.50 H new ATOM 0 HB2 ARG A 15 65.231 23.842 15.472 1.00 31.25 H new ATOM 0 HB3 ARG A 15 65.116 25.587 15.372 1.00 31.25 H new ATOM 0 HG2 ARG A 15 67.498 25.806 15.940 1.00 21.23 H new ATOM 0 HG3 ARG A 15 67.632 24.069 16.133 1.00 21.23 H new ATOM 0 HD2 ARG A 15 66.728 23.990 13.653 1.00 33.10 H new ATOM 0 HD3 ARG A 15 67.246 25.663 13.598 1.00 33.10 H new ATOM 0 HE ARG A 15 69.251 23.795 14.668 1.00 43.51 H new ATOM 0 HH11 ARG A 15 68.125 25.610 11.837 1.00 72.33 H new ATOM 0 HH12 ARG A 15 69.608 25.297 10.929 1.00 72.33 H new ATOM 0 HH21 ARG A 15 71.083 23.359 13.478 1.00 32.21 H new ATOM 0 HH22 ARG A 15 71.274 24.029 11.854 1.00 32.21 H new ATOM 249 N GLY A 16 63.145 25.980 17.663 1.00 14.12 N ATOM 250 CA GLY A 16 61.695 26.043 17.788 1.00 72.43 C ATOM 251 C GLY A 16 61.162 27.452 17.958 1.00 61.12 C ATOM 252 O GLY A 16 60.970 27.910 19.087 1.00 1.03 O ATOM 0 H GLY A 16 63.615 26.885 17.665 1.00 14.12 H new ATOM 0 HA2 GLY A 16 61.242 25.597 16.903 1.00 72.43 H new ATOM 0 HA3 GLY A 16 61.386 25.441 18.642 1.00 72.43 H new ATOM 256 N ASN A 17 60.921 28.141 16.845 1.00 53.03 N ATOM 257 CA ASN A 17 60.302 29.464 16.881 1.00 34.31 C ATOM 258 C ASN A 17 58.948 29.432 16.174 1.00 24.12 C ATOM 259 O ASN A 17 58.853 29.267 14.957 1.00 35.52 O ATOM 260 CB ASN A 17 61.227 30.576 16.317 1.00 51.20 C ATOM 261 CG ASN A 17 61.651 30.433 14.849 1.00 21.44 C ATOM 262 OD1 ASN A 17 61.821 29.329 14.323 1.00 40.42 O ATOM 263 ND2 ASN A 17 61.823 31.566 14.179 1.00 62.34 N ATOM 0 H ASN A 17 61.145 27.806 15.908 1.00 53.03 H new ATOM 0 HA ASN A 17 60.138 29.722 17.927 1.00 34.31 H new ATOM 0 HB2 ASN A 17 60.720 31.534 16.434 1.00 51.20 H new ATOM 0 HB3 ASN A 17 62.127 30.615 16.930 1.00 51.20 H new ATOM 0 HD21 ASN A 17 62.104 31.541 13.199 1.00 62.34 H new ATOM 0 HD22 ASN A 17 61.674 32.461 14.644 1.00 62.34 H new ATOM 270 N TYR A 18 57.893 29.549 16.969 1.00 12.42 N ATOM 271 CA TYR A 18 56.530 29.414 16.470 1.00 51.54 C ATOM 272 C TYR A 18 55.769 30.712 16.684 1.00 61.11 C ATOM 273 O TYR A 18 56.164 31.544 17.505 1.00 73.52 O ATOM 274 CB TYR A 18 55.812 28.250 17.169 1.00 34.21 C ATOM 275 CG TYR A 18 56.571 26.939 17.103 1.00 54.10 C ATOM 276 CD1 TYR A 18 56.571 26.171 15.948 1.00 60.44 C ATOM 277 CD2 TYR A 18 57.300 26.482 18.195 1.00 41.13 C ATOM 278 CE1 TYR A 18 57.274 24.980 15.885 1.00 52.22 C ATOM 279 CE2 TYR A 18 58.006 25.297 18.138 1.00 54.31 C ATOM 280 CZ TYR A 18 57.991 24.549 16.984 1.00 4.42 C ATOM 281 OH TYR A 18 58.700 23.366 16.924 1.00 4.10 O ATOM 0 H TYR A 18 57.956 29.738 17.969 1.00 12.42 H new ATOM 0 HA TYR A 18 56.568 29.199 15.402 1.00 51.54 H new ATOM 0 HB2 TYR A 18 55.646 28.512 18.214 1.00 34.21 H new ATOM 0 HB3 TYR A 18 54.830 28.115 16.715 1.00 34.21 H new ATOM 0 HD1 TYR A 18 56.015 26.507 15.085 1.00 60.44 H new ATOM 0 HD2 TYR A 18 57.314 27.065 19.104 1.00 41.13 H new ATOM 0 HE1 TYR A 18 57.262 24.390 14.980 1.00 52.22 H new ATOM 0 HE2 TYR A 18 58.568 24.959 18.996 1.00 54.31 H new ATOM 0 HH TYR A 18 59.149 23.210 17.781 1.00 4.10 H new ATOM 291 N TRP A 19 54.688 30.895 15.941 1.00 64.14 N ATOM 292 CA TRP A 19 53.998 32.178 15.910 1.00 55.53 C ATOM 293 C TRP A 19 52.527 32.008 16.256 1.00 42.01 C ATOM 294 O TRP A 19 51.738 31.493 15.457 1.00 31.43 O ATOM 295 CB TRP A 19 54.175 32.843 14.533 1.00 3.23 C ATOM 296 CG TRP A 19 55.619 32.966 14.128 1.00 22.52 C ATOM 297 CD1 TRP A 19 56.289 32.183 13.230 1.00 1.25 C ATOM 298 CD2 TRP A 19 56.583 33.889 14.652 1.00 64.43 C ATOM 299 NE1 TRP A 19 57.601 32.574 13.148 1.00 43.10 N ATOM 300 CE2 TRP A 19 57.807 33.619 14.007 1.00 23.40 C ATOM 301 CE3 TRP A 19 56.530 34.925 15.591 1.00 64.52 C ATOM 302 CZ2 TRP A 19 58.965 34.340 14.281 1.00 21.32 C ATOM 303 CZ3 TRP A 19 57.681 35.640 15.860 1.00 73.33 C ATOM 304 CH2 TRP A 19 58.883 35.345 15.206 1.00 24.41 C ATOM 0 H TRP A 19 54.270 30.174 15.353 1.00 64.14 H new ATOM 0 HA TRP A 19 54.440 32.831 16.663 1.00 55.53 H new ATOM 0 HB2 TRP A 19 53.640 32.262 13.782 1.00 3.23 H new ATOM 0 HB3 TRP A 19 53.722 33.834 14.552 1.00 3.23 H new ATOM 0 HD1 TRP A 19 55.849 31.374 12.667 1.00 1.25 H new ATOM 0 HE1 TRP A 19 58.308 32.154 12.545 1.00 43.10 H new ATOM 0 HE3 TRP A 19 55.605 35.162 16.097 1.00 64.52 H new ATOM 0 HZ2 TRP A 19 59.896 34.114 13.781 1.00 21.32 H new ATOM 0 HZ3 TRP A 19 57.653 36.439 16.586 1.00 73.33 H new ATOM 0 HH2 TRP A 19 59.765 35.924 15.437 1.00 24.41 H new ATOM 315 N SER A 20 52.178 32.409 17.471 1.00 54.02 N ATOM 316 CA SER A 20 50.812 32.291 17.958 1.00 44.34 C ATOM 317 C SER A 20 50.091 33.631 17.829 1.00 63.13 C ATOM 318 O SER A 20 50.413 34.601 18.520 1.00 2.10 O ATOM 319 CB SER A 20 50.808 31.809 19.413 1.00 61.35 C ATOM 320 OG SER A 20 51.589 30.631 19.562 1.00 41.11 O ATOM 0 H SER A 20 52.828 32.821 18.141 1.00 54.02 H new ATOM 0 HA SER A 20 50.282 31.556 17.353 1.00 44.34 H new ATOM 0 HB2 SER A 20 51.200 32.593 20.061 1.00 61.35 H new ATOM 0 HB3 SER A 20 49.784 31.614 19.732 1.00 61.35 H new ATOM 0 HG SER A 20 51.572 30.344 20.499 1.00 41.11 H new ATOM 326 N ASP A 21 49.137 33.677 16.914 1.00 40.34 N ATOM 327 CA ASP A 21 48.348 34.874 16.653 1.00 11.41 C ATOM 328 C ASP A 21 47.082 34.889 17.507 1.00 73.41 C ATOM 329 O ASP A 21 46.690 33.863 18.069 1.00 5.24 O ATOM 330 CB ASP A 21 48.002 34.960 15.158 1.00 73.01 C ATOM 331 CG ASP A 21 47.345 33.704 14.603 1.00 64.53 C ATOM 332 OD1 ASP A 21 48.069 32.744 14.268 1.00 45.41 O ATOM 333 OD2 ASP A 21 46.108 33.678 14.479 1.00 70.24 O ATOM 0 H ASP A 21 48.885 32.882 16.327 1.00 40.34 H new ATOM 0 HA ASP A 21 48.941 35.748 16.924 1.00 11.41 H new ATOM 0 HB2 ASP A 21 47.336 35.808 14.998 1.00 73.01 H new ATOM 0 HB3 ASP A 21 48.914 35.160 14.595 1.00 73.01 H new ATOM 338 N TYR A 22 46.447 36.052 17.606 1.00 72.15 N ATOM 339 CA TYR A 22 45.254 36.207 18.428 1.00 3.21 C ATOM 340 C TYR A 22 44.180 37.008 17.690 1.00 23.13 C ATOM 341 O TYR A 22 44.492 37.902 16.898 1.00 53.44 O ATOM 342 CB TYR A 22 45.595 36.879 19.787 1.00 71.12 C ATOM 343 CG TYR A 22 45.911 38.371 19.722 1.00 22.13 C ATOM 344 CD1 TYR A 22 47.162 38.831 19.334 1.00 21.22 C ATOM 345 CD2 TYR A 22 44.943 39.316 20.051 1.00 31.24 C ATOM 346 CE1 TYR A 22 47.438 40.186 19.267 1.00 64.15 C ATOM 347 CE2 TYR A 22 45.210 40.671 19.988 1.00 33.44 C ATOM 348 CZ TYR A 22 46.460 41.105 19.595 1.00 41.11 C ATOM 349 OH TYR A 22 46.734 42.456 19.523 1.00 34.42 O ATOM 0 H TYR A 22 46.740 36.903 17.126 1.00 72.15 H new ATOM 0 HA TYR A 22 44.860 35.211 18.630 1.00 3.21 H new ATOM 0 HB2 TYR A 22 44.755 36.733 20.466 1.00 71.12 H new ATOM 0 HB3 TYR A 22 46.450 36.363 20.223 1.00 71.12 H new ATOM 0 HD1 TYR A 22 47.934 38.119 19.080 1.00 21.22 H new ATOM 0 HD2 TYR A 22 43.963 38.984 20.362 1.00 31.24 H new ATOM 0 HE1 TYR A 22 48.416 40.524 18.959 1.00 64.15 H new ATOM 0 HE2 TYR A 22 44.444 41.387 20.245 1.00 33.44 H new ATOM 0 HH TYR A 22 45.939 42.965 19.785 1.00 34.42 H new ATOM 848 N PRO A 59 -20.865 -2.161 14.715 1.00 44.24 N ATOM 849 CA PRO A 59 -19.787 -2.997 14.186 1.00 64.04 C ATOM 850 C PRO A 59 -18.593 -2.163 13.703 1.00 13.03 C ATOM 851 O PRO A 59 -18.759 -1.043 13.207 1.00 5.15 O ATOM 852 CB PRO A 59 -20.450 -3.756 13.037 1.00 40.11 C ATOM 853 CG PRO A 59 -21.584 -2.895 12.591 1.00 62.04 C ATOM 854 CD PRO A 59 -22.010 -2.073 13.779 1.00 24.33 C ATOM 0 HA PRO A 59 -19.366 -3.660 14.942 1.00 64.04 H new ATOM 0 HB2 PRO A 59 -19.746 -3.929 12.223 1.00 40.11 H new ATOM 0 HB3 PRO A 59 -20.805 -4.733 13.365 1.00 40.11 H new ATOM 0 HG2 PRO A 59 -21.278 -2.251 11.767 1.00 62.04 H new ATOM 0 HG3 PRO A 59 -22.411 -3.505 12.228 1.00 62.04 H new ATOM 0 HD2 PRO A 59 -22.214 -1.040 13.496 1.00 24.33 H new ATOM 0 HD3 PRO A 59 -22.922 -2.466 14.228 1.00 24.33 H new ATOM 862 N VAL A 60 -17.397 -2.720 13.848 1.00 61.14 N ATOM 863 CA VAL A 60 -16.167 -1.968 13.635 1.00 52.15 C ATOM 864 C VAL A 60 -15.746 -1.942 12.149 1.00 24.32 C ATOM 865 O VAL A 60 -15.724 -2.970 11.460 1.00 62.22 O ATOM 866 CB VAL A 60 -15.035 -2.496 14.571 1.00 63.21 C ATOM 867 CG1 VAL A 60 -14.651 -3.945 14.280 1.00 1.32 C ATOM 868 CG2 VAL A 60 -13.817 -1.591 14.536 1.00 45.34 C ATOM 0 H VAL A 60 -17.253 -3.694 14.113 1.00 61.14 H new ATOM 0 HA VAL A 60 -16.358 -0.929 13.903 1.00 52.15 H new ATOM 0 HB VAL A 60 -15.443 -2.478 15.581 1.00 63.21 H new ATOM 0 HG11 VAL A 60 -13.860 -4.256 14.962 1.00 1.32 H new ATOM 0 HG12 VAL A 60 -15.521 -4.587 14.417 1.00 1.32 H new ATOM 0 HG13 VAL A 60 -14.297 -4.028 13.252 1.00 1.32 H new ATOM 0 HG21 VAL A 60 -13.049 -1.989 15.199 1.00 45.34 H new ATOM 0 HG22 VAL A 60 -13.429 -1.543 13.519 1.00 45.34 H new ATOM 0 HG23 VAL A 60 -14.098 -0.590 14.865 1.00 45.34 