USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.298 (180deg=-0.187) USER MOD Single : A 1 SER OG : rot 180:sc= 0.168 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -55:sc= 0.967 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -47:sc= 0.224 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.172 X(o=-0.17,f=0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -51:sc= 0.687 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -53:sc= 0.813 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -43:sc= 0.98 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -144:sc= 0.0113 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.42) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0172) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.565 -0.741 -31.730 1.00 32.13 N ATOM 2 CA SER A 1 24.832 0.519 -31.745 1.00 40.11 C ATOM 3 C SER A 1 24.609 1.034 -30.326 1.00 41.43 C ATOM 4 O SER A 1 23.569 1.616 -30.022 1.00 44.41 O ATOM 5 CB SER A 1 23.486 0.342 -32.452 1.00 72.31 C ATOM 6 OG SER A 1 23.542 -0.713 -33.396 1.00 62.22 O ATOM 0 H1 SER A 1 25.226 -1.349 -32.502 1.00 32.13 H new ATOM 0 H2 SER A 1 26.580 -0.554 -31.857 1.00 32.13 H new ATOM 0 H3 SER A 1 25.413 -1.220 -30.820 1.00 32.13 H new ATOM 0 HA SER A 1 25.428 1.251 -32.290 1.00 40.11 H new ATOM 0 HB2 SER A 1 22.709 0.135 -31.716 1.00 72.31 H new ATOM 0 HB3 SER A 1 23.210 1.269 -32.954 1.00 72.31 H new ATOM 0 HG SER A 1 22.670 -0.808 -33.833 1.00 62.22 H new ATOM 12 N ALA A 2 25.595 0.816 -29.462 1.00 20.11 N ATOM 13 CA ALA A 2 25.509 1.259 -28.077 1.00 11.41 C ATOM 14 C ALA A 2 26.871 1.709 -27.559 1.00 3.24 C ATOM 15 O ALA A 2 27.561 0.962 -26.867 1.00 74.32 O ATOM 16 CB ALA A 2 24.950 0.148 -27.201 1.00 12.01 C ATOM 0 H ALA A 2 26.463 0.335 -29.698 1.00 20.11 H new ATOM 0 HA ALA A 2 24.833 2.113 -28.036 1.00 11.41 H new ATOM 0 HB1 ALA A 2 24.891 0.493 -26.169 1.00 12.01 H new ATOM 0 HB2 ALA A 2 23.954 -0.124 -27.550 1.00 12.01 H new ATOM 0 HB3 ALA A 2 25.604 -0.722 -27.256 1.00 12.01 H new ATOM 22 N ALA A 3 27.252 2.937 -27.899 1.00 72.13 N ATOM 23 CA ALA A 3 28.531 3.487 -27.468 1.00 54.42 C ATOM 24 C ALA A 3 28.363 4.357 -26.227 1.00 1.33 C ATOM 25 O ALA A 3 27.254 4.777 -25.896 1.00 12.33 O ATOM 26 CB ALA A 3 29.169 4.286 -28.594 1.00 10.20 C ATOM 0 H ALA A 3 26.693 3.569 -28.472 1.00 72.13 H new ATOM 0 HA ALA A 3 29.188 2.656 -27.211 1.00 54.42 H new ATOM 0 HB1 ALA A 3 30.124 4.691 -28.257 1.00 10.20 H new ATOM 0 HB2 ALA A 3 29.333 3.636 -29.454 1.00 10.20 H new ATOM 0 HB3 ALA A 3 28.508 5.105 -28.879 1.00 10.20 H new ATOM 32 N LYS A 4 29.470 4.626 -25.544 1.00 12.22 N ATOM 33 CA LYS A 4 29.447 5.448 -24.340 1.00 74.14 C ATOM 34 C LYS A 4 28.614 4.787 -23.246 1.00 72.54 C ATOM 35 O LYS A 4 27.916 3.805 -23.492 1.00 73.55 O ATOM 36 CB LYS A 4 28.885 6.836 -24.655 1.00 20.20 C ATOM 37 CG LYS A 4 29.516 7.484 -25.874 1.00 25.01 C ATOM 38 CD LYS A 4 29.056 8.923 -26.041 1.00 32.24 C ATOM 39 CE LYS A 4 30.219 9.896 -25.922 1.00 4.54 C ATOM 40 NZ LYS A 4 29.954 11.169 -26.650 1.00 13.42 N ATOM 0 H LYS A 4 30.396 4.286 -25.804 1.00 12.22 H new ATOM 0 HA LYS A 4 30.471 5.551 -23.981 1.00 74.14 H new ATOM 0 HB2 LYS A 4 27.809 6.756 -24.812 1.00 20.20 H new ATOM 0 HB3 LYS A 4 29.034 7.484 -23.791 1.00 20.20 H new ATOM 0 HG2 LYS A 4 30.602 7.456 -25.781 1.00 25.01 H new ATOM 0 HG3 LYS A 4 29.258 6.913 -26.766 1.00 25.01 H new ATOM 0 HD2 LYS A 4 28.578 9.043 -27.013 1.00 32.24 H new ATOM 0 HD3 LYS A 4 28.306 9.157 -25.286 1.00 32.24 H new ATOM 0 HE2 LYS A 4 30.406 10.111 -24.870 1.00 4.54 H new ATOM 0 HE3 LYS A 4 31.122 9.432 -26.318 1.00 4.54 H new ATOM 0 HZ1 LYS A 4 30.770 11.805 -26.545 1.00 13.42 H new ATOM 0 HZ2 LYS A 4 29.800 10.967 -27.659 1.00 13.42 H new ATOM 0 HZ3 LYS A 4 29.106 11.625 -26.255 1.00 13.42 H new ATOM 54 N GLY A 5 28.692 5.334 -22.036 1.00 44.32 N ATOM 55 CA GLY A 5 27.939 4.785 -20.924 1.00 24.01 C ATOM 56 C GLY A 5 28.553 3.510 -20.381 1.00 22.32 C ATOM 57 O GLY A 5 27.954 2.437 -20.468 1.00 41.12 O ATOM 0 H GLY A 5 29.263 6.147 -21.807 1.00 44.32 H new ATOM 0 HA2 GLY A 5 27.883 5.526 -20.126 1.00 24.01 H new ATOM 0 HA3 GLY A 5 26.917 4.584 -21.245 1.00 24.01 H new ATOM 61 N THR A 6 29.753 3.625 -19.821 1.00 70.41 N ATOM 62 CA THR A 6 30.450 2.472 -19.266 1.00 75.15 C ATOM 63 C THR A 6 30.878 2.729 -17.826 1.00 55.44 C ATOM 64 O THR A 6 31.907 2.227 -17.374 1.00 20.02 O ATOM 65 CB THR A 6 31.693 2.109 -20.101 1.00 52.30 C ATOM 66 OG1 THR A 6 32.292 0.912 -19.594 1.00 33.01 O ATOM 67 CG2 THR A 6 32.709 3.241 -20.077 1.00 35.01 C ATOM 0 H THR A 6 30.262 4.505 -19.740 1.00 70.41 H new ATOM 0 HA THR A 6 29.749 1.638 -19.291 1.00 75.15 H new ATOM 0 HB THR A 6 31.377 1.947 -21.132 1.00 52.30 H new ATOM 0 HG1 THR A 6 32.495 1.025 -18.642 1.00 33.01 H new ATOM 0 HG21 THR A 6 33.578 2.963 -20.673 1.00 35.01 H new ATOM 0 HG22 THR A 6 32.259 4.143 -20.491 1.00 35.01 H new ATOM 0 HG23 THR A 6 33.019 3.430 -19.049 1.00 35.01 H new ATOM 75 N ALA A 7 30.080 3.514 -17.107 1.00 21.43 N ATOM 76 CA ALA A 7 30.376 3.835 -15.717 1.00 40.41 C ATOM 77 C ALA A 7 29.451 3.078 -14.770 1.00 30.13 C ATOM 78 O ALA A 7 29.861 2.108 -14.133 1.00 3.42 O ATOM 79 CB ALA A 7 30.257 5.335 -15.485 1.00 25.23 C ATOM 0 H ALA A 7 29.224 3.938 -17.465 1.00 21.43 H new ATOM 0 HA ALA A 7 31.400 3.525 -15.509 1.00 40.41 H new ATOM 0 HB1 ALA A 7 30.481 5.561 -14.442 1.00 25.23 H new ATOM 0 HB2 ALA A 7 30.962 5.860 -16.129 1.00 25.23 H new ATOM 0 HB3 ALA A 7 29.243 5.660 -15.717 1.00 25.23 H new ATOM 85 N GLU A 8 28.202 3.527 -14.683 1.00 32.15 N ATOM 86 CA GLU A 8 27.222 2.891 -13.812 1.00 53.11 C ATOM 87 C GLU A 8 25.816 3.404 -14.111 1.00 73.22 C ATOM 88 O GLU A 8 25.114 3.884 -13.220 1.00 54.02 O ATOM 89 CB GLU A 8 27.568 3.148 -12.344 1.00 75.44 C ATOM 90 CG GLU A 8 26.928 2.158 -11.385 1.00 52.44 C ATOM 91 CD GLU A 8 26.912 2.659 -9.954 1.00 61.22 C ATOM 92 OE1 GLU A 8 27.013 3.887 -9.754 1.00 53.34 O ATOM 93 OE2 GLU A 8 26.797 1.821 -9.034 1.00 64.31 O ATOM 0 H GLU A 8 27.846 4.328 -15.205 1.00 32.15 H new ATOM 0 HA GLU A 8 27.248 1.818 -14.001 1.00 53.11 H new ATOM 0 HB2 GLU A 8 28.651 3.110 -12.223 1.00 75.44 H new ATOM 0 HB3 GLU A 8 27.252 4.156 -12.076 1.00 75.44 H new ATOM 0 HG2 GLU A 8 25.906 1.955 -11.706 1.00 52.44 H new ATOM 0 HG3 GLU A 8 27.470 1.213 -11.429 1.00 52.44 H new ATOM 100 N THR A 9 25.409 3.298 -15.372 1.00 12.14 N ATOM 101 CA THR A 9 24.089 3.751 -15.790 1.00 43.11 C ATOM 102 C THR A 9 23.641 3.040 -17.061 1.00 60.23 C ATOM 103 O THR A 9 23.657 3.617 -18.148 1.00 52.22 O ATOM 104 CB THR A 9 24.068 5.273 -16.033 1.00 71.44 C ATOM 105 OG1 THR A 9 24.719 5.950 -14.952 1.00 51.24 O ATOM 106 CG2 THR A 9 22.640 5.779 -16.170 1.00 33.21 C ATOM 0 H THR A 9 25.976 2.902 -16.122 1.00 12.14 H new ATOM 0 HA THR A 9 23.401 3.510 -14.980 1.00 43.11 H new ATOM 0 HB THR A 9 24.600 5.479 -16.962 1.00 71.44 H new ATOM 0 HG1 THR A 9 24.703 6.916 -15.114 1.00 51.24 H new ATOM 0 HG21 THR A 9 22.650 6.855 -16.341 1.00 33.21 H new ATOM 0 HG22 THR A 9 22.157 5.283 -17.012 1.00 33.21 H new ATOM 0 HG23 THR A 9 22.088 5.562 -15.256 1.00 33.21 H new ATOM 114 N LYS A 10 23.239 1.781 -16.918 1.00 74.25 N ATOM 115 CA LYS A 10 22.782 0.989 -18.054 1.00 30.22 C ATOM 116 C LYS A 10 22.223 -0.353 -17.592 1.00 22.22 C ATOM 117 O LYS A 10 22.376 -1.366 -18.274 1.00 41.52 O ATOM 118 CB LYS A 10 23.933 0.762 -19.038 1.00 4.11 C ATOM 119 CG LYS A 10 23.541 0.975 -20.491 1.00 52.32 C ATOM 120 CD LYS A 10 23.244 -0.341 -21.186 1.00 64.43 C ATOM 121 CE LYS A 10 23.834 -0.377 -22.589 1.00 55.45 C ATOM 122 NZ LYS A 10 24.305 -1.741 -22.957 1.00 43.15 N ATOM 0 H LYS A 10 23.221 1.287 -16.026 1.00 74.25 H new ATOM 0 HA LYS A 10 21.986 1.541 -18.554 1.00 30.22 H new ATOM 0 HB2 LYS A 10 24.752 1.437 -18.788 1.00 4.11 H new ATOM 0 HB3 LYS A 10 24.309 -0.254 -18.917 1.00 4.11 H new ATOM 0 HG2 LYS A 10 22.664 1.620 -20.541 1.00 52.32 H new ATOM 0 HG3 LYS A 10 24.346 1.490 -21.014 1.00 52.32 H new ATOM 0 HD2 LYS A 10 23.650 -1.164 -20.598 1.00 64.43 H new ATOM 0 HD3 LYS A 10 22.166 -0.490 -21.240 1.00 64.43 H new ATOM 0 HE2 LYS A 10 23.084 -0.046 -23.307 1.00 55.45 H new ATOM 0 HE3 LYS A 10 24.666 0.324 -22.651 1.00 55.45 H new ATOM 0 HZ1 LYS A 10 24.700 -1.724 -23.919 1.00 43.15 H new ATOM 0 HZ2 LYS A 10 25.039 -2.047 -22.287 1.00 43.15 H new ATOM 0 HZ3 LYS A 10 23.506 -2.405 -22.923 1.00 43.15 H new ATOM 136 N GLN A 11 21.574 -0.350 -16.433 1.00 51.33 N ATOM 137 CA GLN A 11 20.990 -1.568 -15.882 1.00 0.12 C ATOM 138 C GLN A 11 19.466 -1.500 -15.904 1.00 21.43 C ATOM 139 O GLN A 11 18.806 -2.378 -16.457 1.00 24.43 O ATOM 140 CB GLN A 11 21.481 -1.791 -14.451 1.00 32.42 C ATOM 141 CG GLN A 11 22.986 -1.638 -14.293 1.00 63.22 C ATOM 142 CD GLN A 11 23.765 -2.598 -15.170 1.00 34.55 C ATOM 143 OE1 GLN A 11 23.272 -3.666 -15.533 1.00 0.21 O ATOM 144 NE2 GLN A 11 24.991 -2.222 -15.516 1.00 1.40 N ATOM 0 H GLN A 11 