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 -40:sc= 0.349 USER MOD Set 1.2: A 132 SER OG : rot 16:sc= 0.816 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.336 USER MOD Set 2.2: A 109 THR OG1 : rot -67:sc= 0.464 USER MOD Set 3.1: A 10 THR OG1 : rot -102:sc= 0.577 USER MOD Set 3.2: A 12 ASN : amide:sc= 0.529 K(o=1.1,f=-0.0068) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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 -78:sc= 0.167 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0.372 (180deg=0.343) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.39) 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 141:sc= 0 (180deg=-0.429) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 116 TYR OH : rot 164:sc= -0.178 USER MOD Single : A 123 SER OG : rot 180:sc= -0.302 USER MOD Single : A 124 ASN : amide:sc= 0.373 K(o=0.37,f=-3.5!) USER MOD Single : A 126 ASN : amide:sc= -1.83 X(o=-1.8,f=-2.2) 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 -43.908 -45.738 10.629 1.00 51.43 N ATOM 35 CA ALA A 3 -44.409 -44.917 11.716 1.00 25.42 C ATOM 36 C ALA A 3 -43.272 -44.618 12.686 1.00 54.10 C ATOM 37 O ALA A 3 -42.971 -45.417 13.581 1.00 22.50 O ATOM 38 CB ALA A 3 -45.585 -45.586 12.416 1.00 22.42 C ATOM 0 HA ALA A 3 -44.781 -43.975 11.312 1.00 25.42 H new ATOM 0 HB1 ALA A 3 -45.938 -44.947 13.225 1.00 22.42 H new ATOM 0 HB2 ALA A 3 -46.392 -45.745 11.701 1.00 22.42 H new ATOM 0 HB3 ALA A 3 -45.268 -46.546 12.824 1.00 22.42 H new ATOM 44 N ARG A 4 -42.609 -43.488 12.455 1.00 34.12 N ATOM 45 CA ARG A 4 -41.473 -43.071 13.263 1.00 54.30 C ATOM 46 C ARG A 4 -41.974 -42.381 14.527 1.00 62.41 C ATOM 47 O ARG A 4 -42.668 -41.361 14.463 1.00 1.11 O ATOM 48 CB ARG A 4 -40.557 -42.140 12.451 1.00 0.23 C ATOM 49 CG ARG A 4 -39.276 -41.737 13.172 1.00 72.21 C ATOM 50 CD ARG A 4 -38.328 -40.958 12.268 1.00 12.41 C ATOM 51 NE ARG A 4 -38.771 -39.583 12.022 1.00 11.42 N ATOM 52 CZ ARG A 4 -38.923 -39.044 10.807 1.00 43.33 C ATOM 53 NH1 ARG A 4 -38.817 -39.788 9.712 1.00 52.53 N ATOM 54 NH2 ARG A 4 -39.206 -37.753 10.691 1.00 21.10 N ATOM 0 H ARG A 4 -42.845 -42.839 11.704 1.00 34.12 H new ATOM 0 HA ARG A 4 -40.890 -43.946 13.551 1.00 54.30 H new ATOM 0 HB2 ARG A 4 -40.294 -42.634 11.515 1.00 0.23 H new ATOM 0 HB3 ARG A 4 -41.113 -41.239 12.191 1.00 0.23 H new ATOM 0 HG2 ARG A 4 -39.526 -41.130 14.042 1.00 72.21 H new ATOM 0 HG3 ARG A 4 -38.772 -42.630 13.541 1.00 72.21 H new ATOM 0 HD2 ARG A 4 -37.337 -40.939 12.721 1.00 12.41 H new ATOM 0 HD3 ARG A 4 -38.233 -41.479 11.315 1.00 12.41 H new ATOM 0 HE ARG A 4 -38.977 -38.998 12.831 1.00 11.42 H new ATOM 0 HH11 ARG A 4 -38.617 -40.785 9.790 1.00 52.53 H new ATOM 0 HH12 ARG A 4 -38.936 -39.362 8.793 1.00 52.53 H new ATOM 0 HH21 ARG A 4 -39.307 -37.176 11.526 1.00 21.10 H new ATOM 0 HH22 ARG A 4 -39.323 -37.338 9.767 1.00 21.10 H new ATOM 68 N ASP A 5 -41.659 -42.986 15.659 1.00 12.11 N ATOM 69 CA ASP A 5 -42.026 -42.457 16.963 1.00 34.22 C ATOM 70 C ASP A 5 -40.763 -42.032 17.715 1.00 11.14 C ATOM 71 O ASP A 5 -39.804 -42.804 17.816 1.00 21.21 O ATOM 72 CB ASP A 5 -42.801 -43.529 17.752 1.00 5.42 C ATOM 73 CG ASP A 5 -43.331 -43.034 19.084 1.00 1.02 C ATOM 74 OD1 ASP A 5 -44.363 -42.339 19.092 1.00 4.42 O ATOM 75 OD2 ASP A 5 -42.715 -43.339 20.127 1.00 63.34 O ATOM 0 H ASP A 5 -41.139 -43.862 15.701 1.00 12.11 H new ATOM 0 HA ASP A 5 -42.668 -41.584 16.843 1.00 34.22 H new ATOM 0 HB2 ASP A 5 -43.636 -43.882 17.146 1.00 5.42 H new ATOM 0 HB3 ASP A 5 -42.148 -44.385 17.925 1.00 5.42 H new ATOM 80 N ASN A 6 -40.752 -40.802 18.226 1.00 21.25 N ATOM 81 CA ASN A 6 -39.603 -40.304 18.974 1.00 21.14 C ATOM 82 C ASN A 6 -40.006 -39.971 20.408 1.00 53.05 C ATOM 83 O ASN A 6 -41.176 -39.687 20.690 1.00 21.04 O ATOM 84 CB ASN A 6 -38.961 -39.079 18.276 1.00 43.31 C ATOM 85 CG ASN A 6 -39.721 -37.770 18.452 1.00 54.20 C ATOM 86 OD1 ASN A 6 -39.473 -37.017 19.392 1.00 14.42 O ATOM 87 ND2 ASN A 6 -40.627 -37.480 17.541 1.00 40.33 N ATOM 0 H ASN A 6 -41.521 -40.137 18.136 1.00 21.25 H new ATOM 0 HA ASN A 6 -38.851 -41.092 19.002 1.00 21.14 H new ATOM 0 HB2 ASN A 6 -37.949 -38.949 18.660 1.00 43.31 H new ATOM 0 HB3 ASN A 6 -38.873 -39.291 17.210 1.00 43.31 H new ATOM 0 HD21 ASN A 6 -41.150 -36.606 17.602 1.00 40.33 H new ATOM 0 HD22 ASN A 6 -40.806 -38.129 16.775 1.00 40.33 H new ATOM 94 N LYS A 7 -39.030 -40.043 21.307 1.00 51.03 N ATOM 95 CA LYS A 7 -39.193 -39.643 22.704 1.00 2.05 C ATOM 96 C LYS A 7 -37.974 -38.837 23.140 1.00 34.43 C ATOM 97 O LYS A 7 -36.890 -38.989 22.572 1.00 53.01 O ATOM 98 CB LYS A 7 -39.371 -40.860 23.629 1.00 43.15 C ATOM 99 CG LYS A 7 -40.701 -41.582 23.466 1.00 53.50 C ATOM 100 CD LYS A 7 -40.781 -42.798 24.369 1.00 64.50 C ATOM 101 CE LYS A 7 -42.085 -43.554 24.185 1.00 31.04 C ATOM 102 NZ LYS A 7 -42.190 -44.701 25.122 1.00 25.41 N ATOM 0 H LYS A 7 -38.094 -40.384 21.086 1.00 51.03 H new ATOM 0 HA LYS A 7 -40.095 -39.035 22.782 1.00 2.05 H new ATOM 0 HB2 LYS A 7 -38.562 -41.566 23.441 1.00 43.15 H new ATOM 0 HB3 LYS A 7 -39.273 -40.532 24.664 1.00 43.15 H new ATOM 0 HG2 LYS A 7 -41.519 -40.900 23.698 1.00 53.50 H new ATOM 0 HG3 LYS A 7 -40.826 -41.888 22.427 1.00 53.50 H new ATOM 0 HD2 LYS A 7 -39.943 -43.463 24.158 1.00 64.50 H new ATOM 0 HD3 LYS A 7 -40.686 -42.485 25.409 1.00 64.50 H new ATOM 0 HE2 LYS A 7 -42.924 -42.877 24.343 1.00 31.04 H new ATOM 0 HE3 LYS A 7 -42.155 -43.914 23.159 1.00 31.04 H new ATOM 0 HZ1 LYS A 7 -43.093 -45.194 24.968 1.00 25.41 H new ATOM 0 HZ2 LYS A 7 -41.403 -45.360 24.954 1.00 25.41 H new ATOM 0 HZ3 LYS A 7 -42.148 -44.354 26.102 1.00 25.41 H new ATOM 116 N PHE A 8 -38.157 -37.980 24.137 1.00 61.34 N ATOM 117 CA PHE A 8 -37.095 -37.093 24.601 1.00 44.31 C ATOM 118 C PHE A 8 -37.117 -36.948 26.125 1.00 64.13 C ATOM 119 O PHE A 8 -38.147 -37.167 26.767 1.00 64.43 O ATOM 120 CB PHE A 8 -37.196 -35.702 23.924 1.00 3.53 C ATOM 121 CG PHE A 8 -38.446 -34.907 24.236 1.00 61.22 C ATOM 122 CD1 PHE A 8 -39.649 -35.193 23.611 1.00 21.33 C ATOM 123 CD2 PHE A 8 -38.411 -33.863 25.148 1.00 42.41 C ATOM 124 CE1 PHE A 8 -40.785 -34.464 23.891 1.00 13.44 C ATOM 125 CE2 PHE A 8 -39.547 -33.128 25.428 1.00 51.24 C ATOM 126 CZ PHE A 8 -40.734 -33.431 24.800 1.00 11.33 C ATOM 0 H PHE A 8 -39.037 -37.880 24.643 1.00 61.34 H new ATOM 0 HA PHE A 8 -36.145 -37.545 24.318 1.00 44.31 H new ATOM 0 HB2 PHE A 8 -36.329 -35.111 24.220 1.00 3.53 H new ATOM 0 HB3 PHE A 8 -37.135 -35.839 22.844 1.00 3.53 H new ATOM 0 HD1 PHE A 8 -39.697 -35.999 22.894 1.00 21.33 H new ATOM 0 HD2 PHE A 8 -37.484 -33.621 25.646 1.00 42.41 H new ATOM 0 HE1 PHE A 8 -41.715 -34.703 23.397 1.00 13.44 H new ATOM 0 HE2 PHE A 8 -39.504 -32.316 26.139 1.00 51.24 H new ATOM 0 HZ PHE A 8 -41.624 -32.860 25.020 1.00 11.33 H new ATOM 136 N ASN A 9 -35.973 -36.576 26.685 1.00 61.03 N ATOM 137 CA ASN A 9 -35.867 -36.259 28.106 1.00 63.54 C ATOM 138 C ASN A 9 -35.573 -34.765 28.252 1.00 32.21 C ATOM 139 O ASN A 9 -34.435 -34.324 28.070 1.00 32.12 O ATOM 140 CB ASN A 9 -34.767 -37.104 28.771 1.00 51.23 C ATOM 141 CG ASN A 9 -34.733 -36.951 30.284 1.00 61.14 C ATOM 142 OD1 ASN A 9 -35.765 -36.771 30.929 1.00 1.03 O ATOM 143 ND2 ASN A 9 -33.543 -37.015 30.861 1.00 3.14 N ATOM 0 H ASN A 9 -35.096 -36.485 26.172 1.00 61.03 H new ATOM 0 HA ASN A 9 -36.806 -36.495 28.607 1.00 63.54 H new ATOM 0 HB2 ASN A 9 -34.922 -38.154 28.521 1.00 51.23 H new ATOM 0 HB3 ASN A 9 -33.799 -36.818 28.361 1.00 51.23 H new ATOM 0 HD21 ASN A 9 -33.461 -36.914 31.873 1.00 3.14 H new ATOM 0 HD22 ASN A 9 -32.709 -37.166 30.294 1.00 3.14 H new ATOM 150 N THR A 10 -36.611 -33.999 28.567 1.00 35.03 N ATOM 151 CA THR A 10 -36.528 -32.542 28.583 1.00 25.44 C ATOM 152 C THR A 10 -35.931 -32.022 29.900 1.00 33.14 C ATOM 153 O THR A 10 -36.172 -32.577 30.975 1.00 43.33 O ATOM 154 CB THR A 10 -37.921 -31.895 28.299 1.00 4.52 C ATOM 155 OG1 THR A 10 -37.830 -30.467 28.305 1.00 23.42 O ATOM 156 CG2 THR A 10 -38.986 -32.336 29.302 1.00 24.54 C ATOM 0 H THR A 10 -37.529 -34.367 28.817 1.00 35.03 H new ATOM 0 HA THR A 10 -35.852 -32.245 27.781 1.00 25.44 H new ATOM 0 HB THR A 10 -38.224 -32.241 27.311 1.00 4.52 H new ATOM 0 HG1 THR A 10 -38.168 -30.121 29.157 1.00 23.42 H new ATOM 0 HG21 THR A 10 -39.935 -31.857 29.059 1.00 24.54 H new ATOM 0 HG22 THR A 10 -39.103 -33.419 29.256 1.00 24.54 H new ATOM 0 HG23 THR A 10 -38.681 -32.047 30.308 1.00 24.54 H new ATOM 164 N TRP A 11 -35.127 -30.970 29.793 1.00 15.42 N ATOM 165 CA TRP A 11 -34.491 -30.357 30.949 1.00 12.25 C ATOM 166 C TRP A 11 -35.197 -29.076 31.351 1.00 71.45 C ATOM 167 O TRP A 11 -35.087 -28.045 30.688 1.00 73.14 O ATOM 168 CB TRP A 11 -33.012 -30.094 30.671 1.00 1.34 C ATOM 169 CG TRP A 11 -32.188 -31.335 30.761 1.00 75.50 C ATOM 170 CD1 TRP A 11 -31.627 -32.037 29.733 1.00 21.43 C ATOM 171 CD2 TRP A 11 -31.859 -32.041 31.957 1.00 51.30 C ATOM 172 NE1 TRP A 11 -30.953 -33.126 30.225 1.00 12.53 N ATOM 173 CE2 TRP A 11 -31.083 -33.153 31.590 1.00 43.42 C ATOM 174 CE3 TRP A 11 -32.143 -31.832 33.308 1.00 13.52 C ATOM 175 CZ2 TRP A 11 -30.589 -34.055 32.529 1.00 4.13 C ATOM 176 CZ3 TRP A 11 -31.656 -32.723 34.236 1.00 31.11 C ATOM 177 CH2 TRP A 11 -30.886 -33.823 33.845 1.00 34.50 C ATOM 0 H TRP A 11 -34.900 -30.521 28.906 1.00 15.42 H new ATOM 0 HA TRP A 11 -34.568 -31.055 31.783 1.00 12.25 H new ATOM 0 HB2 TRP A 11 -32.903 -29.660 29.677 1.00 1.34 H new ATOM 0 HB3 TRP A 11 -32.636 -29.359 31.383 1.00 1.34 H new ATOM 0 HD1 TRP A 11 -31.703 -31.774 28.688 1.00 21.43 H new ATOM 0 HE1 TRP A 11 -30.438 -33.806 29.666 1.00 12.53 H new ATOM 0 HE3 TRP A 11 -32.735 -30.984 33.619 1.00 13.52 H new ATOM 0 HZ2 TRP A 11 -29.994 -34.905 32.230 1.00 4.13 H new ATOM 0 HZ3 TRP A 11 -31.872 -32.571 35.283 1.00 31.11 H new ATOM 0 HH2 TRP A 11 -30.518 -34.504 34.598 1.00 34.50 H new ATOM 188 N ASN A 12 -35.949 -29.171 32.437 1.00 72.32 N ATOM 189 CA ASN A 12 -36.654 -28.029 32.998 1.00 72.14 C ATOM 190 C ASN A 12 -36.291 -27.858 34.464 1.00 11.54 C ATOM 191 O ASN A 12 -36.615 -28.705 35.303 1.00 14.23 O ATOM 192 CB ASN A 12 -38.172 -28.188 32.842 1.00 61.41 C ATOM 193 CG ASN A 12 -38.650 -27.980 31.418 1.00 60.45 C ATOM 194 OD1 ASN A 12 -38.711 -28.917 30.634 1.00 42.30 O ATOM 195 ND2 ASN