H new ATOM 878 N LEU A 61 -15.472 -0.732 11.662 1.00 4.02 N ATOM 879 CA LEU A 61 -15.038 -0.506 10.286 1.00 73.04 C ATOM 880 C LEU A 61 -13.505 -0.669 10.166 1.00 65.23 C ATOM 881 O LEU A 61 -12.801 -0.554 11.174 1.00 75.42 O ATOM 882 CB LEU A 61 -15.557 0.864 9.717 1.00 60.52 C ATOM 883 CG LEU A 61 -15.474 2.191 10.542 1.00 13.11 C ATOM 884 CD1 LEU A 61 -16.477 2.236 11.686 1.00 34.13 C ATOM 885 CD2 LEU A 61 -14.077 2.482 11.058 1.00 31.20 C ATOM 0 H LEU A 61 -15.546 0.122 12.215 1.00 4.02 H new ATOM 0 HA LEU A 61 -15.493 -1.271 9.657 1.00 73.04 H new ATOM 0 HB2 LEU A 61 -15.021 1.040 8.784 1.00 60.52 H new ATOM 0 HB3 LEU A 61 -16.606 0.720 9.459 1.00 60.52 H new ATOM 0 HG LEU A 61 -15.736 2.977 9.834 1.00 13.11 H new ATOM 0 HD11 LEU A 61 -16.374 3.179 12.223 1.00 34.13 H new ATOM 0 HD12 LEU A 61 -17.488 2.154 11.287 1.00 34.13 H new ATOM 0 HD13 LEU A 61 -16.288 1.407 12.368 1.00 34.13 H new ATOM 0 HD21 LEU A 61 -14.084 3.415 11.622 1.00 31.20 H new ATOM 0 HD22 LEU A 61 -13.752 1.668 11.707 1.00 31.20 H new ATOM 0 HD23 LEU A 61 -13.390 2.572 10.217 1.00 31.20 H new ATOM 897 N PRO A 62 -12.956 -0.975 8.954 1.00 35.34 N ATOM 898 CA PRO A 62 -11.522 -1.275 8.786 1.00 13.14 C ATOM 899 C PRO A 62 -10.615 -0.048 8.863 1.00 12.32 C ATOM 900 O PRO A 62 -11.079 1.093 8.976 1.00 11.45 O ATOM 901 CB PRO A 62 -11.455 -1.887 7.386 1.00 4.01 C ATOM 902 CG PRO A 62 -12.568 -1.240 6.653 1.00 61.33 C ATOM 903 CD PRO A 62 -13.669 -1.062 7.659 1.00 70.51 C ATOM 0 HA PRO A 62 -11.165 -1.922 9.587 1.00 13.14 H new ATOM 0 HB2 PRO A 62 -10.495 -1.687 6.910 1.00 4.01 H new ATOM 0 HB3 PRO A 62 -11.576 -2.970 7.418 1.00 4.01 H new ATOM 0 HG2 PRO A 62 -12.258 -0.281 6.238 1.00 61.33 H new ATOM 0 HG3 PRO A 62 -12.897 -1.857 5.817 1.00 61.33 H new ATOM 0 HD2 PRO A 62 -14.250 -0.161 7.461 1.00 70.51 H new ATOM 0 HD3 PRO A 62 -14.366 -1.900 7.642 1.00 70.51 H new ATOM 911 N THR A 63 -9.320 -0.298 8.804 1.00 35.21 N ATOM 912 CA THR A 63 -8.346 0.755 8.794 1.00 42.03 C ATOM 913 C THR A 63 -7.175 0.344 7.906 1.00 4.04 C ATOM 914 O THR A 63 -6.618 -0.761 8.036 1.00 40.05 O ATOM 915 CB THR A 63 -7.908 1.152 10.239 1.00 14.34 C ATOM 916 OG1 THR A 63 -7.296 2.448 10.231 1.00 71.04 O ATOM 917 CG2 THR A 63 -6.959 0.171 10.902 1.00 73.03 C ATOM 0 H THR A 63 -8.924 -1.237 8.762 1.00 35.21 H new ATOM 0 HA THR A 63 -8.790 1.657 8.372 1.00 42.03 H new ATOM 0 HB THR A 63 -8.826 1.148 10.827 1.00 14.34 H new ATOM 0 HG1 THR A 63 -7.027 2.688 11.142 1.00 71.04 H new ATOM 0 HG21 THR A 63 -6.708 0.526 11.901 1.00 73.03 H new ATOM 0 HG22 THR A 63 -7.437 -0.806 10.974 1.00 73.03 H new ATOM 0 HG23 THR A 63 -6.049 0.087 10.308 1.00 73.03 H new ATOM 925 N ALA A 64 -6.876 1.193 6.938 1.00 50.14 N ATOM 926 CA ALA A 64 -5.795 0.938 6.014 1.00 13.12 C ATOM 927 C ALA A 64 -4.491 1.442 6.589 1.00 15.53 C ATOM 928 O ALA A 64 -4.220 2.644 6.626 1.00 41.21 O ATOM 929 CB ALA A 64 -6.081 1.567 4.671 1.00 64.24 C ATOM 0 H ALA A 64 -7.373 2.069 6.775 1.00 50.14 H new ATOM 0 HA ALA A 64 -5.708 -0.138 5.862 1.00 13.12 H new ATOM 0 HB1 ALA A 64 -5.255 1.363 3.990 1.00 64.24 H new ATOM 0 HB2 ALA A 64 -7.000 1.148 4.261 1.00 64.24 H new ATOM 0 HB3 ALA A 64 -6.195 2.644 4.791 1.00 64.24 H new ATOM 935 N ARG A 65 -3.702 0.503 7.063 1.00 20.13 N ATOM 936 CA ARG A 65 -2.427 0.794 7.669 1.00 23.13 C ATOM 937 C ARG A 65 -1.401 -0.089 7.008 1.00 30.54 C ATOM 938 O ARG A 65 -1.640 -1.280 6.825 1.00 40.20 O ATOM 939 CB ARG A 65 -2.461 0.538 9.182 1.00 33.12 C ATOM 940 CG ARG A 65 -3.316 1.526 9.964 1.00 53.52 C ATOM 941 CD ARG A 65 -3.446 1.127 11.427 1.00 42.24 C ATOM 942 NE ARG A 65 -2.158 1.085 12.129 1.00 12.12 N ATOM 943 CZ ARG A 65 -1.996 0.666 13.390 1.00 2.14 C ATOM 944 NH1 ARG A 65 -3.042 0.269 14.114 1.00 14.21 N ATOM 945 NH2 ARG A 65 -0.785 0.661 13.931 1.00 42.44 N ATOM 0 H ARG A 65 -3.931 -0.491 7.037 1.00 20.13 H new ATOM 0 HA ARG A 65 -2.178 1.846 7.530 1.00 23.13 H new ATOM 0 HB2 ARG A 65 -2.836 -0.470 9.360 1.00 33.12 H new ATOM 0 HB3 ARG A 65 -1.442 0.572 9.568 1.00 33.12 H new ATOM 0 HG2 ARG A 65 -2.876 2.521 9.896 1.00 53.52 H new ATOM 0 HG3 ARG A 65 -4.307 1.585 9.514 1.00 53.52 H new ATOM 0 HD2 ARG A 65 -4.106 1.832 11.932 1.00 42.24 H new ATOM 0 HD3 ARG A 65 -3.919 0.147 11.489 1.00 42.24 H new ATOM 0 HE ARG A 65 -1.330 1.396 11.622 1.00 12.12 H new ATOM 0 HH11 ARG A 65 -3.978 0.282 13.708 1.00 14.21 H new ATOM 0 HH12 ARG A 65 -2.907 -0.048 15.074 1.00 14.21 H new ATOM 0 HH21 ARG A 65 0.018 0.976 13.387 1.00 42.44 H new ATOM 0 HH22 ARG A 65 -0.657 0.343 14.892 1.00 42.44 H new ATOM 959 N PHE A 66 -0.305 0.501 6.579 1.00 23.21 N ATOM 960 CA PHE A 66 0.758 -0.240 5.930 1.00 63.45 C ATOM 961 C PHE A 66 2.056 0.541 5.996 1.00 43.41 C ATOM 962 O PHE A 66 2.048 1.766 6.137 1.00 51.51 O ATOM 963 CB PHE A 66 0.409 -0.612 4.461 1.00 41.25 C ATOM 964 CG PHE A 66 0.218 0.540 3.496 1.00 33.54 C ATOM 965 CD1 PHE A 66 -0.843 1.426 3.627 1.00 35.01 C ATOM 966 CD2 PHE A 66 1.096 0.714 2.440 1.00 5.11 C ATOM 967 CE1 PHE A 66 -1.015 2.457 2.733 1.00 52.25 C ATOM 968 CE2 PHE A 66 0.920 1.743 1.539 1.00 73.22 C ATOM 969 CZ PHE A 66 -0.137 2.614 1.688 1.00 13.03 C ATOM 0 H PHE A 66 -0.126 1.501 6.669 1.00 23.21 H new ATOM 0 HA PHE A 66 0.880 -1.179 6.471 1.00 63.45 H new ATOM 0 HB2 PHE A 66 1.202 -1.252 4.074 1.00 41.25 H new ATOM 0 HB3 PHE A 66 -0.505 -1.206 4.468 1.00 41.25 H new ATOM 0 HD1 PHE A 66 -1.542 1.304 4.441 1.00 35.01 H new ATOM 0 HD2 PHE A 66 1.928 0.036 2.320 1.00 5.11 H new ATOM 0 HE1 PHE A 66 -1.840 3.143 2.853 1.00 52.25 H new ATOM 0 HE2 PHE A 66 1.610 1.866 0.717 1.00 73.22 H new ATOM 0 HZ PHE A 66 -0.275 3.420 0.983 1.00 13.03 H new ATOM 979 N THR A 67 3.155 -0.176 5.912 1.00 71.13 N ATOM 980 CA THR A 67 4.459 0.423 5.828 1.00 15.10 C ATOM 981 C THR A 67 5.254 -0.282 4.733 1.00 74.33 C ATOM 982 O THR A 67 5.230 -1.511 4.609 1.00 74.42 O ATOM 983 CB THR A 67 5.208 0.405 7.202 1.00 70.35 C ATOM 984 OG1 THR A 67 6.502 1.011 7.082 1.00 73.12 O ATOM 985 CG2 THR A 67 5.361 -1.001 7.786 1.00 22.44 C ATOM 0 H THR A 67 3.164 -1.196 5.900 1.00 71.13 H new ATOM 0 HA THR A 67 4.350 1.476 5.569 1.00 15.10 H new ATOM 0 HB THR A 67 4.587 0.980 7.889 1.00 70.35 H new ATOM 0 HG1 THR A 67 6.954 0.992 7.951 1.00 73.12 H new ATOM 0 HG21 THR A 67 5.888 -0.944 8.738 1.00 22.44 H new ATOM 0 HG22 THR A 67 4.375 -1.439 7.943 1.00 22.44 H new ATOM 0 HG23 THR A 67 5.929 -1.623 7.094 1.00 22.44 H new ATOM 993 N SER A 68 5.902 0.503 3.904 1.00 11.44 N ATOM 994 CA SER A 68 6.795 -0.027 2.896 1.00 5.04 C ATOM 995 C SER A 68 8.165 -0.251 3.530 1.00 52.23 C ATOM 996 O SER A 68 8.420 0.241 4.636 1.00 71.22 O ATOM 997 CB SER A 68 6.868 0.949 1.721 1.00 74.10 C ATOM 998 OG SER A 68 7.124 2.269 2.174 1.00 53.45 O ATOM 0 H SER A 68 5.827 1.520 3.907 1.00 11.44 H new ATOM 0 HA SER A 68 6.430 -0.980 2.514 1.00 5.04 H new ATOM 0 HB2 SER A 68 7.654 0.638 1.033 1.00 74.10 H new ATOM 0 HB3 SER A 68 5.930 0.926 1.166 1.00 74.10 H new ATOM 0 HG SER A 68 8.013 2.552 1.872 1.00 53.45 H new ATOM 1004 N ASP A 69 9.034 -1.011 2.865 1.00 63.21 N ATOM 1005 CA ASP A 69 10.365 -1.284 3.404 1.00 12.01 C ATOM 1006 C ASP A 69 11.203 -0.005 3.380 1.00 60.33 C ATOM 1007 O ASP A 69 11.728 0.416 4.413 1.00 61.40 O ATOM 1008 CB ASP A 69 11.052 -2.414 2.635 1.00 41.13 C ATOM 1009 CG ASP A 69 12.081 -3.110 3.488 1.00 11.04 C ATOM 1010 OD1 ASP A 69 11.674 -3.870 4.394 1.00 71.41 O ATOM 1011 OD2 ASP A 69 13.286 -2.882 3.282 1.00 20.03 O ATOM 0 H ASP A 69 8.843 -1.445 1.962 1.00 63.21 H new ATOM 0 HA ASP A 69 10.264 -1.615 4.438 1.00 12.01 H new ATOM 0 HB2 ASP A 69 10.306 -3.135 2.300 1.00 41.13 H new ATOM 0 HB3 ASP A 69 11.529 -2.011 1.742 1.00 41.13 H new ATOM 1016 N ILE A 70 11.291 0.629 2.214 1.00 73.34 N ATOM 1017 CA ILE A 70 11.775 2.000 2.137 1.00 74.11 C ATOM 1018 C ILE A 70 10.609 2.944 1.864 1.00 60.45 C ATOM 1019 O ILE A 70 9.751 2.666 1.025 1.00 45.54 O ATOM 1020 CB ILE A 70 12.918 2.215 1.088 1.00 64.24 C ATOM 1021 CG1 ILE A 70 12.587 1.620 -0.297 1.00 51.32 C ATOM 1022 CG2 ILE A 70 14.227 1.639 1.606 1.00 4.42 C ATOM 1023 CD1 ILE A 70 12.162 2.646 -1.336 1.00 72.22 C ATOM 0 H ILE A 70 11.035 0.217 1.317 1.00 73.34 H new ATOM 0 HA ILE A 70 12.222 2.225 3.105 1.00 74.11 H new ATOM 0 HB ILE A 70 13.018 3.292 0.953 1.00 64.24 H new ATOM 0 HG12 ILE A 70 13.462 1.086 -0.668 1.00 51.32 H new ATOM 0 HG13 ILE A 70 11.790 0.885 -0.182 1.00 51.32 H new ATOM 0 HG21 ILE A 70 15.012 1.796 0.866 1.00 4.42 H new ATOM 0 HG22 ILE A 70 14.501 2.137 2.536 1.00 4.42 H new ATOM 0 HG23 ILE A 70 14.108 0.571 1.787 1.00 4.42 H new ATOM 0 HD11 ILE A 70 11.949 2.142 -2.279 1.00 72.22 H new ATOM 