21.439 0.481 -15.857 1.00 51.33 H new ATOM 0 HA GLN A 11 21.307 -2.406 -16.503 1.00 0.12 H new ATOM 0 HB2 GLN A 11 20.981 -1.083 -13.790 1.00 32.42 H new ATOM 0 HB3 GLN A 11 21.190 -2.790 -14.127 1.00 32.42 H new ATOM 0 HG2 GLN A 11 23.271 -0.615 -14.538 1.00 63.22 H new ATOM 0 HG3 GLN A 11 23.257 -1.803 -13.250 1.00 63.22 H new ATOM 0 HE21 GLN A 11 25.361 -1.328 -15.193 1.00 1.40 H new ATOM 0 HE22 GLN A 11 25.563 -2.827 -16.105 1.00 1.40 H new ATOM 153 N GLU A 12 18.917 -0.452 -15.299 1.00 52.34 N ATOM 154 CA GLU A 12 17.470 -0.272 -15.249 1.00 22.23 C ATOM 155 C GLU A 12 17.091 1.168 -15.579 1.00 50.35 C ATOM 156 O GLU A 12 16.464 1.857 -14.773 1.00 1.15 O ATOM 157 CB GLU A 12 16.935 -0.648 -13.866 1.00 73.20 C ATOM 158 CG GLU A 12 17.695 -0.001 -12.722 1.00 33.43 C ATOM 159 CD GLU A 12 16.824 0.240 -11.504 1.00 21.52 C ATOM 160 OE1 GLU A 12 15.917 -0.580 -11.251 1.00 21.23 O ATOM 161 OE2 GLU A 12 17.051 1.250 -10.804 1.00 62.43 O ATOM 0 H GLU A 12 19.451 0.284 -14.837 1.00 52.34 H new ATOM 0 HA GLU A 12 17.021 -0.928 -15.995 1.00 22.23 H new ATOM 0 HB2 GLU A 12 15.885 -0.361 -13.802 1.00 73.20 H new ATOM 0 HB3 GLU A 12 16.977 -1.731 -13.752 1.00 73.20 H new ATOM 0 HG2 GLU A 12 18.535 -0.637 -12.443 1.00 33.43 H new ATOM 0 HG3 GLU A 12 18.112 0.948 -13.059 1.00 33.43 H new ATOM 168 N LYS A 13 17.473 1.617 -16.770 1.00 13.45 N ATOM 169 CA LYS A 13 17.174 2.975 -17.208 1.00 3.51 C ATOM 170 C LYS A 13 16.897 3.014 -18.707 1.00 64.32 C ATOM 171 O LYS A 13 17.674 3.576 -19.478 1.00 21.13 O ATOM 172 CB LYS A 13 18.336 3.911 -16.870 1.00 32.00 C ATOM 173 CG LYS A 13 17.999 5.384 -17.032 1.00 70.43 C ATOM 174 CD LYS A 13 17.147 5.891 -15.881 1.00 1.21 C ATOM 175 CE LYS A 13 17.627 7.248 -15.389 1.00 54.23 C ATOM 176 NZ LYS A 13 18.480 7.126 -14.174 1.00 3.31 N ATOM 0 H LYS A 13 17.991 1.060 -17.449 1.00 13.45 H new ATOM 0 HA LYS A 13 16.281 3.311 -16.681 1.00 3.51 H new ATOM 0 HB2 LYS A 13 18.650 3.730 -15.842 1.00 32.00 H new ATOM 0 HB3 LYS A 13 19.184 3.669 -17.510 1.00 32.00 H new ATOM 0 HG2 LYS A 13 18.920 5.965 -17.088 1.00 70.43 H new ATOM 0 HG3 LYS A 13 17.469 5.536 -17.972 1.00 70.43 H new ATOM 0 HD2 LYS A 13 16.108 5.965 -16.201 1.00 1.21 H new ATOM 0 HD3 LYS A 13 17.177 5.174 -15.061 1.00 1.21 H new ATOM 0 HE2 LYS A 13 18.190 7.743 -16.180 1.00 54.23 H new ATOM 0 HE3 LYS A 13 16.767 7.879 -15.167 1.00 54.23 H new ATOM 0 HZ1 LYS A 13 18.787 8.072 -13.869 1.00 3.31 H new ATOM 0 HZ2 LYS A 13 17.935 6.676 -13.411 1.00 3.31 H new ATOM 0 HZ3 LYS A 13 19.314 6.545 -14.392 1.00 3.31 H new ATOM 190 N SER A 14 15.783 2.411 -19.115 1.00 2.42 N ATOM 191 CA SER A 14 15.405 2.375 -20.523 1.00 14.34 C ATOM 192 C SER A 14 13.996 2.926 -20.722 1.00 33.52 C ATOM 193 O SER A 14 13.239 3.084 -19.764 1.00 63.12 O ATOM 194 CB SER A 14 15.487 0.944 -21.058 1.00 53.32 C ATOM 195 OG SER A 14 16.828 0.574 -21.324 1.00 14.42 O ATOM 0 H SER A 14 15.128 1.941 -18.490 1.00 2.42 H new ATOM 0 HA SER A 14 16.102 3.003 -21.078 1.00 14.34 H new ATOM 0 HB2 SER A 14 15.054 0.256 -20.332 1.00 53.32 H new ATOM 0 HB3 SER A 14 14.896 0.859 -21.970 1.00 53.32 H new ATOM 0 HG SER A 14 16.853 -0.345 -21.663 1.00 14.42 H new ATOM 201 N PHE A 15 13.652 3.215 -21.972 1.00 70.22 N ATOM 202 CA PHE A 15 12.335 3.749 -22.298 1.00 43.23 C ATOM 203 C PHE A 15 11.235 2.771 -21.892 1.00 33.34 C ATOM 204 O PHE A 15 10.138 3.175 -21.509 1.00 11.24 O ATOM 205 CB PHE A 15 12.238 4.049 -23.795 1.00 11.03 C ATOM 206 CG PHE A 15 12.177 2.816 -24.651 1.00 22.13 C ATOM 207 CD1 PHE A 15 13.340 2.176 -25.051 1.00 50.44 C ATOM 208 CD2 PHE A 15 10.958 2.297 -25.056 1.00 13.31 C ATOM 209 CE1 PHE A 15 13.287 1.041 -25.838 1.00 61.05 C ATOM 210 CE2 PHE A 15 10.899 1.163 -25.843 1.00 52.24 C ATOM 211 CZ PHE A 15 12.064 0.534 -26.235 1.00 23.33 C ATOM 0 H PHE A 15 14.267 3.088 -22.776 1.00 70.22 H new ATOM 0 HA PHE A 15 12.199 4.675 -21.739 1.00 43.23 H new ATOM 0 HB2 PHE A 15 11.350 4.654 -23.979 1.00 11.03 H new ATOM 0 HB3 PHE A 15 13.099 4.647 -24.094 1.00 11.03 H new ATOM 0 HD1 PHE A 15 14.298 2.569 -24.744 1.00 50.44 H new ATOM 0 HD2 PHE A 15 10.043 2.785 -24.753 1.00 13.31 H new ATOM 0 HE1 PHE A 15 14.200 0.551 -26.142 1.00 61.05 H new ATOM 0 HE2 PHE A 15 9.942 0.769 -26.151 1.00 52.24 H new ATOM 0 HZ PHE A 15 12.020 -0.352 -26.851 1.00 23.33 H new ATOM 221 N VAL A 16 11.539 1.479 -21.981 1.00 14.33 N ATOM 222 CA VAL A 16 10.579 0.441 -21.623 1.00 1.51 C ATOM 223 C VAL A 16 10.054 0.645 -20.206 1.00 64.25 C ATOM 224 O VAL A 16 8.881 0.393 -19.927 1.00 51.35 O ATOM 225 CB VAL A 16 11.204 -0.962 -21.731 1.00 44.04 C ATOM 226 CG1 VAL A 16 12.452 -1.059 -20.867 1.00 31.40 C ATOM 227 CG2 VAL A 16 10.190 -2.027 -21.339 1.00 41.13 C ATOM 0 H VAL A 16 12.442 1.127 -22.298 1.00 14.33 H new ATOM 0 HA VAL A 16 9.752 0.517 -22.328 1.00 1.51 H new ATOM 0 HB VAL A 16 11.495 -1.133 -22.767 1.00 44.04 H new ATOM 0 HG11 VAL A 16 12.880 -2.058 -20.956 1.00 31.40 H new ATOM 0 HG12 VAL A 16 13.182 -0.321 -21.198 1.00 31.40 H new ATOM 0 HG13 VAL A 16 12.190 -0.868 -19.826 1.00 31.40 H new ATOM 0 HG21 VAL A 16 10.648 -3.013 -21.421 1.00 41.13 H new ATOM 0 HG22 VAL A 16 9.867 -1.861 -20.311 1.00 41.13 H new ATOM 0 HG23 VAL A 16 9.328 -1.971 -22.004 1.00 41.13 H new ATOM 237 N ASP A 17 10.927 1.102 -19.317 1.00 74.00 N ATOM 238 CA ASP A 17 10.551 1.341 -17.928 1.00 64.34 C ATOM 239 C ASP A 17 9.416 2.357 -17.840 1.00 43.11 C ATOM 240 O ASP A 17 8.534 2.244 -16.988 1.00 23.12 O ATOM 241 CB ASP A 17 11.757 1.835 -17.128 1.00 34.42 C ATOM 242 CG ASP A 17 11.644 1.512 -15.651 1.00 61.22 C ATOM 243 OD1 ASP A 17 10.504 1.436 -15.146 1.00 14.33 O ATOM 244 OD2 ASP A 17 12.695 1.333 -15.001 1.00 25.14 O ATOM 0 H ASP A 17 11.901 1.315 -19.533 1.00 74.00 H new ATOM 0 HA ASP A 17 10.205 0.398 -17.504 1.00 64.34 H new ATOM 0 HB2 ASP A 17 12.664 1.382 -17.528 1.00 34.42 H new ATOM 0 HB3 ASP A 17 11.856 2.913 -17.255 1.00 34.42 H new ATOM 249 N TRP A 18 9.447 3.348 -18.724 1.00 41.04 N ATOM 250 CA TRP A 18 8.421 4.385 -18.744 1.00 70.21 C ATOM 251 C TRP A 18 7.225 3.950 -19.584 1.00 44.21 C ATOM 252 O TRP A 18 6.077 4.247 -19.249 1.00 2.32 O ATOM 253 CB TRP A 18 8.997 5.691 -19.292 1.00 21.32 C ATOM 254 CG TRP A 18 7.989 6.796 -19.377 1.00 52.20 C ATOM 255 CD1 TRP A 18 6.884 6.960 -18.591 1.00 32.11 C ATOM 256 CD2 TRP A 18 7.992 7.890 -20.301 1.00 62.44 C ATOM 257 NE1 TRP A 18 6.201 8.090 -18.971 1.00 74.14 N ATOM 258 CE2 TRP A 18 6.860 8.678 -20.017 1.00 3.41 C ATOM 259 CE3 TRP A 18 8.841 8.281 -21.339 1.00 13.45 C ATOM 260 CZ2 TRP A 18 6.558 9.833 -20.735 1.00 53.25 C ATOM 261 CZ3 TRP A 18 8.540 9.427 -22.051 1.00 61.33 C ATOM 262 CH2 TRP A 18 7.407 10.192 -21.746 1.00 34.02 C ATOM 0 H TRP A 18 10.170 3.455 -19.435 1.00 41.04 H new ATOM 0 HA TRP A 18 8.083 4.547 -17.720 1.00 70.21 H new ATOM 0 HB2 TRP A 18 9.823 6.010 -18.656 1.00 21.32 H new ATOM 0 HB3 TRP A 18 9.410 5.509 -20.284 1.00 21.32 H new ATOM 0 HD1 TRP A 18 6.590 6.299 -17.789 1.00 32.11 H new ATOM 0 HE1 TRP A 18 5.342 8.435 -18.543 1.00 74.14 H new ATOM 0 HE3 TRP A 18 9.717 7.698 -21.581 1.00 13.45 H new ATOM 0 HZ2 TRP A 18 5.685 10.424 -20.502 1.00 53.25 H new ATOM 0 HZ3 TRP A 18 9.189 9.738 -22.856 1.00 61.33 H new ATOM 0 HH2 TRP A 18 7.200 11.083 -22.320 1.00 34.02 H new ATOM 273 N LEU A 19 7.500 3.246 -20.677 1.00 50.32 N ATOM 274 CA LEU A 19 6.445 2.771 -21.565 1.00 25.33 C ATOM 275 C LEU A 19 5.554 1.754 -20.858 1.00 63.22 C ATOM 276 O LEU A 19 4.332 1.909 -20.813 1.00 30.32 O ATOM 277 CB LEU A 19 7.053 2.146 -22.822 1.00 71.21 C ATOM 278 CG LEU A 19 6.910 2.955 -24.112 1.00 44.52 C ATOM 279 CD1 LEU A 19 7.578 4.314 -23.965 1.00 44.11 C ATOM 280 CD2 LEU A 19 7.500 2.193 -25.289 1.00 71.31 C ATOM 0 H LEU A 19 8.444 2.992 -20.969 1.00 50.32 H new ATOM 0 HA LEU A 19 5.832 3.626 -21.851 1.00 25.33 H new ATOM 0 HB2 LEU A 19 8.114 1.974 -22.641 1.00 71.21 H new ATOM 0 HB3 LEU A 19 6.593 1.170 -22.976 1.00 71.21 H new ATOM 0 HG LEU A 19 5.849 3.113 -24.304 1.00 44.52 H new ATOM 0 HD11 LEU A 19 7.467 4.876 -24.892 1.00 44.11 H new ATOM 0 HD12 LEU A 19 7.109 4.864 -23.149 1.00 44.11 H new ATOM 0 HD13 LEU A 19 8.638 4.177 -23.749 1.00 44.11 H new ATOM 0 HD21 LEU A 19 7.389 2.784 -26.198 1.00 71.31 H new ATOM 0 HD22 LEU A 19 8.558 2.004 -25.106 1.00 71.31 H new ATOM 0 HD23 LEU A 19 6.977 1.244 -25.407 1.00 71.31 H new ATOM 292 N LEU A 20 6.172 0.717 -20.307 1.00 73.34 N ATOM 293 CA LEU A 20 5.436 -0.325 -19.598 1.00 23.34 C ATOM 294 C LEU A 20 4.698 0.252 -18.395 1.00 33.44 C ATOM 295 O LEU A 20 3.683 -0.289 -17.957 1.00 24.24 O ATOM 296 CB LEU A 20 6.389 -1.433 -19.144 1.00 5.43 C ATOM 297 CG LEU A 20 5.847 -2.859 -19.226 1.00 55.32 C ATOM 298 CD1 LEU A 20 4.628 -3.019 -18.330 1.00 44.53 C ATOM 299 CD2 LEU A 20 5.505 -3.220 -20.664 1.00 11.42 C ATOM 0 H LEU A 20 7.181 0.574 -20.337 1.00 73.34 H new ATOM 0 HA LEU A 20 4.701 -0.746 -20.284 1.00 23.34 H new ATOM 0 HB2 LEU A 20 7.295 -1.375 -19.747 1.00 5.43 H new ATOM 0 HB3 LEU A 20 6.679 -1.235 -18.112 1.00 5.43 H new ATOM 0 HG LEU A 20 6.622 -3.541 -18.877 1.00 55.32 H new ATOM 0 HD11 LEU A 20 4.256 -4.041 -18.401 1.00 44.53 H new ATOM 0 HD12 LEU A 20 4.905 -2.805 -17.298 1.00 44.53 H new ATOM 0 HD13 LEU A 20 3.849 -2.326 -18.648 1.00 44.53 H new ATOM 0 HD21 LEU A 20 5.121 -4.239 -20.702 1.00 11.42 H new ATOM 0 HD22 LEU A 20 4.748 -2.533 -21.042 1.00 11.42 H new ATOM 0 HD23 LEU A 20 6.401 -3.147 -21.280 1.00 11.42 H new ATOM 311 N GLY A 21 5.215 1.357 -17.864 1.00 53.34 N ATOM 312 CA GLY A 21 4.591 1.991 -16.717 1.00 73.54 C ATOM 313 C GLY A 21 3.231 2.573 -17.045 1.00 73.12 C ATOM 314 O GLY A 21 2.419 2.817 -16.152 1.00 11.22 O ATOM 0 H GLY A 21 6.054 1.824 -18.208 1.00 53.34 H new ATOM 0 HA2 GLY A 21 4.486 1.261 -15.915 1.00 73.54 H new ATOM 0 HA3 GLY A 21 5.241 2.783 -16.345 1.00 73.54 H new ATOM 318 N LYS A 22 2.979 2.798 -18.330 1.00 11.24 N ATOM 319 CA LYS A 22 1.708 3.356 -18.775 1.00 25.14 C ATOM 320 C LYS A 22 0.636 2.273 -18.852 1.00 2.32 C ATOM 321 O LYS A 22 -0.558 2.563 -18.769 1.00 73.34 O ATOM 322 CB LYS A 22 1.872 4.025 -20.142 1.00 70.32 C ATOM 323 CG LYS A 22 3.144 4.845 -20.269 1.00 61.30 C ATOM 324 CD LYS A 22 3.264 5.865 -19.150 1.00 2.33 C ATOM 325 CE LYS A 22 2.105 6.852 -19.169 1.00 33.30 C ATOM 326 NZ LYS A 22 2.573 8.259 -19.036 1.00 10.13 N ATOM 0 H LYS A 22 3.639 2.602 -19.082 1.00 11.24 H new ATOM 0 HA LYS A 22 1.393 4.104 -18.047 1.00 25.14 H new ATOM 0 HB2 LYS A 22 1.866 3.257 -20.916 1.00 70.32 H new ATOM 0 HB3 LYS A 22 1.013 4.671 -20.327 1.00 70.32 H new ATOM 0 HG2 LYS A 22 4.009 4.182 -20.252 1.00 61.30 H new ATOM 0 HG3 LYS A 22 3.154 5.357 -21.231 1.00 61.30 H new ATOM 0 HD2 LYS A 22 3.290 5.351 -18.189 1.00 2.33 H new ATOM 0 HD3 LYS A 22 4.205 6.406 -19.248 1.00 2.33 H new ATOM 0 HE2 LYS A 22 1.548 6.741 -20.100 1.00 33.30 H new ATOM 0 HE3 LYS A 22 1.417 6.620 -18.356 1.00 33.30 H new ATOM 0 HZ1 LYS A 22 1.754 8.900 -19.053 1.00 10.13 H new ATOM 0 HZ2 LYS A 22 3.082 8.372 -18.136 1.00 10.13 H new ATOM 0 HZ3 LYS A 22 3.210 8.489 -19.825 1.00 10.13 H new ATOM 340 N ILE A 23 1.069 1.028 -19.010 1.00 22.44 N ATOM 341 CA ILE A 23 0.146 -0.097 -19.096 1.00 12.15 C ATOM 342 C ILE A 23 -0.134 -0.684 -17.716 1.00 31.32 C ATOM 343 O ILE A 23 -1.226 -1.188 -17.454 1.00 32.41 O ATOM 344 CB ILE A 23 0.695 -1.207 -20.012 1.00 41.51 C ATOM 345 CG1 ILE A 23 1.012 -0.643 -21.398 1.00 23.51 C ATOM 346 CG2 ILE A 23 -0.304 -2.351 -20.115 1.00 12.42 C ATOM 347 CD1 ILE A 23 2.471 -0.295 -21.590 1.00 15.54 C ATOM 0 H ILE A 23 2.054 0.772 -19.081 1.00 22.44 H new ATOM 0 HA ILE A 23 -0.782 0.287 -19.521 1.00 12.15 H new ATOM 0 HB ILE A 23 1.617 -1.594 -19.578 1.00 41.51 H new ATOM 0 HG12 ILE A 23 0.718 -1.372 -22.154 1.00 23.51 H new ATOM 0 HG13 ILE A 23 0.409 0.250 -21.565 1.00 23.51 H new ATOM 0 HG21 ILE A 23 0.098 -3.128 -20.766 1.00 12.42 H new ATOM 0 HG22 ILE A 23 -0.485 -2.766 -19.124 1.00 12.42 H new ATOM 0 HG23 ILE A 23 -1.241 -1.980 -20.530 1.00 12.42 H new ATOM 0 HD11 ILE A 23 2.622 0.099 -22.595 1.00 15.54 H new ATOM 0 HD12 ILE A 23 2.765 0.457 -20.858 1.00 15.54 H new ATOM 0 HD13 ILE A 23 3.079 -1.190 -21.456 1.00 15.54 H new ATOM 359 N THR A 24 0.860 -0.614 -16.836 1.00 1.02 N ATOM 360 CA THR A 24 0.721 -1.137 -15.483 1.00 42.10 C ATOM 361 C THR A 24 0.435 -0.019 -14.488 1.00 33.03 C ATOM 362 O THR A 24 0.774 -0.121 -13.309 1.00 12.15 O ATOM 363 CB THR A 24 1.989 -1.891 -15.040 1.00 32.22 C ATOM 364 OG1 THR A 24 1.749 -2.567 -13.800 1.00 43.32 O ATOM 365 CG2 THR A 24 3.161 -0.935 -14.883 1.00 23.21 C ATOM 0 H THR A 24 1.770 -0.200 -17.037 1.00 1.02 H new ATOM 0 HA THR A 24 -0.120 -1.831 -15.497 1.00 42.10 H new ATOM 0 HB THR A 24 2.238 -2.621 -15.810 1.00 32.22 H new ATOM 0 HG1 THR A 24 1.318 -1.952 -13.170 1.00 43.32 H new ATOM 0 HG21 THR A 24 4.045 -1.491 -14.570 1.00 23.21 H new ATOM 0 HG22 THR A 24 3.360 -0.444 -15.836 1.00 23.21 H new ATOM 0 HG23 THR A 24 2.920 -0.184 -14.131 1.00 23.21 H new ATOM 373 N LYS A 25 -0.192 1.049 -14.969 1.00 42.04 N ATOM 374 CA LYS A 25 -0.527 2.188 -14.122 1.00 74.14 C ATOM 375 C LYS A 25 -1.282 1.734 -12.876 1.00 14.43 C ATOM 376 O LYS A 25 -1.195 2.365 -11.823 1.00 1.05 O ATOM 377 CB LYS A 25 -1.368 3.200 -14.901 1.00 43.53 C ATOM 378 CG LYS A 25 -2.810 2.764 -15.106 1.00 20.34 C ATOM 379 CD LYS A 25 -2.909 1.628 -16.111 1.00 45.22 C ATOM 380 CE LYS A 25 -4.206 1.699 -16.904 1.00 64.50 C ATOM 381 NZ LYS A 25 -4.196 0.768 -18.066 1.00 44.42 N ATOM 0 H LYS A 25 -0.479 1.150 -15.943 1.00 42.04 H new ATOM 0 HA LYS A 25 0.403 2.663 -13.810 1.00 74.14 H new ATOM 0 HB2 LYS A 25 -1.357 4.153 -14.372 1.00 43.53 H new ATOM 0 HB3 LYS A 25 -0.907 3.371 -15.874 1.00 43.53 H new ATOM 0 HG2 LYS A 25 -3.235 2.447 -14.153 1.00 20.34 H new ATOM 0 HG3 LYS A 25 -3.402 3.611 -15.453 1.00 20.34 H new ATOM 0 HD2 LYS A 25 -2.061 1.670 -16.794 1.00 45.22 H new ATOM 0 HD3 LYS A 25 -2.852 0.673 -15.589 1.00 45.22 H new ATOM 0 HE2 LYS A 25 -5.045 1.457 -16.251 1.00 64.50 H new ATOM 0 HE3 LYS A 25 -4.361 2.719 -17.257 1.00 64.50 H new ATOM 0 HZ1 LYS A 25 -5.096 0.846 -18.581 1.00 44.42 H new ATOM 0 HZ2 LYS A 25 -3.411 1.015 -18.702 1.00 44.42 H new ATOM 0 HZ3 LYS A 25 -4.074 -0.208 -17.728 1.00 44.42 H new ATOM 395 N GLU A 26 -2.021 0.637 -13.003 1.00 22.51 N ATOM 396 CA GLU A 26 -2.790 0.100 -11.887 1.00 3.22 C ATOM 397 C GLU A 26 -3.006 -1.402 -12.046 1.00 23.43 C ATOM 398 O GLU A 26 -4.102 -1.911 -11.812 1.00 15.54 O ATOM 399 CB GLU A 26 -4.141 0.812 -11.781 1.00 13.25 C ATOM 400 CG GLU A 26 -4.043 2.222 -11.223 1.00 41.34 C ATOM 401 CD GLU A 26 -5.265 2.615 -10.414 1.00 2.45 C ATOM 402 OE1 GLU A 26 -5.507 1.989 -9.361 1.00 11.42 O ATOM 403 OE2 GLU A 26 -5.979 3.550 -10.835 1.00 33.11 O ATOM 0 H GLU A 26 -2.103 0.103 -13.868 1.00 22.51 H new ATOM 0 HA GLU A 26 -2.223 0.272 -10.972 1.00 3.22 H new ATOM 0 HB2 GLU A 26 -4.600 0.852 -12.769 1.00 13.25 H new ATOM 0 HB3 GLU A 26 -4.803 0.224 -11.146 1.00 13.25 H new ATOM 0 HG2 GLU A 26 -3.156 2.299 -10.595 1.00 41.34 H new ATOM 0 HG3 GLU A 26 -3.914 2.926 -12.045 1.00 41.34 H new ATOM 410 N ASP A 27 -1.952 -2.105 -12.447 1.00 44.31 N ATOM 411 CA ASP A 27 -2.025 -3.549 -12.638 1.00 71.20 C ATOM 412 C ASP A 27 -2.508 -4.242 -11.367 1.00 4.52 C ATOM 413 O ASP A 27 -1.768 -4.352 -10.391 1.00 0.44 O ATOM 414 CB ASP A 27 -0.658 -4.100 -13.046 1.00 71.43 C ATOM 415 CG ASP A 27 -0.660 -5.610 -13.183 1.00 2.24 C ATOM 416 OD1 ASP A 27 -1.731 -6.177 -13.481 1.00 61.02 O ATOM 417 OD2 ASP A 27 0.411 -6.225 -12.991 1.00 51.53 O ATOM 0 H ASP A 27 -1.038 -1.699 -12.646 1.00 44.31 H new ATOM 0 HA ASP A 27 -2.742 -3.750 -13.434 1.00 71.20 H new ATOM 0 HB2 ASP A 27 -0.357 -3.653 -13.993 1.00 71.43 H new ATOM 0 HB3 ASP A 27 0.085 -3.806 -12.304 1.00 71.43 H new ATOM 422 N GLN A 28 -3.754 -4.704 -11.389 1.00 72.23 N ATOM 423 CA GLN A 28 -4.336 -5.384 -10.238 1.00 14.45 C ATOM 424 C GLN A 28 -4.532 -6.869 -10.525 1.00 51.24 C ATOM 425 O GLN A 28 -4.577 -7.288 -11.682 1.00 40.42 O ATOM 426 CB GLN A 28 -5.673 -4.744 -9.862 1.00 12.15 C ATOM 427 CG GLN A 28 -6.704 -4.790 -10.978 1.00 41.53 C ATOM 428 CD GLN A 28 -7.812 -5.789 -10.707 1.00 33.24 C ATOM 429 OE1 GLN A 28 -8.840 -5.450 -10.121 1.00 15.23 O ATOM 430 NE2 GLN A 28 -7.608 -7.030 -11.135 1.00 0.23 N ATOM 0 H GLN A 28 -4.379 -4.620 -12.190 1.00 72.23 H new ATOM 0 HA GLN A 28 -3.645 -5.282 -9.401 1.00 14.45 H new ATOM 0 HB2 GLN A 28 -6.076 -5.252 -8.985 1.00 12.15 H new ATOM 0 HB3 GLN A 28 -5.502 -3.705 -9.579 1.00 12.15 H new ATOM 0 HG2 GLN A 28 -7.138 -3.798 -11.108 1.00 41.53 H new ATOM 0 HG3 GLN A 28 -6.209 -5.047 -11.915 1.00 41.53 H new ATOM 0 HE21 GLN A 28 -6.741 -7.267 -11.616 1.00 0.23 H new ATOM 0 HE22 GLN A 28 -8.319 -7.745 -10.982 1.00 0.23 H new ATOM 439 N PHE A 29 -4.649 -7.661 -9.464 1.00 53.20 N ATOM 440 CA PHE A 29 -4.840 -9.100 -9.602 1.00 21.45 C ATOM 441 C PHE A 29 -5.943 -9.595 -8.671 1.00 13.03 C ATOM 442 O PHE A 29 -5.938 -10.749 -8.244 1.00 52.34 O ATOM 443 CB PHE A 29 -3.534 -9.840 -9.302 1.00 72.22 C ATOM 444 CG PHE A 29 -3.164 -9.839 -7.847 1.00 43.54 C ATOM 445 CD1 PHE A 29 -2.791 -8.664 -7.215 1.00 13.21 C ATOM 446 CD2 PHE A 29 -3.191 -11.012 -7.110 1.00 60.20 C ATOM 447 CE1 PHE A 29 -2.451 -8.658 -5.875 1.00 71.31 C ATOM 448 CE2 PHE A 29 -2.852 -11.013 -5.770 1.00 50.24 C ATOM 449 CZ PHE A 29 -2.480 -9.835 -5.152 1.00 51.30 C ATOM 0 H PHE A 29 -4.615 -7.331 -8.500 1.00 53.20 H new ATOM 0 HA PHE A 29 -5.138 -9.304 -10.630 1.00 21.45 H new ATOM 0 HB2 PHE A 29 -3.623 -10.871 -9.645 1.00 72.22 H new ATOM 0 HB3 PHE A 29 -2.727 -9.382 -9.874 1.00 72.22 H new ATOM 0 HD1 PHE A 29 -2.766 -7.741 -7.776 1.00 13.21 H new ATOM 0 HD2 PHE A 29 -3.480 -11.936 -7.588 1.00 60.20 H new ATOM 0 HE1 PHE A 29 -2.163 -7.735 -5.394 1.00 71.31 H new ATOM 0 HE2 PHE A 29 -2.878 -11.934 -5.207 1.00 50.24 H new ATOM 0 HZ PHE A 29 -2.212 -9.834 -4.106 