A 12 -38.997 -26.748 31.083 1.00 21.13 N ATOM 0 H ASN A 12 -36.087 -30.040 32.953 1.00 72.32 H new ATOM 0 HA ASN A 12 -36.349 -27.138 32.450 1.00 72.14 H new ATOM 0 HB2 ASN A 12 -38.463 -29.185 33.174 1.00 61.41 H new ATOM 0 HB3 ASN A 12 -38.675 -27.475 33.495 1.00 61.41 H new ATOM 0 HD21 ASN A 12 -39.331 -26.551 30.140 1.00 21.13 H new ATOM 0 HD22 ASN A 12 -38.931 -25.995 31.768 1.00 21.13 H new ATOM 202 N ASP A 13 -35.586 -26.779 34.761 1.00 10.00 N ATOM 203 CA ASP A 13 -35.159 -26.491 36.125 1.00 40.20 C ATOM 204 C ASP A 13 -36.016 -25.398 36.743 1.00 15.22 C ATOM 205 O ASP A 13 -36.644 -24.602 36.034 1.00 2.13 O ATOM 206 CB ASP A 13 -33.674 -26.094 36.166 1.00 31.42 C ATOM 207 CG ASP A 13 -33.359 -24.757 35.514 1.00 63.22 C ATOM 208 OD1 ASP A 13 -33.260 -24.697 34.273 1.00 12.33 O ATOM 209 OD2 ASP A 13 -33.185 -23.763 36.248 1.00 71.30 O ATOM 0 H ASP A 13 -35.295 -26.084 34.074 1.00 10.00 H new ATOM 0 HA ASP A 13 -35.286 -27.401 36.711 1.00 40.20 H new ATOM 0 HB2 ASP A 13 -33.348 -26.062 37.206 1.00 31.42 H new ATOM 0 HB3 ASP A 13 -33.090 -26.871 35.673 1.00 31.42 H new ATOM 214 N SER A 14 -36.059 -25.383 38.065 1.00 35.51 N ATOM 215 CA SER A 14 -36.835 -24.396 38.796 1.00 64.13 C ATOM 216 C SER A 14 -36.062 -23.895 40.016 1.00 44.14 C ATOM 217 O SER A 14 -35.396 -24.677 40.703 1.00 63.11 O ATOM 218 CB SER A 14 -38.185 -24.995 39.213 1.00 41.04 C ATOM 219 OG SER A 14 -38.962 -25.351 38.075 1.00 72.22 O ATOM 0 H SER A 14 -35.562 -26.048 38.657 1.00 35.51 H new ATOM 0 HA SER A 14 -37.019 -23.542 38.144 1.00 64.13 H new ATOM 0 HB2 SER A 14 -38.019 -25.876 39.834 1.00 41.04 H new ATOM 0 HB3 SER A 14 -38.733 -24.275 39.821 1.00 41.04 H new ATOM 0 HG SER A 14 -39.816 -25.732 38.368 1.00 72.22 H new ATOM 225 N ARG A 15 -36.133 -22.589 40.271 1.00 0.24 N ATOM 226 CA ARG A 15 -35.402 -21.981 41.386 1.00 11.25 C ATOM 227 C ARG A 15 -36.355 -21.643 42.534 1.00 54.35 C ATOM 228 O ARG A 15 -37.564 -21.485 42.322 1.00 53.23 O ATOM 229 CB ARG A 15 -34.608 -20.724 40.942 1.00 30.30 C ATOM 230 CG ARG A 15 -35.442 -19.481 40.608 1.00 3.03 C ATOM 231 CD ARG A 15 -36.083 -19.542 39.227 1.00 1.52 C ATOM 232 NE ARG A 15 -35.093 -19.462 38.150 1.00 20.22 N ATOM 233 CZ ARG A 15 -35.152 -20.152 37.013 1.00 43.43 C ATOM 234 NH1 ARG A 15 -36.104 -21.057 36.807 1.00 42.03 N ATOM 235 NH2 ARG A 15 -34.242 -19.934 36.083 1.00 40.44 N ATOM 0 H ARG A 15 -36.688 -21.931 39.723 1.00 0.24 H new ATOM 0 HA ARG A 15 -34.676 -22.714 41.739 1.00 11.25 H new ATOM 0 HB2 ARG A 15 -33.907 -20.464 41.735 1.00 30.30 H new ATOM 0 HB3 ARG A 15 -34.015 -20.985 40.065 1.00 30.30 H new ATOM 0 HG2 ARG A 15 -36.223 -19.363 41.359 1.00 3.03 H new ATOM 0 HG3 ARG A 15 -34.806 -18.598 40.668 1.00 3.03 H new ATOM 0 HD2 ARG A 15 -36.646 -20.470 39.131 1.00 1.52 H new ATOM 0 HD3 ARG A 15 -36.796 -18.724 39.123 1.00 1.52 H new ATOM 0 HE ARG A 15 -34.301 -18.832 38.281 1.00 20.22 H new ATOM 0 HH11 ARG A 15 -36.805 -21.232 37.527 1.00 42.03 H new ATOM 0 HH12 ARG A 15 -36.133 -21.576 35.929 1.00 42.03 H new ATOM 0 HH21 ARG A 15 -33.507 -19.245 36.241 1.00 40.44 H new ATOM 0 HH22 ARG A 15 -34.274 -20.455 35.206 1.00 40.44 H new ATOM 249 N GLY A 16 -35.809 -21.552 43.739 1.00 52.12 N ATOM 250 CA GLY A 16 -36.602 -21.233 44.907 1.00 3.43 C ATOM 251 C GLY A 16 -35.811 -20.391 45.876 1.00 75.32 C ATOM 252 O GLY A 16 -34.791 -20.839 46.398 1.00 52.53 O ATOM 0 H GLY A 16 -34.817 -21.696 43.928 1.00 52.12 H new ATOM 0 HA2 GLY A 16 -37.503 -20.699 44.606 1.00 3.43 H new ATOM 0 HA3 GLY A 16 -36.924 -22.152 45.396 1.00 3.43 H new ATOM 256 N ASN A 17 -36.270 -19.168 46.105 1.00 21.30 N ATOM 257 CA ASN A 17 -35.535 -18.196 46.911 1.00 45.12 C ATOM 258 C ASN A 17 -36.153 -18.061 48.294 1.00 61.14 C ATOM 259 O ASN A 17 -37.375 -18.086 48.441 1.00 32.44 O ATOM 260 CB ASN A 17 -35.533 -16.821 46.222 1.00 70.40 C ATOM 261 CG ASN A 17 -34.845 -16.838 44.871 1.00 21.35 C ATOM 262 OD1 ASN A 17 -35.480 -17.065 43.843 1.00 45.24 O ATOM 263 ND2 ASN A 17 -33.547 -16.585 44.864 1.00 41.31 N ATOM 0 H ASN A 17 -37.157 -18.821 45.741 1.00 21.30 H new ATOM 0 HA ASN A 17 -34.511 -18.554 47.013 1.00 45.12 H new ATOM 0 HB2 ASN A 17 -36.561 -16.482 46.096 1.00 70.40 H new ATOM 0 HB3 ASN A 17 -35.036 -16.097 46.868 1.00 70.40 H new ATOM 0 HD21 ASN A 17 -33.034 -16.573 43.982 1.00 41.31 H new ATOM 0 HD22 ASN A 17 -33.058 -16.402 45.740 1.00 41.31 H new ATOM 270 N TYR A 18 -35.300 -17.940 49.307 1.00 40.01 N ATOM 271 CA TYR A 18 -35.738 -17.670 50.674 1.00 52.32 C ATOM 272 C TYR A 18 -35.003 -16.460 51.233 1.00 74.01 C ATOM 273 O TYR A 18 -33.811 -16.525 51.546 1.00 31.01 O ATOM 274 CB TYR A 18 -35.532 -18.892 51.584 1.00 73.13 C ATOM 275 CG TYR A 18 -36.585 -19.961 51.404 1.00 52.54 C ATOM 276 CD1 TYR A 18 -37.818 -19.847 52.030 1.00 22.23 C ATOM 277 CD2 TYR A 18 -36.356 -21.071 50.604 1.00 54.31 C ATOM 278 CE1 TYR A 18 -38.793 -20.812 51.869 1.00 22.25 C ATOM 279 CE2 TYR A 18 -37.325 -22.038 50.437 1.00 52.22 C ATOM 280 CZ TYR A 18 -38.539 -21.905 51.071 1.00 34.35 C ATOM 281 OH TYR A 18 -39.504 -22.870 50.903 1.00 25.35 O ATOM 0 H TYR A 18 -34.289 -18.026 49.205 1.00 40.01 H new ATOM 0 HA TYR A 18 -36.806 -17.455 50.647 1.00 52.32 H new ATOM 0 HB2 TYR A 18 -34.551 -19.322 51.385 1.00 73.13 H new ATOM 0 HB3 TYR A 18 -35.531 -18.565 52.624 1.00 73.13 H new ATOM 0 HD1 TYR A 18 -38.019 -18.989 52.654 1.00 22.23 H new ATOM 0 HD2 TYR A 18 -35.405 -21.179 50.104 1.00 54.31 H new ATOM 0 HE1 TYR A 18 -39.747 -20.710 52.365 1.00 22.25 H new ATOM 0 HE2 TYR A 18 -37.132 -22.897 49.811 1.00 52.22 H new ATOM 0 HH TYR A 18 -39.165 -23.572 50.309 1.00 25.35 H new ATOM 291 N TRP A 19 -35.724 -15.358 51.347 1.00 14.44 N ATOM 292 CA TRP A 19 -35.150 -14.093 51.778 1.00 65.51 C ATOM 293 C TRP A 19 -35.707 -13.687 53.134 1.00 21.43 C ATOM 294 O TRP A 19 -36.778 -14.153 53.540 1.00 32.41 O ATOM 295 CB TRP A 19 -35.406 -13.002 50.720 1.00 11.54 C ATOM 296 CG TRP A 19 -36.859 -12.638 50.508 1.00 25.20 C ATOM 297 CD1 TRP A 19 -37.833 -13.414 49.942 1.00 45.04 C ATOM 298 CD2 TRP A 19 -37.486 -11.390 50.840 1.00 24.02 C ATOM 299 NE1 TRP A 19 -39.023 -12.734 49.926 1.00 12.35 N ATOM 300 CE2 TRP A 19 -38.837 -11.489 50.464 1.00 71.22 C ATOM 301 CE3 TRP A 19 -37.035 -10.200 51.425 1.00 50.32 C ATOM 302 CZ2 TRP A 19 -39.743 -10.447 50.652 1.00 41.23 C ATOM 303 CZ3 TRP A 19 -37.934 -9.167 51.608 1.00 20.41 C ATOM 304 CH2 TRP A 19 -39.273 -9.296 51.224 1.00 24.43 C ATOM 0 H TRP A 19 -36.723 -15.314 51.144 1.00 14.44 H new ATOM 0 HA TRP A 19 -34.072 -14.215 51.884 1.00 65.51 H new ATOM 0 HB2 TRP A 19 -34.861 -12.103 51.009 1.00 11.54 H new ATOM 0 HB3 TRP A 19 -34.989 -13.335 49.770 1.00 11.54 H new ATOM 0 HD1 TRP A 19 -37.686 -14.415 49.564 1.00 45.04 H new ATOM 0 HE1 TRP A 19 -39.907 -13.098 49.570 1.00 12.35 H new ATOM 0 HE3 TRP A 19 -36.004 -10.092 51.727 1.00 50.32 H new ATOM 0 HZ2 TRP A 19 -40.777 -10.544 50.357 1.00 41.23 H new ATOM 0 HZ3 TRP A 19 -37.597 -8.244 52.055 1.00 20.41 H new ATOM 0 HH2 TRP A 19 -39.950 -8.470 51.382 1.00 24.43 H new ATOM 315 N SER A 20 -34.985 -12.819 53.830 1.00 21.11 N ATOM 316 CA SER A 20 -35.393 -12.395 55.156 1.00 53.35 C ATOM 317 C SER A 20 -35.048 -10.926 55.376 1.00 32.23 C ATOM 318 O SER A 20 -33.923 -10.494 55.105 1.00 54.24 O ATOM 319 CB SER A 20 -34.717 -13.266 56.224 1.00 62.14 C ATOM 320 OG SER A 20 -35.292 -13.046 57.499 1.00 43.32 O ATOM 0 H SER A 20 -34.118 -12.398 53.497 1.00 21.11 H new ATOM 0 HA SER A 20 -36.473 -12.513 55.240 1.00 53.35 H new ATOM 0 HB2 SER A 20 -34.813 -14.318 55.955 1.00 62.14 H new ATOM 0 HB3 SER A 20 -33.651 -13.042 56.259 1.00 62.14 H new ATOM 0 HG SER A 20 -34.845 -13.613 58.162 1.00 43.32 H new ATOM 326 N ASP A 21 -36.020 -10.165 55.860 1.00 45.44 N ATOM 327 CA ASP A 21 -35.825 -8.754 56.171 1.00 14.21 C ATOM 328 C ASP A 21 -36.668 -8.411 57.403 1.00 74.45 C ATOM 329 O ASP A 21 -37.400 -9.276 57.900 1.00 2.34 O ATOM 330 CB ASP A 21 -36.230 -7.892 54.963 1.00 42.52 C ATOM 331 CG ASP A 21 -35.566 -6.532 54.952 1.00 53.14 C ATOM 332 OD1 ASP A 21 -34.403 -6.442 54.532 1.00 54.20 O ATOM 333 OD2 ASP A 21 -36.205 -5.551 55.370 1.00 25.23 O ATOM 0 H ASP A 21 -36.963 -10.506 56.048 1.00 45.44 H new ATOM 0 HA ASP A 21 -34.776 -8.551 56.386 1.00 14.21 H new ATOM 0 HB2 ASP A 21 -35.975 -8.421 54.045 1.00 42.52 H new ATOM 0 HB3 ASP A 21 -37.312 -7.761 54.965 1.00 42.52 H new ATOM 338 N TYR A 22 -36.593 -7.174 57.891 1.00 12.45 N ATOM 339 CA TYR A 22 -37.378 -6.756 59.046 1.00 72.42 C ATOM 340 C TYR A 22 -38.781 -6.345 58.603 1.00 3.44 C ATOM 341 O TYR A 22 -38.941 -5.521 57.700 1.00 43.15 O ATOM 342 CB TYR A 22 -36.671 -5.607 59.760 1.00 60.11 C ATOM 343 CG TYR A 22 -37.134 -5.376 61.184 1.00 71.43 C ATOM 344 CD1 TYR A 22 -36.753 -6.243 62.198 1.00 5.13 C ATOM 345 CD2 TYR A 22 -37.955 -4.306 61.515 1.00 65.30 C ATOM 346 CE1 TYR A 22 -37.173 -6.052 63.499 1.00 13.55 C ATOM 347 CE2 TYR A 22 -38.382 -4.112 62.815 1.00 21.02 C ATOM 348 CZ TYR A 22 -37.988 -4.987 63.800 1.00 25.54 C ATOM 349 OH TYR A 22 -38.425 -4.804 65.091 1.00 21.32 O ATOM 0 H TYR A 22 -35.995 -6.445 57.502 1.00 12.45 H new ATOM 0 HA TYR A 22 -37.472 -7.589 59.743 1.00 72.42 H new ATOM 0 HB2 TYR A 22 -35.599 -5.804 59.767 1.00 60.11 H new ATOM 0 HB3 TYR A 22 -36.823 -4.692 59.188 1.00 60.11 H new ATOM 0 HD1 TYR A 22 -36.116 -7.083 61.965 1.00 5.13 H new ATOM 0 HD2 TYR A 22 -38.264 -3.615 60.745 1.00 65.30 H new ATOM 0 HE1 TYR A 22 -36.863 -6.735 64.276 1.00 13.55 H new ATOM 0 HE2 TYR A 22 -39.023 -3.277 63.056 1.00 21.02 H new ATOM 0 HH TYR A 22 -38.991 -4.005 65.135 1.00 21.32 H new ATOM 848 N PRO A 59 -20.483 -1.350 15.497 1.00 32.33 N ATOM 849 CA PRO A 59 -19.500 -2.316 14.998 1.00 30.13 C ATOM 850 C PRO A 59 -18.135 -1.678 14.737 1.00 40.23 C ATOM 851 O PRO A 59 -18.009 -0.448 14.686 1.00 13.51 O ATOM 852 CB PRO A 59 -20.122 -2.821 13.696 1.00 2.33 C ATOM 853 CG PRO A 59 -21.025 -1.727 13.239 1.00 55.40 C ATOM 854 CD PRO A 59 -21.480 -0.992 14.469 1.00 33.44 C ATOM 0 HA PRO A 59 -19.304 -3.107 15.721 1.00 30.13 H new ATOM 0 HB2 PRO A 59 -19.355 -3.035 12.951 1.00 2.33 H new ATOM 0 HB3 PRO A 59 -20.676 -3.746 13.858 1.00 2.33 H new ATOM 0 HG2 PRO A 59 -20.503 -1.054 12.559 1.00 55.40 H new ATOM 0 HG3 PRO A 59 -21.878 -2.133 12.694 1.00 55.40 H new ATOM 0 HD2 PRO A 59 -21.509 0.085 14.301 1.00 33.44 H new ATOM 0 HD3 PRO A 59 -22.484 -1.296 14.766 1.00 33.44 H new ATOM 862 N VAL A 60 -17.117 -2.511 14.586 1.00 0.15 N ATOM 863 CA VAL A 60 -15.776 -2.017 14.338 1.00 22.00 C ATOM 864 C VAL A 60 -15.554 -1.840 12.824 1.00 24.01 C ATOM 865 O VAL A 60 -16.081 -2.602 12.008 1.00 12.53 O ATOM 866 CB VAL A 60 -14.703 -2.943 14.987 1.00 44.33 C ATOM 867 CG1 VAL A 60 -14.517 -4.258 14.237 1.00 64.42 C ATOM 868 CG2 VAL A 60 -13.380 -2.216 15.159 1.00 21.42 C ATOM 0 H VAL A 60 -17.195 -3.527 14.631 1.00 0.15 H new ATOM 0 HA VAL A 60 -15.666 -1.040 14.809 1.00 22.00 H new ATOM 0 HB VAL A 60 -15.081 -3.205 15.975 1.00 44.33 H new ATOM 0 HG11 VAL A 60 -13.757 -4.858 14.738 1.00 64.42 H new ATOM 0 HG12 VAL A 60 -15.460 -4.805 14.222 1.00 64.42 H new ATOM 0 HG13 VAL A 60 -14.201 -4.052 13.214 1.00 64.42 H new ATOM 0 HG21 VAL A 60 -12.652 -2.888 15.614 1.00 21.42 H new ATOM 0 HG22 VAL A 60 -13.014 -1.891 14.185 1.00 21.42 H new ATOM 0 HG23 VAL A 60 -13.523 -1.347 15.802 1.00 21.42 H new ATOM 878 N LEU A 61 -14.849 -0.778 12.466 1.00 53.43 N ATOM 879 CA LEU A 61 -14.511 -0.501 11.079 1.00 2.15 C ATOM 880 C LEU A 61 -13.047 -0.894 10.831 1.00 4.34 C ATOM 881 O LEU A 61 -12.290 -1.034 11.802 1.00 12.13 O ATOM 882 CB LEU A 61 -14.843 0.984 10.655 1.00 52.35 C ATOM 883 CG LEU A 61 -14.531 2.201 11.590 1.00 42.21 C ATOM 884 CD1 LEU A 61 -15.468 2.275 12.789 1.00 62.23 C ATOM 885 CD2 LEU A 61 -13.085 2.235 12.047 1.00 40.22 C ATOM 0 H LEU A 61 -14.496 -0.086 13.127 1.00 53.43 H new ATOM 0 HA LEU A 61 -15.142 -1.111 10.432 1.00 2.15 H new ATOM 0 HB2 LEU A 61 -14.322 1.167 9.715 1.00 52.35 H new ATOM 0 HB3 LEU A 61 -15.911 1.019 10.439 1.00 52.35 H new ATOM 0 HG LEU A 61 -14.705 3.084 10.975 1.00 42.21 H new ATOM 0 HD11 LEU A 61 -15.206 3.137 13.403 1.00 62.23 H new ATOM 0 HD12 LEU A 61 -16.496 2.376 12.442 1.00 62.23 H new ATOM 0 HD13 LEU A 61 -15.373 1.365 13.382 1.00 62.23 H new ATOM 0 HD21 LEU A 61 -12.927 3.099 12.692 1.00 40.22 H new ATOM 0 HD22 LEU A 61 -12.857 1.324 12.600 1.00 40.22 H new ATOM 0 HD23 LEU A 61 -12.430 2.306 11.178 1.00 40.22 H new ATOM 897 N PRO A 62 -12.618 -1.120 9.561 1.00 75.42 N ATOM 898 CA PRO A 62 -11.248 -1.521 9.274 1.00 71.12 C ATOM 899 C PRO A 62 -10.240 -0.400 9.437 1.00 74.24 C ATOM 900 O PRO A 62 -10.564 0.727 9.833 1.00 22.54 O ATOM 901 CB PRO A 62 -11.254 -1.950 7.815 1.00 25.44 C ATOM 902 CG PRO A 62 -12.433 -1.287 7.206 1.00 51.54 C ATOM 903 CD PRO A 62 -13.415 -1.021 8.323 1.00 22.33 C ATOM 0 HA PRO A 62 -10.949 -2.303 9.973 1.00 71.12 H new ATOM 0 HB2 PRO A 62 -10.334 -1.649 7.315 1.00 25.44 H new ATOM 0 HB3 PRO A 62 -11.325 -3.034 7.726 1.00 25.44 H new ATOM 0 HG2 PRO A 62 -12.143 -0.357 6.718 1.00 51.54 H new ATOM 0 HG3 PRO A 62 -12.881 -1.922 6.442 1.00 51.54 H new ATOM 0 HD2 PRO A 62 -13.869 -0.035 8.223 1.00 22.33 H new ATOM 0 HD3 PRO A 62 -14.227 -1.748 8.317 1.00 22.33 H new ATOM 911 N THR A 63 -9.006 -0.740 9.142 1.00 22.15 N ATOM 912 CA THR A 63 -7.920 0.191 9.158 1.00 23.34 C ATOM 913 C THR A 63 -6.963 -0.182 8.039 1.00 72.43 C ATOM 914 O THR A 63 -6.290 -1.205 8.126 1.00 65.24 O ATOM 915 CB THR A 63 -7.179 0.179 10.515 1.00 13.32 C ATOM 916 OG1 THR A 63 -8.108 0.323 11.597 1.00 23.41 O ATOM 917 CG2 THR A 63 -6.187 1.316 10.553 1.00 71.43 C ATOM 0 H THR A 63 -8.733 -1.688 8.881 1.00 22.15 H new ATOM 0 HA THR A 63 -8.310 1.198 9.013 1.00 23.34 H new ATOM 0 HB THR A 63 -6.659 -0.773 10.623 1.00 13.32 H new ATOM 0 HG1 THR A 63 -7.623 0.312 12.448 1.00 23.41 H new ATOM 0 HG21 THR A 63 -5.663 1.310 11.509 1.00 71.43 H new ATOM 0 HG22 THR A 63 -5.467 1.198 9.744 1.00 71.43 H new ATOM 0 HG23 THR A 63 -6.714 2.263 10.434 1.00 71.43 H new ATOM 925 N ALA A 64 -6.934 0.608 6.972 1.00 13.21 N ATOM 926 CA ALA A 64 -5.970 0.383 5.906 1.00 1.21 C ATOM 927 C ALA A 64 -4.643 0.998 6.297 1.00 44.25 C ATOM 928 O ALA A 64 -4.524 2.219 6.416 1.00 43.52 O ATOM 929 CB ALA A 64 -6.455 0.952 4.588 1.00 22.34 C ATOM 0 H ALA A 64 -7.559 1.400 6.824 1.00 13.21 H new ATOM 0 HA ALA A 64 -5.848 -0.691 5.767 1.00 1.21 H new ATOM 0 HB1 ALA A 64 -5.710 0.765 3.815 1.00 22.34 H new ATOM 0 HB2 ALA A 64 -7.394 0.474 4.309 1.00 22.34 H new ATOM 0 HB3 ALA A 64 -6.610 2.026 4.691 1.00 22.34 H new ATOM 935 N ARG A 65 -3.665 0.147 6.527 1.00 23.53 N ATOM 936 CA ARG A 65 -2.364 0.569 6.999 1.00 3.14 C ATOM 937 C ARG A 65 -1.308 -0.267 6.308 1.00 74.20 C ATOM 938 O ARG A 65 -1.494 -1.471 6.140 1.00 25.43 O ATOM 939 CB ARG A 65 -2.271 0.381 8.523 1.00 12.34 C ATOM 940 CG ARG A 65 -1.887 1.630 9.313 1.00 14.21 C ATOM 941 CD ARG A 65 -2.969 2.707 9.246 1.00 33.35 C ATOM 942 NE ARG A 65 -2.807 3.746 10.264 1.00 30.33 N ATOM 943 CZ ARG A 65 -3.623 4.797 10.408 1.00 31.43 C ATOM 944 NH1 ARG A 65 -4.625 5.009 9.553 1.00 51.43 N ATOM 945 NH2 ARG A 65 -3.429 5.633 11.416 1.00 22.33 N ATOM 0 H ARG A 65 -3.751 -0.860 6.391 1.00 23.53 H new ATOM 0 HA ARG A 65 -2.210 1.624 6.772 1.00 3.14 H new ATOM 0 HB2 ARG A 65 -3.234 0.022 8.888 1.00 12.34 H new ATOM 0 HB3 ARG A 65 -1.540 -0.400 8.732 1.00 12.34 H new ATOM 0 HG2 ARG A 65 -1.709 1.360 10.354 1.00 14.21 H new ATOM 0 HG3 ARG A 65 -0.952 2.032 8.923 1.00 14.21 H new ATOM 0 HD2 ARG A 65 -2.954 3.168 8.259 1.00 33.35 H new ATOM 0 HD3 ARG A 65 -3.947 2.240 9.364 1.00 33.35 H new ATOM 0 HE ARG A 65 -2.019 3.664 10.907 1.00 30.33 H new ATOM 0 HH11 ARG A 65 -4.778 4.366 8.776 1.00 51.43 H new ATOM 0 HH12 ARG A 65 -5.239 5.815 9.676 1.00 51.43 H new ATOM 0 HH21 ARG A 65 -2.665 5.472 12.072 1.00 22.33 H new ATOM 0 HH22 ARG A 65 -4.044 6.438 11.537 1.00 22.33 H new ATOM 959 N PHE A 66 -0.247 0.382 5.853 1.00 53.10 N ATOM 960 CA PHE A 66 0.915 -0.306 5.302 1.00 71.50 C ATOM 961 C PHE A 66 2.121 0.622 5.352 1.00 2.52 C ATOM 962 O PHE A 66 1.964 1.850 5.378 1.00 71.15 O ATOM 963 CB PHE A 66 0.686 -0.822 3.854 1.00 43.23 C ATOM 964 CG PHE A 66 0.600 0.224 2.778 1.00 44.54 C ATOM 965 CD1 PHE A 66 -0.493 1.069 2.687 1.00 45.41 C ATOM 966 CD2 PHE A 66 1.615 0.349 1.846 1.00 11.11 C ATOM 967 CE1 PHE A 66 -0.565 2.016 1.693 1.00 1.04 C ATOM 968 CE2 PHE A 66 1.541 1.294 0.851 1.00 44.42 C ATOM 969 CZ PHE A 66 0.450 2.128 0.776 1.00 31.42 C ATOM 0 H PHE A 66 -0.165 1.399 5.854 1.00 53.10 H new ATOM 0 HA PHE A 66 1.094 -1.189 5.916 1.00 71.50 H new ATOM 0 HB2 PHE A 66 1.497 -1.505 3.602 1.00 43.23 H new ATOM 0 HB3 PHE A 66 -0.236 -1.403 3.840 1.00 43.23 H new ATOM 0 HD1 PHE A 66 -1.297 0.983 3.404 1.00 45.41 H new ATOM 0 HD2 PHE A 66 2.474 -0.303 1.901 1.00 11.11 H new ATOM 0 HE1 PHE A 66 -1.421 2.672 1.634 1.00 1.04 H new ATOM 0 HE2 PHE A 66 2.339 1.382 0.129 1.00 44.42 H new ATOM 0 HZ PHE A 66 0.392 2.872 -0.005 1.00 31.42 H new ATOM 979 N THR A 67 3.312 0.037 5.380 1.00 61.20 N ATOM 980 CA THR A 67 4.536 0.814 5.326 1.00 14.24 C ATOM 981 C THR A 67 5.654 0.000 4.671 1.00 23.44 C ATOM 982 O THR A 67 5.556 -1.226 4.529 1.00 5.12 O ATOM 983 CB THR A 67 4.962 1.322 6.745 1.00 24.32 C ATOM 984 OG1 THR A 67 5.953 2.354 6.641 1.00 34.44 O ATOM 985 CG2 THR A 67 5.504 0.207 7.638 1.00 62.01 C ATOM 0 H THR A 67 3.452 -0.972 5.440 1.00 61.20 H new ATOM 0 HA THR A 67 4.347 1.696 4.714 1.00 14.24 H new ATOM 0 HB THR A 67 4.056 1.714 7.207 1.00 24.32 H new ATOM 0 HG1 THR A 67 6.827 1.951 6.459 1.00 34.44 H new ATOM 0 HG21 THR A 67 5.782 0.620 8.607 1.00 62.01 H new ATOM 0 HG22 THR A 67 4.737 -0.555 7.775 1.00 62.01 H new ATOM 0 HG23 THR A 67 6.380 -0.241 7.169 1.00 62.01 H new ATOM 993 N SER A 68 6.682 0.705 4.242 1.00 42.14 N ATOM 994 CA SER A 68 7.915 0.099 3.794 1.00 64.42 C ATOM 995 C SER A 68 9.009 0.458 4.798 1.00 64.32 C ATOM 996 O SER A 68 8.750 1.208 5.753 1.00 24.40 O ATOM 997 CB SER A 68 8.262 0.616 2.399 1.00 53.23 C ATOM 998 OG SER A 68 7.183 0.418 1.510 1.00 44.21 O ATOM 0 H SER A 68 6.682 1.724 4.195 1.00 42.14 H new ATOM 0 HA SER A 68 7.817 -0.985 3.735 1.00 64.42 H new ATOM 0 HB2 SER A 68 8.508 1.677 2.450 1.00 53.23 H new ATOM 0 HB3 SER A 68 9.147 0.101 2.025 1.00 53.23 H new ATOM 0 HG SER A 68 7.424 0.757 0.623 1.00 44.21 H new ATOM 1004 N ASP A 69 10.215 -0.076 4.607 1.00 33.20 N ATOM 1005 CA ASP A 69 11.355 0.273 5.464 1.00 75.14 C ATOM 1006 C ASP A 69 11.872 1.689 5.155 1.00 14.24 C ATOM 1007 O ASP A 69 12.450 2.352 6.022 1.00 3.01 O ATOM 1008 CB ASP A 69 12.484 -0.770 5.339 1.00 71.42 C ATOM 1009 CG ASP A 69 13.347 -0.636 4.096 1.00 34.50 C ATOM 1010 OD1 ASP A 69 12.854 -0.901 2.980 1.00 32.21 O ATOM 1011 OD2 ASP A 69 14.535 -0.286 4.244 1.00 71.13 O ATOM 0 H ASP A 69 10.431 -0.749 3.871 1.00 33.20 H new ATOM 0 HA ASP A 69 11.007 0.266 6.497 1.00 75.14 H new ATOM 0 HB2 ASP A 69 13.125 -0.697 6.218 1.00 71.42 H new ATOM 0 HB3 ASP A 69 12.041 -1.766 5.350 1.00 71.42 H new ATOM 1016 N ILE A 70 11.642 2.135 3.921 1.00 54.34 N ATOM 1017 CA ILE A 70 12.005 3.475 3.497 1.00 15.32 C ATOM 1018 C ILE A 70 10.799 4.200 2.908 1.00 20.24 C ATOM 1019 O ILE A 70 9.898 3.579 2.341 1.00 22.52 O ATOM 1020 CB ILE A 70 13.206 3.490 2.491 1.00 61.43 C ATOM 1021 CG1 ILE A 70 13.102 2.395 1.399 1.00 73.25 C ATOM 1022 CG2 ILE A 70 14.529 3.356 3.232 1.00 43.14 C ATOM 1023 CD1 ILE A 70 12.393 2.825 0.125 1.00 12.44 C ATOM 0 H ILE A 70 11.199 1.575 3.193 1.00 54.34 H new ATOM 0 HA ILE A 70 12.337 4.006 4.389 1.00 15.32 H new ATOM 0 HB ILE A 70 13.164 4.453 1.983 1.00 61.43 H new ATOM 0 HG12 ILE A 70 14.108 2.062 1.143 1.00 73.25 H new ATOM 0 HG13 ILE A 70 12.578 1.535 1.816 1.00 73.25 H new ATOM 0 HG21 ILE A 70 15.350 3.369 2.515 1.00 43.14 H new ATOM 0 HG22 ILE A 70 14.642 4.187 3.928 1.00 43.14 H new ATOM 0 HG23 ILE A 70 14.543 2.416 3.784 1.00 43.14 H new ATOM 0 HD11 ILE A 70 12.370 1.992 -0.578 1.00 12.44 H new ATOM 0 HD12 ILE A 70 11.373 3.129 0.361 1.00 12.44 H new ATOM 0 HD13 ILE A 70 12.927 3.663 -0.323 1.00 12.44 H new ATOM 1035 N THR A 71 10.784 5.507 3.087 1.00 3.41 N ATOM 1036 CA THR A 71 9.809 6.380 2.443 1.00 63.40 C ATOM 1037 C THR A 71 10.495 7.176 1.348 1.00 52.02 C ATOM 1038 O THR A 71 9.859 7.670 0.417 1.00 1.13 O ATOM 1039 CB THR A 71 9.161 7.351 3.453 1.00 74.34 C ATOM 1040 OG1 THR A 71 10.171 7.957 4.275 1.00 23.43 O ATOM 1041 CG2 THR A 71 8.150 6.628 4.324 1.00 21.24 C ATOM 0 H THR A 71 11.448 5.999 3.684 1.00 3.41 H new ATOM 0 HA THR A 