USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 70 SER OG : rot 180:sc= -0.343 USER MOD Set 1.2: A 73 ASN : amide:sc= 1.31 K(o=3.1,f=-0.18!) USER MOD Set 1.3: A 75 TYR OH : rot -117:sc= 2.09 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 158:sc= 0.415 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot -119:sc= 0.897 USER MOD Single : A 3 GLN : amide:sc= -0.0902 K(o=-0.09,f=-0.68) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 18 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 75:sc= 0.355 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.188 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= -0.291 (180deg=-0.424) USER MOD Single : A 48 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.95) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 58 GLN : amide:sc= -1.33! C(o=-1.3!,f=-0.95!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 64 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.72) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00722 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 96 THR OG1 : rot -60:sc= 0.0898 USER MOD Single : A 98 LYS NZ :NH3+ -140:sc= -0.725! (180deg=-4.53!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.687 -0.943 3.435 1.00 0.15 N ATOM 21 CA VAL A 2 13.430 -0.386 2.973 1.00 0.10 C ATOM 22 C VAL A 2 12.422 -0.351 4.128 1.00 0.09 C ATOM 23 O VAL A 2 12.506 -1.135 5.075 1.00 0.12 O ATOM 24 CB VAL A 2 12.832 -1.169 1.770 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.592 -0.480 1.260 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.831 -1.306 0.637 1.00 0.09 C ATOM 0 HA VAL A 2 13.635 0.626 2.624 1.00 0.10 H new ATOM 0 HB VAL A 2 12.579 -2.167 2.127 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.185 -1.040 0.418 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.849 -0.431 2.056 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.844 0.530 0.936 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.376 -1.859 -0.185 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.125 -0.316 0.289 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.711 -1.842 0.991 1.00 0.09 H new ATOM 36 N GLN A 3 11.499 0.585 4.045 1.00 0.09 N ATOM 37 CA GLN A 3 10.467 0.795 5.034 1.00 0.10 C ATOM 38 C GLN A 3 9.135 0.779 4.306 1.00 0.11 C ATOM 39 O GLN A 3 9.085 1.084 3.120 1.00 0.17 O ATOM 40 CB GLN A 3 10.702 2.143 5.724 1.00 0.16 C ATOM 41 CG GLN A 3 9.578 2.571 6.624 1.00 0.79 C ATOM 42 CD GLN A 3 9.323 1.600 7.762 1.00 1.14 C ATOM 43 OE1 GLN A 3 10.234 0.921 8.231 1.00 1.37 O ATOM 44 NE2 GLN A 3 8.080 1.520 8.203 1.00 2.03 N ATOM 0 H GLN A 3 11.446 1.239 3.264 1.00 0.09 H new ATOM 0 HA GLN A 3 10.477 0.019 5.799 1.00 0.10 H new ATOM 0 HB2 GLN A 3 11.620 2.086 6.308 1.00 0.16 H new ATOM 0 HB3 GLN A 3 10.856 2.908 4.963 1.00 0.16 H new ATOM 0 HG2 GLN A 3 9.806 3.554 7.037 1.00 0.79 H new ATOM 0 HG3 GLN A 3 8.668 2.676 6.034 1.00 0.79 H new ATOM 0 HE21 GLN A 3 7.353 2.101 7.786 1.00 2.03 H new ATOM 0 HE22 GLN A 3 7.848 0.877 8.960 1.00 2.03 H new ATOM 53 N CYS A 4 8.063 0.413 4.978 1.00 0.12 N ATOM 54 CA CYS A 4 6.804 0.282 4.286 1.00 0.13 C ATOM 55 C CYS A 4 5.662 0.844 5.102 1.00 0.17 C ATOM 56 O CYS A 4 5.698 0.862 6.335 1.00 0.29 O ATOM 57 CB CYS A 4 6.542 -1.178 3.928 1.00 0.17 C ATOM 58 SG CYS A 4 5.716 -2.141 5.234 1.00 0.30 S ATOM 0 H CYS A 4 8.039 0.206 5.977 1.00 0.12 H new ATOM 0 HA CYS A 4 6.868 0.862 3.365 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.930 -1.213 3.026 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.492 -1.656 3.688 1.00 0.17 H new ATOM 63 N GLU A 5 4.673 1.328 4.386 1.00 0.14 N ATOM 64 CA GLU A 5 3.474 1.889 4.953 1.00 0.16 C ATOM 65 C GLU A 5 2.312 1.514 4.056 1.00 0.15 C ATOM 66 O GLU A 5 2.515 0.900 3.008 1.00 0.17 O ATOM 67 CB GLU A 5 3.593 3.406 5.075 1.00 0.24 C ATOM 68 CG GLU A 5 4.676 3.841 6.044 1.00 0.33 C ATOM 69 CD GLU A 5 4.663 5.327 6.312 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.829 5.773 7.128 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.484 6.054 5.720 1.00 1.87 O ATOM 0 H GLU A 5 4.683 1.341 3.366 1.00 0.14 H new ATOM 0 HA GLU A 5 3.315 1.494 5.956 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.802 3.828 4.092 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.636 3.815 5.401 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.550 3.306 6.985 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.650 3.558 5.644 1.00 0.33 H new ATOM 78 N VAL A 6 1.109 1.852 4.460 1.00 0.17 N ATOM 79 CA VAL A 6 -0.069 1.469 3.711 1.00 0.18 C ATOM 80 C VAL A 6 -1.069 2.606 3.600 1.00 0.21 C ATOM 81 O VAL A 6 -1.676 3.026 4.587 1.00 0.33 O ATOM 82 CB VAL A 6 -0.734 0.259 4.349 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.106 -1.014 3.818 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.601 0.337 5.860 1.00 0.20 C ATOM 0 H VAL A 6 0.919 2.392 5.304 1.00 0.17 H new ATOM 0 HA VAL A 6 0.260 1.215 2.703 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.794 0.251 4.095 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.587 -1.877 4.279 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.236 -1.061 2.737 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.958 -1.022 4.056 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.079 -0.532 6.313 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.454 0.353 6.132 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.083 1.245 6.221 1.00 0.20 H new ATOM 94 N GLU A 7 -1.234 3.090 2.382 1.00 0.16 N ATOM 95 CA GLU A 7 -2.051 4.255 2.113 1.00 0.16 C ATOM 96 C GLU A 7 -3.290 3.902 1.323 1.00 0.16 C ATOM 97 O GLU A 7 -3.364 2.869 0.658 1.00 0.28 O ATOM 98 CB GLU A 7 -1.267 5.273 1.296 1.00 0.26 C ATOM 99 CG GLU A 7 -0.182 6.045 2.036 1.00 0.24 C ATOM 100 CD GLU A 7 0.515 5.274 3.139 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.325 4.385 2.825 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.264 5.577 4.329 1.00 1.11 O ATOM 0 H GLU A 7 -0.803 2.684 1.551 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.338 4.665 3.081 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -0.805 4.754 0.456 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.972 5.991 0.878 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.566 6.373 1.314 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.625 6.943 2.466 1.00 0.24 H new ATOM 109 N ALA A 8 -4.242 4.795 1.400 1.00 0.14 N ATOM 110 CA ALA A 8 -5.435 4.742 0.592 1.00 0.12 C ATOM 111 C ALA A 8 -5.730 6.160 0.112 1.00 0.15 C ATOM 112 O ALA A 8 -5.802 7.079 0.925 1.00 0.17 O ATOM 113 CB ALA A 8 -6.580 4.193 1.411 1.00 0.13 C ATOM 0 H ALA A 8 -4.211 5.592 2.035 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.300 4.085 -0.267 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.480 4.154 0.798 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.332 3.189 1.756 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.755 4.839 2.271 1.00 0.13 H new ATOM 119 N ALA A 9 -5.869 6.348 -1.187 1.00 0.16 N ATOM 120 CA ALA A 9 -6.031 7.683 -1.750 1.00 0.19 C ATOM 121 C ALA A 9 -7.415 7.865 -2.346 1.00 0.19 C ATOM 122 O ALA A 9 -7.708 7.367 -3.429 1.00 0.20 O ATOM 123 CB ALA A 9 -4.963 7.939 -2.801 1.00 0.22 C ATOM 0 H ALA A 9 -5.873 5.595 -1.875 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.918 8.408 -0.944 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.093 8.939 -3.215 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.977 7.861 -2.344 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.053 7.201 -3.598 1.00 0.22 H new ATOM 129 N VAL A 10 -8.259 8.595 -1.649 1.00 0.22 N ATOM 130 CA VAL A 10 -9.629 8.787 -2.082 1.00 0.23 C ATOM 131 C VAL A 10 -9.754 9.938 -3.066 1.00 0.27 C ATOM 132 O VAL A 10 -9.360 11.072 -2.782 1.00 0.33 O ATOM 133 CB VAL A 10 -10.571 9.028 -0.887 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.980 9.350 -1.365 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.581 7.811 0.020 1.00 0.27 C ATOM 0 H VAL A 10 -8.021 9.067 -0.777 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.925 7.866 -2.585 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.203 9.885 -0.322 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.627 9.516 -0.504 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.959 10.249 -1.982 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.364 8.516 -1.952 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.250 7.990 0.862 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.928 6.943 -0.540 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.573 7.625 0.390 1.00 0.27 H new ATOM 145 N SER A 11 -10.286 9.624 -4.229 1.00 0.29 N ATOM 146 CA SER A 11 -10.655 10.619 -5.209 1.00 0.36 C ATOM 147 C SER A 11 -12.171 10.599 -5.371 1.00 0.45 C ATOM 148 O SER A 11 -12.844 9.786 -4.733 1.00 0.63 O ATOM 149 CB SER A 11 -9.960 10.338 -6.536 1.00 0.45 C ATOM 150 OG SER A 11 -8.562 10.173 -6.351 1.00 1.22 O ATOM 0 H SER A 11 -10.475 8.665 -4.521 1.00 0.29 H new ATOM 0 HA SER A 11 -10.340 11.608 -4.876 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.380 9.439 -6.988 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.145 11.159 -7.229 1.00 0.45 H new ATOM 0 HG SER A 11 -8.137 9.992 -7.215 1.00 1.22 H new ATOM 156 N GLY A 12 -12.705 11.486 -6.200 1.00 0.45 N ATOM 157 CA GLY A 12 -14.144 11.574 -6.375 1.00 0.54 C ATOM 158 C GLY A 12 -14.776 10.271 -6.836 1.00 0.49 C ATOM 159 O GLY A 12 -14.757 9.945 -8.023 1.00 0.61 O ATOM 0 H GLY A 12 -12.166 12.149 -6.757 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.600 11.877 -5.432 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.367 12.355 -7.102 1.00 0.54 H new ATOM 163 N GLY A 13 -15.320 9.517 -5.889 1.00 0.45 N ATOM 164 CA GLY A 13 -16.037 8.301 -6.217 1.00 0.48 C ATOM 165 C GLY A 13 -15.153 7.068 -6.256 1.00 0.41 C ATOM 166 O GLY A 13 -15.648 5.944 -6.224 1.00 0.45 O ATOM 0 H GLY A 13 -15.276 9.729 -4.892 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.829 8.147 -5.484 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.519 8.423 -7.187 1.00 0.48 H new ATOM 170 N HIS A 14 -13.845 7.257 -6.305 1.00 0.34 N ATOM 171 CA HIS A 14 -12.930 6.128 -6.426 1.00 0.31 C ATOM 172 C HIS A 14 -11.760 6.273 -5.471 1.00 0.30 C ATOM 173 O HIS A 14 -11.174 7.343 -5.354 1.00 0.43 O ATOM 174 CB HIS A 14 -12.416 5.988 -7.862 1.00 0.34 C ATOM 175 CG HIS A 14 -13.479 