1.00 51.30 H new ATOM 459 N TYR A 30 -6.885 -8.712 -8.361 1.00 43.52 N ATOM 460 CA TYR A 30 -7.994 -9.057 -7.478 1.00 2.34 C ATOM 461 C TYR A 30 -9.322 -8.578 -8.058 1.00 1.14 C ATOM 462 O TYR A 30 -9.355 -7.922 -9.098 1.00 42.23 O ATOM 463 CB TYR A 30 -7.780 -8.443 -6.093 1.00 33.12 C ATOM 464 CG TYR A 30 -8.008 -6.949 -6.050 1.00 33.43 C ATOM 465 CD1 TYR A 30 -6.990 -6.062 -6.380 1.00 23.11 C ATOM 466 CD2 TYR A 30 -9.239 -6.424 -5.679 1.00 71.11 C ATOM 467 CE1 TYR A 30 -7.193 -4.696 -6.342 1.00 24.42 C ATOM 468 CE2 TYR A 30 -9.451 -5.059 -5.640 1.00 72.22 C ATOM 469 CZ TYR A 30 -8.425 -4.200 -5.972 1.00 1.23 C ATOM 470 OH TYR A 30 -8.632 -2.840 -5.932 1.00 41.03 O ATOM 0 H TYR A 30 -6.904 -7.753 -8.707 1.00 43.52 H new ATOM 0 HA TYR A 30 -8.028 -10.143 -7.387 1.00 2.34 H new ATOM 0 HB2 TYR A 30 -8.453 -8.925 -5.383 1.00 33.12 H new ATOM 0 HB3 TYR A 30 -6.763 -8.656 -5.764 1.00 33.12 H new ATOM 0 HD1 TYR A 30 -6.024 -6.447 -6.671 1.00 23.11 H new ATOM 0 HD2 TYR A 30 -10.044 -7.094 -5.416 1.00 71.11 H new ATOM 0 HE1 TYR A 30 -6.391 -4.020 -6.601 1.00 24.42 H new ATOM 0 HE2 TYR A 30 -10.415 -4.667 -5.351 1.00 72.22 H new ATOM 0 HH TYR A 30 -9.554 -2.657 -5.653 1.00 41.03 H new ATOM 480 N GLU A 31 -10.412 -8.912 -7.376 1.00 52.14 N ATOM 481 CA GLU A 31 -11.743 -8.517 -7.824 1.00 51.31 C ATOM 482 C GLU A 31 -12.472 -7.731 -6.737 1.00 34.11 C ATOM 483 O GLU A 31 -13.206 -6.785 -7.025 1.00 34.14 O ATOM 484 CB GLU A 31 -12.561 -9.751 -8.212 1.00 4.42 C ATOM 485 CG GLU A 31 -12.463 -10.887 -7.208 1.00 1.22 C ATOM 486 CD GLU A 31 -11.746 -12.099 -7.768 1.00 30.33 C ATOM 487 OE1 GLU A 31 -10.497 -12.121 -7.727 1.00 5.43 O ATOM 488 OE2 GLU A 31 -12.431 -13.027 -8.247 1.00 14.13 O ATOM 0 H GLU A 31 -10.401 -9.454 -6.512 1.00 52.14 H new ATOM 0 HA GLU A 31 -11.629 -7.875 -8.698 1.00 51.31 H new ATOM 0 HB2 GLU A 31 -13.607 -9.463 -8.322 1.00 4.42 H new ATOM 0 HB3 GLU A 31 -12.225 -10.108 -9.186 1.00 4.42 H new ATOM 0 HG2 GLU A 31 -11.938 -10.537 -6.319 1.00 1.22 H new ATOM 0 HG3 GLU A 31 -13.466 -11.176 -6.893 1.00 1.22 H new ATOM 495 N THR A 32 -12.263 -8.129 -5.486 1.00 54.22 N ATOM 496 CA THR A 32 -12.900 -7.465 -4.356 1.00 40.23 C ATOM 497 C THR A 32 -12.292 -7.922 -3.035 1.00 51.03 C ATOM 498 O THR A 32 -12.963 -7.935 -2.003 1.00 42.12 O ATOM 499 CB THR A 32 -14.417 -7.731 -4.330 1.00 61.32 C ATOM 500 OG1 THR A 32 -15.044 -6.901 -3.346 1.00 22.14 O ATOM 501 CG2 THR A 32 -14.704 -9.193 -4.023 1.00 32.53 C ATOM 0 H THR A 32 -11.657 -8.909 -5.230 1.00 54.22 H new ATOM 0 HA THR A 32 -12.729 -6.396 -4.480 1.00 40.23 H new ATOM 0 HB THR A 32 -14.821 -7.495 -5.314 1.00 61.32 H new ATOM 0 HG1 THR A 32 -14.573 -6.994 -2.492 1.00 22.14 H new ATOM 0 HG21 THR A 32 -15.781 -9.357 -4.010 1.00 32.53 H new ATOM 0 HG22 THR A 32 -14.250 -9.822 -4.789 1.00 32.53 H new ATOM 0 HG23 THR A 32 -14.286 -9.449 -3.049 1.00 32.53 H new ATOM 509 N ASP A 33 -11.018 -8.296 -3.074 1.00 0.34 N ATOM 510 CA ASP A 33 -10.318 -8.752 -1.878 1.00 61.13 C ATOM 511 C ASP A 33 -8.812 -8.562 -2.024 1.00 51.21 C ATOM 512 O ASP A 33 -8.055 -9.517 -2.198 1.00 55.01 O ATOM 513 CB ASP A 33 -10.635 -10.224 -1.607 1.00 54.25 C ATOM 514 CG ASP A 33 -10.354 -10.621 -0.171 1.00 44.13 C ATOM 515 OD1 ASP A 33 -11.209 -10.348 0.698 1.00 40.34 O ATOM 516 OD2 ASP A 33 -9.281 -11.205 0.083 1.00 51.44 O ATOM 0 H ASP A 33 -10.449 -8.293 -3.920 1.00 0.34 H new ATOM 0 HA ASP A 33 -10.661 -8.153 -1.035 1.00 61.13 H new ATOM 0 HB2 ASP A 33 -11.684 -10.415 -1.835 1.00 54.25 H new ATOM 0 HB3 ASP A 33 -10.044 -10.849 -2.276 1.00 54.25 H new ATOM 521 N PRO A 34 -8.365 -7.300 -1.955 1.00 54.53 N ATOM 522 CA PRO A 34 -6.946 -6.954 -2.077 1.00 73.11 C ATOM 523 C PRO A 34 -6.131 -7.413 -0.872 1.00 42.23 C ATOM 524 O PRO A 34 -6.168 -6.787 0.188 1.00 52.54 O ATOM 525 CB PRO A 34 -6.959 -5.426 -2.163 1.00 22.02 C ATOM 526 CG PRO A 34 -8.216 -5.018 -1.476 1.00 54.11 C ATOM 527 CD PRO A 34 -9.211 -6.112 -1.751 1.00 53.33 C ATOM 0 HA PRO A 34 -6.481 -7.439 -2.935 1.00 73.11 H new ATOM 0 HB2 PRO A 34 -6.084 -4.995 -1.676 1.00 22.02 H new ATOM 0 HB3 PRO A 34 -6.947 -5.088 -3.199 1.00 22.02 H new ATOM 0 HG2 PRO A 34 -8.054 -4.898 -0.405 1.00 54.11 H new ATOM 0 HG3 PRO A 34 -8.574 -4.060 -1.854 1.00 54.11 H new ATOM 0 HD2 PRO A 34 -9.900 -6.248 -0.917 1.00 53.33 H new ATOM 0 HD3 PRO A 34 -9.816 -5.893 -2.631 1.00 53.33 H new ATOM 535 N ILE A 35 -5.397 -8.507 -1.042 1.00 32.22 N ATOM 536 CA ILE A 35 -4.572 -9.047 0.032 1.00 51.32 C ATOM 537 C ILE A 35 -3.263 -9.608 -0.510 1.00 11.24 C ATOM 538 O ILE A 35 -3.240 -10.271 -1.548 1.00 10.24 O ATOM 539 CB ILE A 35 -5.312 -10.155 0.806 1.00 35.20 C ATOM 540 CG1 ILE A 35 -5.732 -11.277 -0.145 1.00 32.32 C ATOM 541 CG2 ILE A 35 -6.523 -9.581 1.526 1.00 64.21 C ATOM 542 CD1 ILE A 35 -4.956 -12.561 0.055 1.00 53.35 C ATOM 0 H ILE A 35 -5.356 -9.037 -1.913 1.00 32.22 H new ATOM 0 HA ILE A 35 -4.357 -8.222 0.711 1.00 51.32 H new ATOM 0 HB ILE A 35 -4.635 -10.571 1.552 1.00 35.20 H new ATOM 0 HG12 ILE A 35 -6.794 -11.479 -0.009 1.00 32.32 H new ATOM 0 HG13 ILE A 35 -5.601 -10.939 -1.173 1.00 32.32 H new ATOM 0 HG21 ILE A 35 -7.035 -10.376 2.068 1.00 64.21 H new ATOM 0 HG22 ILE A 35 -6.199 -8.814 2.229 1.00 64.21 H new ATOM 0 HG23 ILE A 35 -7.205 -9.141 0.798 1.00 64.21 H new ATOM 0 HD11 ILE A 35 -5.307 -13.312 -0.653 1.00 53.35 H new ATOM 0 HD12 ILE A 35 -3.895 -12.374 -0.110 1.00 53.35 H new ATOM 0 HD13 ILE A 35 -5.107 -12.923 1.072 1.00 53.35 H new ATOM 554 N LEU A 36 -2.172 -9.340 0.201 1.00 71.25 N ATOM 555 CA LEU A 36 -0.856 -9.820 -0.207 1.00 21.24 C ATOM 556 C LEU A 36 -0.329 -10.864 0.771 1.00 54.35 C ATOM 557 O LEU A 36 0.881 -11.028 0.928 1.00 64.13 O ATOM 558 CB LEU A 36 0.127 -8.652 -0.303 1.00 3.42 C ATOM 559 CG LEU A 36 0.951 -8.571 -1.589 1.00 75.11 C ATOM 560 CD1 LEU A 36 1.873 -9.775 -1.708 1.00 11.33 C ATOM 561 CD2 LEU A 36 0.037 -8.475 -2.802 1.00 35.51 C ATOM 0 H LEU A 36 -2.173 -8.793 1.062 1.00 71.25 H new ATOM 0 HA LEU A 36 -0.955 -10.286 -1.188 1.00 21.24 H new ATOM 0 HB2 LEU A 36 -0.432 -7.723 -0.195 1.00 3.42 H new ATOM 0 HB3 LEU A 36 0.814 -8.711 0.541 1.00 3.42 H new ATOM 0 HG LEU A 36 1.565 -7.671 -1.549 1.00 75.11 H new ATOM 0 HD11 LEU A 36 2.452 -9.701 -2.629 1.00 11.33 H new ATOM 0 HD12 LEU A 36 2.551 -9.800 -0.855 1.00 11.33 H new ATOM 0 HD13 LEU A 36 1.278 -10.688 -1.726 1.00 11.33 H new ATOM 0 HD21 LEU A 36 0.640 -8.418 -3.708 1.00 35.51 H new ATOM 0 HD22 LEU A 36 -0.603 -9.357 -2.846 1.00 35.51 H new ATOM 0 HD23 LEU A 36 -0.582 -7.581 -2.721 1.00 35.51 H new ATOM 573 N ARG A 37 -1.245 -11.568 1.427 1.00 52.14 N ATOM 574 CA ARG A 37 -0.874 -12.598 2.390 1.00 13.52 C ATOM 575 C ARG A 37 -0.879 -13.977 1.741 1.00 74.13 C ATOM 576 O ARG A 37 -0.180 -14.887 2.185 1.00 41.10 O ATOM 577 CB ARG A 37 -1.831 -12.579 3.584 1.00 73.34 C ATOM 578 CG ARG A 37 -2.084 -11.187 4.141 1.00 72.25 C ATOM 579 CD ARG A 37 -3.136 -11.210 5.239 1.00 21.43 C ATOM 580 NE ARG A 37 -3.923 -9.980 5.268 1.00 41.10 N ATOM 581 CZ ARG A 37 -3.439 -8.807 5.661 1.00 21.53 C ATOM 582 NH1 ARG A 37 -2.177 -8.706 6.054 1.00 50.10 N ATOM 583 NH2 ARG A 37 -4.217 -7.733 5.659 1.00 41.03 N ATOM 0 H ARG A 37 -2.251 -11.444 1.309 1.00 52.14 H new ATOM 0 HA ARG A 37 0.136 -12.385 2.740 1.00 13.52 H new ATOM 0 HB2 ARG A 37 -2.782 -13.019 3.284 1.00 73.34 H new ATOM 0 HB3 ARG A 37 -1.424 -13.209 4.375 1.00 73.34 H new ATOM 0 HG2 ARG A 37 -1.154 -10.777 4.535 1.00 72.25 H new ATOM 0 HG3 ARG A 37 -2.409 -10.526 3.338 1.00 72.25 H new ATOM 0 HD2 ARG A 37 -3.799 -12.061 5.088 1.00 21.43 H new ATOM 0 HD3 ARG A 37 -2.650 -11.352 6.204 1.00 21.43 H new ATOM 0 HE ARG A 37 -4.898 -10.024 4.970 1.00 41.10 H new ATOM 0 HH11 ARG A 37 -1.576 -9.530 6.055 1.00 50.10 H new ATOM 0 HH12 ARG A 37 -1.807 -7.804 6.355 1.00 50.10 H new ATOM 0 HH21 ARG A 37 -5.188 -7.807 5.356 1.00 41.03 H new ATOM 0 HH22 ARG A 37 -3.844 -6.833 5.961 1.00 41.03 H new ATOM 597 N GLY A 38 -1.676 -14.127 0.686 1.00 31.25 N ATOM 598 CA GLY A 38 -1.758 -15.399 -0.008 1.00 11.22 C ATOM 599 C GLY A 38 -0.400 -15.910 -0.445 1.00 23.30 C ATOM 600 O GLY A 38 -0.169 -17.118 -0.496 1.00 45.52 O ATOM 0 H GLY A 38 -2.266 -13.390 0.300 1.00 31.25 H new ATOM 0 HA2 GLY A 38 -2.227 -16.136 0.644 1.00 11.22 H new ATOM 0 HA3 GLY A 38 -2.401 -15.292 -0.882 1.00 11.22 H new ATOM 604 N GLY A 39 0.503 -14.987 -0.766 1.00 14.22 N ATOM 605 CA GLY A 39 1.834 -15.371 -1.199 1.00 32.02 C ATOM 606 C GLY A 39 2.642 -16.014 -0.089 1.00 4.23 C ATOM 607 O GLY A 39 3.235 -17.075 -0.280 1.00 33.42 O ATOM 0 H GLY A 39 0.336 -13.981 -0.734 1.00 14.22 H new ATOM 0 HA2 GLY A 39 1.754 -16.065 -2.035 1.00 32.02 H new ATOM 0 HA3 GLY A 39 2.362 -14.490 -1.565 1.00 32.02 H new ATOM 611 N ASP A 40 2.669 -15.369 1.071 1.00 51.25 N ATOM 612 CA ASP A 40 3.411 -15.884 2.216 1.00 4.22 C ATOM 613 C ASP A 40 4.900 -15.976 1.900 1.00 22.30 C ATOM 614 O ASP A 40 5.372 -16.983 1.371 1.00 1.35 O