0 HD12 ILE A 70 11.267 3.164 -0.991 1.00 72.22 H new ATOM 0 HD13 ILE A 70 12.965 3.368 -1.484 1.00 72.22 H new ATOM 1035 N THR A 71 10.565 4.040 2.600 1.00 42.52 N ATOM 1036 CA THR A 71 9.563 5.075 2.386 1.00 33.04 C ATOM 1037 C THR A 71 10.117 6.123 1.427 1.00 62.21 C ATOM 1038 O THR A 71 9.389 6.719 0.632 1.00 74.53 O ATOM 1039 CB THR A 71 9.160 5.748 3.717 1.00 35.22 C ATOM 1040 OG1 THR A 71 10.331 6.058 4.487 1.00 70.13 O ATOM 1041 CG2 THR A 71 8.233 4.854 4.528 1.00 73.44 C ATOM 0 H THR A 71 11.217 4.239 3.359 1.00 42.52 H new ATOM 0 HA THR A 71 8.674 4.611 1.959 1.00 33.04 H new ATOM 0 HB THR A 71 8.627 6.669 3.480 1.00 35.22 H new ATOM 0 HG1 THR A 71 10.066 6.486 5.328 1.00 70.13 H new ATOM 0 HG21 THR A 71 7.967 5.355 5.459 1.00 73.44 H new ATOM 0 HG22 THR A 71 7.329 4.651 3.954 1.00 73.44 H new ATOM 0 HG23 THR A 71 8.738 3.915 4.753 1.00 73.44 H new ATOM 1049 N GLU A 72 11.433 6.281 1.494 1.00 43.33 N ATOM 1050 CA GLU A 72 12.165 7.265 0.731 1.00 43.04 C ATOM 1051 C GLU A 72 13.601 6.768 0.612 1.00 42.32 C ATOM 1052 O GLU A 72 14.133 6.172 1.555 1.00 61.12 O ATOM 1053 CB GLU A 72 12.118 8.631 1.430 1.00 33.54 C ATOM 1054 CG GLU A 72 12.655 9.793 0.595 1.00 5.11 C ATOM 1055 CD GLU A 72 12.726 11.081 1.386 1.00 20.34 C ATOM 1056 OE1 GLU A 72 11.701 11.789 1.473 1.00 23.23 O ATOM 1057 OE2 GLU A 72 13.804 11.391 1.922 1.00 31.13 O ATOM 0 H GLU A 72 12.028 5.712 2.096 1.00 43.33 H new ATOM 0 HA GLU A 72 11.723 7.393 -0.257 1.00 43.04 H new ATOM 0 HB2 GLU A 72 11.086 8.847 1.708 1.00 33.54 H new ATOM 0 HB3 GLU A 72 12.691 8.571 2.355 1.00 33.54 H new ATOM 0 HG2 GLU A 72 13.648 9.542 0.223 1.00 5.11 H new ATOM 0 HG3 GLU A 72 12.016 9.938 -0.276 1.00 5.11 H new ATOM 1064 N GLY A 73 14.197 6.983 -0.536 1.00 30.13 N ATOM 1065 CA GLY A 73 15.540 6.518 -0.782 1.00 71.50 C ATOM 1066 C GLY A 73 15.693 6.128 -2.222 1.00 42.42 C ATOM 1067 O GLY A 73 14.982 6.644 -3.069 1.00 20.04 O ATOM 0 H GLY A 73 13.770 7.480 -1.318 1.00 30.13 H new ATOM 0 HA2 GLY A 73 16.256 7.300 -0.531 1.00 71.50 H new ATOM 0 HA3 GLY A 73 15.761 5.665 -0.140 1.00 71.50 H new ATOM 1071 N PHE A 74 16.596 5.217 -2.509 1.00 54.14 N ATOM 1072 CA PHE A 74 16.802 4.757 -3.871 1.00 72.54 C ATOM 1073 C PHE A 74 15.966 3.512 -4.151 1.00 71.24 C ATOM 1074 O PHE A 74 15.633 2.767 -3.229 1.00 71.11 O ATOM 1075 CB PHE A 74 18.296 4.485 -4.138 1.00 31.33 C ATOM 1076 CG PHE A 74 18.971 3.535 -3.169 1.00 51.34 C ATOM 1077 CD1 PHE A 74 19.490 3.997 -1.967 1.00 60.44 C ATOM 1078 CD2 PHE A 74 19.101 2.188 -3.470 1.00 0.24 C ATOM 1079 CE1 PHE A 74 20.117 3.137 -1.089 1.00 14.34 C ATOM 1080 CE2 PHE A 74 19.726 1.325 -2.593 1.00 42.03 C ATOM 1081 CZ PHE A 74 20.234 1.799 -1.402 1.00 72.41 C ATOM 0 H PHE A 74 17.203 4.777 -1.817 1.00 54.14 H new ATOM 0 HA PHE A 74 16.476 5.546 -4.549 1.00 72.54 H new ATOM 0 HB2 PHE A 74 18.399 4.082 -5.146 1.00 31.33 H new ATOM 0 HB3 PHE A 74 18.829 5.435 -4.118 1.00 31.33 H new ATOM 0 HD1 PHE A 74 19.402 5.044 -1.716 1.00 60.44 H new ATOM 0 HD2 PHE A 74 18.708 1.809 -4.402 1.00 0.24 H new ATOM 0 HE1 PHE A 74 20.516 3.511 -0.158 1.00 14.34 H new ATOM 0 HE2 PHE A 74 19.817 0.278 -2.840 1.00 42.03 H new ATOM 0 HZ PHE A 74 20.723 1.124 -0.715 1.00 72.41 H new ATOM 1091 N ALA A 75 15.576 3.343 -5.414 1.00 14.33 N ATOM 1092 CA ALA A 75 14.934 2.112 -5.879 1.00 64.55 C ATOM 1093 C ALA A 75 15.973 1.044 -6.244 1.00 31.53 C ATOM 1094 O ALA A 75 16.625 1.142 -7.286 1.00 1.41 O ATOM 1095 CB ALA A 75 14.055 2.421 -7.082 1.00 70.11 C ATOM 0 H ALA A 75 15.695 4.050 -6.140 1.00 14.33 H new ATOM 0 HA ALA A 75 14.321 1.716 -5.069 1.00 64.55 H new ATOM 0 HB1 ALA A 75 13.577 1.505 -7.428 1.00 70.11 H new ATOM 0 HB2 ALA A 75 13.290 3.144 -6.798 1.00 70.11 H new ATOM 0 HB3 ALA A 75 14.667 2.836 -7.883 1.00 70.11 H new ATOM 1101 N PRO A 76 16.166 0.011 -5.387 1.00 3.05 N ATOM 1102 CA PRO A 76 17.171 -1.026 -5.624 1.00 73.33 C ATOM 1103 C PRO A 76 16.648 -2.280 -6.361 1.00 54.21 C ATOM 1104 O PRO A 76 17.403 -2.934 -7.092 1.00 0.33 O ATOM 1105 CB PRO A 76 17.606 -1.386 -4.202 1.00 12.42 C ATOM 1106 CG PRO A 76 16.456 -1.027 -3.299 1.00 74.13 C ATOM 1107 CD PRO A 76 15.467 -0.214 -4.103 1.00 51.15 C ATOM 0 HA PRO A 76 17.963 -0.665 -6.281 1.00 73.33 H new ATOM 0 HB2 PRO A 76 17.842 -2.447 -4.126 1.00 12.42 H new ATOM 0 HB3 PRO A 76 18.505 -0.838 -3.921 1.00 12.42 H new ATOM 0 HG2 PRO A 76 15.982 -1.928 -2.910 1.00 74.13 H new ATOM 0 HG3 PRO A 76 16.810 -0.456 -2.440 1.00 74.13 H new ATOM 0 HD2 PRO A 76 14.529 -0.750 -4.246 1.00 51.15 H new ATOM 0 HD3 PRO A 76 15.225 0.726 -3.608 1.00 51.15 H new ATOM 1115 N LEU A 77 15.337 -2.536 -6.231 1.00 71.04 N ATOM 1116 CA LEU A 77 14.705 -3.840 -6.515 1.00 22.51 C ATOM 1117 C LEU A 77 13.260 -3.855 -5.998 1.00 12.12 C ATOM 1118 O LEU A 77 12.690 -2.799 -5.694 1.00 13.21 O ATOM 1119 CB LEU A 77 15.514 -5.050 -5.942 1.00 22.44 C ATOM 1120 CG LEU A 77 16.011 -4.962 -4.487 1.00 23.33 C ATOM 1121 CD1 LEU A 77 15.153 -5.792 -3.551 1.00 35.01 C ATOM 1122 CD2 LEU A 77 17.463 -5.410 -4.408 1.00 10.04 C ATOM 0 H LEU A 77 14.670 -1.830 -5.919 1.00 71.04 H new ATOM 0 HA LEU A 77 14.701 -3.961 -7.598 1.00 22.51 H new ATOM 0 HB2 LEU A 77 14.891 -5.940 -6.029 1.00 22.44 H new ATOM 0 HB3 LEU A 77 16.382 -5.205 -6.583 1.00 22.44 H new ATOM 0 HG LEU A 77 15.935 -3.923 -4.168 1.00 23.33 H new ATOM 0 HD11 LEU A 77 15.535 -5.705 -2.534 1.00 35.01 H new ATOM 0 HD12 LEU A 77 14.125 -5.432 -3.585 1.00 35.01 H new ATOM 0 HD13 LEU A 77 15.182 -6.837 -3.861 1.00 35.01 H new ATOM 0 HD21 LEU A 77 17.808 -5.345 -3.376 1.00 10.04 H new ATOM 0 HD22 LEU A 77 17.545 -6.440 -4.754 1.00 10.04 H new ATOM 0 HD23 LEU A 77 18.077 -4.766 -5.037 1.00 10.04 H new ATOM 1134 N SER A 78 12.664 -5.051 -5.969 1.00 33.31 N ATOM 1135 CA SER A 78 11.303 -5.270 -5.475 1.00 24.33 C ATOM 1136 C SER A 78 11.164 -4.899 -3.996 1.00 44.12 C ATOM 1137 O SER A 78 11.881 -5.415 -3.137 1.00 11.13 O ATOM 1138 CB SER A 78 10.909 -6.732 -5.698 1.00 3.53 C ATOM 1139 OG SER A 78 9.503 -6.884 -5.774 1.00 64.32 O ATOM 0 H SER A 78 13.120 -5.904 -6.292 1.00 33.31 H new ATOM 0 HA SER A 78 10.631 -4.618 -6.033 1.00 24.33 H new ATOM 0 HB2 SER A 78 11.366 -7.097 -6.618 1.00 3.53 H new ATOM 0 HB3 SER A 78 11.299 -7.343 -4.884 1.00 3.53 H new ATOM 0 HG SER A 78 9.131 -6.197 -6.366 1.00 64.32 H new ATOM 1145 N VAL A 79 10.229 -3.994 -3.718 1.00 4.32 N ATOM 1146 CA VAL A 79 10.022 -3.473 -2.371 1.00 1.45 C ATOM 1147 C VAL A 79 9.104 -4.401 -1.569 1.00 24.51 C ATOM 1148 O VAL A 79 7.976 -4.700 -1.977 1.00 15.24 O ATOM 1149 CB VAL A 79 9.458 -2.021 -2.408 1.00 50.02 C ATOM 1150 CG1 VAL A 79 9.139 -1.481 -1.013 1.00 0.02 C ATOM 1151 CG2 VAL A 79 10.457 -1.103 -3.091 1.00 51.51 C ATOM 0 H VAL A 79 9.597 -3.603 -4.417 1.00 4.32 H new ATOM 0 HA VAL A 79 10.990 -3.436 -1.871 1.00 1.45 H new ATOM 0 HB VAL A 79 8.523 -2.050 -2.968 1.00 50.02 H new ATOM 0 HG11 VAL A 79 8.749 -0.466 -1.096 1.00 0.02 H new ATOM 0 HG12 VAL A 79 8.393 -2.118 -0.538 1.00 0.02 H new ATOM 0 HG13 VAL A 79 10.047 -1.473 -0.410 1.00 0.02 H new ATOM 0 HG21 VAL A 79 10.061 -0.088 -3.116 1.00 51.51 H new ATOM 0 HG22 VAL A 79 11.396 -1.112 -2.538 1.00 51.51 H new ATOM 0 HG23 VAL A 79 10.632 -1.449 -4.110 1.00 51.51 H new ATOM 1161 N ARG A 80 9.627 -4.857 -0.434 1.00 32.33 N ATOM 1162 CA ARG A 80 8.928 -5.770 0.455 1.00 41.32 C ATOM 1163 C ARG A 80 7.913 -5.003 1.311 1.00 33.24 C ATOM 1164 O ARG A 80 8.275 -4.225 2.199 1.00 14.03 O ATOM 1165 CB ARG A 80 9.975 -6.509 1.304 1.00 65.11 C ATOM 1166 CG ARG A 80 9.455 -7.669 2.140 1.00 13.24 C ATOM 1167 CD ARG A 80 9.299 -7.298 3.610 1.00 33.12 C ATOM 1168 NE ARG A 80 10.503 -6.656 4.163 1.00 75.40 N ATOM 1169 CZ ARG A 80 11.507 -7.297 4.782 1.00 42.30 C ATOM 1170 NH1 ARG A 80 11.514 -8.625 4.904 1.00 42.23 N ATOM 1171 NH2 ARG A 80 12.522 -6.592 5.253 1.00 71.14 N ATOM 0 H ARG A 80 10.557 -4.598 -0.106 1.00 32.33 H new ATOM 0 HA ARG A 80 8.359 -6.507 -0.112 1.00 41.32 H new ATOM 0 HB2 ARG A 80 10.753 -6.885 0.640 1.00 65.11 H new ATOM 0 HB3 ARG A 80 10.447 -5.788 1.972 1.00 65.11 H new ATOM 0 HG2 ARG A 80 8.493 -7.995 1.746 1.00 13.24 H new ATOM 0 HG3 ARG A 80 10.139 -8.513 2.051 1.00 13.24 H new ATOM 0 HD2 ARG A 80 8.449 -6.625 3.723 1.00 33.12 H new ATOM 0 HD3 ARG A 80 9.074 -8.196 4.186 1.00 33.12 H new ATOM 0 HE ARG A 80 10.580 -5.643 4.068 1.00 75.40 H new ATOM 0 HH11 ARG A 80 10.745 -9.176 4.523 1.00 42.23 H new ATOM 0 HH12 ARG A 80 12.288 -9.089 5.379 1.00 42.23 H new ATOM 0 HH21 ARG A 80 12.533 -5.578 5.143 1.00 71.14 H new ATOM 0 HH22 ARG A 80 13.294 -7.062 5.726 1.00 71.14 H new ATOM 1185 N PHE A 81 6.646 -5.231 1.013 1.00 40.05 