71 9.021 5.756 2.022 1.00 63.40 H new ATOM 0 HB THR A 71 8.641 8.129 2.893 1.00 74.34 H new ATOM 0 HG1 THR A 71 9.750 8.572 4.911 1.00 23.43 H new ATOM 0 HG21 THR A 71 7.706 7.332 5.028 1.00 21.24 H new ATOM 0 HG22 THR A 71 7.368 6.201 3.696 1.00 21.24 H new ATOM 0 HG23 THR A 71 8.649 5.830 4.875 1.00 21.24 H new ATOM 1049 N GLU A 72 11.819 7.265 1.480 1.00 4.10 N ATOM 1050 CA GLU A 72 12.673 7.991 0.569 1.00 51.00 C ATOM 1051 C GLU A 72 14.058 7.357 0.585 1.00 0.04 C ATOM 1052 O GLU A 72 14.553 6.940 1.638 1.00 75.43 O ATOM 1053 CB GLU A 72 12.761 9.464 0.977 1.00 14.12 C ATOM 1054 CG GLU A 72 13.570 10.333 0.015 1.00 1.05 C ATOM 1055 CD GLU A 72 13.746 11.736 0.522 1.00 1.22 C ATOM 1056 OE1 GLU A 72 14.667 11.961 1.331 1.00 52.13 O ATOM 1057 OE2 GLU A 72 12.971 12.617 0.117 1.00 14.54 O ATOM 0 H GLU A 72 12.329 6.821 2.244 1.00 4.10 H new ATOM 0 HA GLU A 72 12.257 7.943 -0.437 1.00 51.00 H new ATOM 0 HB2 GLU A 72 11.752 9.869 1.054 1.00 14.12 H new ATOM 0 HB3 GLU A 72 13.207 9.529 1.970 1.00 14.12 H new ATOM 0 HG2 GLU A 72 14.549 9.881 -0.143 1.00 1.05 H new ATOM 0 HG3 GLU A 72 13.071 10.359 -0.954 1.00 1.05 H new ATOM 1064 N GLY A 73 14.662 7.282 -0.579 1.00 74.12 N ATOM 1065 CA GLY A 73 15.981 6.727 -0.721 1.00 72.33 C ATOM 1066 C GLY A 73 16.191 6.293 -2.141 1.00 45.20 C ATOM 1067 O GLY A 73 15.348 6.578 -2.985 1.00 42.03 O ATOM 0 H GLY A 73 14.248 7.606 -1.453 1.00 74.12 H new ATOM 0 HA2 GLY A 73 16.731 7.467 -0.441 1.00 72.33 H new ATOM 0 HA3 GLY A 73 16.104 5.878 -0.048 1.00 72.33 H new ATOM 1071 N PHE A 74 17.280 5.598 -2.424 1.00 33.02 N ATOM 1072 CA PHE A 74 17.521 5.135 -3.780 1.00 64.54 C ATOM 1073 C PHE A 74 16.789 3.805 -3.962 1.00 11.22 C ATOM 1074 O PHE A 74 16.678 3.031 -3.008 1.00 41.41 O ATOM 1075 CB PHE A 74 19.039 5.039 -4.096 1.00 34.35 C ATOM 1076 CG PHE A 74 19.782 3.864 -3.499 1.00 55.43 C ATOM 1077 CD1 PHE A 74 20.131 3.835 -2.160 1.00 74.01 C ATOM 1078 CD2 PHE A 74 20.140 2.788 -4.301 1.00 63.41 C ATOM 1079 CE1 PHE A 74 20.815 2.759 -1.631 1.00 61.43 C ATOM 1080 CE2 PHE A 74 20.824 1.712 -3.775 1.00 54.42 C ATOM 1081 CZ PHE A 74 21.161 1.697 -2.440 1.00 62.02 C ATOM 0 H PHE A 74 18.000 5.345 -1.747 1.00 33.02 H new ATOM 0 HA PHE A 74 17.130 5.856 -4.498 1.00 64.54 H new ATOM 0 HB2 PHE A 74 19.160 5.004 -5.179 1.00 34.35 H new ATOM 0 HB3 PHE A 74 19.517 5.956 -3.751 1.00 34.35 H new ATOM 0 HD1 PHE A 74 19.865 4.664 -1.521 1.00 74.01 H new ATOM 0 HD2 PHE A 74 19.880 2.794 -5.349 1.00 63.41 H new ATOM 0 HE1 PHE A 74 21.079 2.749 -0.584 1.00 61.43 H new ATOM 0 HE2 PHE A 74 21.095 0.882 -4.410 1.00 54.42 H new ATOM 0 HZ PHE A 74 21.696 0.854 -2.027 1.00 62.02 H new ATOM 1091 N ALA A 75 16.232 3.590 -5.151 1.00 34.14 N ATOM 1092 CA ALA A 75 15.469 2.380 -5.459 1.00 70.10 C ATOM 1093 C ALA A 75 16.395 1.260 -5.948 1.00 31.31 C ATOM 1094 O ALA A 75 16.890 1.311 -7.079 1.00 71.32 O ATOM 1095 CB ALA A 75 14.403 2.713 -6.498 1.00 44.55 C ATOM 0 H ALA A 75 16.296 4.248 -5.928 1.00 34.14 H new ATOM 0 HA ALA A 75 14.980 2.019 -4.554 1.00 70.10 H new ATOM 0 HB1 ALA A 75 13.830 1.816 -6.732 1.00 44.55 H new ATOM 0 HB2 ALA A 75 13.734 3.477 -6.101 1.00 44.55 H new ATOM 0 HB3 ALA A 75 14.882 3.085 -7.404 1.00 44.55 H new ATOM 1101 N PRO A 76 16.669 0.242 -5.091 1.00 1.30 N ATOM 1102 CA PRO A 76 17.638 -0.809 -5.395 1.00 31.10 C ATOM 1103 C PRO A 76 17.047 -2.154 -5.880 1.00 54.33 C ATOM 1104 O PRO A 76 17.769 -2.956 -6.477 1.00 51.34 O ATOM 1105 CB PRO A 76 18.300 -0.999 -4.034 1.00 43.23 C ATOM 1106 CG PRO A 76 17.261 -0.634 -3.007 1.00 20.21 C ATOM 1107 CD PRO A 76 16.129 0.058 -3.729 1.00 30.45 C ATOM 0 HA PRO A 76 18.282 -0.519 -6.225 1.00 31.10 H new ATOM 0 HB2 PRO A 76 18.632 -2.029 -3.903 1.00 43.23 H new ATOM 0 HB3 PRO A 76 19.182 -0.365 -3.938 1.00 43.23 H new ATOM 0 HG2 PRO A 76 16.900 -1.525 -2.494 1.00 20.21 H new ATOM 0 HG3 PRO A 76 17.687 0.021 -2.247 1.00 20.21 H new ATOM 0 HD2 PRO A 76 15.222 -0.547 -3.732 1.00 30.45 H new ATOM 0 HD3 PRO A 76 15.875 1.010 -3.263 1.00 30.45 H new ATOM 1115 N LEU A 77 15.737 -2.359 -5.689 1.00 53.31 N ATOM 1116 CA LEU A 77 15.111 -3.694 -5.726 1.00 53.11 C ATOM 1117 C LEU A 77 13.627 -3.596 -5.380 1.00 74.34 C ATOM 1118 O LEU A 77 13.122 -2.509 -5.124 1.00 20.13 O ATOM 1119 CB LEU A 77 15.840 -4.697 -4.773 1.00 63.12 C ATOM 1120 CG LEU A 77 16.011 -4.273 -3.304 1.00 15.02 C ATOM 1121 CD1 LEU A 77 14.856 -4.741 -2.441 1.00 51.24 C ATOM 1122 CD2 LEU A 77 17.319 -4.802 -2.752 1.00 74.10 C ATOM 0 H LEU A 77 15.077 -1.604 -5.504 1.00 53.31 H new ATOM 0 HA LEU A 77 15.207 -4.080 -6.741 1.00 53.11 H new ATOM 0 HB2 LEU A 77 15.292 -5.639 -4.791 1.00 63.12 H new ATOM 0 HB3 LEU A 77 16.830 -4.896 -5.185 1.00 63.12 H new ATOM 0 HG LEU A 77 16.022 -3.183 -3.279 1.00 15.02 H new ATOM 0 HD11 LEU A 77 15.017 -4.420 -1.412 1.00 51.24 H new ATOM 0 HD12 LEU A 77 13.926 -4.311 -2.813 1.00 51.24 H new ATOM 0 HD13 LEU A 77 14.793 -5.829 -2.476 1.00 51.24 H new ATOM 0 HD21 LEU A 77 17.426 -4.494 -1.712 1.00 74.10 H new ATOM 0 HD22 LEU A 77 17.325 -5.890 -2.811 1.00 74.10 H new ATOM 0 HD23 LEU A 77 18.148 -4.403 -3.336 1.00 74.10 H new ATOM 1134 N SER A 78 12.951 -4.745 -5.395 1.00 12.20 N ATOM 1135 CA SER A 78 11.554 -4.877 -4.964 1.00 52.21 C ATOM 1136 C SER A 78 11.377 -4.558 -3.473 1.00 41.44 C ATOM 1137 O SER A 78 11.616 -5.418 -2.618 1.00 64.04 O ATOM 1138 CB SER A 78 11.083 -6.306 -5.198 1.00 65.52 C ATOM 1139 OG SER A 78 11.355 -6.747 -6.517 1.00 30.22 O ATOM 0 H SER A 78 13.362 -5.624 -5.711 1.00 12.20 H new ATOM 0 HA SER A 78 10.969 -4.165 -5.546 1.00 52.21 H new ATOM 0 HB2 SER A 78 11.573 -6.970 -4.486 1.00 65.52 H new ATOM 0 HB3 SER A 78 10.012 -6.370 -5.008 1.00 65.52 H new ATOM 0 HG SER A 78 11.039 -7.668 -6.626 1.00 30.22 H new ATOM 1145 N VAL A 79 10.978 -3.322 -3.176 1.00 72.22 N ATOM 1146 CA VAL A 79 10.684 -2.907 -1.806 1.00 21.41 C ATOM 1147 C VAL A 79 9.348 -3.525 -1.381 1.00 72.21 C ATOM 1148 O VAL A 79 8.308 -3.246 -1.978 1.00 22.23 O ATOM 1149 CB VAL A 79 10.661 -1.351 -1.662 1.00 62.33 C ATOM 1150 CG1 VAL A 79 10.383 -0.931 -0.224 1.00 63.41 C ATOM 1151 CG2 VAL A 79 11.987 -0.748 -2.126 1.00 61.34 C ATOM 0 H VAL A 79 10.850 -2.587 -3.871 1.00 72.22 H new ATOM 0 HA VAL A 79 11.477 -3.264 -1.149 1.00 21.41 H new ATOM 0 HB VAL A 79 9.855 -0.976 -2.293 1.00 62.33 H new ATOM 0 HG11 VAL A 79 10.374 0.157 -0.158 1.00 63.41 H new ATOM 0 HG12 VAL A 79 9.415 -1.322 0.088 1.00 63.41 H new ATOM 0 HG13 VAL A 79 11.162 -1.327 0.428 1.00 63.41 H new ATOM 0 HG21 VAL A 79 11.951 0.336 -2.018 1.00 61.34 H new ATOM 0 HG22 VAL A 79 12.800 -1.147 -1.519 1.00 61.34 H new ATOM 0 HG23 VAL A 79 12.156 -1.003 -3.172 1.00 61.34 H new ATOM 1161 N ARG A 80 9.417 -4.419 -0.394 1.00 32.14 N ATOM 1162 CA ARG A 80 8.261 -5.190 0.058 1.00 52.35 C ATOM 1163 C ARG A 80 7.357 -4.347 0.944 1.00 2.43 C ATOM 1164 O ARG A 80 7.829 -3.575 1.782 1.00 2.02 O ATOM 1165 CB ARG A 80 8.720 -6.437 0.819 1.00 21.12 C ATOM 1166 CG ARG A 80 9.524 -7.416 -0.027 1.00 63.14 C ATOM 1167 CD ARG A 80 9.998 -8.607 0.794 1.00 3.22 C ATOM 1168 NE ARG A 80 8.887 -9.392 1.351 1.00 41.45 N ATOM 1169 CZ ARG A 80 9.012 -10.327 2.299 1.00 61.32 C ATOM 1170 NH1 ARG A 80 10.205 -10.642 2.797 1.00 50.21 N ATOM 1171 NH2 ARG A 80 7.936 -10.956 2.745 1.00 22.01 N ATOM 0 H ARG A 80 10.276 -4.628 0.114 1.00 32.14 H new ATOM 0 HA ARG A 80 7.694 -5.496 -0.821 1.00 52.35 H new ATOM 0 HB2 ARG A 80 9.324 -6.128 1.672 1.00 21.12 H new ATOM 0 HB3 ARG A 80 7.845 -6.950 1.217 1.00 21.12 H new ATOM 0 HG2 ARG A 80 8.913 -7.767 -0.859 1.00 63.14 H new ATOM 0 HG3 ARG A 80 10.385 -6.904 -0.458 1.00 63.14 H new ATOM 0 HD2 ARG A 80 10.615 -9.252 0.168 1.00 3.22 H new ATOM 0 HD3 ARG A 80 10.631 -8.253 1.608 1.00 3.22 H new ATOM 0 HE ARG A 80 7.951 -9.210 0.988 1.00 41.45 H new ATOM 0 HH11 ARG A 80 11.041 -10.168 2.456 1.00 50.21 H new ATOM 0 HH12 ARG A 80 10.283 -11.357 3.520 1.00 50.21 H new ATOM 0 HH21 ARG A 80 7.017 -10.727 2.366 1.00 22.01 H new ATOM 0 HH22 ARG A 80 8.026 -11.670 3.468 1.00 22.01 H new ATOM 1185 N PHE A 81 6.061 -4.483 0.741 1.00 34.24 N ATOM 1186 CA PHE A 81 5.095 -3.695 1.483 1.00 43.51 C ATOM 1187 C PHE A 81 4.480 -4.555 2.565 1.00 3.21 C ATOM 1188 O PHE A 81 3.920 -5.618 2.283 1.00 34.53 O ATOM 1189 CB PHE A 81 4.009 -3.154 0.539 1.00 22.23 C ATOM 1190 CG PHE A 81 4.568 -2.538 -0.718 1.00 11.31 C ATOM 1191 CD1 PHE A 81 5.308 -1.370 -0.666 1.00 43.41 C ATOM 1192 CD2 PHE A 81 4.377 -3.152 -1.948 1.00 45.31 C ATOM 1193 CE1 PHE A 81 5.840 -0.821 -1.815 1.00 23.05 C ATOM 1194 CE2 PHE A 81 4.909 -2.609 -3.099 1.00 53.51 C ATOM 1195 CZ PHE A 81 5.642 -1.443 -3.032 1.00 72.34 C ATOM 0 H PHE A 81 5.652 -5.132 0.068 1.00 34.24 H new ATOM 0 HA PHE A 81 5.596 -2.843 1.943 1.00 43.51 H new ATOM 0 HB2 PHE A 81 3.334 -3.966 0.269 1.00 22.23 H new ATOM 0 HB3 PHE A 81 3.415 -2.409 1.068 1.00 22.23 H new ATOM 0 HD1 PHE A 81 5.471 -0.883 0.284 1.00 43.41 H new ATOM 0 HD2 PHE A 81 3.805 -4.066 -2.005 1.00 45.31 H new ATOM 0 HE1 PHE A 81 6.411 0.094 -1.762 1.00 23.05 H new ATOM 0 HE2 PHE A 81 4.752 -3.096 -4.050 1.00 53.51 H new ATOM 0 HZ PHE A 81 6.061 -1.016 -3.931 1.00 72.34 H new ATOM 1205 N LYS A 82 4.603 -4.105 3.803 1.00 23.11 N ATOM 1206 CA LYS A 82 4.045 -4.832 4.920 1.00 2.01 C ATOM 1207 C LYS A 82 2.710 -4.222 5.317 1.00 51.33 C ATOM 1208 O LYS A 82 2.621 -3.033 5.625 1.00 1.12 O ATOM 1209 CB LYS A 82 5.031 -4.876 6.106 1.00 25.33 C ATOM 1210 CG LYS A 82 4.527 -5.647 7.330 1.00 11.11 C ATOM 1211 CD LYS A 82 4.034 -7.044 6.967 1.00 51.43 C ATOM 1212 CE LYS A 82 3.195 -7.639 8.078 1.00 0.30 C ATOM 1213 NZ LYS A 82 2.187 -8.586 7.552 1.00 55.21 N ATOM 0 H LYS A 82 5.084 -3.241 4.055 1.00 23.11 H new ATOM 0 HA LYS A 82 3.871 -5.865 4.617 1.00 2.01 H new ATOM 0 HB2 LYS A 82 5.964 -5.327 5.768 1.00 25.33 H new ATOM 0 HB3 LYS A 82 5.262 -3.854 6.407 1.00 25.33 H new ATOM 0 HG2 LYS A 82 5.329 -5.726 8.064 1.00 11.11 H new ATOM 0 HG3 LYS A 82 3.718 -5.089 7.801 1.00 11.11 H new ATOM 0 HD2 LYS A 82 3.446 -6.997 6.050 1.00 51.43 H new ATOM 0 HD3 LYS A 82 4.887 -7.692 6.766 1.00 51.43 H new ATOM 0 HE2 LYS A 82 3.843 -8.153 8.788 1.00 0.30 H new ATOM 0 HE3 LYS A 82 2.694 -6.840 8.624 1.00 0.30 H new ATOM 0 HZ1 LYS A 82 1.544 -8.870 8.319 1.00 55.21 H new