ATOM 615 CB ASP A 40 2.877 -17.260 2.621 1.00 3.44 C ATOM 616 CG ASP A 40 3.401 -17.709 3.971 1.00 63.34 C ATOM 617 OD1 ASP A 40 3.916 -16.855 4.722 1.00 41.00 O ATOM 618 OD2 ASP A 40 3.293 -18.915 4.276 1.00 42.41 O ATOM 0 H ASP A 40 2.185 -14.488 1.244 1.00 51.25 H new ATOM 0 HA ASP A 40 3.275 -15.192 3.047 1.00 4.22 H new ATOM 0 HB2 ASP A 40 1.788 -17.230 2.649 1.00 3.44 H new ATOM 0 HB3 ASP A 40 3.157 -17.993 1.864 1.00 3.44 H new ATOM 623 N VAL A 41 5.636 -14.918 2.228 1.00 33.33 N ATOM 624 CA VAL A 41 7.073 -14.879 1.979 1.00 53.23 C ATOM 625 C VAL A 41 7.814 -15.851 2.891 1.00 61.34 C ATOM 626 O VAL A 41 8.868 -16.377 2.530 1.00 3.50 O ATOM 627 CB VAL A 41 7.640 -13.462 2.187 1.00 75.13 C ATOM 628 CG1 VAL A 41 7.476 -13.029 3.635 1.00 53.25 C ATOM 629 CG2 VAL A 41 9.101 -13.407 1.767 1.00 52.25 C ATOM 0 H VAL A 41 5.261 -14.077 2.667 1.00 33.33 H new ATOM 0 HA VAL A 41 7.224 -15.173 0.940 1.00 53.23 H new ATOM 0 HB VAL A 41 7.079 -12.769 1.560 1.00 75.13 H new ATOM 0 HG11 VAL A 41 7.882 -12.026 3.763 1.00 53.25 H new ATOM 0 HG12 VAL A 41 6.418 -13.028 3.897 1.00 53.25 H new ATOM 0 HG13 VAL A 41 8.010 -13.722 4.285 1.00 53.25 H new ATOM 0 HG21 VAL A 41 9.486 -12.399 1.920 1.00 52.25 H new ATOM 0 HG22 VAL A 41 9.679 -14.111 2.366 1.00 52.25 H new ATOM 0 HG23 VAL A 41 9.187 -13.672 0.713 1.00 52.25 H new ATOM 639 N LYS A 42 7.257 -16.086 4.074 1.00 22.14 N ATOM 640 CA LYS A 42 7.864 -16.996 5.038 1.00 30.32 C ATOM 641 C LYS A 42 9.273 -16.540 5.403 1.00 34.03 C ATOM 642 O LYS A 42 10.254 -17.218 5.098 1.00 63.40 O ATOM 643 CB LYS A 42 7.907 -18.417 4.473 1.00 21.11 C ATOM 644 CG LYS A 42 8.240 -19.475 5.510 1.00 30.14 C ATOM 645 CD LYS A 42 9.596 -20.108 5.245 1.00 55.12 C ATOM 646 CE LYS A 42 9.647 -21.544 5.744 1.00 53.42 C ATOM 647 NZ LYS A 42 9.581 -21.617 7.230 1.00 32.14 N ATOM 0 H LYS A 42 6.386 -15.659 4.388 1.00 22.14 H new ATOM 0 HA LYS A 42 7.253 -16.989 5.941 1.00 30.32 H new ATOM 0 HB2 LYS A 42 6.941 -18.650 4.026 1.00 21.11 H new ATOM 0 HB3 LYS A 42 8.647 -18.459 3.673 1.00 21.11 H new ATOM 0 HG2 LYS A 42 8.235 -19.026 6.503 1.00 30.14 H new ATOM 0 HG3 LYS A 42 7.470 -20.246 5.504 1.00 30.14 H new ATOM 0 HD2 LYS A 42 9.807 -20.085 4.176 1.00 55.12 H new ATOM 0 HD3 LYS A 42 10.374 -19.523 5.736 1.00 55.12 H new ATOM 0 HE2 LYS A 42 8.818 -22.107 5.315 1.00 53.42 H new ATOM 0 HE3 LYS A 42 10.566 -22.017 5.398 1.00 53.42 H new ATOM 0 HZ1 LYS A 42 9.618 -22.612 7.531 1.00 32.14 H new ATOM 0 HZ2 LYS A 42 10.386 -21.101 7.639 1.00 32.14 H new ATOM 0 HZ3 LYS A 42 8.692 -21.189 7.559 1.00 32.14 H new ATOM 661 N SER A 43 9.366 -15.390 6.062 1.00 1.53 N ATOM 662 CA SER A 43 10.656 -14.843 6.468 1.00 61.53 C ATOM 663 C SER A 43 10.649 -14.476 7.949 1.00 24.43 C ATOM 664 O SER A 43 11.433 -15.008 8.735 1.00 63.52 O ATOM 665 CB SER A 43 10.999 -13.612 5.626 1.00 15.20 C ATOM 666 OG SER A 43 11.724 -13.974 4.464 1.00 12.12 O ATOM 0 H SER A 43 8.564 -14.818 6.326 1.00 1.53 H new ATOM 0 HA SER A 43 11.415 -15.608 6.306 1.00 61.53 H new ATOM 0 HB2 SER A 43 10.082 -13.096 5.340 1.00 15.20 H new ATOM 0 HB3 SER A 43 11.586 -12.913 6.221 1.00 15.20 H new ATOM 0 HG SER A 43 11.929 -13.170 3.943 1.00 12.12 H new ATOM 672 N SER A 44 9.759 -13.562 8.321 1.00 72.14 N ATOM 673 CA SER A 44 9.651 -13.119 9.706 1.00 34.51 C ATOM 674 C SER A 44 8.355 -12.347 9.931 1.00 63.31 C ATOM 675 O SER A 44 7.667 -11.978 8.981 1.00 23.24 O ATOM 676 CB SER A 44 10.851 -12.246 10.079 1.00 44.22 C ATOM 677 OG SER A 44 11.373 -11.584 8.940 1.00 72.01 O ATOM 0 H SER A 44 9.102 -13.114 7.682 1.00 72.14 H new ATOM 0 HA SER A 44 9.641 -14.002 10.344 1.00 34.51 H new ATOM 0 HB2 SER A 44 10.552 -11.511 10.826 1.00 44.22 H new ATOM 0 HB3 SER A 44 11.627 -12.863 10.532 1.00 44.22 H new ATOM 0 HG SER A 44 12.138 -11.031 9.205 1.00 72.01 H new ATOM 683 N GLY A 45 8.028 -12.107 11.196 1.00 55.13 N ATOM 684 CA GLY A 45 6.816 -11.380 11.525 1.00 40.24 C ATOM 685 C GLY A 45 6.952 -9.889 11.292 1.00 25.33 C ATOM 686 O GLY A 45 7.849 -9.446 10.575 1.00 35.35 O ATOM 0 H GLY A 45 8.581 -12.403 12.000 1.00 55.13 H new ATOM 0 HA2 GLY A 45 5.991 -11.764 10.925 1.00 40.24 H new ATOM 0 HA3 GLY A 45 6.561 -11.559 12.569 1.00 40.24 H new ATOM 690 N SER A 46 6.059 -9.112 11.896 1.00 41.35 N ATOM 691 CA SER A 46 6.081 -7.662 11.746 1.00 45.32 C ATOM 692 C SER A 46 7.041 -7.027 12.746 1.00 43.44 C ATOM 693 O SER A 46 7.827 -6.145 12.398 1.00 62.33 O ATOM 694 CB SER A 46 4.675 -7.088 11.934 1.00 12.20 C ATOM 695 OG SER A 46 3.810 -7.501 10.890 1.00 15.11 O ATOM 0 H SER A 46 5.311 -9.463 12.494 1.00 41.35 H new ATOM 0 HA SER A 46 6.428 -7.430 10.739 1.00 45.32 H new ATOM 0 HB2 SER A 46 4.272 -7.412 12.894 1.00 12.20 H new ATOM 0 HB3 SER A 46 4.724 -5.999 11.960 1.00 12.20 H new ATOM 0 HG SER A 46 2.918 -7.122 11.035 1.00 15.11 H new ATOM 701 N THR A 47 6.971 -7.480 13.994 1.00 61.22 N ATOM 702 CA THR A 47 7.832 -6.956 15.047 1.00 51.14 C ATOM 703 C THR A 47 7.772 -5.434 15.100 1.00 72.04 C ATOM 704 O THR A 47 6.944 -4.812 14.433 1.00 75.15 O ATOM 705 CB THR A 47 9.295 -7.395 14.846 1.00 1.43 C ATOM 706 OG1 THR A 47 9.912 -6.591 13.834 1.00 62.31 O ATOM 707 CG2 THR A 47 9.371 -8.862 14.453 1.00 32.41 C ATOM 0 H THR A 47 6.327 -8.209 14.300 1.00 61.22 H new ATOM 0 HA THR A 47 7.464 -7.364 15.989 1.00 51.14 H new ATOM 0 HB THR A 47 9.825 -7.261 15.789 1.00 1.43 H new ATOM 0 HG1 THR A 47 9.365 -6.612 13.021 1.00 62.31 H new ATOM 0 HG21 THR A 47 10.414 -9.149 14.317 1.00 32.41 H new ATOM 0 HG22 THR A 47 8.927 -9.473 15.239 1.00 32.41 H new ATOM 0 HG23 THR A 47 8.827 -9.018 13.521 1.00 32.41 H new ATOM 715 N SER A 48 8.654 -4.839 15.897 1.00 22.45 N ATOM 716 CA SER A 48 8.699 -3.388 16.039 1.00 32.11 C ATOM 717 C SER A 48 9.890 -2.963 16.892 1.00 23.15 C ATOM 718 O SER A 48 10.523 -3.787 17.549 1.00 13.04 O ATOM 719 CB SER A 48 7.400 -2.876 16.665 1.00 35.45 C ATOM 720 OG SER A 48 7.426 -3.011 18.075 1.00 52.55 O ATOM 0 H SER A 48 9.347 -5.339 16.454 1.00 22.45 H new ATOM 0 HA SER A 48 8.812 -2.953 15.046 1.00 32.11 H new ATOM 0 HB2 SER A 48 7.252 -1.829 16.399 1.00 35.45 H new ATOM 0 HB3 SER A 48 6.554 -3.430 16.259 1.00 35.45 H new ATOM 0 HG SER A 48 6.586 -2.675 18.451 1.00 52.55 H new ATOM 726 N GLY A 49 10.190 -1.667 16.874 1.00 73.13 N ATOM 727 CA GLY A 49 11.304 -1.154 17.648 1.00 42.32 C ATOM 728 C GLY A 49 12.524 -0.873 16.793 1.00 1.41 C ATOM 729 O GLY A 49 13.407 -1.721 16.660 1.00 51.44 O ATOM 0 H GLY A 49 9.681 -0.965 16.337 1.00 73.13 H new ATOM 0 HA2 GLY A 49 11.000 -0.238 18.154 1.00 42.32 H new ATOM 0 HA3 GLY A 49 11.566 -1.874 18.423 1.00 42.32 H new ATOM 733 N LYS A 50 12.575 0.320 16.211 1.00 3.11 N ATOM 734 CA LYS A 50 13.695 0.711 15.364 1.00 22.32 C ATOM 735 C LYS A 50 14.600 1.707 16.083 1.00 63.13 C ATOM 736 O LYS A 50 15.744 1.395 16.413 1.00 13.35 O ATOM 737 CB LYS A 50 13.184 1.322 14.056 1.00 53.34 C ATOM 738 CG LYS A 50 12.443 0.334 13.173 1.00 3.52 C ATOM 739 CD LYS A 50 11.714 1.037 12.040 1.00 41.52 C ATOM 740 CE LYS A 50 10.914 0.056 11.198 1.00 22.15 C ATOM 741 NZ LYS A 50 11.728 -0.514 10.089 1.00 33.43 N ATOM 0 H LYS A 50 11.853 1.033 16.311 1.00 3.11 H new ATOM 0 HA LYS A 50 14.276 -0.183 15.138 1.00 22.32 H new ATOM 0 HB2 LYS A 50 12.522 2.156 14.289 1.00 53.34 H new ATOM 0 HB3 LYS A 50 14.029 1.730 13.501 1.00 53.34 H new ATOM 0 HG2 LYS A 50 13.149 -0.387 12.761 1.00 3.52 H new ATOM 0 HG3 LYS A 50 11.728 -0.227 13.774 1.00 3.52 H new ATOM 0 HD2 LYS A 50 11.046 1.795 12.450 1.00 41.52 H new ATOM 0 HD3 LYS A 50 12.435 1.556 11.409 1.00 41.52 H new ATOM 0 HE2 LYS A 50 10.547 -0.752 11.832 1.00 22.15 H new ATOM 0 HE3 LYS A 50 10.040 0.560 10.785 1.00 22.15 H new ATOM 0 HZ1 LYS A 50 11.147 -1.178 9.538 1.00 33.43 H new ATOM 0 HZ2 LYS A 50 12.057 0.254 9.470 1.00 33.43 H new ATOM 0 HZ3 LYS A 50 12.549 -1.017 10.484 1.00 33.43 H new ATOM 755 N LYS A 51 14.080 2.905 16.323 1.00 44.55 N ATOM 756 CA LYS A 51 14.838 3.946 17.006 1.00 33.34 C ATOM 757 C LYS A 51 13.937 5.116 17.388 1.00 64.52 C ATOM 758 O LYS A 51 12.851 5.282 16.832 1.00 55.21 O ATOM 759 CB LYS A 51 15.981 4.439 16.116 1.00 12.15 C ATOM 760 CG LYS A 51 15.516 5.009 14.787 1.00 13.52 C ATOM 761 CD LYS A 51 15.861 4.084 13.632 1.00 42.44 C ATOM 762 CE LYS A 51 17.331 4.185 13.257 1.00 75.54 C ATOM 763 NZ LYS A 51 17.515 4.602 11.840 1.00 51.34 N ATOM 0 H LYS A 51 13.135 3.180 16.054 1.00 44.55 H new ATOM 0 HA LYS A 51 15.253 3.518 17.919 1.00 33.34 H new ATOM 0 HB2 LYS A 51 16.544 5.203 16.652 1.00 12.15 H new ATOM 0 HB3 LYS A 51 16.666 3.612 15.927 1.00 12.15 H new ATOM 0 HG2 LYS A 51 14.438 5.170 14.816 1.00 13.52 H new ATOM 0 HG3 LYS A 51 15.979 5.982 14.626 1.00 13.52 H new ATOM 0 HD2 LYS A 51 15.624 3.056 13.905 1.00 42.44 H new ATOM 0 HD3 LYS A 51 15.246 4.334 12.768 1.00 42.44 H new ATOM 0 HE2 LYS A 51 17.825 4.902 13.913 1.00 75.54 H new ATOM 0 HE3 LYS A 51 17.814 3.221 13.417 1.00 75.54 H new ATOM 0 