5.614 -8.851 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.815 4.309 -9.140 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.285 6.385 -9.617 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.784 4.295 -10.036 1.00 1.85 C ATOM 179 NE2 HIS A 14 -15.088 5.541 -10.342 1.00 1.82 N ATOM 0 H HIS A 14 -13.394 8.171 -6.264 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.485 5.227 -6.165 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.962 6.930 -8.169 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.630 5.233 -7.885 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.295 7.464 -9.651 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.249 3.412 -10.449 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.803 5.830 -11.009 1.00 1.82 H new ATOM 188 N VAL A 15 -11.426 5.191 -4.794 1.00 0.23 N ATOM 189 CA VAL A 15 -10.333 5.199 -3.844 1.00 0.20 C ATOM 190 C VAL A 15 -9.155 4.397 -4.396 1.00 0.18 C ATOM 191 O VAL A 15 -9.265 3.206 -4.663 1.00 0.17 O ATOM 192 CB VAL A 15 -10.790 4.672 -2.449 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.444 3.296 -2.539 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.632 4.645 -1.462 1.00 0.17 C ATOM 0 H VAL A 15 -11.899 4.292 -4.886 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.005 6.228 -3.698 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.542 5.371 -2.083 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.746 2.971 -1.543 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.321 3.351 -3.184 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.733 2.582 -2.954 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -9.983 4.273 -0.499 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.847 3.990 -1.840 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.235 5.653 -1.339 1.00 0.17 H new ATOM 204 N THR A 16 -8.036 5.071 -4.587 1.00 0.17 N ATOM 205 CA THR A 16 -6.840 4.451 -5.126 1.00 0.16 C ATOM 206 C THR A 16 -5.936 4.026 -3.984 1.00 0.14 C ATOM 207 O THR A 16 -5.442 4.856 -3.234 1.00 0.15 O ATOM 208 CB THR A 16 -6.074 5.434 -6.034 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.875 5.788 -7.166 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.751 4.840 -6.491 1.00 0.19 C ATOM 0 H THR A 16 -7.931 6.063 -4.373 1.00 0.17 H new ATOM 0 HA THR A 16 -7.136 3.584 -5.717 1.00 0.16 H new ATOM 0 HB THR A 16 -5.860 6.333 -5.456 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.379 6.414 -7.735 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.232 5.555 -7.130 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.133 4.616 -5.621 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.938 3.923 -7.050 1.00 0.19 H new ATOM 218 N LEU A 17 -5.699 2.745 -3.858 1.00 0.12 N ATOM 219 CA LEU A 17 -5.003 2.236 -2.702 1.00 0.10 C ATOM 220 C LEU A 17 -3.626 1.716 -3.076 1.00 0.13 C ATOM 221 O LEU A 17 -3.470 1.038 -4.090 1.00 0.17 O ATOM 222 CB LEU A 17 -5.835 1.155 -2.056 1.00 0.11 C ATOM 223 CG LEU A 17 -5.779 1.147 -0.541 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.162 0.923 0.022 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.801 0.099 -0.049 1.00 0.11 C ATOM 0 H LEU A 17 -5.976 2.037 -4.538 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.857 3.048 -1.989 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.872 1.275 -2.369 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.501 0.186 -2.426 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.422 2.116 -0.191 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.115 0.918 1.111 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.824 1.723 -0.309 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.547 -0.035 -0.329 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.775 0.109 1.041 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.117 -0.885 -0.396 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.807 0.318 -0.438 1.00 0.11 H new ATOM 237 N GLN A 18 -2.634 2.073 -2.266 1.00 0.15 N ATOM 238 CA GLN A 18 -1.249 1.690 -2.497 1.00 0.19 C ATOM 239 C GLN A 18 -0.426 1.903 -1.228 1.00 0.24 C ATOM 240 O GLN A 18 -0.702 2.818 -0.460 1.00 0.51 O ATOM 241 CB GLN A 18 -0.672 2.497 -3.660 1.00 0.32 C ATOM 242 CG GLN A 18 -1.132 3.947 -3.697 1.00 0.78 C ATOM 243 CD GLN A 18 -0.622 4.694 -4.913 1.00 1.03 C ATOM 244 OE1 GLN A 18 0.449 4.394 -5.439 1.00 1.58 O ATOM 245 NE2 GLN A 18 -1.385 5.675 -5.368 1.00 1.77 N ATOM 0 H GLN A 18 -2.771 2.638 -1.428 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.209 0.632 -2.757 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.416 2.473 -3.600 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.950 2.014 -4.597 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.222 3.978 -3.688 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.791 4.455 -2.795 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -2.267 5.893 -4.904 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -1.091 6.213 -6.183 1.00 1.77 H new ATOM 254 N GLY A 19 0.582 1.068 -1.012 1.00 0.17 N ATOM 255 CA GLY A 19 1.374 1.157 0.208 1.00 0.18 C ATOM 256 C GLY A 19 2.645 1.973 0.020 1.00 0.18 C ATOM 257 O GLY A 19 3.398 1.736 -0.921 1.00 0.19 O ATOM 0 H GLY A 19 0.868 0.331 -1.656 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.771 1.607 0.997 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.637 0.153 0.541 1.00 0.18 H new ATOM 261 N VAL A 20 2.889 2.932 0.911 1.00 0.17 N ATOM 262 CA VAL A 20 4.054 3.808 0.799 1.00 0.18 C ATOM 263 C VAL A 20 5.304 3.200 1.415 1.00 0.21 C ATOM 264 O VAL A 20 5.452 3.086 2.624 1.00 0.45 O ATOM 265 CB VAL A 20 3.782 5.189 1.423 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.064 5.935 1.746 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.924 6.025 0.494 1.00 0.20 C ATOM 0 H VAL A 20 2.296 3.122 1.719 1.00 0.17 H new ATOM 0 HA VAL A 20 4.236 3.931 -0.269 1.00 0.18 H new ATOM 0 HB VAL A 20 3.252 5.019 2.360 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.821 6.903 2.184 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.654 5.354 2.455 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.638 6.084 0.832 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.739 6.999 0.947 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.441 6.159 -0.456 1.00 0.20 H new ATOM 0 HG23 VAL A 20 1.974 5.519 0.322 1.00 0.20 H new ATOM 277 N ILE A 21 6.205 2.840 0.547 1.00 0.13 N ATOM 278 CA ILE A 21 7.504 2.336 0.917 1.00 0.11 C ATOM 279 C ILE A 21 8.504 3.472 1.012 1.00 0.13 C ATOM 280 O ILE A 21 8.904 4.047 0.009 1.00 0.14 O ATOM 281 CB ILE A 21 7.978 1.304 -0.121 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.433 -0.060 0.231 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.495 1.242 -0.241 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.561 -1.012 -0.910 1.00 0.10 C ATOM 0 H ILE A 21 6.058 2.888 -0.461 1.00 0.13 H new ATOM 0 HA ILE A 21 7.429 1.855 1.892 1.00 0.11 H new ATOM 0 HB ILE A 21 7.595 1.623 -1.090 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.967 -0.454 1.096 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.385 0.029 0.516 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.771 0.497 -0.988 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.876 2.217 -0.543 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.925 0.967 0.722 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.159 -1.983 -0.621 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.006 -0.630 -1.767 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.612 -1.120 -1.178 1.00 0.10 H new ATOM 296 N THR A 22 8.882 3.834 2.210 1.00 0.13 N ATOM 297 CA THR A 22 9.992 4.737 2.360 1.00 0.14 C ATOM 298 C THR A 22 11.254 3.917 2.312 1.00 0.14 C ATOM 299 O THR A 22 11.354 2.902 2.971 1.00 0.18 O ATOM 300 CB THR A 22 9.946 5.511 3.674 1.00 0.16 C ATOM 301 OG1 THR A 22 8.605 5.947 3.930 1.00 0.20 O ATOM 302 CG2 THR A 22 10.875 6.709 3.599 1.00 0.17 C ATOM 0 H THR A 22 8.448 3.525 3.080 1.00 0.13 H new ATOM 0 HA THR A 22 9.952 5.473 1.557 1.00 0.14 H new ATOM 0 HB THR A 22 10.272 4.861 4.486 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.578 6.442 4.775 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.838 7.258 4.540 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.894 6.368 3.418 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.561 7.363 2.785 1.00 0.17 H new ATOM 310 N ALA A 23 12.205 4.320 1.531 1.00 0.12 N ATOM 311 CA ALA A 23 13.398 3.532 1.401 1.00 0.12 C ATOM 312 C ALA A 23 14.589 4.361 1.773 1.00 0.14 C ATOM 313 O ALA A 23 14.806 5.403 1.198 1.00 0.16 O ATOM 314 CB ALA A 23 13.510 3.022 -0.011 1.00 0.11 C ATOM 0 H ALA A 23 12.185 5.177 0.979 1.00 0.12 H new ATOM 0 HA ALA A 23 13.355 2.675 2.073 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.416 2.424 -0.111 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.641 2.407 -0.246 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.555 3.865 -0.700 1.00 0.11 H new ATOM 320 N VAL A 24 15.355 3.910 2.743 1.00 0.16 N ATOM 321 CA VAL A 24 16.442 4.719 3.270 1.00 0.18 C ATOM 322 C VAL A 24 17.602 4.846 2.279 1.00 0.20 C ATOM 323 O VAL A 24 18.505 5.664 2.467 1.00 0.25 O ATOM 324 CB VAL A 24 16.950 4.163 4.613 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.070 5.028 5.163 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.803 4.074 5.599 1.00 0.23 C ATOM 0 H VAL A 24 15.250 2.995 3.182 1.00 0.16 H new ATOM 0 HA VAL A 24 16.036 5.717 3.434 1.00 0.18 H new ATOM 0 HB VAL A 24 17.351 3.162 4.451 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.414 4.617 6.112 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.898 5.046 4.454 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.703 6.043 5.318 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.168 3.680 6.547 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.381 5.067 5.757 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.033 3.411 5.203 1.00 0.23 H new ATOM 336 N ARG A 25 17.585 4.061 1.214 1.00 0.21 N ATOM 337 CA ARG A 25 18.626 4.164 0.207 1.00 0.24 C ATOM 338 C ARG A 25 18.042 4.246 -1.197 1.00 0.23 C ATOM 339 O ARG A 25 17.052 3.583 -1.507 1.00 0.26 O ATOM 340 CB ARG A 25 19.593 3.001 0.326 1.00 0.33 C ATOM 341 CG ARG A 25 20.471 3.107 1.549 1.00 0.40 C ATOM 342 CD ARG A 25 21.476 4.224 1.380 1.00 0.73 C ATOM 343 NE ARG A 25 22.434 4.293 2.480 1.00 0.80 N ATOM 