ATOM 0 HZ2 LYS A 82 1.641 -8.127 6.795 1.00 55.21 H new ATOM 0 HZ3 LYS A 82 2.666 -9.427 7.172 1.00 55.21 H new ATOM 1227 N ASP A 83 1.687 -5.063 5.304 1.00 5.32 N ATOM 1228 CA ASP A 83 0.333 -4.659 5.624 1.00 2.32 C ATOM 1229 C ASP A 83 0.098 -4.710 7.130 1.00 35.22 C ATOM 1230 O ASP A 83 0.613 -5.576 7.831 1.00 14.45 O ATOM 1231 CB ASP A 83 -0.679 -5.546 4.875 1.00 13.03 C ATOM 1232 CG ASP A 83 -0.732 -6.989 5.347 1.00 25.31 C ATOM 1233 OD1 ASP A 83 0.300 -7.694 5.287 1.00 54.13 O ATOM 1234 OD2 ASP A 83 -1.820 -7.427 5.766 1.00 33.41 O ATOM 0 H ASP A 83 1.777 -6.051 5.069 1.00 5.32 H new ATOM 0 HA ASP A 83 0.190 -3.629 5.299 1.00 2.32 H new ATOM 0 HB2 ASP A 83 -1.672 -5.108 4.979 1.00 13.03 H new ATOM 0 HB3 ASP A 83 -0.435 -5.534 3.813 1.00 13.03 H new ATOM 1239 N PHE A 84 -0.643 -3.734 7.612 1.00 40.11 N ATOM 1240 CA PHE A 84 -1.039 -3.650 9.017 1.00 1.43 C ATOM 1241 C PHE A 84 -2.544 -3.460 9.100 1.00 32.24 C ATOM 1242 O PHE A 84 -3.074 -2.956 10.099 1.00 20.35 O ATOM 1243 CB PHE A 84 -0.320 -2.490 9.719 1.00 74.04 C ATOM 1244 CG PHE A 84 1.160 -2.679 9.839 1.00 53.30 C ATOM 1245 CD1 PHE A 84 1.686 -3.480 10.841 1.00 41.15 C ATOM 1246 CD2 PHE A 84 2.025 -2.073 8.948 1.00 30.44 C ATOM 1247 CE1 PHE A 84 3.046 -3.667 10.951 1.00 21.53 C ATOM 1248 CE2 PHE A 84 3.385 -2.260 9.054 1.00 45.10 C ATOM 1249 CZ PHE A 84 3.896 -3.057 10.054 1.00 1.02 C ATOM 0 H PHE A 84 -0.995 -2.966 7.040 1.00 40.11 H new ATOM 0 HA PHE A 84 -0.757 -4.574 9.521 1.00 1.43 H new ATOM 0 HB2 PHE A 84 -0.516 -1.569 9.170 1.00 74.04 H new ATOM 0 HB3 PHE A 84 -0.742 -2.363 10.716 1.00 74.04 H new ATOM 0 HD1 PHE A 84 1.022 -3.963 11.543 1.00 41.15 H new ATOM 0 HD2 PHE A 84 1.631 -1.447 8.161 1.00 30.44 H new ATOM 0 HE1 PHE A 84 3.445 -4.290 11.738 1.00 21.53 H new ATOM 0 HE2 PHE A 84 4.052 -1.781 8.352 1.00 45.10 H new ATOM 0 HZ PHE A 84 4.963 -3.204 10.135 1.00 1.02 H new ATOM 1259 N SER A 85 -3.204 -3.864 8.016 1.00 72.41 N ATOM 1260 CA SER A 85 -4.639 -3.776 7.877 1.00 34.24 C ATOM 1261 C SER A 85 -5.378 -4.629 8.901 1.00 64.10 C ATOM 1262 O SER A 85 -5.235 -5.850 8.953 1.00 54.54 O ATOM 1263 CB SER A 85 -5.018 -4.171 6.467 1.00 52.04 C ATOM 1264 OG SER A 85 -4.399 -3.309 5.525 1.00 44.10 O ATOM 0 H SER A 85 -2.740 -4.267 7.202 1.00 72.41 H new ATOM 0 HA SER A 85 -4.940 -2.746 8.069 1.00 34.24 H new ATOM 0 HB2 SER A 85 -4.717 -5.201 6.278 1.00 52.04 H new ATOM 0 HB3 SER A 85 -6.101 -4.129 6.350 1.00 52.04 H new ATOM 0 HG SER A 85 -4.653 -3.579 4.618 1.00 44.10 H new ATOM 1270 N GLU A 86 -6.164 -3.938 9.709 1.00 1.23 N ATOM 1271 CA GLU A 86 -6.862 -4.524 10.838 1.00 23.24 C ATOM 1272 C GLU A 86 -8.366 -4.443 10.577 1.00 14.31 C ATOM 1273 O GLU A 86 -8.799 -3.547 9.853 1.00 45.35 O ATOM 1274 CB GLU A 86 -6.489 -3.725 12.093 1.00 62.31 C ATOM 1275 CG GLU A 86 -6.933 -4.341 13.412 1.00 11.11 C ATOM 1276 CD GLU A 86 -6.582 -3.477 14.598 1.00 14.14 C ATOM 1277 OE1 GLU A 86 -5.465 -3.622 15.127 1.00 64.41 O ATOM 1278 OE2 GLU A 86 -7.421 -2.651 15.008 1.00 32.41 O ATOM 0 H GLU A 86 -6.337 -2.939 9.596 1.00 1.23 H new ATOM 0 HA GLU A 86 -6.585 -5.569 10.978 1.00 23.24 H new ATOM 0 HB2 GLU A 86 -5.406 -3.600 12.116 1.00 62.31 H new ATOM 0 HB3 GLU A 86 -6.923 -2.729 12.012 1.00 62.31 H new ATOM 0 HG2 GLU A 86 -8.011 -4.502 13.390 1.00 11.11 H new ATOM 0 HG3 GLU A 86 -6.467 -5.319 13.528 1.00 11.11 H new ATOM 1285 N ASN A 87 -9.130 -5.406 11.136 1.00 54.01 N ATOM 1286 CA ASN A 87 -10.618 -5.399 11.147 1.00 33.03 C ATOM 1287 C ASN A 87 -11.206 -5.455 9.731 1.00 23.15 C ATOM 1288 O ASN A 87 -12.231 -4.840 9.438 1.00 31.43 O ATOM 1289 CB ASN A 87 -11.140 -4.162 11.902 1.00 33.11 C ATOM 1290 CG ASN A 87 -10.681 -4.094 13.350 1.00 31.22 C ATOM 1291 OD1 ASN A 87 -10.637 -5.099 14.061 1.00 33.40 O ATOM 1292 ND2 ASN A 87 -10.285 -2.904 13.775 1.00 34.13 N ATOM 0 H ASN A 87 -8.731 -6.222 11.599 1.00 54.01 H new ATOM 0 HA ASN A 87 -10.946 -6.299 11.667 1.00 33.03 H new ATOM 0 HB2 ASN A 87 -10.809 -3.263 11.382 1.00 33.11 H new ATOM 0 HB3 ASN A 87 -12.230 -4.163 11.875 1.00 33.11 H new ATOM 0 HD21 ASN A 87 -9.927 -2.795 14.724 1.00 34.13 H new ATOM 0 HD22 ASN A 87 -10.338 -2.097 13.154 1.00 34.13 H new ATOM 1299 N ALA A 88 -10.564 -6.226 8.867 1.00 62.10 N ATOM 1300 CA ALA A 88 -10.934 -6.280 7.464 1.00 13.14 C ATOM 1301 C ALA A 88 -11.394 -7.675 7.081 1.00 23.32 C ATOM 1302 O ALA A 88 -10.865 -8.670 7.580 1.00 22.51 O ATOM 1303 CB ALA A 88 -9.760 -5.858 6.599 1.00 4.33 C ATOM 0 H ALA A 88 -9.778 -6.827 9.117 1.00 62.10 H new ATOM 0 HA ALA A 88 -11.762 -5.591 7.299 1.00 13.14 H new ATOM 0 HB1 ALA A 88 -10.048 -5.902 5.549 1.00 4.33 H new ATOM 0 HB2 ALA A 88 -9.469 -4.839 6.853 1.00 4.33 H new ATOM 0 HB3 ALA A 88 -8.920 -6.530 6.773 1.00 4.33 H new ATOM 1309 N THR A 89 -12.377 -7.739 6.194 1.00 5.31 N ATOM 1310 CA THR A 89 -12.862 -9.006 5.667 1.00 12.11 C ATOM 1311 C THR A 89 -12.052 -9.404 4.423 1.00 2.22 C ATOM 1312 O THR A 89 -11.853 -10.593 4.159 1.00 24.20 O ATOM 1313 CB THR A 89 -14.395 -8.967 5.354 1.00 20.22 C ATOM 1314 OG1 THR A 89 -14.847 -10.228 4.850 1.00 75.30 O ATOM 1315 CG2 THR A 89 -14.767 -7.881 4.355 1.00 42.34 C ATOM 0 H THR A 89 -12.858 -6.920 5.822 1.00 5.31 H new ATOM 0 HA THR A 89 -12.720 -9.764 6.438 1.00 12.11 H new ATOM 0 HB THR A 89 -14.886 -8.742 6.301 1.00 20.22 H new ATOM 0 HG1 THR A 89 -15.808 -10.180 4.663 1.00 75.30 H new ATOM 0 HG21 THR A 89 -15.842 -7.903 4.178 1.00 42.34 H new ATOM 0 HG22 THR A 89 -14.485 -6.907 4.755 1.00 42.34 H new ATOM 0 HG23 THR A 89 -14.241 -8.054 3.416 1.00 42.34 H new ATOM 1323 N SER A 90 -11.575 -8.405 3.677 1.00 64.43 N ATOM 1324 CA SER A 90 -10.780 -8.629 2.480 1.00 32.23 C ATOM 1325 C SER A 90 -9.767 -7.503 2.332 1.00 43.34 C ATOM 1326 O SER A 90 -10.017 -6.378 2.780 1.00 72.40 O ATOM 1327 CB SER A 90 -11.675 -8.660 1.233 1.00 11.43 C ATOM 1328 OG SER A 90 -12.702 -9.640 1.328 1.00 41.10 O ATOM 0 H SER A 90 -11.732 -7.420 3.891 1.00 64.43 H new ATOM 0 HA SER A 90 -10.271 -9.588 2.575 1.00 32.23 H new ATOM 0 HB2 SER A 90 -12.126 -7.678 1.088 1.00 11.43 H new ATOM 0 HB3 SER A 90 -11.063 -8.863 0.354 1.00 11.43 H new ATOM 0 HG SER A 90 -13.247 -9.623 0.514 1.00 41.10 H new ATOM 1334 N ARG A 91 -8.622 -7.816 1.736 1.00 44.14 N ATOM 1335 CA ARG A 91 -7.643 -6.803 1.371 1.00 75.34 C ATOM 1336 C ARG A 91 -7.479 -6.771 -0.148 1.00 72.33 C ATOM 1337 O ARG A 91 -7.430 -7.807 -0.811 1.00 25.33 O ATOM 1338 CB ARG A 91 -6.286 -7.027 2.083 1.00 75.20 C ATOM 1339 CG ARG A 91 -5.587 -8.342 1.749 1.00 13.23 C ATOM 1340 CD ARG A 91 -4.235 -8.468 2.433 1.00 5.42 C ATOM 1341 NE ARG A 91 -3.509 -9.640 1.951 1.00 72.51 N ATOM 1342 CZ ARG A 91 -2.424 -10.162 2.516 1.00 45.25 C ATOM 1343 NH1 ARG A 91 -1.900 -9.641 3.615 1.00 1.54 N ATOM 1344 NH2 ARG A 91 -1.867 -11.221 1.962 1.00 13.51 N ATOM 0 H ARG A 91 -8.349 -8.769 1.495 1.00 44.14 H new ATOM 0 HA ARG A 91 -8.011 -5.833 1.706 1.00 75.34 H new ATOM 0 HB2 ARG A 91 -5.619 -6.204 1.827 1.00 75.20 H new ATOM 0 HB3 ARG A 91 -6.447 -6.983 3.160 1.00 75.20 H new ATOM 0 HG2 ARG A 91 -6.223 -9.175 2.050 1.00 13.23 H new ATOM 0 HG3 ARG A 91 -5.454 -8.416 0.670 1.00 13.23 H new ATOM 0 HD2 ARG A 91 -3.646 -7.570 2.248 1.00 5.42 H new ATOM 0 HD3 ARG A 91 -4.375 -8.541 3.511 1.00 5.42 H new ATOM 0 HE ARG A 91 -3.864 -10.096 1.111 1.00 72.51 H new ATOM 0 HH11 ARG A 91 -2.329 -8.822 4.046 1.00 1.54 H new ATOM 0 HH12 ARG A 91 -1.067 -10.059 4.030 1.00 1.54 H new ATOM 0 HH21 ARG A 91 -2.269 -11.625 1.116 1.00 13.51 H new ATOM 0 HH22 ARG A 91 -1.034 -11.637 2.380 1.00 13.51 H new ATOM 1358 N LEU A 92 -7.426 -5.576 -0.692 1.00 53.41 N ATOM 1359 CA LEU A 92 -7.326 -5.365 -2.122 1.00 31.15 C ATOM 1360 C LEU A 92 -6.012 -4.654 -2.409 1.00 74.31 C ATOM 1361 O LEU A 92 -5.794 -3.527 -1.956 1.00 72.03 O ATOM 1362 CB LEU A 92 -8.528 -4.524 -2.592 1.00 33.52 C ATOM 1363 CG LEU A 92 -8.671 -4.303 -4.105 1.00 53.32 C ATOM 1364 CD1 LEU A 92 -8.994 -5.601 -4.808 1.00 61.44 C ATOM 1365 CD2 LEU A 92 -9.758 -3.286 -4.399 1.00 61.00 C ATOM 0 H LEU A 92 -7.451 -4.713 -0.150 1.00 53.41 H new ATOM 0 HA LEU A 92 -7.342 -6.313 -2.661 1.00 31.15 H new ATOM 0 HB2 LEU A 92 -9.439 -5.002 -2.231 1.00 33.52 H new ATOM 0 HB3 LEU A 92 -8.468 -3.548 -2.111 1.00 33.52 H new ATOM 0 HG LEU A 92 -7.719 -3.925 -4.476 1.00 53.32 H new ATOM 0 HD11 LEU A 92 -9.091 -5.421 -5.879 1.00 61.44 H new ATOM 0 HD12 LEU A 92 -8.193 -6.319 -4.632 1.00 61.44 H new ATOM 0 HD13 LEU A 92 -9.931 -6.001 -4.421 1.00 61.44 H new ATOM 0 HD21 LEU A 92 -9.842 -3.145 -5.477 1.00 61.00 H new ATOM 0 HD22 LEU A 92 -10.709 -3.645 -4.005 1.00 61.00 H new ATOM 0 HD23 LEU A 92 -9.505 -2.336 -3.927 1.00 61.00 H new ATOM 1377 N TRP A 93 -5.124 -5.324 -3.128 1.00 30.52 N ATOM 1378 CA TRP A 93 -3.841 -4.738 -3.479 1.00 13.31 C ATOM 1379 C TRP A 93 -3.946 -4.015 -4.805 1.00 33.10 C ATOM 1380 O TRP A 93 -4.550 -4.521 -5.757 1.00 31.31 O ATOM 1381 CB TRP A 93 -2.744 -5.803 -3.563 1.00 24.55 C ATOM 1382 CG TRP A 93 -2.313 -6.362 -2.235 1.00 61.42 C ATOM 1383 CD1 TRP A 93 -2.658 -7.569 -1.703 1.00 11.22 C ATOM 1384 CD2 TRP A 93 -1.440 -5.738 -1.276 1.00 54.20 C ATOM 1385 NE1 TRP A 93 -2.054 -7.739 -0.480 1.00 73.34 N ATOM 1386 CE2 TRP A 93 -1.303 -6.630 -0.193 1.00 64.44 C ATOM 1387 CE3 TRP A 93 -0.757 -4.512 -1.228 1.00 43.21 C ATOM 1388 CZ2 TRP A 93 -0.518 -6.338 0.921 1.00 55.43 C ATOM 1389 CZ3 TRP A 93 0.021 -4.225 -0.121 1.00 21.44 C ATOM 1390 CH2 TRP A 93 0.134 -5.135 0.940 1.00 41.13 C ATOM 0 H TRP A 93 -5.268 -6.271 -3.478 1.00 30.52 H new ATOM 0 HA TRP A 93 -3.573 -4.031 -2.694 1.00 13.31 H new ATOM 0 HB2 TRP A 93 -3.098 -6.622 -4.190 1.00 24.55 H new ATOM 0 HB3 TRP A 93 -1.875 -5.373 -4.061 1.00 24.55 H new ATOM 0 HD1 TRP A 93 -3.312 -8.288 -2.175 1.00 11.22 H new ATOM 0 HE1 TRP A 93 -2.150 -8.560 0.118 1.00 73.34 H new ATOM 0 HE3 TRP A 93 -0.838 -3.806 -2.041 1.00 43.21 H new ATOM 0 HZ2 TRP A 93 -0.428 -7.036 1.740 1.00 55.43 H new ATOM 0 HZ3 TRP A 93 0.550 -3.285 -0.073 1.00 21.44 H new ATOM 0 HH2 TRP A 93 0.749 -4.881 1.791 1.00 41.13 H new ATOM 1401 N MET A 94 -3.397 -2.810 -4.838 1.00 14.23 N ATOM 1402 CA MET A 94 -3.393 -2.001 -6.042 1.00 62.02 C ATOM 1403 C MET A 94 -1.978 -1.585 -6.406 1.00 52.25 C ATOM 1404 O MET A 94 -1.375 -0.722 -5.753 1.00 12.14 O ATOM 1405 CB