N ATOM 1186 CA PHE A 81 5.540 -4.521 1.646 1.00 1.22 C ATOM 1187 C PHE A 81 5.077 -5.238 2.912 1.00 43.33 C ATOM 1188 O PHE A 81 5.117 -6.470 2.994 1.00 11.42 O ATOM 1189 CB PHE A 81 4.370 -4.354 0.649 1.00 4.21 C ATOM 1190 CG PHE A 81 3.807 -5.651 0.108 1.00 53.44 C ATOM 1191 CD1 PHE A 81 4.431 -6.321 -0.933 1.00 75.54 C ATOM 1192 CD2 PHE A 81 2.658 -6.200 0.646 1.00 32.45 C ATOM 1193 CE1 PHE A 81 3.919 -7.505 -1.415 1.00 4.22 C ATOM 1194 CE2 PHE A 81 2.144 -7.383 0.164 1.00 31.32 C ATOM 1195 CZ PHE A 81 2.774 -8.034 -0.866 1.00 44.32 C ATOM 0 H PHE A 81 6.350 -5.919 0.320 1.00 40.05 H new ATOM 0 HA PHE A 81 5.892 -3.531 1.937 1.00 1.22 H new ATOM 0 HB2 PHE A 81 3.568 -3.803 1.141 1.00 4.21 H new ATOM 0 HB3 PHE A 81 4.709 -3.744 -0.188 1.00 4.21 H new ATOM 0 HD1 PHE A 81 5.329 -5.910 -1.371 1.00 75.54 H new ATOM 0 HD2 PHE A 81 2.156 -5.693 1.457 1.00 32.45 H new ATOM 0 HE1 PHE A 81 4.417 -8.018 -2.224 1.00 4.22 H new ATOM 0 HE2 PHE A 81 1.246 -7.798 0.597 1.00 31.32 H new ATOM 0 HZ PHE A 81 2.371 -8.961 -1.246 1.00 44.32 H new ATOM 1205 N LYS A 82 4.664 -4.456 3.903 1.00 21.40 N ATOM 1206 CA LYS A 82 4.209 -4.985 5.185 1.00 4.41 C ATOM 1207 C LYS A 82 2.969 -4.220 5.641 1.00 64.21 C ATOM 1208 O LYS A 82 3.049 -3.037 5.947 1.00 32.12 O ATOM 1209 CB LYS A 82 5.329 -4.845 6.237 1.00 62.23 C ATOM 1210 CG LYS A 82 6.564 -5.690 5.946 1.00 2.34 C ATOM 1211 CD LYS A 82 7.802 -5.212 6.692 1.00 33.03 C ATOM 1212 CE LYS A 82 8.288 -3.857 6.186 1.00 53.01 C ATOM 1213 NZ LYS A 82 9.601 -3.478 6.772 1.00 73.43 N ATOM 0 H LYS A 82 4.635 -3.438 3.841 1.00 21.40 H new ATOM 0 HA LYS A 82 3.960 -6.040 5.072 1.00 4.41 H new ATOM 0 HB2 LYS A 82 5.625 -3.798 6.300 1.00 62.23 H new ATOM 0 HB3 LYS A 82 4.933 -5.124 7.213 1.00 62.23 H new ATOM 0 HG2 LYS A 82 6.361 -6.726 6.217 1.00 2.34 H new ATOM 0 HG3 LYS A 82 6.764 -5.674 4.875 1.00 2.34 H new ATOM 0 HD2 LYS A 82 7.579 -5.142 7.757 1.00 33.03 H new ATOM 0 HD3 LYS A 82 8.599 -5.947 6.580 1.00 33.03 H new ATOM 0 HE2 LYS A 82 8.371 -3.885 5.100 1.00 53.01 H new ATOM 0 HE3 LYS A 82 7.549 -3.094 6.429 1.00 53.01 H new ATOM 0 HZ1 LYS A 82 9.572 -2.484 7.076 1.00 73.43 H new ATOM 0 HZ2 LYS A 82 9.803 -4.085 7.592 1.00 73.43 H new ATOM 0 HZ3 LYS A 82 10.348 -3.600 6.059 1.00 73.43 H new ATOM 1227 N ASP A 83 1.824 -4.891 5.695 1.00 72.53 N ATOM 1228 CA ASP A 83 0.581 -4.223 6.067 1.00 1.23 C ATOM 1229 C ASP A 83 0.275 -4.422 7.546 1.00 61.21 C ATOM 1230 O ASP A 83 0.576 -5.462 8.126 1.00 71.03 O ATOM 1231 CB ASP A 83 -0.605 -4.665 5.191 1.00 74.00 C ATOM 1232 CG ASP A 83 -1.144 -6.049 5.498 1.00 54.44 C ATOM 1233 OD1 ASP A 83 -0.545 -7.052 5.056 1.00 61.20 O ATOM 1234 OD2 ASP A 83 -2.194 -6.131 6.171 1.00 21.30 O ATOM 0 H ASP A 83 1.730 -5.885 5.489 1.00 72.53 H new ATOM 0 HA ASP A 83 0.727 -3.158 5.888 1.00 1.23 H new ATOM 0 HB2 ASP A 83 -1.413 -3.942 5.307 1.00 74.00 H new ATOM 0 HB3 ASP A 83 -0.297 -4.634 4.146 1.00 74.00 H new ATOM 1239 N PHE A 84 -0.285 -3.382 8.137 1.00 51.34 N ATOM 1240 CA PHE A 84 -0.697 -3.366 9.536 1.00 23.21 C ATOM 1241 C PHE A 84 -2.220 -3.178 9.628 1.00 23.20 C ATOM 1242 O PHE A 84 -2.744 -2.708 10.649 1.00 61.01 O ATOM 1243 CB PHE A 84 0.018 -2.215 10.245 1.00 61.44 C ATOM 1244 CG PHE A 84 1.010 -2.655 11.283 1.00 74.10 C ATOM 1245 CD1 PHE A 84 2.235 -3.192 10.917 1.00 3.14 C ATOM 1246 CD2 PHE A 84 0.716 -2.522 12.630 1.00 53.24 C ATOM 1247 CE1 PHE A 84 3.144 -3.592 11.878 1.00 41.12 C ATOM 1248 CE2 PHE A 84 1.623 -2.919 13.593 1.00 24.41 C ATOM 1249 CZ PHE A 84 2.838 -3.455 13.216 1.00 25.02 C ATOM 0 H PHE A 84 -0.472 -2.505 7.651 1.00 51.34 H new ATOM 0 HA PHE A 84 -0.434 -4.310 10.012 1.00 23.21 H new ATOM 0 HB2 PHE A 84 0.533 -1.608 9.500 1.00 61.44 H new ATOM 0 HB3 PHE A 84 -0.727 -1.575 10.718 1.00 61.44 H new ATOM 0 HD1 PHE A 84 2.481 -3.299 9.871 1.00 3.14 H new ATOM 0 HD2 PHE A 84 -0.233 -2.103 12.931 1.00 53.24 H new ATOM 0 HE1 PHE A 84 4.094 -4.012 11.581 1.00 41.12 H new ATOM 0 HE2 PHE A 84 1.382 -2.810 14.640 1.00 24.41 H new ATOM 0 HZ PHE A 84 3.548 -3.767 13.968 1.00 25.02 H new ATOM 1259 N SER A 85 -2.900 -3.540 8.529 1.00 21.32 N ATOM 1260 CA SER A 85 -4.348 -3.374 8.359 1.00 51.34 C ATOM 1261 C SER A 85 -5.138 -4.071 9.461 1.00 4.15 C ATOM 1262 O SER A 85 -4.960 -5.266 9.721 1.00 62.41 O ATOM 1263 CB SER A 85 -4.767 -3.944 7.011 1.00 42.11 C ATOM 1264 OG SER A 85 -3.886 -3.520 5.988 1.00 45.23 O ATOM 0 H SER A 85 -2.448 -3.964 7.719 1.00 21.32 H new ATOM 0 HA SER A 85 -4.566 -2.307 8.412 1.00 51.34 H new ATOM 0 HB2 SER A 85 -4.777 -5.033 7.059 1.00 42.11 H new ATOM 0 HB3 SER A 85 -5.783 -3.626 6.777 1.00 42.11 H new ATOM 0 HG SER A 85 -4.052 -4.043 5.176 1.00 45.23 H new ATOM 1270 N GLU A 86 -6.019 -3.311 10.091 1.00 12.50 N ATOM 1271 CA GLU A 86 -6.741 -3.767 11.261 1.00 53.25 C ATOM 1272 C GLU A 86 -8.239 -3.633 11.001 1.00 41.14 C ATOM 1273 O GLU A 86 -8.645 -2.803 10.185 1.00 52.41 O ATOM 1274 CB GLU A 86 -6.304 -2.921 12.462 1.00 14.33 C ATOM 1275 CG GLU A 86 -6.780 -3.408 13.821 1.00 44.14 C ATOM 1276 CD GLU A 86 -6.340 -2.494 14.939 1.00 71.11 C ATOM 1277 OE1 GLU A 86 -5.198 -2.656 15.417 1.00 71.15 O ATOM 1278 OE2 GLU A 86 -7.120 -1.603 15.335 1.00 24.44 O ATOM 0 H GLU A 86 -6.252 -2.361 9.803 1.00 12.50 H new ATOM 0 HA GLU A 86 -6.524 -4.814 11.474 1.00 53.25 H new ATOM 0 HB2 GLU A 86 -5.215 -2.876 12.474 1.00 14.33 H new ATOM 0 HB3 GLU A 86 -6.664 -1.903 12.315 1.00 14.33 H new ATOM 0 HG2 GLU A 86 -7.868 -3.480 13.819 1.00 44.14 H new ATOM 0 HG3 GLU A 86 -6.395 -4.412 14.001 1.00 44.14 H new ATOM 1285 N ASN A 87 -9.029 -4.493 11.669 1.00 24.15 N ATOM 1286 CA ASN A 87 -10.511 -4.465 11.651 1.00 40.23 C ATOM 1287 C ASN A 87 -11.073 -4.730 10.245 1.00 50.15 C ATOM 1288 O ASN A 87 -12.157 -4.266 9.890 1.00 42.32 O ATOM 1289 CB ASN A 87 -11.015 -3.120 12.202 1.00 62.43 C ATOM 1290 CG ASN A 87 -10.524 -2.844 13.616 1.00 72.12 C ATOM 1291 OD1 ASN A 87 -10.495 -3.732 14.468 1.00 74.53 O ATOM 1292 ND2 ASN A 87 -10.074 -1.622 13.853 1.00 32.43 N ATOM 0 H ASN A 87 -8.652 -5.243 12.249 1.00 24.15 H new ATOM 0 HA ASN A 87 -10.872 -5.269 12.292 1.00 40.23 H new ATOM 0 HB2 ASN A 87 -10.686 -2.316 11.544 1.00 62.43 H new ATOM 0 HB3 ASN A 87 -12.105 -3.113 12.192 1.00 62.43 H new ATOM 0 HD21 ASN A 87 -9.686 -1.390 14.767 1.00 32.43 H new ATOM 0 HD22 ASN A 87 -10.115 -0.913 13.121 1.00 32.43 H new ATOM 1299 N ALA A 88 -10.343 -5.524 9.467 1.00 43.03 N ATOM 1300 CA ALA A 88 -10.657 -5.750 8.066 1.00 61.43 C ATOM 1301 C ALA A 88 -10.793 -7.233 7.772 1.00 42.25 C ATOM 1302 O ALA A 88 -10.160 -8.064 8.421 1.00 52.33 O ATOM 1303 CB ALA A 88 -9.573 -5.145 7.190 1.00 53.24 C ATOM 0 H ALA A 88 -9.518 -6.027 9.793 1.00 43.03 H new ATOM 0 HA ALA A 88 -11.610 -5.270 7.846 1.00 61.43 H new ATOM 0 HB1 ALA A 88 -9.814 -5.318 6.141 1.00 53.24 H new ATOM 0 HB2 ALA A 88 -9.511 -4.073 7.376 1.00 53.24 H new ATOM 0 HB3 ALA A 88 -8.615 -5.610 7.423 1.00 53.24 H new ATOM 1309 N THR A 89 -11.632 -7.560 6.806 1.00 23.32 N ATOM 1310 CA THR A 89 -11.807 -8.941 6.384 1.00 53.23 C ATOM 1311 C THR A 89 -11.220 -9.166 4.980 1.00 62.10 C ATOM 1312 O THR A 89 -10.937 -10.301 4.592 1.00 42.45 O ATOM 1313 CB THR A 89 -13.302 -9.383 6.453 1.00 33.52 C ATOM 1314 OG1 THR A 89 -13.451 -10.743 6.030 1.00 53.01 O ATOM 1315 CG2 THR A 89 -14.212 -8.493 5.616 1.00 64.53 C ATOM 0 H THR A 89 -12.205 -6.887 6.297 1.00 23.32 H new ATOM 0 HA THR A 89 -11.256 -9.570 7.083 1.00 53.23 H new ATOM 0 HB THR A 89 -13.603 -9.287 7.496 1.00 33.52 H new ATOM 0 HG1 THR A 89 -14.395 -11.000 6.082 1.00 53.01 H new ATOM 0 HG21 THR A 89 -15.241 -8.844 5.699 1.00 64.53 H new ATOM 0 HG22 THR A 89 -14.149 -7.466 5.977 1.00 64.53 H new ATOM 0 HG23 THR A 89 -13.899 -8.531 4.573 1.00 64.53 H new ATOM 1323 N SER A 90 -11.019 -8.081 4.233 1.00 62.20 N ATOM 1324 CA SER A 90 -10.489 -8.159 2.876 1.00 34.52 C ATOM 1325 C SER A 90 -9.426 -7.084 2.667 1.00 22.01 C ATOM 1326 O SER A 90 -9.486 -6.032 3.305 1.00 21.43 O ATOM 1327 CB SER A 90 -11.616 -7.953 1.858 1.00 5.44 C ATOM 1328 OG SER A 90 -12.703 -8.836 2.093 1.00 42.34 O ATOM 0 H SER A 90 -11.218 -7.132 4.550 1.00 62.20 H new ATOM 0 HA SER A 90 -10.045 -9.144 2.734 1.00 34.52 H new ATOM 0 HB2 SER A 90 -11.967 -6.922 1.907 1.00 5.44 H new ATOM 0 HB3 SER A 90 -11.230 -8.111 0.851 1.00 5.44 H new ATOM 0 HG SER A 90 -13.404 -8.676 1.427 1.00 42.34 H new ATOM 1334 N ARG A 91 -8.449 -7.355 1.798 1.00 53.34 N ATOM 1335 CA ARG A 91 -7.471 -6.344 1.398 1.00 11.53 C ATOM 1336 C ARG A 91 -7.240 -6.375 -0.110 1.00 23.40 C ATOM 1337 O ARG A 91 -7.346 -7.422 -0.753 1.00 31.00 O ATOM 1338 CB ARG A 91 -6.131 -6.498 2.146 1.00 14.52 