344 CZ ARG A 25 23.304 5.290 2.635 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.314 6.301 1.773 1.00 2.18 N ATOM 346 NH2 ARG A 25 24.163 5.282 3.648 1.00 1.42 N ATOM 0 H ARG A 25 16.873 3.356 1.026 1.00 0.21 H new ATOM 0 HA ARG A 25 19.173 5.090 0.384 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.032 2.067 0.365 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.219 2.960 -0.565 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.857 3.292 2.431 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.991 2.163 1.715 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.015 4.083 0.443 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.947 5.174 1.304 1.00 0.73 H new ATOM 0 HE ARG A 25 22.437 3.538 3.166 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.656 6.313 0.994 1.00 2.18 H new ATOM 0 HH12 ARG A 25 23.980 7.065 1.891 1.00 2.18 H new ATOM 0 HH21 ARG A 25 24.159 4.509 4.314 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.826 6.049 3.760 1.00 1.42 H new ATOM 360 N ASP A 26 18.650 5.084 -2.036 1.00 0.23 N ATOM 361 CA ASP A 26 18.174 5.288 -3.395 1.00 0.25 C ATOM 362 C ASP A 26 18.724 4.206 -4.312 1.00 0.24 C ATOM 363 O ASP A 26 19.916 3.898 -4.292 1.00 0.32 O ATOM 364 CB ASP A 26 18.551 6.680 -3.921 1.00 0.31 C ATOM 365 CG ASP A 26 20.039 6.866 -4.130 1.00 0.78 C ATOM 366 OD1 ASP A 26 20.753 7.111 -3.137 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.496 6.786 -5.289 1.00 1.54 O ATOM 0 H ASP A 26 19.475 5.632 -1.793 1.00 0.23 H new ATOM 0 HA ASP A 26 17.086 5.224 -3.382 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.035 6.854 -4.865 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.194 7.434 -3.219 1.00 0.31 H new ATOM 372 N GLY A 27 17.843 3.632 -5.100 1.00 0.24 N ATOM 373 CA GLY A 27 18.199 2.536 -5.967 1.00 0.26 C ATOM 374 C GLY A 27 16.961 1.796 -6.406 1.00 0.21 C ATOM 375 O GLY A 27 15.970 2.422 -6.784 1.00 0.23 O ATOM 0 H GLY A 27 16.864 3.912 -5.157 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.735 2.912 -6.838 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.873 1.855 -5.447 1.00 0.26 H new ATOM 379 N ALA A 28 16.994 0.480 -6.345 1.00 0.19 N ATOM 380 CA ALA A 28 15.830 -0.324 -6.672 1.00 0.18 C ATOM 381 C ALA A 28 15.778 -1.563 -5.795 1.00 0.24 C ATOM 382 O ALA A 28 16.804 -2.185 -5.522 1.00 0.45 O ATOM 383 CB ALA A 28 15.833 -0.708 -8.144 1.00 0.21 C ATOM 0 H ALA A 28 17.816 -0.058 -6.071 1.00 0.19 H new ATOM 0 HA ALA A 28 14.938 0.272 -6.481 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.951 -1.310 -8.365 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.819 0.194 -8.755 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.731 -1.284 -8.368 1.00 0.21 H new ATOM 389 N GLY A 29 14.583 -1.908 -5.354 1.00 0.15 N ATOM 390 CA GLY A 29 14.407 -3.055 -4.504 1.00 0.19 C ATOM 391 C GLY A 29 13.163 -3.815 -4.880 1.00 0.17 C ATOM 392 O GLY A 29 12.505 -3.480 -5.864 1.00 0.21 O ATOM 0 H GLY A 29 13.723 -1.406 -5.574 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.276 -3.709 -4.584 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.343 -2.736 -3.464 1.00 0.19 H new ATOM 396 N SER A 30 12.814 -4.807 -4.090 1.00 0.15 N ATOM 397 CA SER A 30 11.669 -5.639 -4.402 1.00 0.15 C ATOM 398 C SER A 30 10.724 -5.722 -3.216 1.00 0.13 C ATOM 399 O SER A 30 11.153 -5.851 -2.067 1.00 0.14 O ATOM 400 CB SER A 30 12.123 -7.032 -4.829 1.00 0.20 C ATOM 401 OG SER A 30 13.026 -7.592 -3.885 1.00 0.23 O ATOM 0 H SER A 30 13.303 -5.058 -3.231 1.00 0.15 H new ATOM 0 HA SER A 30 11.130 -5.183 -5.232 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.255 -7.683 -4.936 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.603 -6.977 -5.806 1.00 0.20 H new ATOM 0 HG SER A 30 12.531 -7.880 -3.090 1.00 0.23 H new ATOM 407 N TYR A 31 9.440 -5.638 -3.509 1.00 0.13 N ATOM 408 CA TYR A 31 8.407 -5.615 -2.492 1.00 0.11 C ATOM 409 C TYR A 31 7.070 -6.078 -3.073 1.00 0.13 C ATOM 410 O TYR A 31 6.871 -6.063 -4.290 1.00 0.18 O ATOM 411 CB TYR A 31 8.303 -4.217 -1.884 1.00 0.10 C ATOM 412 CG TYR A 31 8.916 -3.110 -2.719 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.286 -2.677 -3.872 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.110 -2.476 -2.337 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.810 -1.657 -4.630 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.635 -1.443 -3.094 1.00 0.09 C ATOM 417 CZ TYR A 31 9.981 -1.040 -4.238 1.00 0.11 C ATOM 418 OH TYR A 31 10.491 -0.009 -4.988 1.00 0.13 O ATOM 0 H TYR A 31 9.083 -5.584 -4.463 1.00 0.13 H new ATOM 0 HA TYR A 31 8.675 -6.310 -1.696 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.251 -3.986 -1.718 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.786 -4.225 -0.907 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.366 -3.149 -4.182 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.624 -2.798 -1.443 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.306 -1.339 -5.531 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.550 -0.957 -2.790 1.00 0.09 H new ATOM 0 HH TYR A 31 11.466 -0.091 -5.036 1.00 0.13 H new ATOM 428 N LYS A 32 6.174 -6.499 -2.195 1.00 0.13 N ATOM 429 CA LYS A 32 4.900 -7.094 -2.588 1.00 0.14 C ATOM 430 C LYS A 32 3.732 -6.414 -1.886 1.00 0.14 C ATOM 431 O LYS A 32 3.560 -6.560 -0.675 1.00 0.13 O ATOM 432 CB LYS A 32 4.893 -8.583 -2.228 1.00 0.16 C ATOM 433 CG LYS A 32 5.712 -8.912 -1.001 1.00 0.17 C ATOM 434 CD LYS A 32 7.143 -9.287 -1.354 1.00 0.25 C ATOM 435 CE LYS A 32 7.212 -10.632 -2.051 1.00 0.40 C ATOM 436 NZ LYS A 32 8.613 -11.016 -2.354 1.00 1.26 N ATOM 0 H LYS A 32 6.307 -6.439 -1.186 1.00 0.13 H new ATOM 0 HA LYS A 32 4.787 -6.962 -3.664 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.864 -8.904 -2.065 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.275 -9.155 -3.074 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.718 -8.054 -0.328 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.244 -9.736 -0.463 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.572 -8.520 -1.999 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.747 -9.315 -0.447 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.753 -11.394 -1.421 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.636 -10.594 -2.976 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.672 -12.047 -2.475 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.920 -10.547 -3.230 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.230 -10.724 -1.570 1.00 1.26 H new ATOM 450 N LEU A 33 2.915 -5.699 -2.638 1.00 0.17 N ATOM 451 CA LEU A 33 1.754 -5.043 -2.064 1.00 0.17 C ATOM 452 C LEU A 33 0.491 -5.807 -2.427 1.00 0.19 C ATOM 453 O LEU A 33 0.229 -6.097 -3.594 1.00 0.27 O ATOM 454 CB LEU A 33 1.664 -3.574 -2.515 1.00 0.22 C ATOM 455 CG LEU A 33 0.489 -2.748 -1.945 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.776 -2.982 -2.745 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.239 -3.072 -0.473 1.00 0.49 C ATOM 0 H LEU A 33 3.032 -5.558 -3.641 1.00 0.17 H new ATOM 0 HA LEU A 33 1.859 -5.043 -0.979 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.595 -3.076 -2.243 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.598 -3.555 -3.603 1.00 0.22 H new ATOM 0 HG LEU A 33 0.767 -1.697 -2.023 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.588 -2.389 -2.324 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.611 -2.687 -3.781 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.040 -4.039 -2.707 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.594 -2.473 -0.105 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -0.001 -4.130 -0.369 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.134 -2.844 0.107 1.00 0.49 H new ATOM 469 N ALA A 34 -0.271 -6.147 -1.412 1.00 0.16 N ATOM 470 CA ALA A 34 -1.562 -6.778 -1.605 1.00 0.19 C ATOM 471 C ALA A 34 -2.651 -5.952 -0.933 1.00 0.18 C ATOM 472 O ALA A 34 -2.448 -5.420 0.155 1.00 0.25 O ATOM 473 CB ALA A 34 -1.544 -8.197 -1.062 1.00 0.25 C ATOM 0 H ALA A 34 -0.018 -5.996 -0.435 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.777 -6.828 -2.672 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.520 -8.657 -1.214 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.784 -8.777 -1.585 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.315 -8.176 0.003 1.00 0.25 H new ATOM 479 N VAL A 35 -3.794 -5.830 -1.585 1.00 0.16 N ATOM 480 CA VAL A 35 -4.907 -5.073 -1.033 1.00 0.14 C ATOM 481 C VAL A 35 -6.089 -5.997 -0.781 1.00 0.16 C ATOM 482 O VAL A 35 -6.330 -6.934 -1.539 1.00 0.23 O ATOM 483 CB VAL A 35 -5.341 -3.911 -1.962 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.410 -3.058 -1.299 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.149 -3.053 -2.347 1.00 0.21 C ATOM 0 H VAL A 35 -3.977 -6.245 -2.498 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.570 -4.636 -0.093 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.760 -4.347 -2.869 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.698 -2.249 -1.970 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.282 -3.674 -1.078 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -6.018 -2.638 -0.373 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.478 -2.244 -2.999 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.697 -2.633 -1.448 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.414 -3.665 -2.871 1.00 0.21 H new ATOM 495 N ASP A 36 -6.810 -5.738 0.289 1.00 0.19 N ATOM 496 CA ASP A 36 -7.944 -6.557 0.665 1.00 0.24 C ATOM 497 C ASP A 36 -9.200 -5.704 0.695 1.00 0.25 C ATOM 498 O ASP A 36 -9.320 -4.790 1.512 1.00 0.31 O ATOM 499 CB ASP A 36 -7.706 -7.174 2.038 1.00 0.33 C ATOM 500 CG ASP A 36 -8.659 -8.305 2.343 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.751 -8.046 2.889 1.00 1.67 O ATOM 502 OD2 ASP A 36 -8.308 -9.467 2.051 1.00 1.52 O ATOM 0 H ASP A 36 -6.628 -4.958 0.920 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.068 -7.356 -0.066 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.682 -7.543 2.093 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.809 -6.402 2.801 1.00 0.33 H new ATOM 507 N LYS A 37 -10.128 -5.991 -0.195 1.00 0.28 N ATOM 508 CA LYS A 37 -11.340 -5.214 -0.290 1.00 0.33 C ATOM 509 C LYS A 37 -12.542 -6.043 0.129 1.00 0.46 C ATOM 510 O LYS A 37 -12.806 -7.102 -0.429 1.00 0.63 O ATOM 511 CB LYS A 37 -11.488 -4.663 -1.705 1.00 0.42 C ATOM 512 CG LYS A 37 -12.920 -4.585 -2.192 1.00 0.95 C ATOM 513 CD LYS A 37 -13.025 -3.856 -3.527 1.00 0.77 C ATOM 514 CE LYS A 37 -12.565 -4.710 -4.700 1.00 1.13 C ATOM 515 NZ LYS A 37 -13.622 -5.652 -5.157 1.00 1.34 N ATOM 0 H LYS A 37 -10.063 -6.759 -0.863 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.284 -4.368 0.395 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -11.048 -3.667 -1.743 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.917 -5.290 -2.389 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.324 -5.592 -2.295 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.529 -4.071 -1.448 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.059 -3.550 -3.689 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.426 -2.946 -3.488 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -12.275 -4.062 -5.527 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -11.678 -5.274 -4.411 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -13.265 -6.213 -5.957 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.881 -6.288 -4.376 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -14.460 -5.114 -5.458 1.00 1.34 H new ATOM 622 N ILE A 46 -6.567 -8.497 -3.731 1.00 0.38 N ATOM 623 CA ILE A 46 -5.637 -7.858 -4.656 1.00 0.33 C ATOM 624 C ILE A 46 -4.207 -8.239 -4.287 1.00 0.30 C ATOM 625 O ILE A 46 -3.850 -8.219 -3.112 1.00 0.34 O ATOM 626 CB ILE A 46 -5.774 -6.323 -4.639 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.135 -5.895 -5.182 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.665 -5.688 -5.456 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.259 -5.947 -4.166 1.00 0.40 C ATOM 0 HA ILE A 46 -5.876 -8.207 -5.660 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.692 -5.984 -3.606 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.056 -4.878 -5.566 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.394 -6.535 -6.025 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.773 -4.604 -5.436 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.699 -5.964 -5.034 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.725 -6.039 -6.486 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.189 -5.627 -4.636 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.370 -6.967 -3.798 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.027 -5.284 -3.332 1.00 0.40 H new ATOM 641 N LYS A 47 -3.395 -8.603 -5.272 1.00 0.31 N ATOM 642 CA LYS A 47 -2.014 -8.984 -5.007 1.00 0.38 C ATOM 643 C LYS A 47 -1.098 -8.561 -6.153 1.00 0.41 C ATOM 644 O LYS A 47 -1.302 -8.964 -7.297 1.00 0.51 O ATOM 645 CB LYS A 47 -1.924 -10.494 -4.802 1.00 0.51 C ATOM 646 CG LYS A 47 -1.128 -10.919 -3.576 1.00 0.91 C ATOM 647 CD LYS A 47 0.324 -10.473 -3.650 1.00 1.56 C ATOM 648 CE LYS A 47 1.174 -11.177 -2.605 1.00 2.17 C ATOM 649 NZ LYS A 47 0.682 -10.942 -1.222 1.00 2.74 N ATOM 0 H LYS A 47 -3.666 -8.642 -6.254 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.686 -8.473 -4.102 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.933 -10.898 -4.722 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -1.471 -10.942 -5.687 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -1.590 -10.500 -2.682 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.168 -12.004 -3.477 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.720 -10.681 -4.644 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.383 -9.395 -3.503 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.181 -12.248 -2.808 1.00 2.17 H new ATOM 0 HE3 LYS A 47 2.204 -10.830 -2.685 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 1.207 -11.547 -0.559 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 0.825 -9.944 -0.967 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -0.331 -11.170 -1.171 1.00 2.74 H new ATOM 663 N GLN A 48 -0.105 -7.733 -5.847 1.00 0.40 N ATOM 664 CA GLN A 48 0.921 -7.361 -6.818 1.00 0.47 C ATOM 665 C GLN A 48 2.300 -7.418 -6.176 1.00 0.50 C ATOM 666 O GLN A 48 2.585 -6.687 -5.228 1.00 0.78 O ATOM 667 CB GLN A 48 0.678 -5.956 -7.380 1.00 0.52 C ATOM 668 CG GLN A 48 -0.550 -5.847 -8.267 1.00 0.55 C ATOM 669 CD GLN A 48 -0.652 -4.496 -8.947 1.00 0.82 C ATOM 670 OE1 GLN A 48 0.356 -3.851 -9.237 1.00 1.63 O ATOM 671 NE2 GLN A 48 -1.870 -4.060 -9.212 1.00 1.37 N ATOM 0 H GLN A 48 0.012 -7.304 -4.929 1.00 0.40 H new ATOM 0 HA GLN A 48 0.870 -8.075 -7.640 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.577 -5.257 -6.550 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.554 -5.648 -7.951 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.519 -6.631 -9.024 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.444 -6.018 -7.668 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.680 -4.624 -8.956 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.000 -3.159 -9.673 1.00 1.37 H new ATOM 680 N ALA A 49 3.151 -8.290 -6.686 1.00 0.32 N ATOM 681 CA ALA A 49 4.497 -8.437 -6.158 1.00 0.31 C ATOM 682 C ALA A 49 5.527 -8.295 -7.264 1.00 0.31 C ATOM 683 O ALA A 49 5.341 -8.812 -8.368 1.00 0.39 O ATOM 684 CB ALA A 49 4.651 -9.775 -5.456 1.00 0.33 C ATOM 0 H ALA A 49 2.934 -8.909 -7.467 1.00 0.32 H new ATOM 0 HA ALA A 49 4.666 -7.644 -5.430 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.665 -9.867 -5.067 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.940 -9.838 -4.633 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.459 -10.581 -6.164 1.00 0.33 H new ATOM 690 N GLY A 50 6.605 -7.590 -6.968 1.00 0.25 N ATOM 691 CA GLY A 50 7.648 -7.384 -7.947 1.00 0.26 C ATOM 692 C GLY A 50 8.750 -6.507 -7.411 1.00 0.23 C ATOM 693 O GLY A 50 9.098 -6.591 -6.230 1.00 0.25 O ATOM 0 H GLY A 50 6.777 -7.154 -6.062 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.062 -8.347 -8.246 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.223 -6.929 -8.841 1.00 0.26 H new ATOM 697 N ALA A 51 9.285 -5.656 -8.265 1.00 0.23 N ATOM 698 CA ALA A 51 10.356 -4.766 -7.883 1.00 0.21 C ATOM 699 C ALA A 51 10.136 -3.396 -8.503 1.00 0.23 C ATOM 700 O ALA A 51 9.499 -3.276 -9.550 1.00 0.38 O ATOM 701 CB ALA A 51 11.693 -5.342 -8.307 1.00 0.23 C ATOM 0 H ALA A 51 8.989 -5.565 -9.237 1.00 0.23 H new ATOM 0 HA ALA A 51 10.361 -4.658 -6.798 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.492 -4.661 -8.013 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.843 -6.308 -7.824 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.707 -5.472 -9.389 1.00 0.23 H new ATOM 707 N PHE A 52 10.653 -2.373 -7.853 1.00 0.15 N ATOM 708 CA PHE A 52 10.510 -1.005 -8.324 1.00 0.16 C ATOM 709 C PHE A 52 11.646 -0.154 -7.755 1.00 0.14 C ATOM 710 O PHE A 52 12.405 -0.615 -6.896 1.00 0.16 O ATOM 711 CB PHE A 52 9.129 -0.456 -7.928 1.00 0.17 C ATOM 712 CG PHE A 52 8.831 0.931 -8.426 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.758 1.202 -9.784 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.630 1.967 -7.529 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.489 2.481 -10.235 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.362 3.247 -7.973 1.00 0.18 C ATOM 717 CZ PHE A 52 8.291 3.505 -9.328 1.00 0.23 C ATOM 0 H PHE A 52 11.183 -2.463 -6.986 1.00 0.15 H new ATOM 0 HA PHE A 52 10.575 -0.974 -9.412 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.363 -1.134 -8.305 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.051 -0.460 -6.841 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.913 0.406 -10.497 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.684 1.771 -6.468 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.434 2.680 -11.295 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.208 4.045 -7.262 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.081 4.505 -9.678 1.00 0.23 H new ATOM 727 N THR A 53 11.766 1.073 -8.229 1.00 0.15 N ATOM 728 CA THR A 53 12.843 1.949 -7.816 1.00 0.16 C ATOM 729 C THR A 53 12.451 2.744 -6.587 1.00 0.16 C ATOM 730 O THR A 53 11.326 3.230 -6.485 1.00 0.27 O ATOM 731 CB THR A 53 13.238 2.917 -8.938 1.00 0.21 C ATOM 732 OG1 THR A 53 12.227 2.934 -9.958 1.00 0.43 O ATOM 733 CG2 THR A 53 14.580 2.531 -9.534 1.00 0.40 C ATOM 0 H THR A 53 11.124 1.486 -8.906 1.00 0.15 H new ATOM 0 HA THR A 53 13.698 1.316 -7.580 1.00 0.16 H new ATOM 0 HB THR A 53 13.327 3.917 -8.513 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.489 3.557 -10.668 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.840 3.231 -10.328 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.345 2.561 -8.758 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.519 1.523 -9.945 1.00 0.40 H new ATOM 741 N ALA A 54 13.379 2.883 -5.661 1.00 0.13 N ATOM 742 CA ALA A 54 13.106 3.589 -4.431 1.00 0.13 C ATOM 743 C ALA A 54 14.218 4.579 -4.118 1.00 0.14 C ATOM 744 O ALA A 54 15.391 4.288 -4.325 1.00 0.23 O ATOM 745 CB ALA A 54 12.911 2.602 -3.288 1.00 0.15 C ATOM 0 H ALA A 54 14.327 2.516 -5.739 1.00 0.13 H new ATOM 0 HA ALA A 54 12.183 4.156 -4.553 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.706 3.148 -2.367 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.072 1.944 -3.514 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.815 2.007 -3.163 1.00 0.15 H new ATOM 751 N ILE A 55 13.840 5.757 -3.646 1.00 0.17 N ATOM 752 CA ILE A 55 14.801 6.795 -3.300 1.00 0.18 C ATOM 753 C ILE A 55 15.010 6.859 -1.799 1.00 0.16 C ATOM 754 O ILE A 55 14.067 6.695 -1.025 1.00 0.14 O ATOM 755 CB ILE A 55 14.352 8.165 -3.810 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.400 8.179 -5.329 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.219 9.271 -3.232 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.394 9.162 -5.899 1.00 0.33 C ATOM 0 H ILE A 55 12.867 6.020 -3.493 1.00 0.17 H new ATOM 0 HA ILE A 55 15.743 6.535 -3.783 1.00 0.18 H new ATOM 0 HB ILE A 55 13.328 8.347 -3.484 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.648 7.179 -5.684 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.408 8.417 -5.712 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.879 10.235 -3.610 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.144 9.261 -2.145 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.256 9.111 -3.526 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.370 9.114 -6.988 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.136 10.170 -5.575 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.395 8.913 -5.547 1.00 0.33 H new ATOM 770 N ALA A 56 16.254 7.100 -1.411 1.00 0.17 N ATOM 771 CA ALA A 56 16.633 7.184 -0.006 1.00 0.18 C ATOM 772 C ALA A 56 15.866 8.266 0.733 1.00 0.17 C ATOM 773 O ALA A 56 15.890 9.435 0.345 1.00 0.20 O ATOM 774 CB ALA A 56 18.118 7.424 0.154 1.00 0.22 C ATOM 0 H ALA A 56 17.029 7.243 -2.059 1.00 0.17 H new ATOM 0 HA ALA A 56 16.377 6.220 0.434 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.365 7.481 1.214 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.671 6.603 -0.304 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.390 8.361 -0.333 1.00 0.22 H new ATOM 780 N GLU A 57 15.189 7.844 1.797 1.00 0.16 N ATOM 781 CA GLU A 57 14.427 8.730 2.657 1.00 0.18 C ATOM 782 C GLU A 57 13.311 9.397 1.861 1.00 0.19 C ATOM 783 O GLU A 57 12.848 10.489 2.185 1.00 0.28 O ATOM 784 CB GLU A 57 15.362 9.741 3.313 1.00 0.23 C ATOM 785 CG GLU A 57 16.476 9.069 4.108 1.00 0.27 C ATOM 786 CD GLU A 57 17.543 10.036 4.572 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.375 10.644 5.649 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.560 10.187 3.866 1.00 1.33 O ATOM 0 H GLU A 57 15.157 6.866 2.085 1.00 0.16 H new ATOM 0 HA GLU A 57 13.953 8.159 3.456 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.800 10.378 2.545 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.787 10.389 3.974 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.044 8.570 4.976 1.00 0.27 H new ATOM 0 HG3 GLU A 57 16.937 8.296 3.493 1.00 0.27 H new ATOM 795 N GLN A 58 12.895 8.698 0.815 1.00 0.16 N ATOM 796 CA GLN A 58 11.808 9.107 -0.030 1.00 0.18 C ATOM 797 C GLN A 58 10.695 8.101 0.069 1.00 0.17 C ATOM 798 O GLN A 58 10.922 6.911 0.293 1.00 0.19 O ATOM 799 CB GLN A 58 12.251 9.214 -1.468 1.00 0.20 C ATOM 800 CG GLN A 58 12.359 10.639 -1.969 1.00 0.28 C ATOM 801 CD GLN A 58 11.447 11.604 -1.243 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.299 11.802 -1.645 1.00 1.38 O ATOM 803 NE2 GLN A 58 11.946 12.218 -0.186 1.00 1.48 N ATOM 0 H GLN A 58 13.319 7.814 0.533 1.00 0.16 H new ATOM 0 HA GLN A 58 11.464 10.087 0.302 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.219 8.726 -1.578 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.547 8.670 -2.097 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.390 10.976 -1.863 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.125 10.660 -3.033 1.00 0.28 H new ATOM 0 HE21 GLN A 58 12.902 12.024 0.112 1.00 1.48 H new ATOM 0 HE22 GLN A 58 11.376 12.886 0.332 1.00 1.48 H new ATOM 812 N ARG A 59 9.503 8.591 -0.093 1.00 0.16 N ATOM 813 CA ARG A 59 8.324 7.752 -0.064 1.00 0.17 C ATOM 814 C ARG A 59 8.048 7.187 -1.448 1.00 0.17 C ATOM 815 O ARG A 59 7.889 7.937 -2.412 1.00 0.22 O ATOM 816 CB ARG A 59 7.111 8.543 0.412 1.00 0.24 C ATOM 817 CG ARG A 59 6.878 8.516 1.915 1.00 0.30 C ATOM 818 CD ARG A 59 8.064 9.019 2.697 1.00 0.44 C ATOM 819 NE ARG A 59 7.796 9.037 4.133 1.00 1.37 N ATOM 820 CZ ARG A 59 8.569 9.646 5.028 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.625 10.344 4.631 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.277 9.569 6.320 1.00 2.72 N ATOM 0 H ARG A 59 9.311 9.581 -0.249 1.00 0.16 H new ATOM 0 HA ARG A 59 8.507 6.933 0.632 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.225 9.580 0.095 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.223 8.153 -0.086 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.006 9.124 2.154 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.650 7.496 2.225 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.928 8.385 2.496 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.321 10.024 2.362 1.00 0.44 H new ATOM 0 HE ARG A 59 6.964 8.552 4.470 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.846 10.415 3.638 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.216 10.810 5.319 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.459 9.043 6.628 1.00 2.72 H new ATOM 0 HH22 ARG A 59 8.870 10.036 7.006 1.00 2.72 H new ATOM 836 N VAL A 60 8.008 5.873 -1.541 1.00 0.13 N ATOM 837 CA VAL A 60 7.710 5.193 -2.784 1.00 0.14 C ATOM 838 C VAL A 60 6.416 4.424 -2.633 1.00 0.13 C ATOM 839 O VAL A 60 6.365 3.422 -1.935 1.00 0.12 O ATOM 840 CB VAL A 60 8.861 4.233 -3.174 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.458 3.319 -4.325 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.084 5.045 -3.552 1.00 0.15 C ATOM 0 H VAL A 60 8.182 5.246 -0.755 1.00 0.13 H new ATOM 0 HA VAL A 60 7.605 5.933 -3.578 1.00 0.14 H new ATOM 0 HB VAL A 60 9.090 3.600 -2.317 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.289 2.658 -4.573 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.595 2.722 -4.030 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.201 3.922 -5.196 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.896 4.372 -3.827 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.845 5.690 -4.397 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.391 5.657 -2.704 1.00 0.15 H new ATOM 852 N THR A 61 5.372 4.872 -3.294 1.00 0.15 N ATOM 853 CA THR A 61 4.084 4.256 -3.093 1.00 0.15 C ATOM 854 C THR A 61 3.878 3.130 -4.083 1.00 0.16 C ATOM 855 O THR A 61 4.048 3.300 -5.292 1.00 0.19 O ATOM 856 CB THR A 61 2.937 5.267 -3.170 1.00 0.17 C ATOM 857 OG1 THR A 61 3.362 6.537 -2.651 1.00 0.19 O ATOM 858 CG2 THR A 61 1.761 4.754 -2.368 1.00 0.19 C ATOM 0 H THR A 61 5.389 5.644 -3.961 1.00 0.15 H new ATOM 0 HA THR A 61 4.074 3.845 -2.084 1.00 0.15 H new ATOM 0 HB THR A 61 2.641 5.394 -4.211 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.622 7.177 -2.706 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.943 5.472 -2.421 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.432 3.798 -2.776 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.060 4.621 -1.328 1.00 0.19 H new ATOM 866 N VAL A 62 3.522 1.975 -3.556 1.00 0.15 N ATOM 867 CA VAL A 62 3.578 0.755 -4.317 1.00 0.15 C ATOM 868 C VAL A 62 2.229 0.044 -4.410 1.00 0.15 C ATOM 869 O VAL A 62 1.496 -0.058 -3.426 1.00 0.16 O ATOM 870 CB VAL A 62 4.663 -0.176 -3.714 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.399 -1.651 -3.996 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.036 0.237 -4.229 1.00 0.16 C ATOM 0 H VAL A 62 3.190 1.862 -2.598 1.00 0.15 H new ATOM 0 HA VAL A 62 3.844 1.015 -5.341 1.00 0.15 H new ATOM 0 HB VAL A 62 4.629 -0.062 -2.631 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.190 -2.254 -3.550 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.439 -1.937 -3.567 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.379 -1.818 -5.073 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.796 -0.418 -3.804 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.056 0.158 -5.316 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.240 1.267 -3.936 1.00 0.16 H new ATOM 882 N GLY A 63 1.920 -0.430 -5.618 1.00 0.18 N ATOM 883 CA GLY A 63 0.712 -1.200 -5.851 1.00 0.21 C ATOM 884 C GLY A 63 -0.523 -0.337 -5.921 1.00 0.20 C ATOM 885 O GLY A 63 -1.424 -0.479 -5.102 1.00 0.28 O ATOM 0 H GLY A 63 2.496 -0.290 -6.448 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.815 -1.757 -6.782 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.593 -1.933 -5.053 1.00 0.21 H new ATOM 889 N ASN A 64 -0.571 0.552 -6.901 1.00 0.33 N ATOM 890 CA ASN A 64 -1.701 1.450 -7.047 1.00 0.40 C ATOM 891 C ASN A 64 -2.857 0.735 -7.724 1.00 0.37 C ATOM 892 O ASN A 64 -2.816 0.415 -8.912 1.00 0.52 O ATOM 893 CB ASN A 64 -1.298 2.723 -7.814 1.00 0.67 C ATOM 894 CG ASN A 64 -0.671 2.449 -9.173 1.00 1.31 C ATOM 895 OD1 ASN A 64 0.526 2.178 -9.271 1.00 2.17 O ATOM 896 ND2 ASN A 64 -1.459 2.564 -10.228 1.00 1.98 N ATOM 0 H ASN A 64 0.158 0.669 -7.604 1.00 0.33 H new ATOM 0 HA ASN A 64 -2.030 1.760 -6.055 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.180 3.348 -7.951 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.594 3.293 -7.208 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -1.080 2.427 -11.165 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -2.446 2.790 -10.105 1.00 1.98 H new ATOM 903 N VAL A 65 -3.875 0.456 -6.938 1.00 0.25 N ATOM 904 CA VAL A 65 -5.086 -0.162 -7.440 1.00 0.33 C ATOM 905 C VAL A 65 -6.285 0.682 -7.031 1.00 0.27 C ATOM 906 O VAL A 65 -6.331 1.200 -5.916 1.00 0.35 O ATOM 907 CB VAL A 65 -5.242 -1.620 -6.931 1.00 0.43 C ATOM 908 CG1 VAL A 65 -3.982 -2.424 -7.231 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.560 -1.669 -5.443 1.00 1.10 C ATOM 0 H VAL A 65 -3.888 0.650 -5.937 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.025 -0.210 -8.527 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.084 -2.065 -7.462 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.106 -3.444 -6.868 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -3.808 -2.440 -8.307 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.129 -1.963 -6.733 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.661 -2.707 -5.127 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.753 -1.196 -4.883 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.493 -1.139 -5.253 1.00 1.10 H new ATOM 919 N VAL A 66 -7.235 0.860 -7.930 1.00 0.25 N ATOM 920 CA VAL A 66 -8.350 1.754 -7.661 1.00 0.23 C ATOM 921 C VAL A 66 -9.627 0.986 -7.361 1.00 0.24 C ATOM 922 O VAL A 66 -10.080 0.161 -8.154 1.00 0.27 O ATOM 923 CB VAL A 66 -8.595 2.723 -8.831 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.695 3.717 -8.488 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.313 3.453 -9.192 1.00 0.29 C ATOM 0 H VAL A 66 -7.260 0.405 -8.842 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.076 2.332 -6.779 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.919 2.141 -9.694 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.851 4.392 -9.330 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.619 3.179 -8.278 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.404 4.293 -7.610 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.503 4.134 -10.021 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.962 4.020 -8.330 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.552 2.729 -9.485 1.00 0.29 H new ATOM 935 N LEU A 67 -10.192 1.266 -6.203 1.00 0.22 N ATOM 936 CA LEU A 67 -11.448 0.676 -5.779 1.00 0.23 C ATOM 937 C LEU A 67 -12.541 1.724 -5.918 1.00 0.24 C ATOM 938 O LEU A 67 -12.246 2.917 -6.027 1.00 0.26 O ATOM 939 CB LEU A 