MET A 94 -4.261 -0.747 -5.890 1.00 44.21 C ATOM 1406 CG MET A 94 -5.760 -0.990 -5.867 1.00 22.23 C ATOM 1407 SD MET A 94 -6.684 0.556 -5.747 1.00 61.41 S ATOM 1408 CE MET A 94 -8.369 -0.026 -5.905 1.00 1.31 C ATOM 0 H MET A 94 -2.946 -2.370 -4.036 1.00 14.23 H new ATOM 0 HA MET A 94 -3.811 -2.618 -6.838 1.00 62.02 H new ATOM 0 HB2 MET A 94 -3.978 -0.240 -4.967 1.00 44.21 H new ATOM 0 HB3 MET A 94 -4.033 -0.067 -6.710 1.00 44.21 H new ATOM 0 HG2 MET A 94 -6.056 -1.522 -6.771 1.00 22.23 H new ATOM 0 HG3 MET A 94 -6.012 -1.631 -5.022 1.00 22.23 H new ATOM 0 HE1 MET A 94 -9.013 0.535 -5.227 1.00 1.31 H new ATOM 0 HE2 MET A 94 -8.709 0.118 -6.931 1.00 1.31 H new ATOM 0 HE3 MET A 94 -8.413 -1.086 -5.654 1.00 1.31 H new ATOM 1418 N PHE A 95 -1.438 -2.241 -7.427 1.00 60.14 N ATOM 1419 CA PHE A 95 -0.268 -1.739 -8.139 1.00 11.20 C ATOM 1420 C PHE A 95 -0.739 -0.665 -9.116 1.00 71.12 C ATOM 1421 O PHE A 95 -0.032 0.303 -9.388 1.00 74.05 O ATOM 1422 CB PHE A 95 0.447 -2.865 -8.907 1.00 73.14 C ATOM 1423 CG PHE A 95 0.916 -4.018 -8.050 1.00 13.33 C ATOM 1424 CD1 PHE A 95 1.949 -3.855 -7.140 1.00 13.21 C ATOM 1425 CD2 PHE A 95 0.320 -5.267 -8.157 1.00 14.14 C ATOM 1426 CE1 PHE A 95 2.379 -4.913 -6.358 1.00 63.41 C ATOM 1427 CE2 PHE A 95 0.747 -6.325 -7.378 1.00 34.22 C ATOM 1428 CZ PHE A 95 1.775 -6.147 -6.476 1.00 52.31 C ATOM 0 H PHE A 95 -1.795 -3.128 -7.782 1.00 60.14 H new ATOM 0 HA PHE A 95 0.444 -1.329 -7.422 1.00 11.20 H new ATOM 0 HB2 PHE A 95 -0.228 -3.250 -9.671 1.00 73.14 H new ATOM 0 HB3 PHE A 95 1.308 -2.442 -9.425 1.00 73.14 H new ATOM 0 HD1 PHE A 95 2.424 -2.890 -7.040 1.00 13.21 H new ATOM 0 HD2 PHE A 95 -0.488 -5.414 -8.858 1.00 14.14 H new ATOM 0 HE1 PHE A 95 3.187 -4.772 -5.656 1.00 63.41 H new ATOM 0 HE2 PHE A 95 0.276 -7.292 -7.475 1.00 34.22 H new ATOM 0 HZ PHE A 95 2.106 -6.972 -5.863 1.00 52.31 H new ATOM 1438 N GLY A 96 -1.951 -0.878 -9.633 1.00 2.54 N ATOM 1439 CA GLY A 96 -2.673 0.128 -10.383 1.00 65.42 C ATOM 1440 C GLY A 96 -2.831 -0.204 -11.848 1.00 13.14 C ATOM 1441 O GLY A 96 -3.783 0.254 -12.479 1.00 73.12 O ATOM 0 H GLY A 96 -2.454 -1.760 -9.538 1.00 2.54 H new ATOM 0 HA2 GLY A 96 -3.661 0.259 -9.941 1.00 65.42 H new ATOM 0 HA3 GLY A 96 -2.153 1.081 -10.290 1.00 65.42 H new ATOM 1445 N ASP A 97 -1.927 -1.009 -12.393 1.00 13.24 N ATOM 1446 CA ASP A 97 -2.086 -1.541 -13.741 1.00 44.20 C ATOM 1447 C ASP A 97 -2.268 -3.058 -13.700 1.00 32.34 C ATOM 1448 O ASP A 97 -1.613 -3.753 -12.918 1.00 65.12 O ATOM 1449 CB ASP A 97 -0.859 -1.155 -14.587 1.00 53.42 C ATOM 1450 CG ASP A 97 -0.971 -1.551 -16.048 1.00 5.51 C ATOM 1451 OD1 ASP A 97 -1.679 -0.865 -16.803 1.00 22.42 O ATOM 1452 OD2 ASP A 97 -0.328 -2.539 -16.447 1.00 41.50 O ATOM 0 H ASP A 97 -1.074 -1.308 -11.921 1.00 13.24 H new ATOM 0 HA ASP A 97 -2.979 -1.113 -14.197 1.00 44.20 H new ATOM 0 HB2 ASP A 97 -0.710 -0.077 -14.523 1.00 53.42 H new ATOM 0 HB3 ASP A 97 0.027 -1.625 -14.160 1.00 53.42 H new ATOM 1457 N GLY A 98 -3.161 -3.558 -14.550 1.00 71.51 N ATOM 1458 CA GLY A 98 -3.414 -4.981 -14.627 1.00 52.51 C ATOM 1459 C GLY A 98 -4.706 -5.364 -13.944 1.00 3.15 C ATOM 1460 O GLY A 98 -5.753 -4.764 -14.202 1.00 52.15 O ATOM 0 H GLY A 98 -3.718 -2.994 -15.192 1.00 71.51 H new ATOM 0 HA2 GLY A 98 -3.452 -5.286 -15.673 1.00 52.51 H new ATOM 0 HA3 GLY A 98 -2.587 -5.522 -14.167 1.00 52.51 H new ATOM 1464 N ASN A 99 -4.628 -6.367 -13.078 1.00 53.13 N ATOM 1465 CA ASN A 99 -5.785 -6.831 -12.314 1.00 2.02 C ATOM 1466 C ASN A 99 -5.708 -6.311 -10.870 1.00 42.35 C ATOM 1467 O ASN A 99 -4.942 -5.391 -10.586 1.00 21.43 O ATOM 1468 CB ASN A 99 -5.899 -8.380 -12.377 1.00 75.25 C ATOM 1469 CG ASN A 99 -4.722 -9.135 -11.775 1.00 62.21 C ATOM 1470 OD1 ASN A 99 -4.737 -9.493 -10.600 1.00 53.21 O ATOM 1471 ND2 ASN A 99 -3.715 -9.412 -12.589 1.00 71.20 N ATOM 0 H ASN A 99 -3.768 -6.880 -12.885 1.00 53.13 H new ATOM 0 HA ASN A 99 -6.694 -6.428 -12.760 1.00 2.02 H new ATOM 0 HB2 ASN A 99 -6.809 -8.684 -11.860 1.00 75.25 H new ATOM 0 HB3 ASN A 99 -6.009 -8.679 -13.419 1.00 75.25 H new ATOM 0 HD21 ASN A 99 -2.913 -9.941 -12.246 1.00 71.20 H new ATOM 0 HD22 ASN A 99 -3.741 -9.096 -13.559 1.00 71.20 H new ATOM 1478 N THR A 100 -6.518 -6.885 -9.983 1.00 72.12 N ATOM 1479 CA THR A 100 -6.583 -6.472 -8.580 1.00 21.21 C ATOM 1480 C THR A 100 -6.781 -7.688 -7.672 1.00 40.21 C ATOM 1481 O THR A 100 -7.057 -8.792 -8.173 1.00 61.31 O ATOM 1482 CB THR A 100 -7.715 -5.446 -8.311 1.00 53.14 C ATOM 1483 OG1 THR A 100 -8.848 -5.728 -9.140 1.00 22.25 O ATOM 1484 CG2 THR A 100 -7.249 -4.016 -8.537 1.00 70.42 C ATOM 0 H THR A 100 -7.150 -7.651 -10.216 1.00 72.12 H new ATOM 0 HA THR A 100 -5.633 -5.988 -8.356 1.00 21.21 H new ATOM 0 HB THR A 100 -8.000 -5.541 -7.263 1.00 53.14 H new ATOM 0 HG1 THR A 100 -9.556 -5.075 -8.960 1.00 22.25 H new ATOM 0 HG21 THR A 100 -8.072 -3.329 -8.338 1.00 70.42 H new ATOM 0 HG22 THR A 100 -6.420 -3.793 -7.866 1.00 70.42 H new ATOM 0 HG23 THR A 100 -6.921 -3.899 -9.570 1.00 70.42 H new ATOM 1602 N THR A 109 8.715 -4.069 -8.582 1.00 41.23 N ATOM 1603 CA THR A 109 10.145 -3.980 -8.414 1.00 53.10 C ATOM 1604 C THR A 109 10.587 -2.550 -8.647 1.00 5.20 C ATOM 1605 O THR A 109 10.267 -1.952 -9.678 1.00 31.30 O ATOM 1606 CB THR A 109 10.873 -4.933 -9.395 1.00 43.52 C ATOM 1607 OG1 THR A 109 10.337 -6.257 -9.260 1.00 12.22 O ATOM 1608 CG2 THR A 109 12.381 -4.974 -9.138 1.00 25.44 C ATOM 0 HA THR A 109 10.403 -4.280 -7.398 1.00 53.10 H new ATOM 0 HB THR A 109 10.713 -4.556 -10.405 1.00 43.52 H new ATOM 0 HG1 THR A 109 10.574 -6.618 -8.380 1.00 12.22 H new ATOM 0 HG21 THR A 109 12.853 -5.654 -9.847 1.00 25.44 H new ATOM 0 HG22 THR A 109 12.798 -3.975 -9.261 1.00 25.44 H new ATOM 0 HG23 THR A 109 12.568 -5.323 -8.122 1.00 25.44 H new ATOM 1616 N PHE A 110 11.300 -1.996 -7.682 1.00 34.42 N ATOM 1617 CA PHE A 110 11.860 -0.663 -7.819 1.00 71.15 C ATOM 1618 C PHE A 110 13.256 -0.755 -8.445 1.00 53.13 C ATOM 1619 O PHE A 110 14.270 -0.501 -7.796 1.00 44.42 O ATOM 1620 CB PHE A 110 11.921 0.061 -6.467 1.00 14.23 C ATOM 1621 CG PHE A 110 10.586 0.390 -5.840 1.00 55.33 C ATOM 1622 CD1 PHE A 110 9.871 -0.566 -5.134 1.00 64.25 C ATOM 1623 CD2 PHE A 110 10.066 1.669 -5.932 1.00 10.23 C ATOM 1624 CE1 PHE A 110 8.671 -0.249 -4.533 1.00 1.42 C ATOM 1625 CE2 PHE A 110 8.861 1.989 -5.335 1.00 54.21 C ATOM 1626 CZ PHE A 110 8.164 1.029 -4.634 1.00 70.11 C ATOM 0 H PHE A 110 11.505 -2.450 -6.792 1.00 34.42 H new ATOM 0 HA PHE A 110 11.210 -0.080 -8.471 1.00 71.15 H new ATOM 0 HB2 PHE A 110 12.487 -0.557 -5.770 1.00 14.23 H new ATOM 0 HB3 PHE A 110 12.479 0.988 -6.597 1.00 14.23 H new ATOM 0 HD1 PHE A 110 10.259 -1.571 -5.054 1.00 64.25 H new ATOM 0 HD2 PHE A 110 10.609 2.427 -6.477 1.00 10.23 H new ATOM 0 HE1 PHE A 110 8.128 -1.003 -3.983 1.00 1.42 H new ATOM 0 HE2 PHE A 110 8.466 2.991 -5.418 1.00 54.21 H new ATOM 0 HZ PHE A 110 7.223 1.277 -4.165 1.00 70.11 H new ATOM 1636 N PHE A 111 13.283 -1.185 -9.705 1.00 21.41 N ATOM 1637 CA PHE A 111 14.507 -1.236 -10.493 1.00 41.11 C ATOM 1638 C PHE A 111 14.662 0.074 -11.255 1.00 65.52 C ATOM 1639 O PHE A 111 15.767 0.479 -11.616 1.00 65.23 O ATOM 1640 CB PHE A 111 14.499 -2.446 -11.465 1.00 51.24 C ATOM 1641 CG PHE A 111 13.402 -2.453 -12.521 1.00 52.33 C ATOM 1642 CD1 PHE A 111 12.153 -2.988 -12.250 1.00 20.24 C ATOM 1643 CD2 PHE A 111 13.627 -1.926 -13.789 1.00 12.24 C ATOM 1644 CE1 PHE A 111 11.160 -2.996 -13.207 1.00 72.33 C ATOM 1645 CE2 PHE A 111 12.636 -1.933 -14.750 1.00 40.12 C ATOM 1646 CZ PHE A 111 11.401 -2.466 -14.457 1.00 65.31 C ATOM 0 H PHE A 111 12.455 -1.507 -10.206 1.00 21.41 H new ATOM 0 HA PHE A 111 15.357 -1.368 -9.824 1.00 41.11 H new ATOM 0 HB2 PHE A 111 15.463 -2.484 -11.972 1.00 51.24 H new ATOM 0 HB3 PHE A 111 14.413 -3.359 -10.875 1.00 51.24 H new ATOM 0 HD1 PHE A 111 11.954 -3.405 -11.274 1.00 20.24 H new ATOM 0 HD2 PHE A 111 14.593 -1.505 -14.025 1.00 12.24 H new ATOM 0 HE1 PHE A 111 10.193 -3.418 -12.977 1.00 72.33 H new ATOM 0 HE2 PHE A 111 12.829 -1.521 -15.730 1.00 40.12 H new ATOM 0 HZ PHE A 111 10.622 -2.469 -15.205 1.00 65.31 H new ATOM 1656 N ASN A 112 13.524 0.722 -11.469 1.00 73.53 N ATOM 1657 CA ASN A 112 13.449 1.966 -12.186 1.00 63.32 C ATOM 1658 C ASN A 112 13.280 3.085 -11.162 1.00 73.21 C ATOM 1659 O ASN A 112 12.501 2.948 -10.215 1.00 42.10 O ATOM 1660 CB ASN A 112 12.262 1.913 -13.162 1.00 11.23 C ATOM 1661 CG ASN A 112 12.376 2.874 -14.333 1.00 53.40 C ATOM 1662 OD1 ASN A 112 12.994 3.936 -14.250 1.00 23.11 O ATOM 1663 ND2 ASN A 112 11.763 2.498 -15.444 1.00 4.54 N ATOM 0 H ASN A 112 12.620 0.384 -11.140 1.00 73.53 H new ATOM 0 HA ASN A 112 14.353 2.147 -12.768 1.00 63.32 H new ATOM 0 HB2 ASN A 112 12.168 0.898 -13.547 1.00 11.23 H new ATOM 0 HB3 ASN A 112 11.345 2.132 -12.614 1.00 11.23 H new ATOM 0 HD21 ASN A 112 11.793 3.096 -16.270 1.00 4.54 H new ATOM 0 HD22 ASN A 112 11.261 1.611 -15.474 1.00 4.54 H new ATOM 1670 N GLU A 113 14.046 4.152 -11.327 1.00 13.42 N ATOM 1671 CA GLU A 113 13.976 5.304 -10.448 1.00 72.04 C ATOM 1672 C GLU A 113 12.771 6.176 -10.823 1.00 35.33 C ATOM 1673 O GLU A 113 12.546 6.460 -12.000 1.00 43.42 O ATOM 1674 CB GLU A 113 15.306 6.074 -10.541 1.00 74.40 C ATOM 1675 CG GLU A 113 15.432 7.295 -9.642 1.00 35.33 C ATOM 1676 CD GLU A 113 15.104 8.577 -10.363 1.00 34.11 C ATOM 1677 OE1 GLU A 113 15.876 8.962 -11.264 1.00 74.41 O ATOM 1678 OE2 GLU A 113 14.067 9.189 -10.048 1.00 55.15 O ATOM 0 H GLU A 113 14.733 4.242 -12.075 1.00 13.42 H new ATOM 0 HA GLU A 113 13.832 4.992 -9.413 1.00 72.04 H new ATOM 0 HB2 GLU A 113 16.118 5.387 -10.304 1.00 74.40 H new ATOM 0 HB3 GLU A 113 15.448 6.391 -11.574 1.00 74.40 H new ATOM 0 HG2 GLU A 113 14.767 7.183 -8.786 1.00 35.33 H new ATOM 0 HG3 GLU A 113 16.448 7.351 -9.251 1.00 35.33 H new ATOM 1685 N GLY A 114 12.008 6.577 -9.812 1.00 13.42 N ATOM 1686 CA GLY A 114 10.852 7.420 -10.029 1.00 42.42 C ATOM 1687 C GLY A 114 10.004 7.571 -8.783 1.00 5.14 C ATOM 1688 O GLY A 114 10.299 6.981 -7.742 1.00 54.31 O ATOM 0 H GLY A 114 12.174 6.329 -8.837 1.00 13.42 H new ATOM 0 HA2 GLY A 114 11.181 8.404 -10.362 1.00 42.42 H new ATOM 0 HA3 GLY A 114 10.244 6.999 -10.830 1.00 42.42 H new ATOM 1692 N GLU A 115 8.945 8.349 -8.906 1.00 1.32 N ATOM 1693 CA