C ATOM 1339 CG ARG A 91 -5.462 -7.852 1.988 1.00 60.23 C ATOM 1340 CD ARG A 91 -4.093 -7.904 2.655 1.00 55.00 C ATOM 1341 NE ARG A 91 -4.125 -7.638 4.105 1.00 1.43 N ATOM 1342 CZ ARG A 91 -4.489 -8.528 5.047 1.00 24.04 C ATOM 1343 NH1 ARG A 91 -4.967 -9.722 4.717 1.00 45.30 N ATOM 1344 NH2 ARG A 91 -4.367 -8.211 6.328 1.00 10.35 N ATOM 0 H ARG A 91 -8.315 -8.266 1.359 1.00 53.34 H new ATOM 0 HA ARG A 91 -7.890 -5.376 1.672 1.00 11.53 H new ATOM 0 HB2 ARG A 91 -5.445 -5.727 1.795 1.00 14.52 H new ATOM 0 HB3 ARG A 91 -6.301 -6.315 3.207 1.00 14.52 H new ATOM 0 HG2 ARG A 91 -6.102 -8.623 2.417 1.00 60.23 H new ATOM 0 HG3 ARG A 91 -5.356 -8.080 0.927 1.00 60.23 H new ATOM 0 HD2 ARG A 91 -3.654 -8.887 2.485 1.00 55.00 H new ATOM 0 HD3 ARG A 91 -3.438 -7.176 2.176 1.00 55.00 H new ATOM 0 HE ARG A 91 -3.850 -6.707 4.419 1.00 1.43 H new ATOM 0 HH11 ARG A 91 -5.064 -9.979 3.735 1.00 45.30 H new ATOM 0 HH12 ARG A 91 -5.237 -10.382 5.446 1.00 45.30 H new ATOM 0 HH21 ARG A 91 -3.999 -7.298 6.595 1.00 10.35 H new ATOM 0 HH22 ARG A 91 -4.641 -8.880 7.047 1.00 10.35 H new ATOM 1358 N LEU A 92 -6.953 -5.208 -0.658 1.00 64.04 N ATOM 1359 CA LEU A 92 -6.661 -5.033 -2.068 1.00 4.34 C ATOM 1360 C LEU A 92 -5.417 -4.163 -2.201 1.00 1.21 C ATOM 1361 O LEU A 92 -5.407 -2.995 -1.792 1.00 34.41 O ATOM 1362 CB LEU A 92 -7.880 -4.404 -2.778 1.00 33.23 C ATOM 1363 CG LEU A 92 -7.676 -3.900 -4.221 1.00 55.24 C ATOM 1364 CD1 LEU A 92 -7.351 -5.029 -5.184 1.00 51.50 C ATOM 1365 CD2 LEU A 92 -8.918 -3.170 -4.691 1.00 20.23 C ATOM 0 H LEU A 92 -6.916 -4.339 -0.125 1.00 64.04 H new ATOM 0 HA LEU A 92 -6.466 -5.994 -2.544 1.00 4.34 H new ATOM 0 HB2 LEU A 92 -8.682 -5.142 -2.789 1.00 33.23 H new ATOM 0 HB3 LEU A 92 -8.227 -3.566 -2.174 1.00 33.23 H new ATOM 0 HG LEU A 92 -6.824 -3.221 -4.211 1.00 55.24 H new ATOM 0 HD11 LEU A 92 -7.216 -4.624 -6.187 1.00 51.50 H new ATOM 0 HD12 LEU A 92 -6.434 -5.525 -4.867 1.00 51.50 H new ATOM 0 HD13 LEU A 92 -8.169 -5.749 -5.190 1.00 51.50 H new ATOM 0 HD21 LEU A 92 -8.768 -2.816 -5.711 1.00 20.23 H new ATOM 0 HD22 LEU A 92 -9.771 -3.848 -4.664 1.00 20.23 H new ATOM 0 HD23 LEU A 92 -9.110 -2.320 -4.037 1.00 20.23 H new ATOM 1377 N TRP A 93 -4.361 -4.752 -2.738 1.00 63.32 N ATOM 1378 CA TRP A 93 -3.117 -4.040 -2.951 1.00 52.10 C ATOM 1379 C TRP A 93 -3.086 -3.434 -4.332 1.00 1.22 C ATOM 1380 O TRP A 93 -3.075 -4.141 -5.342 1.00 40.11 O ATOM 1381 CB TRP A 93 -1.915 -4.958 -2.777 1.00 22.20 C ATOM 1382 CG TRP A 93 -1.514 -5.185 -1.353 1.00 54.14 C ATOM 1383 CD1 TRP A 93 -1.697 -6.316 -0.612 1.00 50.53 C ATOM 1384 CD2 TRP A 93 -0.843 -4.248 -0.502 1.00 51.33 C ATOM 1385 NE1 TRP A 93 -1.157 -6.149 0.640 1.00 11.34 N ATOM 1386 CE2 TRP A 93 -0.636 -4.884 0.734 1.00 45.31 C ATOM 1387 CE3 TRP A 93 -0.391 -2.932 -0.667 1.00 41.52 C ATOM 1388 CZ2 TRP A 93 0.005 -4.253 1.794 1.00 62.02 C ATOM 1389 CZ3 TRP A 93 0.244 -2.310 0.388 1.00 63.21 C ATOM 1390 CH2 TRP A 93 0.435 -2.970 1.605 1.00 14.32 C ATOM 0 H TRP A 93 -4.344 -5.728 -3.035 1.00 63.32 H new ATOM 0 HA TRP A 93 -3.062 -3.249 -2.203 1.00 52.10 H new ATOM 0 HB2 TRP A 93 -2.138 -5.921 -3.237 1.00 22.20 H new ATOM 0 HB3 TRP A 93 -1.068 -4.535 -3.318 1.00 22.20 H new ATOM 0 HD1 TRP A 93 -2.193 -7.210 -0.959 1.00 50.53 H new ATOM 0 HE1 TRP A 93 -1.145 -6.852 1.379 1.00 11.34 H new ATOM 0 HE3 TRP A 93 -0.537 -2.414 -1.603 1.00 41.52 H new ATOM 0 HZ2 TRP A 93 0.158 -4.760 2.735 1.00 62.02 H new ATOM 0 HZ3 TRP A 93 0.599 -1.297 0.272 1.00 63.21 H new ATOM 0 HH2 TRP A 93 0.933 -2.455 2.413 1.00 14.32 H new ATOM 1401 N MET A 94 -3.083 -2.119 -4.363 1.00 13.32 N ATOM 1402 CA MET A 94 -3.084 -1.376 -5.601 1.00 22.41 C ATOM 1403 C MET A 94 -1.710 -0.794 -5.874 1.00 3.12 C ATOM 1404 O MET A 94 -1.301 0.201 -5.273 1.00 30.11 O ATOM 1405 CB MET A 94 -4.131 -0.266 -5.563 1.00 32.51 C ATOM 1406 CG MET A 94 -5.559 -0.773 -5.486 1.00 51.22 C ATOM 1407 SD MET A 94 -6.092 -1.652 -6.969 1.00 3.43 S ATOM 1408 CE MET A 94 -5.861 -0.405 -8.235 1.00 4.34 C ATOM 0 H MET A 94 -3.080 -1.535 -3.527 1.00 13.32 H new ATOM 0 HA MET A 94 -3.338 -2.062 -6.409 1.00 22.41 H new ATOM 0 HB2 MET A 94 -3.936 0.375 -4.703 1.00 32.51 H new ATOM 0 HB3 MET A 94 -4.023 0.353 -6.453 1.00 32.51 H new ATOM 0 HG2 MET A 94 -5.655 -1.436 -4.626 1.00 51.22 H new ATOM 0 HG3 MET A 94 -6.227 0.071 -5.314 1.00 51.22 H new ATOM 0 HE1 MET A 94 -6.460 -0.659 -9.109 1.00 4.34 H new ATOM 0 HE2 MET A 94 -6.173 0.566 -7.851 1.00 4.34 H new ATOM 0 HE3 MET A 94 -4.809 -0.362 -8.516 1.00 4.34 H new ATOM 1418 N PHE A 95 -0.987 -1.457 -6.766 1.00 62.41 N ATOM 1419 CA PHE A 95 0.292 -0.956 -7.262 1.00 22.12 C ATOM 1420 C PHE A 95 0.041 0.098 -8.350 1.00 21.14 C ATOM 1421 O PHE A 95 0.852 1.002 -8.566 1.00 5.21 O ATOM 1422 CB PHE A 95 1.124 -2.133 -7.807 1.00 42.04 C ATOM 1423 CG PHE A 95 2.569 -1.812 -8.108 1.00 14.15 C ATOM 1424 CD1 PHE A 95 3.482 -1.623 -7.079 1.00 31.52 C ATOM 1425 CD2 PHE A 95 3.018 -1.720 -9.417 1.00 44.44 C ATOM 1426 CE1 PHE A 95 4.809 -1.346 -7.353 1.00 3.45 C ATOM 1427 CE2 PHE A 95 4.343 -1.441 -9.694 1.00 61.34 C ATOM 1428 CZ PHE A 95 5.240 -1.256 -8.662 1.00 4.33 C ATOM 0 H PHE A 95 -1.267 -2.353 -7.166 1.00 62.41 H new ATOM 0 HA PHE A 95 0.851 -0.485 -6.453 1.00 22.12 H new ATOM 0 HB2 PHE A 95 1.092 -2.946 -7.082 1.00 42.04 H new ATOM 0 HB3 PHE A 95 0.652 -2.500 -8.719 1.00 42.04 H new ATOM 0 HD1 PHE A 95 3.152 -1.693 -6.053 1.00 31.52 H new ATOM 0 HD2 PHE A 95 2.323 -1.868 -10.230 1.00 44.44 H new ATOM 0 HE1 PHE A 95 5.508 -1.200 -6.543 1.00 3.45 H new ATOM 0 HE2 PHE A 95 4.676 -1.368 -10.719 1.00 61.34 H new ATOM 0 HZ PHE A 95 6.276 -1.041 -8.877 1.00 4.33 H new ATOM 1438 N GLY A 96 -1.115 -0.030 -9.015 1.00 74.22 N ATOM 1439 CA GLY A 96 -1.498 0.887 -10.077 1.00 31.02 C ATOM 1440 C GLY A 96 -1.170 0.338 -11.452 1.00 55.54 C ATOM 1441 O GLY A 96 -1.343 1.028 -12.456 1.00 61.14 O ATOM 0 H GLY A 96 -1.798 -0.765 -8.829 1.00 74.22 H new ATOM 0 HA2 GLY A 96 -2.567 1.088 -10.013 1.00 31.02 H new ATOM 0 HA3 GLY A 96 -0.986 1.839 -9.936 1.00 31.02 H new ATOM 1445 N ASP A 97 -0.711 -0.908 -11.488 1.00 52.12 N ATOM 1446 CA ASP A 97 -0.267 -1.531 -12.725 1.00 32.10 C ATOM 1447 C ASP A 97 -0.917 -2.902 -12.893 1.00 11.15 C ATOM 1448 O ASP A 97 -0.903 -3.712 -11.959 1.00 53.21 O ATOM 1449 CB ASP A 97 1.268 -1.646 -12.747 1.00 22.40 C ATOM 1450 CG ASP A 97 1.817 -2.080 -14.097 1.00 22.02 C ATOM 1451 OD1 ASP A 97 1.933 -1.225 -14.998 1.00 4.41 O ATOM 1452 OD2 ASP A 97 2.143 -3.272 -14.260 1.00 32.13 O ATOM 0 H ASP A 97 -0.637 -1.509 -10.667 1.00 52.12 H new ATOM 0 HA ASP A 97 -0.574 -0.904 -13.562 1.00 32.10 H new ATOM 0 HB2 ASP A 97 1.702 -0.683 -12.478 1.00 22.40 H new ATOM 0 HB3 ASP A 97 1.583 -2.361 -11.987 1.00 22.40 H new ATOM 1457 N GLY A 98 -1.506 -3.132 -14.070 1.00 61.41 N ATOM 1458 CA GLY A 98 -2.039 -4.445 -14.433 1.00 53.51 C ATOM 1459 C GLY A 98 -3.223 -4.887 -13.588 1.00 62.42 C ATOM 1460 O GLY A 98 -4.026 -4.062 -13.140 1.00 34.21 O ATOM 0 H GLY A 98 -1.625 -2.420 -14.791 1.00 61.41 H new ATOM 0 HA2 GLY A 98 -2.340 -4.427 -15.480 1.00 53.51 H new ATOM 0 HA3 GLY A 98 -1.245 -5.186 -14.343 1.00 53.51 H new ATOM 1464 N ASN A 99 -3.335 -6.199 -13.388 1.00 14.02 N ATOM 1465 CA ASN A 99 -4.325 -6.765 -12.486 1.00 75.33 C ATOM 1466 C ASN A 99 -3.727 -6.851 -11.091 1.00 61.01 C ATOM 1467 O ASN A 99 -2.713 -7.526 -10.876 1.00 13.02 O ATOM 1468 CB ASN A 99 -4.792 -8.153 -12.960 1.00 23.32 C ATOM 1469 CG ASN A 99 -5.654 -8.110 -14.214 1.00 31.04 C ATOM 1470 OD1 ASN A 99 -6.876 -7.977 -14.132 1.00 64.44 O ATOM 1471 ND2 ASN A 99 -5.030 -8.234 -15.377 1.00 33.22 N ATOM 0 H ASN A 99 -2.744 -6.893 -13.846 1.00 14.02 H new ATOM 0 HA ASN A 99 -5.202 -6.118 -12.474 1.00 75.33 H new ATOM 0 HB2 ASN A 99 -3.918 -8.776 -13.151 1.00 23.32 H new ATOM 0 HB3 ASN A 99 -5.355 -8.631 -12.158 1.00 23.32 H new ATOM 0 HD21 ASN A 99 -5.564 -8.221 -16.246 1.00 33.22 H new ATOM 0 HD22 ASN A 99 -4.016 -8.342 -15.403 1.00 33.22 H new ATOM 1478 N THR A 100 -4.350 -6.142 -10.160 1.00 55.40 N ATOM 1479 CA THR A 100 -3.834 -5.994 -8.806 1.00 52.14 C ATOM 1480 C THR A 100 -4.184 -7.179 -7.881 1.00 62.41 C ATOM 1481 O THR A 100 -4.602 -8.243 -8.360 1.00 21.15 O ATOM 1482 CB THR A 100 -4.331 -4.672 -8.207 1.00 21.30 C ATOM 1483 OG1 THR A 100 -5.726 -4.497 -8.483 1.00 13.15 O ATOM 1484 CG2 THR A 100 -3.535 -3.503 -8.768 1.00 21.14 C ATOM 0 H THR A 100 -5.230 -5.652 -10.323 1.00 55.40 H new ATOM 0 HA THR A 100 -2.746 -5.985 -8.878 1.00 52.14 H new ATOM 0 HB THR A 100 -4.187 -4.705 -7.127 1.00 21.30 H new ATOM 0 HG1 THR A 100 -6.035 -3.655 -8.087 1.00 13.15 H new ATOM 0 HG21 THR A 100 -3.900 -2.572 -8.333 1.00 21.14 H new ATOM 0 HG22 THR A 100 -2.481 -3.630 -8.522 1.00 21.14 H new ATOM 0 HG23 THR A 100 -3.654 -3.468 -9.851 1.00 21.14 H new ATOM 1602 N THR A 109 8.245 -4.407 -7.832 1.00 53.15 N ATOM 1603 CA THR A 109 9.604 -4.073 -8.184 1.00 44.33 C ATOM 1604 C THR A 109 9.712 -2.618 -8.598 1.00 1.11 C ATOM 1605 O THR A 109 9.041 -2.167 -9.527 1.00 54.35 O ATOM 1606 CB THR A 109 10.107 -4.986 -9.330 1.00 55.11 C ATOM 1607 OG1 THR A 109 9.838 -6.356 -8.998 1.00 22.44 O ATOM 1608 CG2 THR A 109 11.604 -4.816 -9.575 1.00 42.32 C ATOM 0 HA THR A 109 10.228 -4.231 -7.305 1.00 44.33 H new ATOM 0 HB THR A 109 9.580 -4.701 -10.241 1.00 55.11 H new ATOM 0 HG1 THR A 109 9.097 -6.398 -8.358 1.00 22.44 H new ATOM 0 HG21 THR A 109 11.917 -5.474 -10.386 1.00 42.32 H new ATOM 0 HG22 THR A 109 11.813 -3.781 -9.846 1.00 42.32 H new ATOM 0 HG23 THR A 109 12.152 -5.072 -8.668 1.00 42.32 H new ATOM 1616 N PHE A 110 10.534 -1.884 -7.871 1.00 11.24 N ATOM 1617 CA PHE A 110 10.887 -0.541 -8.271 1.00 24.01 C ATOM 1618 C PHE A 110 12.137 -0.631 -9.134 1.00 12.45 C ATOM 1619 O PHE A 110 13.267 -0.544 -8.643 1.00 3.24 O ATOM 1620 CB PHE A 110 11.117 0.380 -7.059 1.00 71.30 C ATOM 1621 CG PHE A 110 9.891 0.740 -6.237 1.00 64.34 C ATOM 1622 CD1 PHE A 110 8.681 0.059 -6.356 1.00 25.23 C ATOM 1623 CD2 PHE A 110 9.973 1.768 -5.312 1.00 72.10 C ATOM 1624 CE1 PHE A 110 7.595 0.395 -5.574 1.00 42.21 C ATOM 1625 CE2 PHE A 110 8.886 2.108 -4.532 1.00 44.42 C ATOM 1626 CZ PHE A 110 7.698 1.420 -4.661 1.00 74.43 C ATOM 0 H PHE A 110 10.967 -2.197 -7.002 1.00 11.24 H new ATOM 0 HA PHE A 110 10.064 -0.099 -8.834 1.00 24.01 H new ATOM 0 HB2 PHE A 110 11.841 -0.099 -6.400 1.00 71.30 H new ATOM 0 HB3 PHE A 110 11.572 1.304 -7.415 1.00 71.30 H new ATOM 0 HD1 PHE A 110 8.592 -0.745 -7.072 1.00 25.23 H new ATOM 0 HD2 PHE A 110 10.900 2.311 -5.200 1.00 72.10 H new ATOM 0 HE1 PHE A 110 6.666 -0.145 -5.678 1.00 42.21 H new ATOM 0 HE2 PHE A 110 8.966 2.915 -3.819 1.00 44.42 H new ATOM 0 HZ PHE A 110 6.850 1.685 -4.047 1.00 74.43 H new ATOM 1636 N PHE A 111 11.915 -0.896 -10.416 1.00 33.32 N ATOM 1637 CA PHE A 111 12.999 -1.096 -11.372 1.00 23.21 C ATOM 1638 C PHE A 111 13.411 0.234 -11.983 1.00 41.12 C ATOM 1639 O PHE A 111 14.554 0.417 -12.398 1.00 65.14 O ATOM 1640 CB PHE A 111 12.609 -2.127 -12.458 1.00 62.12 C ATOM 1641 CG PHE A 111 11.288 -1.875 -13.161 1.00 70.04 C ATOM 1642 CD1 PHE A 111 10.096 -2.338 -12.622 1.00 12.51 C ATOM 1643 CD2 PHE A 111 11.243 -1.190 -14.365 1.00 65.41 C ATOM 1644 CE1 PHE A 111 8.893 -2.121 -13.263 1.00 63.30 C ATOM 1645 CE2 PHE A 111 10.041 -0.969 -15.009 1.00 61.13 C ATOM 1646 CZ PHE A 111 8.865 -1.435 -14.458 1.00 45.23 C ATOM 0 H PHE A 111 10.983 -0.978 -10.822 1.00 33.32 H new ATOM 0 HA PHE A 111 13.858 -1.506 -10.840 1.00 23.21 H new ATOM 0 HB2 PHE A 111 13.399 -2.153 -13.208 1.00 62.12 H new ATOM 0 HB3 PHE A 111 12.572 -3.115 -11.999 1.00 62.12 H new ATOM 0 HD1 PHE A 111 10.110 -2.877 -11.686 1.00 12.51 H new ATOM 0 HD2 PHE A 111 12.159 -0.824 -14.805 1.00 65.41 H new ATOM 0 HE1 PHE A 111 7.975 -2.488 -12.829 1.00 63.30 H new ATOM 0 HE2 PHE A 111 10.022 -0.431 -15.945 1.00 61.13 H new ATOM 0 HZ PHE A 111 7.925 -1.263 -14.962 1.00 45.23 H new ATOM 1656 N ASN A 112 12.468 1.161 -12.014 1.00 32.20 N ATOM 1657 CA ASN A 112 12.738 2.506 -12.461 1.00 61.03 C ATOM 1658 C ASN A 112 12.801 3.440 -11.275 1.00 43.33 C ATOM 1659 O ASN A 112 12.213 3.177 -10.222 1.00 52.30 O ATOM 1660 CB ASN A 112 11.678 3.002 -13.453 1.00 14.31 C ATOM 1661 CG ASN A 112 11.846 2.440 -14.852 1.00 4.21 C ATOM 1662 OD1 ASN A 112 10.872 2.271 -15.585 1.00 55.24 O ATOM 1663 ND2 ASN A 112 13.075 2.153 -15.242 1.00 45.14 N ATOM 0 H ASN A 112 11.502 0.998 -11.731 1.00 32.20 H new ATOM 0 HA ASN A 112 13.699 2.495 -12.976 1.00 61.03 H new ATOM 0 HB2 ASN A 112 10.689 2.735 -13.079 1.00 14.31 H new ATOM 0 HB3 ASN A 112 11.718 4.090 -13.500 1.00 14.31 H new ATOM 0 HD21 ASN A 112 13.239 1.779 -16.177 1.00 45.14 H new ATOM 0 HD22 ASN A 112 13.860 2.305 -14.609 1.00 45.14 H new ATOM 1670 N GLU A 113 13.547 4.505 -11.455 1.00 24.12 N ATOM 1671 CA GLU A 113 13.621 5.590 -10.501 1.00 45.10 C ATOM 1672 C GLU A 113 12.432 6.530 -10.730 1.00 4.43 C ATOM 1673 O GLU A 113 11.952 6.653 -11.861 1.00 3.14 O ATOM 1674 CB GLU A 113 14.950 6.302 -10.729 1.00 14.15 C ATOM 1675 CG GLU A 113 15.414 7.190 -9.594 1.00 32.11 C ATOM 1676 CD GLU A 113 16.804 7.721 -9.843 1.00 23.43 C ATOM 1677 OE1 GLU A 113 16.929 8.797 -10.456 1.00 32.40 O ATOM 1678 OE2 GLU A 113 17.777 7.049 -9.445 1.00 43.31 O ATOM 0 H GLU A 113 14.129 4.645 -12.281 1.00 24.12 H new ATOM 0 HA GLU A 113 13.573 5.235 -9.471 1.00 45.10 H new ATOM 0 HB2 GLU A 113 15.717 5.551 -10.917 1.00 14.15 H new ATOM 0 HB3 GLU A 113 14.868 6.908 -11.632 1.00 14.15 H new ATOM 0 HG2 GLU A 113 14.721 8.023 -9.475 1.00 32.11 H new ATOM 0 HG3 GLU A 113 15.400 6.627 -8.661 1.00 32.11 H new ATOM 1685 N GLY A 114 11.945 7.172 -9.680 1.00 11.41 N ATOM 1686 CA GLY A 114 10.836 8.090 -9.837 1.00 62.25 C ATOM 1687 C GLY A 114 9.907 8.123 -8.651 1.00 72.20 C ATOM 1688 O GLY A 114 10.347 8.275 -7.514 1.00 62.31 O ATOM 0 H GLY A 114 12.295 7.075 -8.727 1.00 11.41 H new ATOM 0 HA2 GLY A 114 11.227 9.093 -10.010 1.00 62.25 H new ATOM 0 HA3 GLY A 114 10.268 7.812 -10.725 1.00 62.25 H new ATOM 1692 N GLU A 115 8.622 7.959 -8.923 1.00 25.24 N ATOM 1693 CA GLU A 115 7.585 8.149 -7.923 1.00 42.55 C ATOM 1694 C GLU A 115 6.535 7.048 -8.038 1.00 75.44 C ATOM 1695 O GLU A 115 5.927 6.863 -9.095 1.00 33.14 O ATOM 1696 CB GLU A 115 6.948 9.530 -8.119 1.00 1.12 C ATOM 1697 CG GLU A 115 5.909 9.896 -7.074 1.00 21.24 C ATOM 1698 CD GLU A 115 4.515 10.010 -7.654 1.00 75.33 C ATOM 1699 OE1 GLU A 115 3.867 8.968 -7.879 1.00 72.21 O ATOM 1700 OE2 GLU A 115 4.066 11.144 -7.893 1.00 12.12 O ATOM 0 H GLU A 115 8.270 7.691 -9.842 1.00 25.24 H new ATOM 0 HA GLU A 115 8.021 8.095 -6.926 1.00 42.55 H new ATOM 0 HB2 GLU A 115 7.735 10.284 -8.111 1.00 1.12 H new ATOM 0 HB3 GLU A 115 6.483 9.566 -9.104 1.00 1.12 H new ATOM 0 HG2 GLU A 115 5.910 9.143 -6.286 1.00 21.24 H new ATOM 0 HG3 GLU A 115 6.184 10.843 -6.610 1.00 21.24 H new ATOM 1707 N TYR A 116 6.344 6.313 -6.949 1.00 63.34 N ATOM 1708 CA TYR A 116 5.360 5.238 -6.904 1.00 22.45 C ATOM 1709 C TYR A 116 4.419 5.451 -5.733 1.00 45.15 C ATOM 1710 O TYR A 116 4.850 5.455 -4.582 1.00 3.11 O ATOM 1711 CB TYR A 116 6.027 3.863 -6.735 1.00 33.10 C ATOM 1712 CG TYR A 116 6.952 3.416 -7.853 1.00 12.15 C ATOM 1713 CD1 TYR A 116 8.262 3.875 -7.927 1.00 61.23 C ATOM 1714 CD2 TYR A 116 6.524 2.503 -8.807 1.00 74.10 C ATOM 1715 CE1 TYR A 116 9.112 3.448 -8.923 1.00 13.13 C ATOM 1716 CE2 TYR A 116 7.375 2.062 -9.804 1.00 52.20 C ATOM 1717 CZ TYR A 116 8.669 2.540 -9.857 1.00 4.01 C ATOM 1718 OH TYR A 116 9.526 2.110 -10.841 1.00 64.13 O ATOM 0 H TYR A 116 6.861 6.443 -6.080 1.00 63.34 H new ATOM 0 HA TYR A 116 4.817 5.256 -7.849 1.00 22.45 H new ATOM 0 HB2 TYR A 116 6.595 3.872 -5.805 1.00 33.10 H new ATOM 0 HB3 TYR A 116 5.242 3.115 -6.622 1.00 33.10 H new ATOM 0 HD1 TYR A 116 8.620 4.579 -7.190 1.00 61.23 H new ATOM 0 HD2 TYR A 116 5.511 2.131 -8.770 1.00 74.10 H new ATOM 0 HE1 TYR A 116 10.123 3.825 -8.971 1.00 13.13 H new ATOM 0 HE2 TYR A 116 7.029 1.348 -10.537 1.00 52.20 H new ATOM 0 HH TYR A 116 10.424 2.464 -10.670 1.00 64.13 H new ATOM 1728 N ILE A 117 3.140 5.632 -6.010 1.00 74.25 N ATOM 1729 CA ILE A 117 2.157 5.728 -4.943 1.00 44.40 C ATOM 1730 C ILE A 117 1.552 4.351 -4.694 1.00 0.21 C ATOM 1731 O ILE A 117 0.855 3.794 -5.547 1.00 52.12 O ATOM 1732 CB ILE A 117 1.045 6.773 -5.237 1.00 51.42 C ATOM 1733 CG1 ILE A 117 1.676 8.149 -5.497 1.00 73.34 C ATOM 1734 CG2 ILE A 117 0.068 6.853 -4.058 1.00 31.32 C ATOM 1735 CD1 ILE A 117 0.708 9.197 -6.007 1.00 43.22 C ATOM 0 H ILE A 117 2.760 5.715 -6.953 1.00 74.25 H new ATOM 0 HA ILE A 117 2.671 6.078 -4.048 1.00 44.40 H new ATOM 0 HB ILE A 117 0.494 6.463 -6.125 1.00 51.42 H new ATOM 0 HG12 ILE A 117 2.127 8.509 -4.572 1.00 73.34 H new ATOM 0 HG13 ILE A 117 2.482 8.034 -6.221 1.00 73.34 H new ATOM 0 HG21 ILE A 117 -0.706 7.589 -4.276 1.00 31.32 H new ATOM 0 HG22 ILE A 117 -0.392 5.878 -3.900 1.00 31.32 H new ATOM 0 HG23 ILE A 117 0.607 7.150 -3.158 1.00 31.32 H new ATOM 0 HD11 ILE A 117 1.238 10.137 -6.163 1.00 43.22 H new ATOM 0 HD12 ILE A 117 0.275 8.864 -6.950 1.00 43.22 H new ATOM 0 HD13 ILE A 117 -0.086 9.346 -5.275 1.00 43.22 H new ATOM 1747 N VAL A 118 1.878 3.790 -3.537 1.00 2.11 N ATOM 1748 CA VAL A 118 1.347 2.501 -3.134 1.00 31.01 C ATOM 1749 C VAL A 118 0.025 2.719 -2.409 1.00 24.12 C ATOM 1750 O VAL A 118 -0.046 3.507 -1.462 1.00 11.55 O ATOM 1751 CB VAL A 118 2.341 1.718 -2.227 1.00 21.03 C ATOM 1752 CG1 VAL A 118 1.811 0.329 -1.881 1.00 73.11 C ATOM 1753 CG2 VAL A 118 3.709 1.604 -2.892 1.00 35.21 C ATOM 0 H VAL A 118 2.512 4.213 -2.859 1.00 2.11 H new ATOM 0 HA VAL A 118 1.191 1.896 -4.027 1.00 31.01 H new ATOM 0 HB VAL A 118 2.445 2.282 -1.300 1.00 21.03 H new ATOM 0 HG11 VAL A 118 2.531 -0.188 -1.247 1.00 73.11 H new ATOM 0 HG12 VAL A 118 0.863 0.423 -1.351 1.00 73.11 H new ATOM 0 HG13 VAL A 118 1.660 -0.241 -2.797 1.00 73.11 H new ATOM 0 HG21 VAL A 118 4.386 1.053 -2.239 1.00 35.21 H new ATOM 0 HG22 VAL A 118 3.610 1.076 -3.840 1.00 35.21 H new ATOM 0 HG23 VAL A 118 4.110 2.601 -3.072 1.00 35.21 H new ATOM 1763 N SER A 119 -1.016 2.054 -2.880 1.00 73.10 N ATOM 1764 CA SER A 119 -2.328 2.173 -2.287 1.00 71.03 C ATOM 1765 C SER A 119 -2.735 0.847 -1.652 1.00 35.42 C ATOM 1766 O SER A 119 -2.557 -0.219 -2.238 1.00 2.11 O ATOM 1767 CB SER A 119 -3.353 2.609 -3.347 1.00 65.00 C ATOM 1768 OG SER A 119 -4.645 2.798 -2.792 1.00 10.22 O ATOM 0 H SER A 119 -0.972 1.422 -3.679 1.00 73.10 H new ATOM 0 HA SER A 119 -2.299 2.935 -1.508 1.00 71.03 H new ATOM 0 HB2 SER A 119 -3.020 3.536 -3.813 1.00 65.00 H new ATOM 0 HB3 SER A 119 -3.403 1.856 -4.134 1.00 65.00 H new ATOM 0 HG SER A 119 -4.672 3.651 -2.310 1.00 10.22 H new ATOM 1774 N LEU A 120 -3.256 0.931 -0.445 1.00 22.40 N ATOM 1775 CA LEU A 120 -3.827 -0.208 0.245 1.00 62.35 C ATOM 1776 C LEU A 120 -5.246 0.165 0.636 1.00 21.32 C ATOM 1777 O LEU A 120 -5.470 1.166 1.315 1.00 0.31 O ATOM 1778 CB LEU A 120 -2.940 -0.590 1.462 1.00 21.23 C ATOM 1779 CG LEU A 120 -3.317 -1.829 2.324 1.00 3.31 C ATOM 1780 CD1 LEU A 120 -4.325 -1.476 3.395 1.00 2.13 C ATOM 1781 CD2 LEU A 120 -3.830 -2.989 1.475 1.00 73.45 C ATOM 0 H LEU A 120 -3.295 1.799 0.089 1.00 22.40 H new ATOM 0 HA LEU A 120 -3.861 -1.093 -0.391 1.00 62.35 H new ATOM 0 HB2 LEU A 120 -1.927 -0.745 1.092 1.00 21.23 H new ATOM 0 HB3 LEU A 120 -2.908 0.273 2.127 1.00 21.23 H new ATOM 0 HG LEU A 120 -2.398 -2.155 2.810 1.00 3.31 H new ATOM 0 HD11 LEU A 120 -4.564 -2.366 3.977 1.00 2.13 H new ATOM 0 HD12 LEU A 120 -3.906 -0.714 4.052 1.00 2.13 H new ATOM 0 HD13 LEU A 120 -5.232 -1.093 2.928 1.00 2.13 H new ATOM 0 HD21 LEU A 120 -4.080 -3.830 2.121 1.00 73.45 H new ATOM 0 HD22 LEU A 120 -4.719 -2.675 0.928 1.00 73.45 H new ATOM 0 HD23 LEU A 120 -3.058 -3.292 0.768 1.00 73.45 H new ATOM 1793 N ILE A 121 -6.198 -0.627 0.183 1.00 74.02 N ATOM 1794 CA ILE A 121 -7.578 -0.456 0.576 1.00 35.34 C ATOM 1795 C ILE A 121 -8.075 -1.757 1.182 1.00 65.33 C ATOM 1796 O ILE A 121 -7.976 -2.822 0.584 1.00 3.45 O ATOM 1797 CB ILE A 121 -8.481 0.073 -0.601 1.00 2.02 C ATOM 1798 CG1 ILE A 121 -9.999 0.143 -0.223 1.00 52.54 C ATOM 1799 CG2 ILE A 121 -8.239 -0.688 -1.908 1.00 52.21 C ATOM 1800 CD1 ILE A 121 -10.851 -1.087 -0.542 1.00 11.24 C ATOM 0 H ILE A 121 -6.036 -1.400 -0.462 1.00 74.02 H new ATOM 0 HA ILE A 121 -7.645 0.325 1.334 1.00 35.34 H new ATOM 0 HB ILE A 121 -8.170 1.103 -0.778 1.00 2.02 H new ATOM 0 HG12 ILE A 121 -10.073 0.338 0.847 1.00 52.54 H new ATOM 0 HG13 ILE A 121 -10.436 1.000 -0.735 1.00 52.54 H new ATOM 0 HG21 ILE A 121 -8.885 -0.286 -2.688 1.00 52.21 H new ATOM 0 HG22 ILE A 121 -7.197 -0.576 -2.207 1.00 52.21 H new ATOM 0 HG23 ILE A 121 -8.463 -1.745 -1.761 1.00 52.21 H new ATOM 0 HD11 ILE A 121 -11.880 -0.908 -0.231 1.00 11.24 H new ATOM 0 HD12 ILE A 121 -10.825 -1.279 -1.615 1.00 11.24 H new ATOM 0 HD13 ILE A 121 -10.456 -1.952 -0.009 1.00 11.24 H new ATOM 1812 N VAL A 122 -8.564 -1.654 2.400 1.00 12.41 N ATOM 1813 CA VAL A 122 -9.152 -2.784 3.092 1.00 52.55 C ATOM 1814 C VAL A 122 -10.635 -2.548 3.290 1.00 24.03 C ATOM 1815 O VAL A 122 -11.097 -1.408 3.263 1.00 74.03 O ATOM 1816 CB VAL A 122 -8.477 -3.068 4.456 1.00 12.43 C ATOM 1817 CG1 VAL A 122 -7.120 -3.708 4.251 1.00 14.41 C ATOM 1818 CG2 VAL A 122 -8.333 -1.803 5.279 1.00 0.33 C ATOM 0 H VAL A 122 -8.566 -0.787 2.938 1.00 12.41 H new ATOM 0 HA VAL A 122 -8.991 -3.663 2.467 1.00 52.55 H new ATOM 0 HB VAL A 122 -9.120 -3.757 5.004 1.00 12.43 H new ATOM 0 HG11 VAL A 122 -6.659 -3.901 5.220 1.00 14.41 H new ATOM 0 HG12 VAL A 122 -7.239 -4.648 3.712 1.00 14.41 H new ATOM 0 HG13 VAL A 122 -6.484 -3.036 3.674 1.00 14.41 H new ATOM 0 HG21 VAL A 122 -7.855 -2.040 6.230 1.00 0.33 H new ATOM 0 HG22 VAL A 122 -7.722 -1.083 4.735 1.00 0.33 H new ATOM 0 HG23 VAL A 122 -9.318 -1.376 5.465 1.00 0.33 H new ATOM 1828 N SER A 123 -11.377 -3.614 3.488 1.00 41.53 N ATOM 1829 CA SER A 123 -12.813 -3.509 3.591 1.00 60.14 C ATOM 1830 C SER A 123 -13.369 -4.493 4.603 1.00 2.40 C ATOM 1831 O SER A 123 -12.735 -5.494 4.946 1.00 24.43 O ATOM 1832 CB SER A 123 -13.462 -3.709 2.215 1.00 0.44 C ATOM 1833 OG SER A 123 -13.013 -4.896 1.591 1.00 33.22 O ATOM 0 H SER A 123 -11.010 -4.561 3.581 1.00 41.53 H new ATOM 0 HA SER A 123 -13.055 -2.507 3.945 1.00 60.14 H new ATOM 0 HB2 SER A 123 -14.546 -3.744 2.326 1.00 0.44 H new ATOM 0 HB3 SER A 123 -13.234 -2.855 1.578 1.00 0.44 H new ATOM 0 HG SER A 123 -13.448 -4.992 0.718 1.00 33.22 H new ATOM 1839 N ASN A 124 -14.536 -4.149 5.103 1.00 43.51 N ATOM 1840 CA ASN A 124 -15.319 -5.000 5.975 1.00 71.44 C ATOM 1841 C ASN A 124 -16.708 -5.114 5.331 1.00 23.14 C ATOM 1842 O ASN A 124 -16.875 -4.701 4.181 1.00 42.31 O ATOM 1843 CB ASN A 124 -15.381 -4.359 7.377 1.00 73.42 C ATOM 1844 CG ASN A 124 -15.651 -5.347 8.499 1.00 12.10 C ATOM 1845 OD1 ASN A 124 -16.800 -5.623 8.832 1.00 30.54 O ATOM 1846 ND2 ASN A 124 -14.592 -5.868 9.101 1.00 1.52 N ATOM 0 H ASN A 124 -14.977 -3.250 4.911 1.00 43.51 H new ATOM 0 HA ASN A 124 -14.887 -5.993 6.096 1.00 71.44 H new ATOM 0 HB2 ASN A 124 -14.437 -3.850 7.574 1.00 73.42 H new ATOM 0 HB3 ASN A 124 -16.161 -3.597 7.382 1.00 73.42 H new ATOM 0 HD21 ASN A 124 -14.715 -6.525 9.872 1.00 1.52 H new ATOM 0 HD22 ASN A 124 -13.654 -5.612 8.794 1.00 1.52 H new ATOM 1853 N GLU A 125 -17.697 -5.645 6.045 1.00 3.22 N ATOM 1854 CA GLU A 125 -19.086 -5.640 5.563 1.00 14.35 C ATOM 1855 C GLU A 125 -19.752 -4.273 5.801 1.00 13.01 C ATOM 1856 O GLU A 125 -20.856 -4.012 5.317 1.00 24.21 O ATOM 1857 CB GLU A 125 -19.888 -6.757 6.244 1.00 12.42 C ATOM 1858 CG GLU A 125 -19.928 -6.672 7.768 1.00 5.12 C ATOM 1859 CD GLU A 125 -20.682 -7.822 8.390 1.00 13.12 C ATOM 1860 OE1 GLU A 125 -20.066 -8.884 8.613 1.00 63.52 O ATOM 1861 OE2 GLU A 125 -21.890 -7.674 8.656 1.00 72.22 O ATOM 0 H GLU A 125 -17.569 -6.084 6.957 1.00 3.22 H new ATOM 0 HA GLU A 125 -19.074 -5.822 4.488 1.00 14.35 H new ATOM 0 HB2 GLU A 125 -20.910 -6.736 5.865 1.00 12.42 H new ATOM 0 HB3 GLU A 125 -19.462 -7.719 5.958 1.00 12.42 H new ATOM 0 HG2 GLU A 125 -18.909 -6.658 8.155 1.00 5.12 H new ATOM 0 HG3 GLU A 125 -20.395 -5.733 8.064 1.00 5.12 H new ATOM 1868 N ASN A 126 -19.052 -3.408 6.530 1.00 54.02 N ATOM 1869 CA ASN A 126 -19.568 -2.102 6.925 1.00 24.02 C ATOM 1870 C ASN A 126 -19.072 -1.012 5.987 1.00 21.30 C ATOM 1871 O ASN A 126 -19.860 -0.317 5.350 1.00 41.20 O ATOM 1872 CB ASN A 126 -19.101 -1.767 8.348 1.00 62.31 C ATOM 1873 CG ASN A 126 -19.427 -2.847 9.355 1.00 62.42 C ATOM 1874 OD1 ASN A 126 -20.469 -3.494 9.288 1.00 51.34 O ATOM 1875 ND2 ASN A 126 -18.512 -3.074 10.277 1.00 14.52 N ATOM 0 H ASN A 126 -18.107 -3.595 6.864 1.00 54.02 H new ATOM 0 HA ASN A 126 -20.656 -2.146 6.881 1.00 24.02 H new ATOM 0 HB2 ASN A 126 -18.024 -1.601 8.340 1.00 62.31 H new ATOM 0 HB3 ASN A 126 -19.565 -0.833 8.665 1.00 62.31 H new ATOM 0 HD21 ASN A 126 -18.657 -3.810 10.969 1.00 14.52 H new ATOM 0 HD22 ASN A 126 -17.660 -2.514 10.298 1.00 14.52 H new ATOM 1882 N ASP A 127 -17.748 -0.901 5.893 1.00 45.51 N ATOM 1883 CA ASP A 127 -17.101 0.241 5.262 1.00 43.21 C ATOM 1884 C ASP A 127 -15.818 -0.211 4.562 1.00 22.22 C ATOM 1885 O ASP A 127 -15.328 -1.313 4.809 1.00 70.51 O ATOM 1886 CB ASP A 127 -16.812 1.287 6.362 1.00 3.02 C ATOM 1887 CG ASP A 127 -16.233 2.599 5.864 1.00 24.34 C ATOM 1888 OD1 ASP A 127 -16.867 3.252 5.015 1.00 40.22 O ATOM 1889 OD2 ASP A 127 -15.140 2.979 6.334 1.00 44.41 O ATOM 0 H ASP A 127 -17.098 -1.600 6.252 1.00 45.51 H new ATOM 0 HA ASP A 127 -17.743 0.686 4.502 1.00 43.21 H new ATOM 0 HB2 ASP A 127 -17.739 1.496 6.896 1.00 3.02 H new ATOM 0 HB3 ASP A 127 -16.120 0.852 7.083 1.00 3.02 H new ATOM 1894 N SER A 128 -15.308 0.612 3.654 1.00 21.21 N ATOM 1895 CA SER A 128 -13.994 0.400 3.062 1.00 40.13 C ATOM 1896 C SER A 128 -13.108 1.599 3.373 1.00 1.55 C ATOM 1897 O SER A 128 -13.516 2.747 3.189 1.00 41.14 O ATOM 1898 CB SER A 128 -14.102 0.210 1.548 1.00 50.42 C ATOM 1899 OG SER A 128 -14.978 -0.853 