HZ1 LYS A 51 18.531 4.659 11.624 1.00 51.34 H new ATOM 0 HZ2 LYS A 51 17.066 3.905 11.212 1.00 51.34 H new ATOM 0 HZ3 LYS A 51 17.077 5.534 11.693 1.00 51.34 H new ATOM 777 N GLY A 52 14.394 5.925 18.338 1.00 42.21 N ATOM 778 CA GLY A 52 13.617 7.069 18.776 1.00 43.31 C ATOM 779 C GLY A 52 13.961 8.331 18.011 1.00 1.24 C ATOM 780 O GLY A 52 13.083 8.989 17.456 1.00 43.51 O ATOM 0 H GLY A 52 15.289 5.808 18.813 1.00 42.21 H new ATOM 0 HA2 GLY A 52 12.556 6.852 18.654 1.00 43.31 H new ATOM 0 HA3 GLY A 52 13.788 7.235 19.840 1.00 43.31 H new ATOM 784 N GLY A 53 15.247 8.672 17.983 1.00 40.51 N ATOM 785 CA GLY A 53 15.683 9.865 17.280 1.00 60.11 C ATOM 786 C GLY A 53 16.678 10.679 18.082 1.00 63.23 C ATOM 787 O GLY A 53 17.415 11.495 17.526 1.00 34.42 O ATOM 0 H GLY A 53 15.994 8.144 18.434 1.00 40.51 H new ATOM 0 HA2 GLY A 53 16.134 9.579 16.330 1.00 60.11 H new ATOM 0 HA3 GLY A 53 14.816 10.483 17.047 1.00 60.11 H new ATOM 791 N THR A 54 16.700 10.460 19.393 1.00 21.54 N ATOM 792 CA THR A 54 17.611 11.182 20.272 1.00 71.14 C ATOM 793 C THR A 54 17.396 12.688 20.169 1.00 34.11 C ATOM 794 O THR A 54 18.306 13.475 20.435 1.00 62.32 O ATOM 795 CB THR A 54 19.082 10.860 19.946 1.00 44.25 C ATOM 796 OG1 THR A 54 19.153 9.724 19.077 1.00 53.52 O ATOM 797 CG2 THR A 54 19.869 10.583 21.217 1.00 15.41 C ATOM 0 H THR A 54 16.097 9.789 19.869 1.00 21.54 H new ATOM 0 HA THR A 54 17.394 10.855 21.289 1.00 71.14 H new ATOM 0 HB THR A 54 19.520 11.725 19.448 1.00 44.25 H new ATOM 0 HG1 THR A 54 20.091 9.526 18.873 1.00 53.52 H new ATOM 0 HG21 THR A 54 20.905 10.358 20.962 1.00 15.41 H new ATOM 0 HG22 THR A 54 19.837 11.460 21.863 1.00 15.41 H new ATOM 0 HG23 THR A 54 19.431 9.732 21.738 1.00 15.41 H new ATOM 805 N THR A 55 16.188 13.084 19.781 1.00 35.24 N ATOM 806 CA THR A 55 15.855 14.496 19.642 1.00 54.31 C ATOM 807 C THR A 55 16.876 15.219 18.772 1.00 13.35 C ATOM 808 O THR A 55 17.274 16.345 19.070 1.00 13.12 O ATOM 809 CB THR A 55 15.782 15.194 21.014 1.00 42.03 C ATOM 810 OG1 THR A 55 15.500 14.233 22.038 1.00 32.40 O ATOM 811 CG2 THR A 55 14.709 16.272 21.016 1.00 62.34 C ATOM 0 H THR A 55 15.424 12.446 19.557 1.00 35.24 H new ATOM 0 HA THR A 55 14.876 14.544 19.165 1.00 54.31 H new ATOM 0 HB THR A 55 16.746 15.662 21.210 1.00 42.03 H new ATOM 0 HG1 THR A 55 15.457 14.684 22.907 1.00 32.40 H new ATOM 0 HG21 THR A 55 14.676 16.751 21.995 1.00 62.34 H new ATOM 0 HG22 THR A 55 14.941 17.017 20.255 1.00 62.34 H new ATOM 0 HG23 THR A 55 13.740 15.822 20.800 1.00 62.34 H new ATOM 819 N SER A 56 17.297 14.565 17.694 1.00 73.14 N ATOM 820 CA SER A 56 18.275 15.145 16.781 1.00 30.41 C ATOM 821 C SER A 56 18.236 14.444 15.426 1.00 54.12 C ATOM 822 O SER A 56 18.921 13.445 15.211 1.00 50.11 O ATOM 823 CB SER A 56 19.681 15.048 17.378 1.00 64.11 C ATOM 824 OG SER A 56 20.523 16.066 16.865 1.00 34.45 O ATOM 0 H SER A 56 16.976 13.633 17.432 1.00 73.14 H new ATOM 0 HA SER A 56 18.021 16.195 16.635 1.00 30.41 H new ATOM 0 HB2 SER A 56 19.625 15.130 18.463 1.00 64.11 H new ATOM 0 HB3 SER A 56 20.108 14.071 17.154 1.00 64.11 H new ATOM 0 HG SER A 56 21.415 15.984 17.263 1.00 34.45 H new ATOM 830 N GLY A 57 17.427 14.977 14.515 1.00 71.43 N ATOM 831 CA GLY A 57 17.312 14.391 13.192 1.00 72.31 C ATOM 832 C GLY A 57 17.404 15.426 12.089 1.00 11.32 C ATOM 833 O GLY A 57 16.457 16.176 11.850 1.00 34.15 O ATOM 0 H GLY A 57 16.850 15.804 14.669 1.00 71.43 H new ATOM 0 HA2 GLY A 57 18.100 13.650 13.057 1.00 72.31 H new ATOM 0 HA3 GLY A 57 16.361 13.864 13.113 1.00 72.31 H new ATOM 837 N LYS A 58 18.548 15.470 11.415 1.00 33.43 N ATOM 838 CA LYS A 58 18.762 16.421 10.332 1.00 64.51 C ATOM 839 C LYS A 58 18.625 17.855 10.832 1.00 22.14 C ATOM 840 O LYS A 58 17.519 18.389 10.924 1.00 11.03 O ATOM 841 CB LYS A 58 17.766 16.168 9.198 1.00 54.03 C ATOM 842 CG LYS A 58 18.336 16.431 7.816 1.00 3.30 C ATOM 843 CD LYS A 58 19.208 15.280 7.343 1.00 75.32 C ATOM 844 CE LYS A 58 20.506 15.779 6.729 1.00 71.41 C ATOM 845 NZ LYS A 58 20.442 15.808 5.241 1.00 50.54 N ATOM 0 H LYS A 58 19.342 14.857 11.600 1.00 33.43 H new ATOM 0 HA LYS A 58 19.775 16.281 9.955 1.00 64.51 H new ATOM 0 HB2 LYS A 58 17.425 15.134 9.250 1.00 54.03 H new ATOM 0 HB3 LYS A 58 16.891 16.801 9.347 1.00 54.03 H new ATOM 0 HG2 LYS A 58 17.521 16.585 7.109 1.00 3.30 H new ATOM 0 HG3 LYS A 58 18.922 17.350 7.832 1.00 3.30 H new ATOM 0 HD2 LYS A 58 19.431 14.622 8.183 1.00 75.32 H new ATOM 0 HD3 LYS A 58 18.662 14.686 6.610 1.00 75.32 H new ATOM 0 HE2 LYS A 58 20.723 16.780 7.103 1.00 71.41 H new ATOM 0 HE3 LYS A 58 21.328 15.136 7.045 1.00 71.41 H new ATOM 0 HZ1 LYS A 58 21.346 16.154 4.861 1.00 50.54 H new ATOM 0 HZ2 LYS A 58 20.260 14.849 4.883 1.00 50.54 H new ATOM 0 HZ3 LYS A 58 19.675 16.442 4.939 1.00 50.54 H new ATOM 859 N LYS A 59 19.756 18.476 11.152 1.00 65.21 N ATOM 860 CA LYS A 59 19.762 19.850 11.640 1.00 0.32 C ATOM 861 C LYS A 59 19.748 20.840 10.480 1.00 22.04 C ATOM 862 O LYS A 59 20.362 20.601 9.440 1.00 62.13 O ATOM 863 CB LYS A 59 20.992 20.094 12.518 1.00 2.34 C ATOM 864 CG LYS A 59 21.070 19.176 13.724 1.00 74.14 C ATOM 865 CD LYS A 59 22.142 18.113 13.547 1.00 52.24 C ATOM 866 CE LYS A 59 23.534 18.725 13.513 1.00 51.13 C ATOM 867 NZ LYS A 59 24.572 17.769 13.989 1.00 44.11 N ATOM 0 H LYS A 59 20.680 18.049 11.082 1.00 65.21 H new ATOM 0 HA LYS A 59 18.861 20.002 12.235 1.00 0.32 H new ATOM 0 HB2 LYS A 59 21.890 19.964 11.914 1.00 2.34 H new ATOM 0 HB3 LYS A 59 20.984 21.129 12.860 1.00 2.34 H new ATOM 0 HG2 LYS A 59 21.283 19.764 14.617 1.00 74.14 H new ATOM 0 HG3 LYS A 59 20.104 18.697 13.881 1.00 74.14 H new ATOM 0 HD2 LYS A 59 22.080 17.393 14.363 1.00 52.24 H new ATOM 0 HD3 LYS A 59 21.962 17.564 12.623 1.00 52.24 H new ATOM 0 HE2 LYS A 59 23.768 19.038 12.496 1.00 51.13 H new ATOM 0 HE3 LYS A 59 23.552 19.620 14.135 1.00 51.13 H new ATOM 0 HZ1 LYS A 59 25.507 18.224 13.951 1.00 44.11 H new ATOM 0 HZ2 LYS A 59 24.363 17.489 14.969 1.00 44.11 H new ATOM 0 HZ3 LYS A 59 24.572 16.926 13.381 1.00 44.11 H new ATOM 881 N GLY A 60 19.046 21.954 10.665 1.00 61.34 N ATOM 882 CA GLY A 60 18.967 22.963 9.625 1.00 53.24 C ATOM 883 C GLY A 60 19.975 24.077 9.823 1.00 25.13 C ATOM 884 O GLY A 60 19.793 25.186 9.318 1.00 23.34 O ATOM 0 H GLY A 60 18.531 22.176 11.517 1.00 61.34 H new ATOM 0 HA2 GLY A 60 19.133 22.495 8.655 1.00 53.24 H new ATOM 0 HA3 GLY A 60 17.962 23.385 9.607 1.00 53.24 H new ATOM 888 N THR A 61 21.041 23.785 10.560 1.00 11.44 N ATOM 889 CA THR A 61 22.080 24.773 10.826 1.00 74.30 C ATOM 890 C THR A 61 23.451 24.112 10.936 1.00 63.22 C ATOM 891 O THR A 61 24.346 24.626 11.606 1.00 73.24 O ATOM 892 CB THR A 61 21.795 25.555 12.121 1.00 74.40 C ATOM 893 OG1 THR A 61 22.759 26.602 12.284 1.00 52.43 O ATOM 894 CG2 THR A 61 21.832 24.632 13.330 1.00 0.14 C ATOM 0 H THR A 61 21.208 22.872 10.984 1.00 11.44 H new ATOM 0 HA THR A 61 22.079 25.466 9.985 1.00 74.30 H new ATOM 0 HB THR A 61 20.798 25.989 12.045 1.00 74.40 H new ATOM 0 HG1 THR A 61 23.652 26.261 12.068 1.00 52.43 H new ATOM 0 HG21 THR A 61 21.628 25.207 14.233 1.00 0.14 H new ATOM 0 HG22 THR A 61 21.077 23.854 13.217 1.00 0.14 H new ATOM 0 HG23 THR A 61 22.818 24.173 13.407 1.00 0.14 H new ATOM 902 N VAL A 62 23.608 22.971 10.273 1.00 43.14 N ATOM 903 CA VAL A 62 24.869 22.240 10.295 1.00 4.41 C ATOM 904 C VAL A 62 25.481 22.160 8.901 1.00 73.31 C ATOM 905 O VAL A 62 26.702 22.170 8.746 1.00 12.43 O ATOM 906 CB VAL A 62 24.683 20.815 10.846 1.00 14.52 C ATOM 907 CG1 VAL A 62 23.705 20.032 9.985 1.00 23.11 C ATOM 908 CG2 VAL A 62 26.022 20.099 10.933 1.00 20.43 C ATOM 0 H VAL A 62 22.877 22.532 9.713 1.00 43.14 H new ATOM 0 HA VAL A 62 25.542 22.789 10.953 1.00 4.41 H new ATOM 0 HB VAL A 62 24.268 20.885 11.852 1.00 14.52 H new ATOM 0 HG11 VAL A 62 23.587 19.027 10.391 1.00 23.11 H new ATOM 0 HG12 VAL A 62 22.739 20.537 9.980 1.00 23.11 H new ATOM 0 HG13 VAL A 62 24.087 19.969 8.966 1.00 23.11 H new ATOM 0 HG21 VAL A 62 25.872 19.093 11.325 1.00 20.43 H new ATOM 0 HG22 VAL A 62 26.468 20.039 9.940 1.00 20.43 H new ATOM 0 HG23 VAL A 62 26.687 20.651 11.597 1.00 20.43 H new ATOM 918 N SER A 63 24.624 22.078 7.889 1.00 24.41 N ATOM 919 CA SER A 63 25.081 21.991 6.506 1.00 41.43 C ATOM 920 C SER A 63 25.520 23.359 5.992 1.00 55.04 C ATOM 921 O SER A 63 26.438 23.462 5.178 1.00 62.20 O ATOM 922 CB SER A 63 23.970 21.431 5.615 1.00 71.40 C ATOM 923 OG SER A 63 23.243 20.415 6.284 1.00 61.23 O ATOM 0 H SER A 63 23.610 22.070 8.000 1.00 24.41 H new ATOM 0 HA SER A 63 25.938 21.318 6.473 1.00 41.43 H new ATOM 0 HB2 SER A 63 23.294 22.235 5.323 1.00 71.40 H new ATOM 0 HB3 SER A 63 24.402 21.030 4.698 1.00 71.40 H new ATOM 0 HG SER A 63 22.538 20.075 5.694 1.00 61.23 H new ATOM 929 N ILE A 64 24.857 24.405 6.473 1.00 61.23 N ATOM 930 CA ILE A 64 25.179 25.766 6.063 1.00 53.54 C ATOM 931 C ILE A 64 26.685 25.998 6.062 1.00 13.22 C ATOM 932 O