67 -11.390 0.240 -4.309 1.00 0.21 C ATOM 940 CG LEU A 67 -10.189 -0.606 -3.855 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.964 -1.787 -4.787 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.921 0.231 -3.723 1.00 0.18 C ATOM 0 H LEU A 67 -9.790 1.913 -5.525 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.647 -0.199 -6.398 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.418 1.139 -3.693 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.297 -0.324 -4.092 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.428 -0.995 -2.865 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.108 -2.366 -4.440 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.852 -2.419 -4.794 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.771 -1.423 -5.796 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.097 -0.405 -3.400 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.678 0.678 -4.687 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.080 1.019 -2.987 1.00 0.18 H new ATOM 954 N ASP A 68 -13.795 1.304 -5.920 1.00 0.26 N ATOM 955 CA ASP A 68 -14.886 2.260 -5.826 1.00 0.28 C ATOM 956 C ASP A 68 -14.952 2.762 -4.388 1.00 0.28 C ATOM 957 O ASP A 68 -14.971 1.975 -3.446 1.00 0.30 O ATOM 958 CB ASP A 68 -16.225 1.648 -6.276 1.00 0.32 C ATOM 959 CG ASP A 68 -16.732 0.537 -5.376 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.180 -0.584 -5.433 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.712 0.768 -4.636 1.00 1.25 O ATOM 0 H ASP A 68 -14.080 0.327 -5.984 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.699 3.095 -6.501 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.976 2.437 -6.320 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.112 1.258 -7.288 1.00 0.32 H new ATOM 966 N TYR A 69 -14.951 4.069 -4.213 1.00 0.28 N ATOM 967 CA TYR A 69 -14.804 4.649 -2.885 1.00 0.27 C ATOM 968 C TYR A 69 -16.072 4.515 -2.057 1.00 0.27 C ATOM 969 O TYR A 69 -17.156 4.911 -2.489 1.00 0.30 O ATOM 970 CB TYR A 69 -14.402 6.118 -2.973 1.00 0.29 C ATOM 971 CG TYR A 69 -14.702 6.878 -1.708 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.094 6.527 -0.512 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.605 7.929 -1.708 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.388 7.206 0.660 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.897 8.613 -0.550 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.290 8.244 0.630 1.00 0.30 C ATOM 977 OH TYR A 69 -15.599 8.906 1.784 1.00 0.33 O ATOM 0 H TYR A 69 -15.049 4.749 -4.967 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.014 4.088 -2.385 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.336 6.187 -3.189 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.927 6.585 -3.806 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.383 5.715 -0.494 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.087 8.216 -2.631 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.913 6.923 1.588 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.598 9.434 -0.566 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.250 9.612 1.592 1.00 0.33 H new ATOM 987 N SER A 70 -15.928 3.934 -0.874 1.00 0.25 N ATOM 988 CA SER A 70 -16.996 3.937 0.109 1.00 0.27 C ATOM 989 C SER A 70 -16.390 4.060 1.502 1.00 0.29 C ATOM 990 O SER A 70 -15.531 3.266 1.881 1.00 0.28 O ATOM 991 CB SER A 70 -17.864 2.681 -0.022 1.00 0.30 C ATOM 992 OG SER A 70 -17.296 1.762 -0.944 1.00 0.99 O ATOM 0 H SER A 70 -15.079 3.454 -0.574 1.00 0.25 H new ATOM 0 HA SER A 70 -17.650 4.792 -0.065 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.970 2.205 0.953 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.865 2.959 -0.351 1.00 0.30 H new ATOM 0 HG SER A 70 -17.867 0.968 -1.009 1.00 0.99 H new ATOM 998 N SER A 71 -16.818 5.068 2.250 1.00 0.36 N ATOM 999 CA SER A 71 -16.267 5.323 3.573 1.00 0.42 C ATOM 1000 C SER A 71 -16.638 4.213 4.547 1.00 0.43 C ATOM 1001 O SER A 71 -15.969 4.014 5.559 1.00 0.50 O ATOM 1002 CB SER A 71 -16.743 6.672 4.092 1.00 0.50 C ATOM 1003 OG SER A 71 -18.152 6.795 4.001 1.00 0.54 O ATOM 0 H SER A 71 -17.546 5.723 1.962 1.00 0.36 H new ATOM 0 HA SER A 71 -15.180 5.344 3.489 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.432 6.794 5.130 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.269 7.471 3.521 1.00 0.50 H new ATOM 0 HG SER A 71 -18.427 7.671 4.343 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.700 3.487 4.228 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.151 2.386 5.064 1.00 0.43 C ATOM 1011 C ALA A 72 -17.579 1.054 4.590 1.00 0.40 C ATOM 1012 O ALA A 72 -17.771 0.023 5.234 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.666 2.333 5.073 1.00 0.47 C ATOM 0 H ALA A 72 -18.266 3.642 3.394 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.789 2.560 6.077 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.997 1.506 5.701 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.060 3.269 5.468 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.031 2.186 4.057 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.865 1.073 3.470 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.333 -0.151 2.901 1.00 0.30 C ATOM 1021 C ASN A 73 -14.988 -0.490 3.514 1.00 0.33 C ATOM 1022 O ASN A 73 -14.223 0.399 3.890 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.203 -0.031 1.391 1.00 0.32 C ATOM 1024 CG ASN A 73 -17.068 -1.055 0.676 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -18.093 -1.484 1.201 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.679 -1.445 -0.526 1.00 0.95 N ATOM 0 H ASN A 73 -16.644 1.919 2.944 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.031 -0.957 3.128 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.491 0.973 1.078 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.161 -0.168 1.102 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.236 -2.122 -1.047 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.822 -1.068 -0.932 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.703 -1.778 3.625 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.442 -2.221 4.183 1.00 0.35 C ATOM 1035 C ARG A 74 -12.403 -2.349 3.080 1.00 0.27 C ATOM 1036 O ARG A 74 -12.482 -3.236 2.233 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.622 -3.562 4.894 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.624 -3.525 6.039 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.157 -2.638 7.184 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.211 -2.449 8.178 1.00 1.49 N ATOM 1041 CZ ARG A 74 -15.004 -2.107 9.450 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.772 -1.943 9.915 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -16.038 -1.938 10.263 1.00 2.50 N ATOM 0 H ARG A 74 -15.328 -2.531 3.336 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.099 -1.484 4.909 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -13.944 -4.307 4.167 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.657 -3.890 5.280 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.583 -3.162 5.669 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.787 -4.537 6.409 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.283 -3.085 7.659 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.847 -1.669 6.792 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.175 -2.589 7.877 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.972 -2.079 9.298 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.625 -1.681 10.890 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.988 -2.070 9.915 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.884 -1.676 11.237 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.445 -1.444 3.087 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.318 -1.509 2.179 1.00 0.14 C ATOM 1059 C TYR A 75 -9.042 -1.544 2.979 1.00 0.13 C ATOM 1060 O TYR A 75 -8.694 -0.574 3.641 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.310 -0.308 1.247 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.503 -0.264 0.337 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.818 -1.359 -0.441 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.321 0.855 0.268 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.919 -1.350 -1.264 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.426 0.874 -0.561 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.719 -0.234 -1.323 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.824 -0.240 -2.138 1.00 0.35 O ATOM 0 H TYR A 75 -11.426 -0.645 3.721 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.401 -2.411 1.573 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.279 0.606 1.841 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.401 -0.328 0.645 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.190 -2.237 -0.403 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.091 1.722 0.870 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.155 -2.217 -1.863 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -14.055 1.751 -0.611 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.719 0.440 -2.836 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.358 -2.657 2.920 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.142 -2.840 3.683 1.00 0.13 C ATOM 1080 C ALA A 76 -6.016 -3.246 2.773 1.00 0.12 C ATOM 1081 O ALA A 76 -6.235 -3.567 1.616 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.324 -3.866 4.777 1.00 0.16 C ATOM 0 H ALA A 76 -8.622 -3.459 2.348 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.897 -1.889 4.155 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.391 -3.978 5.330 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.111 -3.538 5.456 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.601 -4.823 4.336 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.814 -3.224 3.288 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.656 -3.504 2.483 1.00 0.13 C ATOM 1090 C ALA A 77 -2.602 -4.206 3.306 1.00 0.14 C ATOM 1091 O ALA A 77 -2.678 -4.229 4.526 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.113 -2.219 1.889 1.00 0.12 C ATOM 0 H ALA A 77 -4.612 -3.014 4.266 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.943 -4.166 1.666 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.236 -2.441 1.281 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.878 -1.754 1.267 