1.227 1.00 50.44 O ATOM 0 H SER A 128 -15.791 1.441 3.309 1.00 21.21 H new ATOM 0 HA SER A 128 -13.557 -0.504 3.486 1.00 40.13 H new ATOM 0 HB2 SER A 128 -14.460 1.131 1.088 1.00 50.42 H new ATOM 0 HB3 SER A 128 -13.114 0.009 1.133 1.00 50.42 H new ATOM 0 HG SER A 128 -15.030 -0.951 0.253 1.00 50.44 H new ATOM 1905 N ASP A 129 -11.907 1.329 3.852 1.00 32.10 N ATOM 1906 CA ASP A 129 -10.967 2.379 4.213 1.00 3.34 C ATOM 1907 C ASP A 129 -9.698 2.228 3.387 1.00 41.45 C ATOM 1908 O ASP A 129 -9.131 1.139 3.314 1.00 52.33 O ATOM 1909 CB ASP A 129 -10.646 2.303 5.708 1.00 64.22 C ATOM 1910 CG ASP A 129 -9.882 3.508 6.214 1.00 51.23 C ATOM 1911 OD1 ASP A 129 -10.510 4.552 6.470 1.00 70.20 O ATOM 1912 OD2 ASP A 129 -8.653 3.420 6.374 1.00 61.41 O ATOM 0 H ASP A 129 -11.556 0.383 4.002 1.00 32.10 H new ATOM 0 HA ASP A 129 -11.411 3.352 4.006 1.00 3.34 H new ATOM 0 HB2 ASP A 129 -11.576 2.208 6.269 1.00 64.22 H new ATOM 0 HB3 ASP A 129 -10.063 1.403 5.903 1.00 64.22 H new ATOM 1917 N SER A 130 -9.266 3.312 2.751 1.00 13.25 N ATOM 1918 CA SER A 130 -8.066 3.292 1.929 1.00 10.41 C ATOM 1919 C SER A 130 -7.060 4.335 2.392 1.00 34.02 C ATOM 1920 O SER A 130 -7.428 5.374 2.950 1.00 2.51 O ATOM 1921 CB SER A 130 -8.417 3.528 0.456 1.00 34.20 C ATOM 1922 OG SER A 130 -9.210 4.696 0.290 1.00 22.12 O ATOM 0 H SER A 130 -9.733 4.218 2.791 1.00 13.25 H new ATOM 0 HA SER A 130 -7.613 2.306 2.035 1.00 10.41 H new ATOM 0 HB2 SER A 130 -7.501 3.623 -0.127 1.00 34.20 H new ATOM 0 HB3 SER A 130 -8.954 2.664 0.066 1.00 34.20 H new ATOM 0 HG SER A 130 -9.415 4.820 -0.660 1.00 22.12 H new ATOM 1928 N ALA A 131 -5.792 4.026 2.174 1.00 35.40 N ATOM 1929 CA ALA A 131 -4.704 4.955 2.420 1.00 45.02 C ATOM 1930 C ALA A 131 -3.629 4.752 1.385 1.00 24.51 C ATOM 1931 O ALA A 131 -3.446 3.652 0.856 1.00 43.31 O ATOM 1932 CB ALA A 131 -4.140 4.795 3.829 1.00 75.15 C ATOM 0 H ALA A 131 -5.488 3.119 1.820 1.00 35.40 H new ATOM 0 HA ALA A 131 -5.090 5.972 2.343 1.00 45.02 H new ATOM 0 HB1 ALA A 131 -3.327 5.506 3.979 1.00 75.15 H new ATOM 0 HB2 ALA A 131 -4.927 4.984 4.559 1.00 75.15 H new ATOM 0 HB3 ALA A 131 -3.763 3.780 3.957 1.00 75.15 H new ATOM 1938 N SER A 132 -2.952 5.833 1.068 1.00 43.12 N ATOM 1939 CA SER A 132 -1.941 5.829 0.044 1.00 44.14 C ATOM 1940 C SER A 132 -0.734 6.631 0.503 1.00 44.42 C ATOM 1941 O SER A 132 -0.868 7.576 1.288 1.00 3.43 O ATOM 1942 CB SER A 132 -2.522 6.416 -1.239 1.00 75.40 C ATOM 1943 OG SER A 132 -3.607 5.640 -1.721 1.00 44.54 O ATOM 0 H SER A 132 -3.090 6.739 1.516 1.00 43.12 H new ATOM 0 HA SER A 132 -1.618 4.806 -0.149 1.00 44.14 H new ATOM 0 HB2 SER A 132 -2.857 7.437 -1.054 1.00 75.40 H new ATOM 0 HB3 SER A 132 -1.744 6.469 -2.001 1.00 75.40 H new ATOM 0 HG SER A 132 -3.958 6.043 -2.543 1.00 44.54 H new ATOM 1949 N VAL A 133 0.441 6.251 0.029 1.00 13.05 N ATOM 1950 CA VAL A 133 1.658 6.954 0.384 1.00 2.35 C ATOM 1951 C VAL A 133 2.561 7.085 -0.847 1.00 34.54 C ATOM 1952 O VAL A 133 2.762 6.125 -1.601 1.00 72.31 O ATOM 1953 CB VAL A 133 2.388 6.283 1.599 1.00 13.33 C ATOM 1954 CG1 VAL A 133 2.788 4.837 1.325 1.00 35.11 C ATOM 1955 CG2 VAL A 133 3.600 7.096 2.046 1.00 71.42 C ATOM 0 H VAL A 133 0.576 5.461 -0.601 1.00 13.05 H new ATOM 0 HA VAL A 133 1.397 7.959 0.716 1.00 2.35 H new ATOM 0 HB VAL A 133 1.662 6.268 2.412 1.00 13.33 H new ATOM 0 HG11 VAL A 133 3.289 4.426 2.201 1.00 35.11 H new ATOM 0 HG12 VAL A 133 1.897 4.248 1.107 1.00 35.11 H new ATOM 0 HG13 VAL A 133 3.464 4.802 0.471 1.00 35.11 H new ATOM 0 HG21 VAL A 133 4.080 6.600 2.890 1.00 71.42 H new ATOM 0 HG22 VAL A 133 4.308 7.176 1.221 1.00 71.42 H new ATOM 0 HG23 VAL A 133 3.278 8.093 2.347 1.00 71.42 H new ATOM 1965 N THR A 134 3.038 8.302 -1.071 1.00 42.32 N ATOM 1966 CA THR A 134 3.940 8.598 -2.169 1.00 72.12 C ATOM 1967 C THR A 134 5.370 8.199 -1.791 1.00 74.22 C ATOM 1968 O THR A 134 6.002 8.825 -0.933 1.00 63.25 O ATOM 1969 CB THR A 134 3.872 10.102 -2.527 1.00 34.22 C ATOM 1970 OG1 THR A 134 2.510 10.479 -2.767 1.00 12.14 O ATOM 1971 CG2 THR A 134 4.698 10.427 -3.759 1.00 42.40 C ATOM 0 H THR A 134 2.808 9.111 -0.494 1.00 42.32 H new ATOM 0 HA THR A 134 3.636 8.023 -3.044 1.00 72.12 H new ATOM 0 HB THR A 134 4.280 10.660 -1.684 1.00 34.22 H new ATOM 0 HG1 THR A 134 2.469 11.432 -2.992 1.00 12.14 H new ATOM 0 HG21 THR A 134 4.623 11.492 -3.976 1.00 42.40 H new ATOM 0 HG22 THR A 134 5.741 10.166 -3.577 1.00 42.40 H new ATOM 0 HG23 THR A 134 4.324 9.856 -4.609 1.00 42.40 H new ATOM 1979 N ILE A 135 5.850 7.131 -2.413 1.00 24.13 N ATOM 1980 CA ILE A 135 7.188 6.615 -2.158 1.00 13.44 C ATOM 1981 C ILE A 135 8.158 7.281 -3.120 1.00 54.11 C ATOM 1982 O ILE A 135 7.900 7.357 -4.326 1.00 51.14 O ATOM 1983 CB ILE A 135 7.260 5.063 -2.325 1.00 70.14 C ATOM 1984 CG1 ILE A 135 6.146 4.360 -1.520 1.00 41.41 C ATOM 1985 CG2 ILE A 135 8.631 4.515 -1.911 1.00 42.32 C ATOM 1986 CD1 ILE A 135 6.164 4.648 -0.031 1.00 71.34 C ATOM 0 H ILE A 135 5.325 6.599 -3.107 1.00 24.13 H new ATOM 0 HA ILE A 135 7.453 6.842 -1.125 1.00 13.44 H new ATOM 0 HB ILE A 135 7.111 4.850 -3.384 1.00 70.14 H new ATOM 0 HG12 ILE A 135 5.179 4.662 -1.923 1.00 41.41 H new ATOM 0 HG13 ILE A 135 6.232 3.284 -1.669 1.00 41.41 H new ATOM 0 HG21 ILE A 135 8.644 3.433 -2.040 1.00 42.32 H new ATOM 0 HG22 ILE A 135 9.405 4.964 -2.533 1.00 42.32 H new ATOM 0 HG23 ILE A 135 8.819 4.758 -0.865 1.00 42.32 H new ATOM 0 HD11 ILE A 135 5.347 4.113 0.453 1.00 71.34 H new ATOM 0 HD12 ILE A 135 7.114 4.320 0.392 1.00 71.34 H new ATOM 0 HD13 ILE A 135 6.044 5.719 0.134 1.00 71.34 H new ATOM 1998 N ARG A 136 9.269 7.764 -2.584 1.00 64.23 N ATOM 1999 CA ARG A 136 10.228 8.502 -3.377 1.00 70.30 C ATOM 2000 C ARG A 136 11.417 7.614 -3.696 1.00 33.11 C ATOM 2001 O ARG A 136 12.083 7.107 -2.793 1.00 13.54 O ATOM 2002 CB ARG A 136 10.695 9.761 -2.641 1.00 43.24 C ATOM 2003 CG ARG A 136 9.578 10.742 -2.319 1.00 4.31 C ATOM 2004 CD ARG A 136 10.091 11.942 -1.539 1.00 12.31 C ATOM 2005 NE ARG A 136 11.001 12.780 -2.330 1.00 41.51 N ATOM 2006 CZ ARG A 136 11.779 13.749 -1.831 1.00 22.43 C ATOM 2007 NH1 ARG A 136 11.830 13.986 -0.526 1.00 10.20 N ATOM 2008 NH2 ARG A 136 12.524 14.474 -2.654 1.00 61.41 N ATOM 0 H ARG A 136 9.525 7.656 -1.602 1.00 64.23 H new ATOM 0 HA ARG A 136 9.746 8.811 -4.304 1.00 70.30 H new ATOM 0 HB2 ARG A 136 11.184 9.466 -1.713 1.00 43.24 H new ATOM 0 HB3 ARG A 136 11.445 10.267 -3.249 1.00 43.24 H new ATOM 0 HG2 ARG A 136 9.114 11.081 -3.245 1.00 4.31 H new ATOM 0 HG3 ARG A 136 8.805 10.236 -1.741 1.00 4.31 H new ATOM 0 HD2 ARG A 136 9.245 12.544 -1.206 1.00 12.31 H new ATOM 0 HD3 ARG A 136 10.607 11.596 -0.644 1.00 12.31 H new ATOM 0 HE ARG A 136 11.044 12.611 -3.335 1.00 41.51 H new ATOM 0 HH11 ARG A 136 11.270 13.425 0.116 1.00 10.20 H new ATOM 0 HH12 ARG A 136 12.429 14.729 -0.166 1.00 10.20 H new ATOM 0 HH21 ARG A 136 12.501 14.291 -3.657 1.00 61.41 H new ATOM 0 HH22 ARG A 136 13.120 15.214 -2.284 1.00 61.41 H new ATOM 2022 N ALA A 137 11.647 7.409 -4.980 1.00 53.23 N ATOM 2023 CA ALA A 137 12.806 6.683 -5.452 1.00 51.31 C ATOM 2024 C ALA A 137 13.720 7.654 -6.183 1.00 61.42 C ATOM 2025 O ALA A 137 13.372 8.166 -7.243 1.00 4.20 O ATOM 2026 CB ALA A 137 12.372 5.539 -6.352 1.00 31.43 C ATOM 0 H ALA A 137 11.034 7.742 -5.724 1.00 53.23 H new ATOM 0 HA ALA A 137 13.351 6.249 -4.614 1.00 51.31 H new ATOM 0 HB1 ALA A 137 13.251 4.998 -6.703 1.00 31.43 H new ATOM 0 HB2 ALA A 137 11.728 4.861 -5.793 1.00 31.43 H new ATOM 0 HB3 ALA A 137 11.825 5.936 -7.207 1.00 31.43 H new ATOM 2032 N LEU A 138 14.868 7.933 -5.593 1.00 21.20 N ATOM 2033 CA LEU A 138 15.751 8.983 -6.074 1.00 45.45 C ATOM 2034 C LEU A 138 17.160 8.489 -6.323 1.00 14.34 C ATOM 2035 O LEU A 138 17.471 7.325 -6.062 1.00 34.22 O ATOM 2036 CB LEU A 138 15.760 10.176 -5.119 1.00 12.44 C ATOM 2037 CG LEU A 138 15.778 9.893 -3.617 1.00 42.31 C ATOM 2038 CD1 LEU A 138 17.160 9.514 -3.096 1.00 44.43 C ATOM 2039 CD2 LEU A 138 15.280 11.124 -2.938 1.00 2.14 C ATOM 0 H LEU A 138 15.215 7.441 -4.770 1.00 21.20 H new ATOM 0 HA LEU A 138 15.351 9.308 -7.034 1.00 45.45 H new ATOM 0 HB2 LEU A 138 16.632 10.785 -5.354 1.00 12.44 H new ATOM 0 HB3 LEU A 138 14.880 10.782 -5.334 1.00 12.44 H new ATOM 0 HG LEU A 138 15.144 9.032 -3.407 1.00 42.31 H new ATOM 0 HD11 LEU A 138 17.106 9.326 -2.024 1.00 44.43 H new ATOM 0 HD12 LEU A 138 17.507 8.615 -3.605 1.00 44.43 H new ATOM 0 HD13 LEU A 138 17.857 10.330 -3.286 1.00 44.43 H new ATOM 0 HD21 LEU A 138 15.275 10.968 -1.859 1.00 2.14 H new ATOM 0 HD22 LEU A 138 15.933 11.963 -3.180 1.00 2.14 H new ATOM 0 HD23 LEU A 138 14.267 11.342 -3.277 1.00 2.14 H new