ILE A 64 27.449 25.286 6.713 1.00 74.24 O ATOM 933 CB ILE A 64 24.511 26.804 6.985 1.00 31.05 C ATOM 934 CG1 ILE A 64 24.480 26.292 8.427 1.00 44.54 C ATOM 935 CG2 ILE A 64 23.105 27.120 6.498 1.00 74.41 C ATOM 936 CD1 ILE A 64 25.837 25.881 8.952 1.00 2.31 C ATOM 0 H ILE A 64 24.094 24.336 7.147 1.00 61.23 H new ATOM 0 HA ILE A 64 24.795 25.890 5.051 1.00 53.54 H new ATOM 0 HB ILE A 64 25.097 27.722 6.958 1.00 31.05 H new ATOM 0 HG12 ILE A 64 24.071 27.070 9.071 1.00 44.54 H new ATOM 0 HG13 ILE A 64 23.803 25.440 8.487 1.00 44.54 H new ATOM 0 HG21 ILE A 64 22.647 27.855 7.160 1.00 74.41 H new ATOM 0 HG22 ILE A 64 23.152 27.523 5.486 1.00 74.41 H new ATOM 0 HG23 ILE A 64 22.507 26.209 6.498 1.00 74.41 H new ATOM 0 HD11 ILE A 64 25.738 25.529 9.979 1.00 2.31 H new ATOM 0 HD12 ILE A 64 26.240 25.081 8.331 1.00 2.31 H new ATOM 0 HD13 ILE A 64 26.512 26.736 8.925 1.00 2.31 H new ATOM 948 N PRO A 65 27.126 27.020 5.314 1.00 5.14 N ATOM 949 CA PRO A 65 28.546 27.372 5.211 1.00 1.42 C ATOM 950 C PRO A 65 29.093 27.957 6.508 1.00 40.51 C ATOM 951 O PRO A 65 30.291 28.214 6.628 1.00 62.44 O ATOM 952 CB PRO A 65 28.571 28.423 4.098 1.00 32.33 C ATOM 953 CG PRO A 65 27.207 29.021 4.110 1.00 61.01 C ATOM 954 CD PRO A 65 26.272 27.913 4.511 1.00 75.32 C ATOM 0 HA PRO A 65 29.168 26.501 5.007 1.00 1.42 H new ATOM 0 HB2 PRO A 65 29.336 29.178 4.283 1.00 32.33 H new ATOM 0 HB3 PRO A 65 28.797 27.971 3.132 1.00 32.33 H new ATOM 0 HG2 PRO A 65 27.151 29.852 4.813 1.00 61.01 H new ATOM 0 HG3 PRO A 65 26.946 29.416 3.128 1.00 61.01 H new ATOM 0 HD2 PRO A 65 25.428 28.289 5.089 1.00 75.32 H new ATOM 0 HD3 PRO A 65 25.860 27.400 3.642 1.00 75.32 H new ATOM 962 N SER A 66 28.207 28.167 7.477 1.00 35.04 N ATOM 963 CA SER A 66 28.602 28.726 8.765 1.00 13.33 C ATOM 964 C SER A 66 29.855 28.035 9.296 1.00 12.15 C ATOM 965 O SER A 66 30.001 26.818 9.188 1.00 52.23 O ATOM 966 CB SER A 66 27.463 28.587 9.776 1.00 53.12 C ATOM 967 OG SER A 66 27.647 29.460 10.876 1.00 2.42 O ATOM 0 H SER A 66 27.212 27.959 7.395 1.00 35.04 H new ATOM 0 HA SER A 66 28.824 29.783 8.621 1.00 13.33 H new ATOM 0 HB2 SER A 66 26.512 28.806 9.290 1.00 53.12 H new ATOM 0 HB3 SER A 66 27.411 27.557 10.130 1.00 53.12 H new ATOM 0 HG SER A 66 26.905 29.353 11.507 1.00 2.42 H new ATOM 973 N LYS A 67 30.759 28.822 9.871 1.00 2.52 N ATOM 974 CA LYS A 67 32.000 28.290 10.421 1.00 61.44 C ATOM 975 C LYS A 67 32.877 27.706 9.317 1.00 51.52 C ATOM 976 O LYS A 67 33.831 26.977 9.589 1.00 13.14 O ATOM 977 CB LYS A 67 31.698 27.215 11.468 1.00 43.22 C ATOM 978 CG LYS A 67 32.179 27.574 12.863 1.00 31.03 C ATOM 979 CD LYS A 67 32.492 26.333 13.682 1.00 22.45 C ATOM 980 CE LYS A 67 32.636 26.662 15.159 1.00 53.33 C ATOM 981 NZ LYS A 67 34.028 26.445 15.643 1.00 3.43 N ATOM 0 H LYS A 67 30.655 29.832 9.968 1.00 2.52 H new ATOM 0 HA LYS A 67 32.539 29.110 10.895 1.00 61.44 H new ATOM 0 HB2 LYS A 67 30.623 27.040 11.497 1.00 43.22 H new ATOM 0 HB3 LYS A 67 32.165 26.279 11.161 1.00 43.22 H new ATOM 0 HG2 LYS A 67 33.070 28.198 12.792 1.00 31.03 H new ATOM 0 HG3 LYS A 67 31.416 28.164 13.371 1.00 31.03 H new ATOM 0 HD2 LYS A 67 31.699 25.598 13.548 1.00 22.45 H new ATOM 0 HD3 LYS A 67 33.413 25.878 13.318 1.00 22.45 H new ATOM 0 HE2 LYS A 67 32.350 27.700 15.329 1.00 53.33 H new ATOM 0 HE3 LYS A 67 31.950 26.043 15.737 1.00 53.33 H new ATOM 0 HZ1 LYS A 67 34.085 26.680 16.654 1.00 3.43 H new ATOM 0 HZ2 LYS A 67 34.293 25.449 15.504 1.00 3.43 H new ATOM 0 HZ3 LYS A 67 34.680 27.054 15.109 1.00 3.43 H new ATOM 995 N LYS A 68 32.549 28.032 8.072 1.00 50.45 N ATOM 996 CA LYS A 68 33.308 27.543 6.927 1.00 1.52 C ATOM 997 C LYS A 68 33.357 26.019 6.917 1.00 54.01 C ATOM 998 O LYS A 68 34.391 25.418 7.214 1.00 44.15 O ATOM 999 CB LYS A 68 34.729 28.110 6.952 1.00 74.11 C ATOM 1000 CG LYS A 68 34.852 29.472 6.293 1.00 30.34 C ATOM 1001 CD LYS A 68 36.182 29.624 5.571 1.00 50.30 C ATOM 1002 CE LYS A 68 36.573 31.087 5.426 1.00 53.31 C ATOM 1003 NZ LYS A 68 38.051 31.272 5.467 1.00 65.45 N ATOM 0 H LYS A 68 31.762 28.634 7.830 1.00 50.45 H new ATOM 0 HA LYS A 68 32.805 27.878 6.020 1.00 1.52 H new ATOM 0 HB2 LYS A 68 35.063 28.185 7.987 1.00 74.11 H new ATOM 0 HB3 LYS A 68 35.399 27.411 6.451 1.00 74.11 H new ATOM 0 HG2 LYS A 68 34.035 29.610 5.585 1.00 30.34 H new ATOM 0 HG3 LYS A 68 34.755 30.253 7.048 1.00 30.34 H new ATOM 0 HD2 LYS A 68 36.958 29.091 6.120 1.00 50.30 H new ATOM 0 HD3 LYS A 68 36.117 29.164 4.585 1.00 50.30 H new ATOM 0 HE2 LYS A 68 36.184 31.475 4.485 1.00 53.31 H new ATOM 0 HE3 LYS A 68 36.112 31.667 6.225 1.00 53.31 H new ATOM 0 HZ1 LYS A 68 38.277 32.282 5.365 1.00 65.45 H new ATOM 0 HZ2 LYS A 68 38.419 30.925 6.375 1.00 65.45 H new ATOM 0 HZ3 LYS A 68 38.489 30.739 4.689 1.00 65.45 H new ATOM 1017 N LYS A 69 32.233 25.397 6.574 1.00 51.31 N ATOM 1018 CA LYS A 69 32.148 23.943 6.524 1.00 70.42 C ATOM 1019 C LYS A 69 32.996 23.388 5.383 1.00 51.22 C ATOM 1020 O LYS A 69 33.451 22.246 5.434 1.00 50.23 O ATOM 1021 CB LYS A 69 30.692 23.503 6.352 1.00 55.04 C ATOM 1022 CG LYS A 69 30.067 22.961 7.626 1.00 52.03 C ATOM 1023 CD LYS A 69 30.694 21.640 8.038 1.00 31.51 C ATOM 1024 CE LYS A 69 30.135 20.481 7.228 1.00 74.42 C ATOM 1025 NZ LYS A 69 31.140 19.935 6.275 1.00 31.54 N ATOM 0 H LYS A 69 31.368 25.878 6.327 1.00 51.31 H new ATOM 0 HA LYS A 69 32.532 23.548 7.465 1.00 70.42 H new ATOM 0 HB2 LYS A 69 30.104 24.351 6.001 1.00 55.04 H new ATOM 0 HB3 LYS A 69 30.641 22.737 5.578 1.00 55.04 H new ATOM 0 HG2 LYS A 69 30.188 23.688 8.429 1.00 52.03 H new ATOM 0 HG3 LYS A 69 28.996 22.825 7.477 1.00 52.03 H new ATOM 0 HD2 LYS A 69 31.774 21.691 7.904 1.00 31.51 H new ATOM 0 HD3 LYS A 69 30.513 21.465 9.098 1.00 31.51 H new ATOM 0 HE2 LYS A 69 29.808 19.690 7.903 1.00 74.42 H new ATOM 0 HE3 LYS A 69 29.255 20.814 6.677 1.00 74.42 H new ATOM 0 HZ1 LYS A 69 30.664 19.642 5.398 1.00 31.54 H new ATOM 0 HZ2 LYS A 69 31.846 20.667 6.058 1.00 31.54 H new ATOM 0 HZ3 LYS A 69 31.613 19.113 6.702 1.00 31.54 H new ATOM 1039 N ASN A 70 33.204 24.204 4.356 1.00 31.24 N ATOM 1040 CA ASN A 70 33.998 23.794 3.202 1.00 15.35 C ATOM 1041 C ASN A 70 33.471 22.489 2.615 1.00 42.51 C ATOM 1042 O ASN A 70 34.232 21.682 2.085 1.00 33.52 O ATOM 1043 CB ASN A 70 35.467 23.631 3.601 1.00 42.12 C ATOM 1044 CG ASN A 70 36.115 24.950 3.975 1.00 40.13 C ATOM 1045 OD1 ASN A 70 36.355 25.801 3.118 1.00 34.12 O ATOM 1046 ND2 ASN A 70 36.401 25.125 5.260 1.00 33.52 N ATOM 0 H ASN A 70 32.834 25.153 4.298 1.00 31.24 H new ATOM 0 HA ASN A 70 33.918 24.571 2.442 1.00 15.35 H new ATOM 0 HB2 ASN A 70 35.537 22.943 4.444 1.00 42.12 H new ATOM 0 HB3 ASN A 70 36.017 23.181 2.775 1.00 42.12 H new ATOM 0 HD21 ASN A 70 36.838 25.993 5.572 1.00 33.52 H new ATOM 0 HD22 ASN A 70 36.184 24.392 5.935 1.00 33.52 H new ATOM 1053 N GLY A 71 32.160 22.291 2.712 1.00 74.55 N ATOM 1054 CA GLY A 71 31.552 21.082 2.185 1.00 12.01 C ATOM 1055 C GLY A 71 30.994 21.275 0.789 1.00 52.52 C ATOM 1056 O GLY A 71 29.956 20.711 0.445 1.00 24.41 O ATOM 0 H GLY A 71 31.508 22.945 3.145 1.00 74.55 H new ATOM 0 HA2 GLY A 71 32.293 20.283 2.169 1.00 12.01 H new ATOM 0 HA3 GLY A 71 30.752 20.761 2.852 1.00 12.01 H new ATOM 1060 N ASN A 72 31.682 22.078 -0.016 1.00 73.30 N ATOM 1061 CA ASN A 72 31.248 22.345 -1.382 1.00 64.30 C ATOM 1062 C ASN A 72 32.168 21.663 -2.390 1.00 70.40 C ATOM 1063 O ASN A 72 32.927 22.323 -3.100 1.00 72.25 O ATOM 1064 CB ASN A 72 31.216 23.853 -1.643 1.00 31.21 C ATOM 1065 CG ASN A 72 32.419 24.567 -1.056 1.00 72.40 C ATOM 1066 OD1 ASN A 72 32.426 24.928 0.120 1.00 34.43 O ATOM 1067 ND2 ASN A 72 33.442 24.773 -1.877 1.00 0.21 N ATOM 0 H ASN A 72 32.542 22.555 0.254 1.00 73.30 H new ATOM 0 HA ASN A 72 30.243 21.940 -1.503 1.00 64.30 H new ATOM 0 HB2 ASN A 72 31.179 24.032 -2.718 1.00 31.21 H new ATOM 0 HB3 ASN A 72 30.304 24.273 -1.218 1.00 31.21 H new ATOM 0 HD21 ASN A 72 34.279 25.249 -1.540 1.00 0.21 H new ATOM 0 HD22 ASN A 72 33.391 24.456 -2.845 1.00 0.21 H new ATOM 1074 N GLY A 73 32.095 20.337 -2.446 1.00 64.31 N ATOM 1075 CA GLY A 73 32.926 19.586 -3.370 1.00 23.12 C ATOM 1076 C GLY A 73 32.275 19.414 -4.728 1.00 44.40 C ATOM 1077 O GLY A 73 32.340 20.306 -5.573 1.00 53.33 O ATOM 0 H GLY A 73 31.475 19.769 -1.868 1.00 64.31 H new ATOM 0 HA2 GLY A 73 33.882 20.096 -3.491 1.00 23.12 H new ATOM 0 HA3 GLY A 73 33.140 18.605 -2.946 1.00 23.12 H new ATOM 1081 N GLY A 74 31.644 18.263 -4.939 1.00 32.23 N ATOM 1082 CA GLY A 74 30.989 17.996 -6.206 1.00 44.41 C ATOM 1083 C GLY A 74 30.315 16.640 -6.237 1.00 73.24 C ATOM 1084 O GLY A 74 30.969 15.610 -6.071 1.00 53.04 O ATOM 0 H GLY A 74 31.575 17.510 -4.254 1.00 32.23 H new ATOM 0 HA2 GLY A 74 30.247 18.771 -6.398 1.00 44.41 H new ATOM 0 HA3 GLY A 74 31.723 18.051 -7.010 1.00 44.41 H new ATOM 1088 N VAL A 75 29.003 16.637 -6.447 1.00 62.32 N ATOM 1089 CA VAL A 75 28.238 15.396 -6.498 1.00 31.43 C ATOM 