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.834 -1.536 2.692 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.656 -4.807 2.626 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.521 -5.447 3.257 1.00 0.16 C ATOM 1100 C ARG A 78 0.661 -5.424 2.308 1.00 0.14 C ATOM 1101 O ARG A 78 0.575 -5.937 1.192 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.826 -6.886 3.666 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.419 -7.719 2.561 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.921 -7.575 2.560 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.594 -8.639 1.812 1.00 2.06 N ATOM 1106 CZ ARG A 78 -4.760 -9.175 2.173 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -5.322 -8.833 3.326 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -5.351 -10.075 1.399 1.00 3.35 N ATOM 0 H ARG A 78 -1.650 -4.868 1.608 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.288 -4.892 4.165 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.094 -7.359 4.011 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.515 -6.876 4.510 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.014 -7.405 1.599 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.145 -8.765 2.695 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.282 -7.576 3.589 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.188 -6.610 2.130 1.00 1.56 H new ATOM 0 HE ARG A 78 -3.145 -8.990 0.966 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -4.862 -8.159 3.938 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -6.214 -9.244 3.600 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -4.913 -10.360 0.523 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -6.243 -10.482 1.680 1.00 3.35 H new ATOM 1122 N LEU A 79 1.749 -4.814 2.720 1.00 0.17 N ATOM 1123 CA LEU A 79 2.915 -4.754 1.866 1.00 0.15 C ATOM 1124 C LEU A 79 4.101 -5.399 2.544 1.00 0.15 C ATOM 1125 O LEU A 79 4.545 -4.960 3.599 1.00 0.22 O ATOM 1126 CB LEU A 79 3.252 -3.313 1.482 1.00 0.16 C ATOM 1127 CG LEU A 79 3.874 -3.147 0.087 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.113 -1.681 -0.225 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.162 -3.956 -0.045 1.00 0.16 C ATOM 0 H LEU A 79 1.852 -4.359 3.627 1.00 0.17 H new ATOM 0 HA LEU A 79 2.684 -5.303 0.953 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.341 -2.716 1.532 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.941 -2.906 2.222 1.00 0.16 H new ATOM 0 HG LEU A 79 3.166 -3.536 -0.644 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.554 -1.587 -1.217 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.165 -1.144 -0.197 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.792 -1.258 0.515 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.578 -3.818 -1.043 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.883 -3.616 0.699 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.946 -5.012 0.115 1.00 0.16 H new ATOM 1141 N ASP A 80 4.596 -6.449 1.924 1.00 0.12 N ATOM 1142 CA ASP A 80 5.801 -7.107 2.373 1.00 0.12 C ATOM 1143 C ASP A 80 6.978 -6.606 1.554 1.00 0.11 C ATOM 1144 O ASP A 80 6.971 -6.688 0.334 1.00 0.15 O ATOM 1145 CB ASP A 80 5.649 -8.623 2.239 1.00 0.15 C ATOM 1146 CG ASP A 80 6.912 -9.390 2.594 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.800 -9.542 1.727 1.00 2.22 O ATOM 1148 OD2 ASP A 80 7.007 -9.879 3.738 1.00 1.06 O ATOM 0 H ASP A 80 4.174 -6.869 1.096 1.00 0.12 H new ATOM 0 HA ASP A 80 5.979 -6.876 3.423 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.836 -8.958 2.884 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.363 -8.863 1.215 1.00 0.15 H new ATOM 1153 N VAL A 81 7.965 -6.032 2.201 1.00 0.09 N ATOM 1154 CA VAL A 81 9.156 -5.623 1.490 1.00 0.10 C ATOM 1155 C VAL A 81 10.284 -6.579 1.829 1.00 0.12 C ATOM 1156 O VAL A 81 10.836 -6.532 2.923 1.00 0.13 O ATOM 1157 CB VAL A 81 9.582 -4.182 1.826 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.647 -3.711 0.856 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.392 -3.235 1.810 1.00 0.09 C ATOM 0 H VAL A 81 7.970 -5.839 3.203 1.00 0.09 H new ATOM 0 HA VAL A 81 8.931 -5.649 0.424 1.00 0.10 H new ATOM 0 HB VAL A 81 9.996 -4.179 2.834 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.940 -2.691 1.104 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.516 -4.365 0.925 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.252 -3.738 -0.159 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.727 -2.226 2.051 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.937 -3.239 0.820 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.658 -3.560 2.548 1.00 0.09 H new ATOM 1169 N SER A 82 10.611 -7.436 0.888 1.00 0.14 N ATOM 1170 CA SER A 82 11.646 -8.430 1.068 1.00 0.17 C ATOM 1171 C SER A 82 12.686 -8.301 -0.040 1.00 0.20 C ATOM 1172 O SER A 82 12.447 -8.691 -1.186 1.00 0.25 O ATOM 1173 CB SER A 82 11.027 -9.828 1.074 1.00 0.21 C ATOM 1174 OG SER A 82 9.933 -9.910 0.172 1.00 0.82 O ATOM 0 H SER A 82 10.164 -7.463 -0.029 1.00 0.14 H new ATOM 0 HA SER A 82 12.142 -8.269 2.025 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.783 -10.564 0.801 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.691 -10.075 2.081 1.00 0.21 H new ATOM 0 HG SER A 82 9.118 -10.137 0.666 1.00 0.82 H new ATOM 1180 N PHE A 83 13.829 -7.734 0.300 1.00 0.21 N ATOM 1181 CA PHE A 83 14.870 -7.477 -0.677 1.00 0.24 C ATOM 1182 C PHE A 83 16.246 -7.530 -0.021 1.00 0.24 C ATOM 1183 O PHE A 83 16.716 -6.544 0.549 1.00 0.23 O ATOM 1184 CB PHE A 83 14.631 -6.113 -1.341 1.00 0.26 C ATOM 1185 CG PHE A 83 15.733 -5.680 -2.269 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.010 -6.395 -3.422 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.491 -4.559 -1.982 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.025 -5.999 -4.270 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.507 -4.157 -2.826 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.774 -4.879 -3.973 1.00 0.34 C ATOM 0 H PHE A 83 14.060 -7.442 1.250 1.00 0.21 H new ATOM 0 HA PHE A 83 14.837 -8.250 -1.445 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.695 -6.151 -1.899 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.508 -5.359 -0.564 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.426 -7.272 -3.660 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.285 -3.991 -1.087 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.233 -6.566 -5.166 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.092 -3.280 -2.590 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.568 -4.567 -4.636 1.00 0.34 H new ATOM 1200 N GLY A 84 16.872 -8.695 -0.083 1.00 0.30 N ATOM 1201 CA GLY A 84 18.206 -8.851 0.459 1.00 0.34 C ATOM 1202 C GLY A 84 18.226 -8.805 1.972 1.00 0.34 C ATOM 1203 O GLY A 84 17.844 -9.774 2.637 1.00 0.41 O ATOM 0 H GLY A 84 16.479 -9.538 -0.501 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.623 -9.800 0.122 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.849 -8.063 0.066 1.00 0.34 H new ATOM 1207 N SER A 85 18.654 -7.676 2.514 1.00 0.32 N ATOM 1208 CA SER A 85 18.791 -7.515 3.950 1.00 0.36 C ATOM 1209 C SER A 85 17.518 -6.965 4.587 1.00 0.31 C ATOM 1210 O SER A 85 17.365 -6.986 5.808 1.00 0.35 O ATOM 1211 CB SER A 85 19.960 -6.598 4.241 1.00 0.43 C ATOM 1212 OG SER A 85 19.851 -5.382 3.519 1.00 0.42 O ATOM 0 H SER A 85 18.914 -6.851 1.974 1.00 0.32 H new ATOM 0 HA SER A 85 18.971 -8.498 4.386 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.003 -6.387 5.310 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.892 -7.098 3.978 1.00 0.43 H new ATOM 0 HG SER A 85 20.618 -4.808 3.727 1.00 0.42 H new ATOM 1218 N VAL A 86 16.606 -6.468 3.766 1.00 0.24 N ATOM 1219 CA VAL A 86 15.358 -5.934 4.279 1.00 0.20 C ATOM 1220 C VAL A 86 14.215 -6.924 4.094 1.00 0.17 C ATOM 1221 O VAL A 86 14.068 -7.532 3.032 1.00 0.18 O ATOM 1222 CB VAL A 86 14.982 -4.589 3.613 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.745 -4.750 2.119 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.756 -3.992 4.286 1.00 0.19 C ATOM 0 H VAL A 86 16.706 -6.424 2.752 1.00 0.24 H new ATOM 0 HA VAL A 86 15.515 -5.759 5.343 1.00 0.20 H new ATOM 0 HB VAL A 86 15.823 -3.908 3.741 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.483 -3.785 1.686 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.652 -5.126 1.645 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.930 -5.455 1.954 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.503 -3.046 3.807 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.917 -4.682 4.193 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.968 -3.819 5.341 1.00 0.19 H new ATOM 1234 N THR A 87 13.442 -7.124 5.148 1.00 0.17 N ATOM 1235 CA THR A 87 12.187 -7.845 5.047 1.00 0.17 C ATOM 1236 C THR A 87 11.214 -7.334 6.106 1.00 0.15 C ATOM 1237 O THR A 87 11.456 -7.469 7.305 1.00 0.18 O ATOM 1238 CB THR A 87 12.384 -9.362 5.215 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.444 -9.820 4.360 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.103 -10.090 4.867 1.00 0.23 C ATOM 0 H THR A 87 13.664 -6.795 6.088 1.00 0.17 H new ATOM 0 HA THR A 87 11.781 -7.669 4.051 1.00 0.17 H new ATOM 0 HB THR A 87 12.647 -9.569 6.253 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.563 -10.786 4.475 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.250 -11.163 4.988 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.304 -9.756 5.529 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.832 -9.875 3.833 1.00 0.23 H new ATOM 1248 N ILE A 88 10.110 -6.764 5.647 1.00 0.12 N ATOM 1249 CA ILE A 88 9.141 -6.099 6.517 1.00 0.11 C ATOM 1250 C ILE A 88 7.748 -6.232 5.933 1.00 0.10 C ATOM 1251 O ILE A 88 7.602 -6.634 4.784 1.00 0.11 O ATOM 1252 CB ILE A 88 9.440 -4.604 6.678 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.200 -3.893 5.359 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.863 -4.381 7.163 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.506 -2.421 5.407 1.00 0.09 C ATOM 0 H ILE A 88 9.857 -6.747 4.659 1.00 0.12 H new ATOM 0 HA ILE A 88 9.209 -6.581 7.492 1.00 0.11 H new ATOM 0 HB ILE A 88 8.770 -4.190 7.431 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.813 -4.359 4.587 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.159 -4.030 5.065 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.048 -3.312 7.269 