GLU A 115 8.019 8.588 -7.813 1.00 13.24 C ATOM 1694 C GLU A 115 6.779 7.709 -7.999 1.00 51.42 C ATOM 1695 O GLU A 115 5.974 7.933 -8.907 1.00 33.14 O ATOM 1696 CB GLU A 115 7.668 10.077 -7.782 1.00 72.41 C ATOM 1697 CG GLU A 115 6.777 10.486 -6.628 1.00 54.14 C ATOM 1698 CD GLU A 115 6.461 11.960 -6.636 1.00 74.34 C ATOM 1699 OE1 GLU A 115 5.731 12.407 -7.539 1.00 74.24 O ATOM 1700 OE2 GLU A 115 6.953 12.681 -5.747 1.00 32.54 O ATOM 0 H GLU A 115 8.701 8.835 -9.769 1.00 1.32 H new ATOM 0 HA GLU A 115 8.469 8.325 -6.856 1.00 13.24 H new ATOM 0 HB2 GLU A 115 8.591 10.654 -7.735 1.00 72.41 H new ATOM 0 HB3 GLU A 115 7.175 10.341 -8.717 1.00 72.41 H new ATOM 0 HG2 GLU A 115 5.848 9.918 -6.672 1.00 54.14 H new ATOM 0 HG3 GLU A 115 7.264 10.227 -5.688 1.00 54.14 H new ATOM 1707 N TYR A 116 6.648 6.685 -7.156 1.00 51.10 N ATOM 1708 CA TYR A 116 5.596 5.677 -7.326 1.00 41.34 C ATOM 1709 C TYR A 116 4.657 5.671 -6.134 1.00 54.41 C ATOM 1710 O TYR A 116 5.100 5.675 -4.993 1.00 15.43 O ATOM 1711 CB TYR A 116 6.199 4.271 -7.491 1.00 32.24 C ATOM 1712 CG TYR A 116 7.206 4.157 -8.608 1.00 35.35 C ATOM 1713 CD1 TYR A 116 6.804 4.140 -9.936 1.00 3.24 C ATOM 1714 CD2 TYR A 116 8.558 4.078 -8.329 1.00 63.20 C ATOM 1715 CE1 TYR A 116 7.729 4.050 -10.954 1.00 15.05 C ATOM 1716 CE2 TYR A 116 9.485 3.986 -9.337 1.00 24.43 C ATOM 1717 CZ TYR A 116 9.067 3.973 -10.645 1.00 45.23 C ATOM 1718 OH TYR A 116 9.995 3.897 -11.644 1.00 12.23 O ATOM 0 H TYR A 116 7.254 6.530 -6.350 1.00 51.10 H new ATOM 0 HA TYR A 116 5.040 5.938 -8.226 1.00 41.34 H new ATOM 0 HB2 TYR A 116 6.677 3.981 -6.555 1.00 32.24 H new ATOM 0 HB3 TYR A 116 5.392 3.561 -7.671 1.00 32.24 H new ATOM 0 HD1 TYR A 116 5.752 4.198 -10.175 1.00 3.24 H new ATOM 0 HD2 TYR A 116 8.890 4.089 -7.301 1.00 63.20 H new ATOM 0 HE1 TYR A 116 7.406 4.040 -11.985 1.00 15.05 H new ATOM 0 HE2 TYR A 116 10.537 3.924 -9.103 1.00 24.43 H new ATOM 0 HH TYR A 116 10.882 4.105 -11.283 1.00 12.23 H new ATOM 1728 N ILE A 117 3.361 5.648 -6.398 1.00 74.22 N ATOM 1729 CA ILE A 117 2.376 5.681 -5.329 1.00 54.42 C ATOM 1730 C ILE A 117 1.705 4.306 -5.194 1.00 22.23 C ATOM 1731 O ILE A 117 1.051 3.821 -6.119 1.00 23.41 O ATOM 1732 CB ILE A 117 1.316 6.796 -5.553 1.00 12.34 C ATOM 1733 CG1 ILE A 117 1.998 8.133 -5.903 1.00 12.23 C ATOM 1734 CG2 ILE A 117 0.462 6.960 -4.301 1.00 52.11 C ATOM 1735 CD1 ILE A 117 1.043 9.246 -6.292 1.00 44.03 C ATOM 0 H ILE A 117 2.968 5.607 -7.338 1.00 74.22 H new ATOM 0 HA ILE A 117 2.894 5.917 -4.400 1.00 54.42 H new ATOM 0 HB ILE A 117 0.678 6.504 -6.388 1.00 12.34 H new ATOM 0 HG12 ILE A 117 2.587 8.460 -5.046 1.00 12.23 H new ATOM 0 HG13 ILE A 117 2.695 7.966 -6.724 1.00 12.23 H new ATOM 0 HG21 ILE A 117 -0.278 7.743 -4.466 1.00 52.11 H new ATOM 0 HG22 ILE A 117 -0.046 6.021 -4.081 1.00 52.11 H new ATOM 0 HG23 ILE A 117 1.099 7.234 -3.460 1.00 52.11 H new ATOM 0 HD11 ILE A 117 1.610 10.148 -6.521 1.00 44.03 H new ATOM 0 HD12 ILE A 117 0.471 8.944 -7.169 1.00 44.03 H new ATOM 0 HD13 ILE A 117 0.361 9.446 -5.465 1.00 44.03 H new ATOM 1747 N VAL A 118 1.908 3.686 -4.034 1.00 45.04 N ATOM 1748 CA VAL A 118 1.402 2.342 -3.735 1.00 10.21 C ATOM 1749 C VAL A 118 0.081 2.453 -2.980 1.00 34.01 C ATOM 1750 O VAL A 118 -0.047 3.309 -2.107 1.00 44.25 O ATOM 1751 CB VAL A 118 2.432 1.555 -2.879 1.00 25.12 C ATOM 1752 CG1 VAL A 118 1.994 0.112 -2.630 1.00 61.23 C ATOM 1753 CG2 VAL A 118 3.800 1.591 -3.538 1.00 12.23 C ATOM 0 H VAL A 118 2.433 4.104 -3.266 1.00 45.04 H new ATOM 0 HA VAL A 118 1.244 1.806 -4.671 1.00 10.21 H new ATOM 0 HB VAL A 118 2.490 2.044 -1.907 1.00 25.12 H new ATOM 0 HG11 VAL A 118 2.746 -0.398 -2.028 1.00 61.23 H new ATOM 0 HG12 VAL A 118 1.041 0.107 -2.101 1.00 61.23 H new ATOM 0 HG13 VAL A 118 1.882 -0.404 -3.584 1.00 61.23 H new ATOM 0 HG21 VAL A 118 4.512 1.036 -2.928 1.00 12.23 H new ATOM 0 HG22 VAL A 118 3.739 1.138 -4.528 1.00 12.23 H new ATOM 0 HG23 VAL A 118 4.131 2.625 -3.632 1.00 12.23 H new ATOM 1763 N SER A 119 -0.895 1.607 -3.321 1.00 42.24 N ATOM 1764 CA SER A 119 -2.206 1.642 -2.676 1.00 63.21 C ATOM 1765 C SER A 119 -2.572 0.293 -2.042 1.00 51.40 C ATOM 1766 O SER A 119 -2.372 -0.772 -2.632 1.00 61.42 O ATOM 1767 CB SER A 119 -3.282 2.052 -3.695 1.00 12.43 C ATOM 1768 OG SER A 119 -2.977 3.302 -4.297 1.00 22.15 O ATOM 0 H SER A 119 -0.800 0.890 -4.040 1.00 42.24 H new ATOM 0 HA SER A 119 -2.158 2.380 -1.875 1.00 63.21 H new ATOM 0 HB2 SER A 119 -3.366 1.286 -4.466 1.00 12.43 H new ATOM 0 HB3 SER A 119 -4.251 2.112 -3.199 1.00 12.43 H new ATOM 0 HG SER A 119 -2.612 3.910 -3.621 1.00 22.15 H new ATOM 1774 N LEU A 120 -3.113 0.373 -0.828 1.00 15.40 N ATOM 1775 CA LEU A 120 -3.698 -0.769 -0.134 1.00 62.32 C ATOM 1776 C LEU A 120 -5.045 -0.354 0.441 1.00 32.22 C ATOM 1777 O LEU A 120 -5.128 0.504 1.320 1.00 3.33 O ATOM 1778 CB LEU A 120 -2.753 -1.291 0.968 1.00 4.11 C ATOM 1779 CG LEU A 120 -3.294 -2.410 1.889 1.00 14.10 C ATOM 1780 CD1 LEU A 120 -3.771 -3.627 1.099 1.00 53.10 C ATOM 1781 CD2 LEU A 120 -2.226 -2.828 2.871 1.00 5.51 C ATOM 0 H LEU A 120 -3.157 1.241 -0.295 1.00 15.40 H new ATOM 0 HA LEU A 120 -3.845 -1.588 -0.838 1.00 62.32 H new ATOM 0 HB2 LEU A 120 -1.845 -1.657 0.489 1.00 4.11 H new ATOM 0 HB3 LEU A 120 -2.465 -0.447 1.595 1.00 4.11 H new ATOM 0 HG LEU A 120 -4.154 -2.005 2.423 1.00 14.10 H new ATOM 0 HD11 LEU A 120 -4.142 -4.386 1.788 1.00 53.10 H new ATOM 0 HD12 LEU A 120 -4.571 -3.330 0.421 1.00 53.10 H new ATOM 0 HD13 LEU A 120 -2.941 -4.035 0.523 1.00 53.10 H new ATOM 0 HD21 LEU A 120 -2.614 -3.616 3.516 1.00 5.51 H new ATOM 0 HD22 LEU A 120 -1.357 -3.199 2.327 1.00 5.51 H new ATOM 0 HD23 LEU A 120 -1.935 -1.971 3.479 1.00 5.51 H new ATOM 1793 N ILE A 121 -6.092 -0.968 -0.076 1.00 34.41 N ATOM 1794 CA ILE A 121 -7.456 -0.681 0.339 1.00 3.13 C ATOM 1795 C ILE A 121 -8.065 -1.946 0.925 1.00 72.12 C ATOM 1796 O ILE A 121 -7.908 -3.024 0.379 1.00 43.12 O ATOM 1797 CB ILE A 121 -8.290 -0.069 -0.858 1.00 70.12 C ATOM 1798 CG1 ILE A 121 -9.819 0.109 -0.559 1.00 42.32 C ATOM 1799 CG2 ILE A 121 -8.049 -0.821 -2.166 1.00 12.21 C ATOM 1800 CD1 ILE A 121 -10.731 -1.073 -0.876 1.00 13.52 C ATOM 0 H ILE A 121 -6.022 -1.684 -0.799 1.00 34.41 H new ATOM 0 HA ILE A 121 -7.468 0.081 1.118 1.00 3.13 H new ATOM 0 HB ILE A 121 -7.906 0.944 -0.979 1.00 70.12 H new ATOM 0 HG12 ILE A 121 -9.931 0.349 0.498 1.00 42.32 H new ATOM 0 HG13 ILE A 121 -10.176 0.972 -1.121 1.00 42.32 H new ATOM 0 HG21 ILE A 121 -8.641 -0.367 -2.961 1.00 12.21 H new ATOM 0 HG22 ILE A 121 -6.992 -0.769 -2.426 1.00 12.21 H new ATOM 0 HG23 ILE A 121 -8.342 -1.864 -2.045 1.00 12.21 H new ATOM 0 HD11 ILE A 121 -11.760 -0.817 -0.622 1.00 13.52 H new ATOM 0 HD12 ILE A 121 -10.667 -1.307 -1.939 1.00 13.52 H new ATOM 0 HD13 ILE A 121 -10.419 -1.940 -0.294 1.00 13.52 H new ATOM 1812 N VAL A 122 -8.717 -1.818 2.063 1.00 70.52 N ATOM 1813 CA VAL A 122 -9.392 -2.945 2.690 1.00 54.41 C ATOM 1814 C VAL A 122 -10.883 -2.685 2.802 1.00 3.01 C ATOM 1815 O VAL A 122 -11.332 -1.539 2.744 1.00 1.42 O ATOM 1816 CB VAL A 122 -8.809 -3.302 4.079 1.00 32.11 C ATOM 1817 CG1 VAL A 122 -7.425 -3.896 3.927 1.00 52.50 C ATOM 1818 CG2 VAL A 122 -8.761 -2.095 5.006 1.00 62.41 C ATOM 0 H VAL A 122 -8.796 -0.941 2.578 1.00 70.52 H new ATOM 0 HA VAL A 122 -9.221 -3.804 2.041 1.00 54.41 H new ATOM 0 HB VAL A 122 -9.473 -4.038 4.533 1.00 32.11 H new ATOM 0 HG11 VAL A 122 -7.025 -4.143 4.910 1.00 52.50 H new ATOM 0 HG12 VAL A 122 -7.482 -4.800 3.321 1.00 52.50 H new ATOM 0 HG13 VAL A 122 -6.770 -3.173 3.440 1.00 52.50 H new ATOM 0 HG21 VAL A 122 -8.345 -2.392 5.969 1.00 62.41 H new ATOM 0 HG22 VAL A 122 -8.134 -1.321 4.563 1.00 62.41 H new ATOM 0 HG23 VAL A 122 -9.769 -1.707 5.150 1.00 62.41 H new ATOM 1828 N SER A 123 -11.645 -3.749 2.965 1.00 71.22 N ATOM 1829 CA SER A 123 -13.083 -3.648 2.999 1.00 54.34 C ATOM 1830 C SER A 123 -13.641 -4.311 4.251 1.00 71.55 C ATOM 1831 O SER A 123 -12.980 -5.152 4.871 1.00 62.32 O ATOM 1832 CB SER A 123 -13.679 -4.277 1.736 1.00 64.21 C ATOM 1833 OG SER A 123 -13.222 -5.610 1.555 1.00 32.24 O ATOM 0 H SER A 123 -11.285 -4.697 3.076 1.00 71.22 H new ATOM 0 HA SER A 123 -13.361 -2.594 3.029 1.00 54.34 H new ATOM 0 HB2 SER A 123 -14.767 -4.270 1.803 1.00 64.21 H new ATOM 0 HB3 SER A 123 -13.409 -3.677 0.867 1.00 64.21 H new ATOM 0 HG SER A 123 -13.621 -5.985 0.742 1.00 32.24 H new ATOM 1839 N ASN A 124 -14.840 -3.888 4.613 1.00 13.15 N ATOM 1840 CA ASN A 124 -15.612 -4.432 5.726 1.00 13.51 C ATOM 1841 C ASN A 124 -17.064 -4.002 5.476 1.00 64.33 C ATOM 1842 O ASN A 124 -17.298 -3.161 4.596 1.00 12.04 O ATOM 1843 CB ASN A 124 -15.047 -3.891 7.063 1.00 11.34 C ATOM 1844 CG ASN A 124 -15.678 -4.457 8.321 1.00 31.31 C ATOM 1845 OD1 ASN A 124 -16.610 -3.878 8.861 1.00 12.44 O ATOM 1846 ND2 ASN A 124 -15.159 -5.575 8.806 1.00 34.11 N ATOM 0 H ASN A 124 -15.322 -3.132 4.127 1.00 13.15 H new ATOM 0 HA ASN A 124 -15.555 -5.518 5.793 1.00 13.51 H new ATOM 0 HB2 ASN A 124 -13.977 -4.094 7.093 1.00 11.34 H new ATOM 0 HB3 ASN A 124 -15.166 -2.808 7.075 1.00 11.34 H new ATOM 0 HD21 ASN A 124 -15.537 -5.984 9.661 1.00 34.11 H new ATOM 0 HD22 ASN A 124 -14.381 -6.027 8.325 1.00 34.11 H new ATOM 1853 N GLU A 125 -18.038 -4.550 6.203 1.00 51.21 N ATOM 1854 CA GLU A 125 -19.444 -4.206 5.966 1.00 50.22 C ATOM 1855 C GLU A 125 -19.839 -2.902 6.688 1.00 11.13 C ATOM 1856 O GLU A 125 -20.864 -2.302 6.363 1.00 75.44 O ATOM 1857 CB GLU A 125 -20.397 -5.356 6.371 1.00 34.34 C ATOM 1858 CG GLU A 125 -20.399 -5.734 7.855 1.00 25.24 C ATOM 1859 CD GLU A 125 -19.413 -6.829 8.206 1.00 73.45 C ATOM 1860 OE1 GLU A 125 -18.237 -6.519 8.453 1.00 25.13 O ATOM 1861 OE2 GLU A 125 -19.817 -8.008 8.251 1.00 23.24 O ATOM 0 H GLU A 125 -17.885 -5.225 6.952 1.00 51.21 H new ATOM 0 HA GLU A 125 -19.548 -4.047 4.893 1.00 50.22 H new ATOM 0 HB2 GLU A 125 -21.412 -5.078 6.086 1.00 34.34 H new ATOM 0 HB3 GLU A 125 -20.134 -6.241 5.791 1.00 34.34 H new ATOM 0 HG2 GLU A 125 -20.170 -4.848 8.447 1.00 25.24 H new ATOM 0 HG3 GLU A 125 -21.401 -6.056 8.138 1.00 25.24 H new ATOM 1868 N ASN A 126 -19.015 -2.479 7.649 1.00 41.51 N ATOM 1869 CA ASN A 126 -19.243 -1.247 8.407 1.00 60.31 C ATOM 1870 C ASN A 126 -18.720 -0.045 7.616 1.00 3.33 C ATOM 1871 