1090 C VAL A 75 28.722 14.499 -7.633 1.00 15.04 C ATOM 1091 O VAL A 75 28.761 13.276 -7.499 1.00 0.31 O ATOM 1092 CB VAL A 75 26.735 15.670 -6.681 1.00 64.43 C ATOM 1093 CG1 VAL A 75 25.952 14.366 -6.693 1.00 61.12 C ATOM 1094 CG2 VAL A 75 26.225 16.596 -5.588 1.00 13.14 C ATOM 0 H VAL A 75 28.447 17.481 -6.585 1.00 62.32 H new ATOM 0 HA VAL A 75 28.393 14.889 -5.546 1.00 31.43 H new ATOM 0 HB VAL A 75 26.588 16.164 -7.642 1.00 64.43 H new ATOM 0 HG11 VAL A 75 24.891 14.580 -6.823 1.00 61.12 H new ATOM 0 HG12 VAL A 75 26.300 13.740 -7.515 1.00 61.12 H new ATOM 0 HG13 VAL A 75 26.103 13.842 -5.749 1.00 61.12 H new ATOM 0 HG21 VAL A 75 25.160 16.779 -5.733 1.00 13.14 H new ATOM 0 HG22 VAL A 75 26.384 16.132 -4.615 1.00 13.14 H new ATOM 0 HG23 VAL A 75 26.765 17.542 -5.631 1.00 13.14 H new ATOM 1104 N PHE A 76 29.092 15.116 -8.751 1.00 3.31 N ATOM 1105 CA PHE A 76 29.573 14.374 -9.910 1.00 71.55 C ATOM 1106 C PHE A 76 31.099 14.349 -9.945 1.00 52.54 C ATOM 1107 O PHE A 76 31.759 15.018 -9.151 1.00 32.43 O ATOM 1108 CB PHE A 76 29.032 14.994 -11.200 1.00 32.34 C ATOM 1109 CG PHE A 76 27.775 14.340 -11.699 1.00 53.30 C ATOM 1110 CD1 PHE A 76 26.704 14.128 -10.845 1.00 5.01 C ATOM 1111 CD2 PHE A 76 27.665 13.938 -13.020 1.00 13.23 C ATOM 1112 CE1 PHE A 76 25.545 13.527 -11.301 1.00 41.11 C ATOM 1113 CE2 PHE A 76 26.509 13.336 -13.481 1.00 0.42 C ATOM 1114 CZ PHE A 76 25.448 13.131 -12.620 1.00 71.30 C ATOM 0 H PHE A 76 29.068 16.128 -8.878 1.00 3.31 H new ATOM 0 HA PHE A 76 29.212 13.349 -9.829 1.00 71.55 H new ATOM 0 HB2 PHE A 76 28.838 16.053 -11.031 1.00 32.34 H new ATOM 0 HB3 PHE A 76 29.797 14.929 -11.973 1.00 32.34 H new ATOM 0 HD1 PHE A 76 26.775 14.436 -9.812 1.00 5.01 H new ATOM 0 HD2 PHE A 76 28.491 14.097 -13.697 1.00 13.23 H new ATOM 0 HE1 PHE A 76 24.717 13.368 -10.626 1.00 41.11 H new ATOM 0 HE2 PHE A 76 26.435 13.026 -14.513 1.00 0.42 H new ATOM 0 HZ PHE A 76 24.544 12.662 -12.978 1.00 71.30 H new ATOM 1124 N GLY A 77 31.650 13.571 -10.872 1.00 15.33 N ATOM 1125 CA GLY A 77 33.094 13.472 -10.993 1.00 44.42 C ATOM 1126 C GLY A 77 33.614 14.112 -12.265 1.00 4.51 C ATOM 1127 O GLY A 77 34.795 14.439 -12.365 1.00 1.24 O ATOM 0 H GLY A 77 31.124 13.008 -11.540 1.00 15.33 H new ATOM 0 HA2 GLY A 77 33.561 13.950 -10.132 1.00 44.42 H new ATOM 0 HA3 GLY A 77 33.386 12.422 -10.972 1.00 44.42 H new ATOM 1131 N GLY A 78 32.728 14.292 -13.241 1.00 52.32 N ATOM 1132 CA GLY A 78 33.123 14.896 -14.499 1.00 21.10 C ATOM 1133 C GLY A 78 32.612 16.315 -14.649 1.00 13.53 C ATOM 1134 O GLY A 78 32.399 16.792 -15.763 1.00 21.14 O ATOM 0 H GLY A 78 31.744 14.030 -13.182 1.00 52.32 H new ATOM 0 HA2 GLY A 78 34.211 14.896 -14.573 1.00 21.10 H new ATOM 0 HA3 GLY A 78 32.747 14.289 -15.323 1.00 21.10 H new ATOM 1138 N LEU A 79 32.413 16.992 -13.522 1.00 34.43 N ATOM 1139 CA LEU A 79 31.923 18.366 -13.532 1.00 73.25 C ATOM 1140 C LEU A 79 33.062 19.352 -13.302 1.00 0.55 C ATOM 1141 O LEU A 79 33.011 20.494 -13.760 1.00 42.32 O ATOM 1142 CB LEU A 79 30.848 18.550 -12.459 1.00 11.35 C ATOM 1143 CG LEU A 79 29.399 18.530 -12.949 1.00 32.43 C ATOM 1144 CD1 LEU A 79 29.093 19.779 -13.761 1.00 54.43 C ATOM 1145 CD2 LEU A 79 29.134 17.278 -13.773 1.00 3.32 C ATOM 0 H LEU A 79 32.583 16.612 -12.591 1.00 34.43 H new ATOM 0 HA LEU A 79 31.489 18.565 -14.512 1.00 73.25 H new ATOM 0 HB2 LEU A 79 30.969 17.764 -11.713 1.00 11.35 H new ATOM 0 HB3 LEU A 79 31.026 19.499 -11.954 1.00 11.35 H new ATOM 0 HG LEU A 79 28.741 18.516 -12.080 1.00 32.43 H new ATOM 0 HD11 LEU A 79 28.058 19.747 -14.101 1.00 54.43 H new ATOM 0 HD12 LEU A 79 29.244 20.662 -13.141 1.00 54.43 H new ATOM 0 HD13 LEU A 79 29.757 19.824 -14.624 1.00 54.43 H new ATOM 0 HD21 LEU A 79 28.099 17.279 -14.114 1.00 3.32 H new ATOM 0 HD22 LEU A 79 29.800 17.262 -14.636 1.00 3.32 H new ATOM 0 HD23 LEU A 79 29.313 16.394 -13.160 1.00 3.32 H new ATOM 1157 N PHE A 80 34.093 18.905 -12.591 1.00 63.14 N ATOM 1158 CA PHE A 80 35.246 19.748 -12.301 1.00 63.54 C ATOM 1159 C PHE A 80 36.379 19.477 -13.286 1.00 23.43 C ATOM 1160 O PHE A 80 37.183 20.360 -13.582 1.00 11.24 O ATOM 1161 CB PHE A 80 35.732 19.510 -10.870 1.00 52.15 C ATOM 1162 CG PHE A 80 35.358 20.610 -9.919 1.00 74.24 C ATOM 1163 CD1 PHE A 80 34.028 20.933 -9.701 1.00 42.13 C ATOM 1164 CD2 PHE A 80 36.335 21.321 -9.241 1.00 64.32 C ATOM 1165 CE1 PHE A 80 33.681 21.945 -8.826 1.00 22.13 C ATOM 1166 CE2 PHE A 80 35.995 22.334 -8.366 1.00 42.33 C ATOM 1167 CZ PHE A 80 34.665 22.646 -8.157 1.00 64.41 C ATOM 0 H PHE A 80 34.153 17.963 -12.205 1.00 63.14 H new ATOM 0 HA PHE A 80 34.939 20.789 -12.405 1.00 63.54 H new ATOM 0 HB2 PHE A 80 35.318 18.570 -10.506 1.00 52.15 H new ATOM 0 HB3 PHE A 80 36.816 19.400 -10.877 1.00 52.15 H new ATOM 0 HD1 PHE A 80 33.254 20.388 -10.221 1.00 42.13 H new ATOM 0 HD2 PHE A 80 37.376 21.080 -9.399 1.00 64.32 H new ATOM 0 HE1 PHE A 80 32.641 22.187 -8.666 1.00 22.13 H new ATOM 0 HE2 PHE A 80 36.767 22.881 -7.846 1.00 42.33 H new ATOM 0 HZ PHE A 80 34.396 23.436 -7.472 1.00 64.41 H new ATOM 1177 N ALA A 81 36.435 18.249 -13.792 1.00 43.34 N ATOM 1178 CA ALA A 81 37.467 17.861 -14.746 1.00 13.52 C ATOM 1179 C ALA A 81 37.454 18.771 -15.970 1.00 42.32 C ATOM 1180 O ALA A 81 36.498 19.515 -16.193 1.00 13.23 O ATOM 1181 CB ALA A 81 37.283 16.410 -15.162 1.00 72.25 C ATOM 0 H ALA A 81 35.777 17.506 -13.557 1.00 43.34 H new ATOM 0 HA ALA A 81 38.436 17.967 -14.258 1.00 13.52 H new ATOM 0 HB1 ALA A 81 38.061 16.134 -15.874 1.00 72.25 H new ATOM 0 HB2 ALA A 81 37.352 15.768 -14.284 1.00 72.25 H new ATOM 0 HB3 ALA A 81 36.305 16.286 -15.627 1.00 72.25 H new ATOM 1187 N LYS A 82 38.519 18.707 -16.760 1.00 24.21 N ATOM 1188 CA LYS A 82 38.631 19.524 -17.963 1.00 73.13 C ATOM 1189 C LYS A 82 38.638 21.009 -17.614 1.00 52.44 C ATOM 1190 O LYS A 82 37.587 21.610 -17.390 1.00 64.23 O ATOM 1191 CB LYS A 82 37.475 19.221 -18.920 1.00 74.22 C ATOM 1192 CG LYS A 82 37.905 18.493 -20.181 1.00 32.41 C ATOM 1193 CD LYS A 82 38.451 17.109 -19.869 1.00 55.20 C ATOM 1194 CE LYS A 82 39.780 16.863 -20.565 1.00 24.32 C ATOM 1195 NZ LYS A 82 39.595 16.462 -21.988 1.00 31.15 N ATOM 0 H LYS A 82 39.319 18.097 -16.589 1.00 24.21 H new ATOM 0 HA LYS A 82 39.574 19.278 -18.451 1.00 73.13 H new ATOM 0 HB2 LYS A 82 36.731 18.619 -18.399 1.00 74.22 H new ATOM 0 HB3 LYS A 82 36.990 20.157 -19.198 1.00 74.22 H new ATOM 0 HG2 LYS A 82 37.056 18.406 -20.859 1.00 32.41 H new ATOM 0 HG3 LYS A 82 38.666 19.077 -20.698 1.00 32.41 H new ATOM 0 HD2 LYS A 82 38.578 17.001 -18.792 1.00 55.20 H new ATOM 0 HD3 LYS A 82 37.730 16.354 -20.182 1.00 55.20 H new ATOM 0 HE2 LYS A 82 40.387 17.767 -20.518 1.00 24.32 H new ATOM 0 HE3 LYS A 82 40.328 16.083 -20.036 1.00 24.32 H new ATOM 0 HZ1 LYS A 82 40.524 16.303 -22.428 1.00 31.15 H new ATOM 0 HZ2 LYS A 82 39.037 15.585 -22.032 1.00 31.15 H new ATOM 0 HZ3 LYS A 82 39.094 17.217 -22.499 1.00 31.15 H new ATOM 1209 N LYS A 83 39.829 21.596 -17.568 1.00 54.11 N ATOM 1210 CA LYS A 83 39.974 23.010 -17.248 1.00 20.15 C ATOM 1211 C LYS A 83 40.872 23.708 -18.265 1.00 5.54 C ATOM 1212 O LYS A 83 41.883 23.155 -18.698 1.00 45.21 O ATOM 1213 CB LYS A 83 40.551 23.180 -15.841 1.00 44.00 C ATOM 1214 CG LYS A 83 40.772 24.630 -15.445 1.00 45.43 C ATOM 1215 CD LYS A 83 40.758 24.804 -13.935 1.00 23.32 C ATOM 1216 CE LYS A 83 40.195 26.158 -13.536 1.00 43.50 C ATOM 1217 NZ LYS A 83 38.712 26.205 -13.670 1.00 73.50 N ATOM 0 H LYS A 83 40.709 21.113 -17.749 1.00 54.11 H new ATOM 0 HA LYS A 83 38.986 23.469 -17.286 1.00 20.15 H new ATOM 0 HB2 LYS A 83 39.877 22.715 -15.122 1.00 44.00 H new ATOM 0 HB3 LYS A 83 41.500 22.647 -15.780 1.00 44.00 H new ATOM 0 HG2 LYS A 83 41.726 24.976 -15.843 1.00 45.43 H new ATOM 0 HG3 LYS A 83 39.996 25.252 -15.891 1.00 45.43 H new ATOM 0 HD2 LYS A 83 40.161 24.013 -13.482 1.00 23.32 H new ATOM 0 HD3 LYS A 83 41.771 24.701 -13.546 1.00 23.32 H new ATOM 0 HE2 LYS A 83 40.473 26.377 -12.505 1.00 43.50 H new ATOM 0 HE3 LYS A 83 40.640 26.934 -14.158 1.00 43.50 H new ATOM 0 HZ1 LYS A 83 38.411 27.182 -13.859 1.00 73.50 H new ATOM 0 HZ2 LYS A 83 38.415 25.593 -14.457 1.00 73.50 H new ATOM 0 HZ3 LYS A 83 38.273 25.872 -12.788 1.00 73.50 H new ATOM 1231 N ASP A 84 40.497 24.926 -18.640 1.00 2.33 N ATOM 1232 CA ASP A 84 41.270 25.702 -19.604 1.00 20.23 C ATOM 1233 C ASP A 84 42.729 25.804 -19.173 1.00 11.52 C ATOM 1234 O ASP A 84 43.630 25.884 -20.009 1.00 63.42 O ATOM 1235 CB ASP A 84 40.671 27.101 -19.763 1.00 33.44 C ATOM 1236 CG ASP A 84 40.571 27.526 -21.215 1.00 73.41 C ATOM 1237 OD1 ASP A 84 41.559 27.343 -21.956 1.00 3.45 O ATOM 1238 OD2 ASP A 84 39.504 28.040 -21.610 1.00 41.35 O ATOM 0 H ASP A 84 39.663 25.398 -18.291 1.00 2.33 H new ATOM 0 HA ASP A 84 41.229 25.188 -20.564 1.00 20.23 H new ATOM 0 HB2 ASP A 84 39.679 27.122 -19.312 1.00 33.44 H new ATOM 0 HB3 ASP A 84 41.284 27.819 -19.218 1.00 33.44 H new TER 1243 ASP A 84