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.999 -4.870 8.128 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.563 -4.801 6.441 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.312 -1.977 4.431 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.874 -1.942 6.155 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.554 -2.276 5.670 1.00 0.09 H new ATOM 1267 N GLN A 89 6.730 -5.926 6.718 1.00 0.11 N ATOM 1268 CA GLN A 89 5.369 -5.899 6.205 1.00 0.14 C ATOM 1269 C GLN A 89 4.501 -4.916 6.987 1.00 0.14 C ATOM 1270 O GLN A 89 4.718 -4.686 8.178 1.00 0.20 O ATOM 1271 CB GLN A 89 4.742 -7.297 6.227 1.00 0.22 C ATOM 1272 CG GLN A 89 4.764 -7.959 7.593 1.00 0.68 C ATOM 1273 CD GLN A 89 4.090 -9.315 7.588 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.892 -9.426 7.847 1.00 1.53 O ATOM 1275 NE2 GLN A 89 4.852 -10.352 7.286 1.00 1.88 N ATOM 0 H GLN A 89 6.817 -5.694 7.707 1.00 0.11 H new ATOM 0 HA GLN A 89 5.419 -5.561 5.170 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.710 -7.227 5.885 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.271 -7.933 5.517 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.797 -8.071 7.923 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.267 -7.312 8.316 1.00 0.68 H new ATOM 0 HE21 GLN A 89 5.841 -10.215 7.078 1.00 1.88 H new ATOM 0 HE22 GLN A 89 4.451 -11.290 7.261 1.00 1.88 H new ATOM 1284 N CYS A 90 3.528 -4.341 6.302 1.00 0.20 N ATOM 1285 CA CYS A 90 2.590 -3.396 6.902 1.00 0.21 C ATOM 1286 C CYS A 90 1.169 -3.712 6.451 1.00 0.23 C ATOM 1287 O CYS A 90 0.977 -4.456 5.493 1.00 0.31 O ATOM 1288 CB CYS A 90 2.977 -1.972 6.509 1.00 0.22 C ATOM 1289 SG CYS A 90 3.738 -1.858 4.859 1.00 0.97 S ATOM 0 H CYS A 90 3.362 -4.514 5.311 1.00 0.20 H new ATOM 0 HA CYS A 90 2.631 -3.484 7.988 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.088 -1.342 6.535 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.671 -1.575 7.249 1.00 0.22 H new ATOM 1294 N ASN A 91 0.178 -3.146 7.131 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.225 -3.454 6.848 1.00 0.18 C ATOM 1296 C ASN A 91 -2.109 -2.223 7.011 1.00 0.16 C ATOM 1297 O ASN A 91 -2.033 -1.521 8.020 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.708 -4.583 7.764 1.00 0.20 C ATOM 1299 CG ASN A 91 -3.222 -4.672 7.873 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -3.827 -4.054 8.747 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -3.844 -5.446 6.998 1.00 1.82 N ATOM 0 H ASN A 91 0.317 -2.471 7.883 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.298 -3.779 5.810 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -1.322 -5.532 7.392 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.288 -4.437 8.759 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -4.859 -5.545 7.035 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.309 -5.944 6.286 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.943 -1.967 6.008 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.798 -0.782 6.001 1.00 0.13 C ATOM 1310 C LEU A 92 -5.001 -0.956 6.919 1.00 0.14 C ATOM 1311 O LEU A 92 -5.633 -2.014 6.938 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.289 -0.433 4.585 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.519 0.479 4.527 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.220 1.861 5.094 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.017 0.610 3.108 1.00 0.12 C ATOM 0 H LEU A 92 -3.046 -2.564 5.188 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.182 0.039 6.369 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.474 0.048 4.044 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.518 -1.360 4.059 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.293 0.018 5.140 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.116 2.480 5.036 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.910 1.768 6.135 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.420 2.326 4.517 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -6.891 1.261 3.088 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.231 1.037 2.485 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.289 -0.374 2.726 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.296 0.084 7.682 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.539 0.163 8.433 1.00 0.19 C ATOM 1329 C ASP A 93 -7.631 0.709 7.530 1.00 0.17 C ATOM 1330 O ASP A 93 -7.593 1.871 7.143 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.371 1.074 9.644 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.563 1.011 10.579 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -7.668 0.035 11.349 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -8.398 1.934 10.551 1.00 2.13 O ATOM 0 H ASP A 93 -4.685 0.893 7.798 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.810 -0.833 8.783 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.470 0.790 10.188 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.230 2.101 9.307 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.619 -0.114 7.176 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.654 0.268 6.209 1.00 0.19 C ATOM 1341 C PRO A 94 -10.482 1.466 6.659 1.00 0.23 C ATOM 1342 O PRO A 94 -11.155 2.116 5.855 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.539 -0.977 6.111 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.236 -1.773 7.331 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.807 -1.484 7.672 1.00 0.21 C ATOM 0 HA PRO A 94 -9.211 0.574 5.261 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.594 -0.707 6.070 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.320 -1.545 5.207 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.896 -1.494 8.152 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.386 -2.837 7.149 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.626 -1.553 8.745 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.127 -2.185 7.188 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.415 1.767 7.940 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.154 2.878 8.496 1.00 0.34 C ATOM 1355 C GLU A 95 -10.402 4.185 8.288 1.00 0.32 C ATOM 1356 O GLU A 95 -10.844 5.239 8.728 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.441 2.625 9.969 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.225 1.360 10.190 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.482 1.059 11.648 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.411 1.656 12.227 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -11.766 0.209 12.217 1.00 1.42 O ATOM 0 H GLU A 95 -9.852 1.253 8.618 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.107 2.967 7.975 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.500 2.566 10.515 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.995 3.469 10.379 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.179 1.437 9.669 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.685 0.525 9.744 1.00 0.69 H new ATOM 1368 N THR A 96 -9.269 4.117 7.604 1.00 0.23 N ATOM 1369 CA THR A 96 -8.484 5.302 7.350 1.00 0.24 C ATOM 1370 C THR A 96 -8.746 5.883 5.962 1.00 0.23 C ATOM 1371 O THR A 96 -8.469 7.060 5.723 1.00 0.30 O ATOM 1372 CB THR A 96 -6.992 5.022 7.508 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.547 4.123 6.493 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.702 4.433 8.877 1.00 0.31 C ATOM 0 H THR A 96 -8.880 3.256 7.220 1.00 0.23 H new ATOM 0 HA THR A 96 -8.793 6.038 8.092 1.00 0.24 H new ATOM 0 HB THR A 96 -6.455 5.966 7.410 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.039 3.279 6.565 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.633 4.240 8.971 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.013 5.137 9.649 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.251 3.499 8.995 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.285 5.067 5.044 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.655 5.533 3.715 1.00 0.23 C ATOM 1384 C VAL A 97 -10.747 6.617 3.762 1.00 0.29 C ATOM 1385 O VAL A 97 -11.242 7.065 2.734 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.072 4.355 2.802 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -9.554 3.044 3.348 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -11.572 4.307 2.545 1.00 0.51 C ATOM 0 H VAL A 97 -9.472 4.078 5.207 1.00 0.20 H new ATOM 0 HA VAL A 97 -8.767 5.995 3.282 1.00 0.23 H new ATOM 0 HB VAL A 97 -9.609 4.526 1.830 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -9.859 2.230 2.690 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -8.466 3.077 3.403 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -9.963 2.878 4.345 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -11.804 3.460 1.899 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -12.100 4.196 3.492 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -11.888 5.231 2.060 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.104 7.052 4.963 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.053 8.138 5.137 1.00 0.38 C ATOM 1400 C LYS A 98 -11.493 9.445 4.597 1.00 0.40 C ATOM 1401 O LYS A 98 -10.941 10.251 5.344 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.439 8.303 6.602 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.722 7.586 7.004 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.495 6.150 7.457 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.047 5.242 6.331 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.489 3.838 6.547 1.00 2.40 N ATOM 0 H LYS A 98 -10.746 6.664 5.836 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.948 7.882 4.570 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.622 7.935 7.223 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.549 9.366 6.818 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.203 8.141 7.809 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.411 7.588 6.159 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.745 6.138 8.248 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.417 5.760 7.887 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.449 5.609 5.386 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.961 5.273 6.249 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.729 3.187 6.263 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.710 3.694 7.553 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.337 3.649 5.976 1.00 2.40 H new