O ASN A 126 -19.431 0.952 7.455 1.00 13.11 O ATOM 1872 CB ASN A 126 -18.548 -1.344 9.776 1.00 21.15 C ATOM 1873 CG ASN A 126 -18.915 -0.218 10.718 1.00 14.05 C ATOM 1874 OD1 ASN A 126 -19.995 0.358 10.638 1.00 71.12 O ATOM 1875 ND2 ASN A 126 -18.027 0.076 11.638 1.00 43.11 N ATOM 0 H ASN A 126 -18.171 -2.981 7.924 1.00 41.51 H new ATOM 0 HA ASN A 126 -20.312 -1.113 8.570 1.00 60.31 H new ATOM 0 HB2 ASN A 126 -18.808 -2.295 10.240 1.00 21.15 H new ATOM 0 HB3 ASN A 126 -17.468 -1.346 9.628 1.00 21.15 H new ATOM 0 HD21 ASN A 126 -18.223 0.808 12.321 1.00 43.11 H new ATOM 0 HD22 ASN A 126 -17.140 -0.427 11.670 1.00 43.11 H new ATOM 1882 N ASP A 127 -17.484 -0.166 7.121 1.00 73.41 N ATOM 1883 CA ASP A 127 -16.851 0.868 6.296 1.00 44.54 C ATOM 1884 C ASP A 127 -15.724 0.230 5.477 1.00 52.51 C ATOM 1885 O ASP A 127 -15.411 -0.939 5.674 1.00 45.52 O ATOM 1886 CB ASP A 127 -16.316 2.016 7.185 1.00 0.32 C ATOM 1887 CG ASP A 127 -16.036 3.302 6.419 1.00 64.11 C ATOM 1888 OD1 ASP A 127 -16.707 3.555 5.397 1.00 0.23 O ATOM 1889 OD2 ASP A 127 -15.158 4.072 6.845 1.00 54.14 O ATOM 0 H ASP A 127 -16.895 -0.983 7.281 1.00 73.41 H new ATOM 0 HA ASP A 127 -17.586 1.297 5.615 1.00 44.54 H new ATOM 0 HB2 ASP A 127 -17.041 2.223 7.972 1.00 0.32 H new ATOM 0 HB3 ASP A 127 -15.399 1.688 7.675 1.00 0.32 H new ATOM 1894 N SER A 128 -15.154 0.965 4.532 1.00 3.30 N ATOM 1895 CA SER A 128 -13.989 0.513 3.784 1.00 1.04 C ATOM 1896 C SER A 128 -12.949 1.623 3.763 1.00 13.15 C ATOM 1897 O SER A 128 -13.280 2.784 3.528 1.00 14.23 O ATOM 1898 CB SER A 128 -14.389 0.107 2.360 1.00 43.41 C ATOM 1899 OG SER A 128 -15.330 -0.960 2.386 1.00 42.10 O ATOM 0 H SER A 128 -15.486 1.891 4.262 1.00 3.30 H new ATOM 0 HA SER A 128 -13.562 -0.365 4.269 1.00 1.04 H new ATOM 0 HB2 SER A 128 -14.817 0.963 1.839 1.00 43.41 H new ATOM 0 HB3 SER A 128 -13.504 -0.196 1.801 1.00 43.41 H new ATOM 0 HG SER A 128 -15.574 -1.203 1.469 1.00 42.10 H new ATOM 1905 N ASP A 129 -11.703 1.269 4.027 1.00 71.34 N ATOM 1906 CA ASP A 129 -10.632 2.257 4.145 1.00 54.20 C ATOM 1907 C ASP A 129 -9.585 2.049 3.078 1.00 52.12 C ATOM 1908 O ASP A 129 -9.289 0.918 2.718 1.00 72.21 O ATOM 1909 CB ASP A 129 -9.968 2.170 5.523 1.00 31.21 C ATOM 1910 CG ASP A 129 -10.847 2.690 6.629 1.00 10.23 C ATOM 1911 OD1 ASP A 129 -11.640 1.907 7.171 1.00 4.13 O ATOM 1912 OD2 ASP A 129 -10.746 3.890 6.958 1.00 42.21 O ATOM 0 H ASP A 129 -11.403 0.304 4.165 1.00 71.34 H new ATOM 0 HA ASP A 129 -11.079 3.243 4.018 1.00 54.20 H new ATOM 0 HB2 ASP A 129 -9.707 1.132 5.730 1.00 31.21 H new ATOM 0 HB3 ASP A 129 -9.037 2.736 5.509 1.00 31.21 H new ATOM 1917 N SER A 130 -9.012 3.136 2.586 1.00 4.24 N ATOM 1918 CA SER A 130 -7.935 3.058 1.615 1.00 31.12 C ATOM 1919 C SER A 130 -6.768 3.938 2.042 1.00 15.24 C ATOM 1920 O SER A 130 -6.942 5.104 2.415 1.00 30.54 O ATOM 1921 CB SER A 130 -8.442 3.442 0.215 1.00 31.15 C ATOM 1922 OG SER A 130 -9.154 4.666 0.231 1.00 63.23 O ATOM 0 H SER A 130 -9.277 4.086 2.845 1.00 4.24 H new ATOM 0 HA SER A 130 -7.579 2.029 1.570 1.00 31.12 H new ATOM 0 HB2 SER A 130 -7.597 3.522 -0.468 1.00 31.15 H new ATOM 0 HB3 SER A 130 -9.087 2.651 -0.168 1.00 31.15 H new ATOM 0 HG SER A 130 -9.459 4.879 -0.676 1.00 63.23 H new ATOM 1928 N ALA A 131 -5.581 3.360 2.008 1.00 21.44 N ATOM 1929 CA ALA A 131 -4.364 4.084 2.308 1.00 63.45 C ATOM 1930 C ALA A 131 -3.451 4.055 1.107 1.00 43.43 C ATOM 1931 O ALA A 131 -3.433 3.083 0.344 1.00 72.44 O ATOM 1932 CB ALA A 131 -3.660 3.498 3.518 1.00 25.42 C ATOM 0 H ALA A 131 -5.436 2.378 1.772 1.00 21.44 H new ATOM 0 HA ALA A 131 -4.624 5.116 2.543 1.00 63.45 H new ATOM 0 HB1 ALA A 131 -2.750 4.063 3.718 1.00 25.42 H new ATOM 0 HB2 ALA A 131 -4.319 3.553 4.384 1.00 25.42 H new ATOM 0 HB3 ALA A 131 -3.405 2.457 3.322 1.00 25.42 H new ATOM 1938 N SER A 132 -2.705 5.122 0.930 1.00 70.51 N ATOM 1939 CA SER A 132 -1.772 5.216 -0.162 1.00 42.35 C ATOM 1940 C SER A 132 -0.576 6.047 0.289 1.00 12.23 C ATOM 1941 O SER A 132 -0.737 6.975 1.086 1.00 1.24 O ATOM 1942 CB SER A 132 -2.462 5.857 -1.376 1.00 62.23 C ATOM 1943 OG SER A 132 -1.811 5.521 -2.586 1.00 14.32 O ATOM 0 H SER A 132 -2.730 5.942 1.536 1.00 70.51 H new ATOM 0 HA SER A 132 -1.426 4.224 -0.454 1.00 42.35 H new ATOM 0 HB2 SER A 132 -3.501 5.530 -1.419 1.00 62.23 H new ATOM 0 HB3 SER A 132 -2.474 6.941 -1.258 1.00 62.23 H new ATOM 0 HG SER A 132 -1.216 4.757 -2.436 1.00 14.32 H new ATOM 1949 N VAL A 133 0.620 5.713 -0.189 1.00 13.45 N ATOM 1950 CA VAL A 133 1.807 6.473 0.178 1.00 35.14 C ATOM 1951 C VAL A 133 2.704 6.683 -1.050 1.00 70.44 C ATOM 1952 O VAL A 133 2.838 5.802 -1.913 1.00 32.54 O ATOM 1953 CB VAL A 133 2.583 5.826 1.383 1.00 23.44 C ATOM 1954 CG1 VAL A 133 3.281 4.522 1.015 1.00 42.42 C ATOM 1955 CG2 VAL A 133 3.575 6.814 1.999 1.00 13.30 C ATOM 0 H VAL A 133 0.790 4.932 -0.823 1.00 13.45 H new ATOM 0 HA VAL A 133 1.484 7.453 0.529 1.00 35.14 H new ATOM 0 HB VAL A 133 1.828 5.577 2.128 1.00 23.44 H new ATOM 0 HG11 VAL A 133 3.798 4.127 1.889 1.00 42.42 H new ATOM 0 HG12 VAL A 133 2.542 3.798 0.672 1.00 42.42 H new ATOM 0 HG13 VAL A 133 4.003 4.708 0.220 1.00 42.42 H new ATOM 0 HG21 VAL A 133 4.096 6.337 2.829 1.00 13.30 H new ATOM 0 HG22 VAL A 133 4.299 7.120 1.244 1.00 13.30 H new ATOM 0 HG23 VAL A 133 3.038 7.690 2.363 1.00 13.30 H new ATOM 1965 N THR A 134 3.255 7.883 -1.147 1.00 3.10 N ATOM 1966 CA THR A 134 4.138 8.258 -2.227 1.00 41.23 C ATOM 1967 C THR A 134 5.579 7.893 -1.874 1.00 4.05 C ATOM 1968 O THR A 134 6.128 8.368 -0.877 1.00 65.33 O ATOM 1969 CB THR A 134 4.001 9.770 -2.502 1.00 13.02 C ATOM 1970 OG1 THR A 134 2.627 10.084 -2.773 1.00 63.54 O ATOM 1971 CG2 THR A 134 4.846 10.214 -3.672 1.00 70.21 C ATOM 0 H THR A 134 3.097 8.628 -0.468 1.00 3.10 H new ATOM 0 HA THR A 134 3.863 7.714 -3.131 1.00 41.23 H new ATOM 0 HB THR A 134 4.350 10.298 -1.615 1.00 13.02 H new ATOM 0 HG1 THR A 134 2.539 11.045 -2.946 1.00 63.54 H new ATOM 0 HG21 THR A 134 4.717 11.285 -3.828 1.00 70.21 H new ATOM 0 HG22 THR A 134 5.895 10.001 -3.465 1.00 70.21 H new ATOM 0 HG23 THR A 134 4.537 9.677 -4.569 1.00 70.21 H new ATOM 1979 N ILE A 135 6.159 7.015 -2.680 1.00 63.41 N ATOM 1980 CA ILE A 135 7.531 6.567 -2.488 1.00 23.24 C ATOM 1981 C ILE A 135 8.463 7.474 -3.285 1.00 50.11 C ATOM 1982 O ILE A 135 8.244 7.713 -4.477 1.00 22.22 O ATOM 1983 CB ILE A 135 7.733 5.080 -2.925 1.00 20.00 C ATOM 1984 CG1 ILE A 135 6.658 4.152 -2.308 1.00 15.21 C ATOM 1985 CG2 ILE A 135 9.138 4.581 -2.565 1.00 1.12 C ATOM 1986 CD1 ILE A 135 6.609 4.134 -0.789 1.00 12.11 C ATOM 0 H ILE A 135 5.693 6.594 -3.484 1.00 63.41 H new ATOM 0 HA ILE A 135 7.761 6.623 -1.424 1.00 23.24 H new ATOM 0 HB ILE A 135 7.623 5.048 -4.009 1.00 20.00 H new ATOM 0 HG12 ILE A 135 5.681 4.456 -2.683 1.00 15.21 H new ATOM 0 HG13 ILE A 135 6.833 3.136 -2.661 1.00 15.21 H new ATOM 0 HG21 ILE A 135 9.248 3.544 -2.882 1.00 1.12 H new ATOM 0 HG22 ILE A 135 9.883 5.196 -3.070 1.00 1.12 H new ATOM 0 HG23 ILE A 135 9.283 4.649 -1.487 1.00 1.12 H new ATOM 0 HD11 ILE A 135 5.824 3.454 -0.458 1.00 12.11 H new ATOM 0 HD12 ILE A 135 7.569 3.797 -0.398 1.00 12.11 H new ATOM 0 HD13 ILE A 135 6.399 5.138 -0.420 1.00 12.11 H new ATOM 1998 N ARG A 136 9.491 7.974 -2.619 1.00 60.15 N ATOM 1999 CA ARG A 136 10.412 8.927 -3.216 1.00 31.42 C ATOM 2000 C ARG A 136 11.739 8.245 -3.528 1.00 42.12 C ATOM 2001 O ARG A 136 12.321 7.586 -2.662 1.00 43.30 O ATOM 2002 CB ARG A 136 10.633 10.102 -2.257 1.00 63.53 C ATOM 2003 CG ARG A 136 9.361 10.856 -1.901 1.00 32.22 C ATOM 2004 CD ARG A 136 9.252 11.096 -0.402 1.00 64.34 C ATOM 2005 NE ARG A 136 8.052 10.469 0.164 1.00 53.41 N ATOM 2006 CZ ARG A 136 7.638 10.599 1.427 1.00 44.32 C ATOM 2007 NH1 ARG A 136 8.334 11.321 2.304 1.00 63.43 N ATOM 2008 NH2 ARG A 136 6.519 10.001 1.802 1.00 3.03 N ATOM 0 H ARG A 136 9.710 7.732 -1.653 1.00 60.15 H new ATOM 0 HA ARG A 136 9.986 9.303 -4.146 1.00 31.42 H new ATOM 0 HB2 ARG A 136 11.091 9.729 -1.341 1.00 63.53 H new ATOM 0 HB3 ARG A 136 11.342 10.797 -2.707 1.00 63.53 H new ATOM 0 HG2 ARG A 136 9.345 11.812 -2.425 1.00 32.22 H new ATOM 0 HG3 ARG A 136 8.494 10.290 -2.243 1.00 32.22 H new ATOM 0 HD2 ARG A 136 10.138 10.700 0.095 1.00 64.34 H new ATOM 0 HD3 ARG A 136 9.229 12.168 -0.206 1.00 64.34 H new ATOM 0 HE ARG A 136 7.489 9.887 -0.457 1.00 53.41 H new ATOM 0 HH11 ARG A 136 9.196 11.784 2.014 1.00 63.43 H new ATOM 0 HH12 ARG A 136 8.005 11.411 3.265 1.00 63.43 H new ATOM 0 HH21 ARG A 136 5.985 9.450 1.130 1.00 3.03 H new ATOM 0 HH22 ARG A 136 6.190 10.091 2.763 1.00 3.03 H new ATOM 2022 N ALA A 137 12.216 8.399 -4.756 1.00 51.34 N ATOM 2023 CA ALA A 137 13.479 7.797 -5.156 1.00 43.44 C ATOM 2024 C ALA A 137 14.518 8.875 -5.410 1.00 22.13 C ATOM 2025 O ALA A 137 14.179 9.974 -5.849 1.00 44.55 O ATOM 2026 CB ALA A 137 13.310 6.920 -6.382 1.00 33.22 C ATOM 0 H ALA A 137 11.749 8.933 -5.489 1.00 51.34 H new ATOM 0 HA ALA A 137 13.823 7.162 -4.340 1.00 43.44 H new ATOM 0 HB1 ALA A 137 14.272 6.486 -6.654 1.00 33.22 H new ATOM 0 HB2 ALA A 137 12.600 6.122 -6.163 1.00 33.22 H new ATOM 0 HB3 ALA A 137 12.936 7.521 -7.211 1.00 33.22 H new ATOM 2032 N LEU A 138 15.775 8.569 -5.110 1.00 65.32 N ATOM 2033 CA LEU A 138 16.860 9.516 -5.309 1.00 44.33 C ATOM 2034 C LEU A 138 17.359 9.470 -6.737 1.00 73.01 C ATOM 2035 O LEU A 138 17.784 8.423 -7.235 1.00 65.54 O ATOM 2036 CB LEU A 138 18.008 9.258 -4.336 1.00 73.34 C ATOM 2037 CG LEU A 138 17.686 9.530 -2.862 1.00 61.40 C ATOM 2038 CD1 LEU A 138 18.850 9.138 -1.974 1.00 31.11 C ATOM 2039 CD2 LEU A 138 17.335 10.996 -2.650 1.00 41.11 C ATOM 0 H LEU A 138 16.066 7.669 -4.727 1.00 65.32 H new ATOM 0 HA LEU A 138 16.467 10.513 -5.110 1.00 44.33 H new ATOM 0 HB2 LEU A 138 18.323 8.219 -4.437 1.00 73.34 H new ATOM 0 HB3 LEU A 138 18.856 9.878 -4.627 1.00 73.34 H new ATOM 0 HG LEU A 138 16.823 8.922 -2.589 1.00 61.40 H new ATOM 0 HD11 LEU A 138 18.598 9.340 -0.933 1.00 31.11 H new ATOM 0 HD12 LEU A 138 19.060 8.075 -2.097 1.00 31.11 H new ATOM 0 HD13 LEU A 138 19.731 9.716 -2.253 1.00 31.11 H new ATOM 0 HD21 LEU A 138 17.110 11.168 -1.597 1.00 41.11 H new ATOM 0 HD22 LEU A 138 18.179 11.619 -2.947 1.00 41.11 H new ATOM 0 HD23 LEU A 138 16.465 11.253 -3.254 1.00 41.11 H new