USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 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 94 ASN : amide:sc= -2.49! C(o=-1.7!,f=-2.2!) USER MOD Set 1.2: A 96 THR OG1 : rot 115:sc= 0.782 USER MOD Set 2.1: A 57 TYR OH : rot -15:sc= -0.776 USER MOD Set 2.2: A 61 ASN : amide:sc= -1.16! C(o=-1.9!,f=-2.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 0:sc= 0.756 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.3!) USER MOD Single : A 30 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-3!) USER MOD Single : A 31 MET CE :methyl 169:sc= -0.408 (180deg=-0.668) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.0196 USER MOD Single : A 39 THR OG1 : rot -57:sc= 0.683 USER MOD Single : A 43 GLN : amide:sc= -0.304 K(o=-0.3,f=-3.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-0.7) USER MOD Single : A 48 THR OG1 : rot -77:sc= -0.134! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 59 TYR OH : rot -94:sc= -0.969! USER MOD Single : A 62 THR OG1 : rot -56:sc= 0.458 USER MOD Single : A 63 THR OG1 : rot 24:sc= 0.713 USER MOD Single : A 66 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.027) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.833 K(o=-0.83,f=0) USER MOD Single : A 74 SER OG : rot 166:sc= 1.05 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.43) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 32:sc= 1.02 USER MOD Single : A 98 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.67) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.459 K(o=-0.46,f=-2.1!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -4.62! C(o=-4.6!,f=-2.5!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.97) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.33) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -58.782 19.505 11.599 1.00 0.00 N ATOM 2 CA GLY A 15 -58.041 18.389 11.039 1.00 0.00 C ATOM 3 C GLY A 15 -56.970 18.877 10.060 1.00 0.00 C ATOM 4 O GLY A 15 -57.236 19.739 9.224 1.00 0.00 O ATOM 0 HA2 GLY A 15 -57.573 17.820 11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -58.726 17.713 10.527 1.00 0.00 H new ATOM 8 N SER A 16 -55.783 18.306 10.199 1.00 0.00 N ATOM 9 CA SER A 16 -54.671 18.672 9.338 1.00 0.00 C ATOM 10 C SER A 16 -54.333 20.154 9.522 1.00 0.00 C ATOM 11 O SER A 16 -55.195 21.015 9.361 1.00 0.00 O ATOM 12 CB SER A 16 -54.990 18.379 7.871 1.00 0.00 C ATOM 13 OG SER A 16 -55.236 16.994 7.645 1.00 0.00 O ATOM 0 H SER A 16 -55.567 17.592 10.895 1.00 0.00 H new ATOM 0 HA SER A 16 -53.807 18.070 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 16 -55.863 18.957 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 16 -54.159 18.706 7.247 1.00 0.00 H new ATOM 0 HG SER A 16 -55.438 16.848 6.697 1.00 0.00 H new ATOM 18 N GLY A 17 -53.075 20.403 9.858 1.00 0.00 N ATOM 19 CA GLY A 17 -52.613 21.765 10.065 1.00 0.00 C ATOM 20 C GLY A 17 -51.526 22.134 9.054 1.00 0.00 C ATOM 21 O GLY A 17 -51.203 21.345 8.168 1.00 0.00 O ATOM 0 H GLY A 17 -52.363 19.685 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -53.451 22.455 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -52.224 21.871 11.078 1.00 0.00 H new ATOM 25 N MET A 18 -50.992 23.336 9.220 1.00 0.00 N ATOM 26 CA MET A 18 -49.948 23.821 8.332 1.00 0.00 C ATOM 27 C MET A 18 -49.004 24.775 9.066 1.00 0.00 C ATOM 28 O MET A 18 -49.445 25.764 9.648 1.00 0.00 O ATOM 29 CB MET A 18 -50.585 24.544 7.144 1.00 0.00 C ATOM 30 CG MET A 18 -49.595 24.666 5.983 1.00 0.00 C ATOM 31 SD MET A 18 -49.590 26.338 5.357 1.00 0.00 S ATOM 32 CE MET A 18 -51.058 26.293 4.342 1.00 0.00 C ATOM 0 H MET A 18 -51.263 23.988 9.956 1.00 0.00 H new ATOM 0 HA MET A 18 -49.369 22.967 7.981 1.00 0.00 H new ATOM 0 HB2 MET A 18 -51.471 24.001 6.816 1.00 0.00 H new ATOM 0 HB3 MET A 18 -50.915 25.536 7.452 1.00 0.00 H new ATOM 0 HG2 MET A 18 -48.595 24.391 6.317 1.00 0.00 H new ATOM 0 HG3 MET A 18 -49.867 23.972 5.188 1.00 0.00 H new ATOM 0 HE1 MET A 18 -51.205 27.265 3.872 1.00 0.00 H new ATOM 0 HE2 MET A 18 -50.944 25.531 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 18 -51.922 26.055 4.962 1.00 0.00 H new ATOM 40 N LYS A 19 -47.723 24.444 9.013 1.00 0.00 N ATOM 41 CA LYS A 19 -46.712 25.259 9.665 1.00 0.00 C ATOM 42 C LYS A 19 -45.937 26.047 8.608 1.00 0.00 C ATOM 43 O LYS A 19 -46.148 27.248 8.446 1.00 0.00 O ATOM 44 CB LYS A 19 -45.822 24.394 10.562 1.00 0.00 C ATOM 45 CG LYS A 19 -46.411 24.275 11.968 1.00 0.00 C ATOM 46 CD LYS A 19 -47.103 22.924 12.160 1.00 0.00 C ATOM 47 CE LYS A 19 -46.079 21.807 12.368 1.00 0.00 C ATOM 48 NZ LYS A 19 -46.400 21.029 13.585 1.00 0.00 N ATOM 0 H LYS A 19 -47.361 23.622 8.529 1.00 0.00 H new ATOM 0 HA LYS A 19 -47.180 25.988 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -45.714 23.402 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -44.824 24.829 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -45.620 24.391 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -47.125 25.081 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -47.772 22.973 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -47.719 22.700 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -46.070 21.148 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -45.080 22.233 12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -45.695 20.275 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -46.386 21.658 14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -47.345 20.606 13.488 1.00 0.00 H new ATOM 58 N GLU A 20 -45.058 25.340 7.914 1.00 0.00 N ATOM 59 CA GLU A 20 -44.251 25.958 6.875 1.00 0.00 C ATOM 60 C GLU A 20 -43.454 24.895 6.118 1.00 0.00 C ATOM 61 O GLU A 20 -43.288 23.776 6.602 1.00 0.00 O ATOM 62 CB GLU A 20 -43.324 27.023 7.464 1.00 0.00 C ATOM 63 CG GLU A 20 -42.323 26.401 8.440 1.00 0.00 C ATOM 64 CD GLU A 20 -42.175 27.262 9.695 1.00 0.00 C ATOM 65 OE1 GLU A 20 -41.562 28.345 9.572 1.00 0.00 O ATOM 66 OE2 GLU A 20 -42.677 26.819 10.751 1.00 0.00 O ATOM 0 H GLU A 20 -44.886 24.344 8.051 1.00 0.00 H new ATOM 0 HA GLU A 20 -44.918 26.453 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -42.788 27.528 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -43.915 27.781 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -42.654 25.400 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -41.354 26.292 7.953 1.00 0.00 H new ATOM 71 N THR A 21 -42.982 25.281 4.942 1.00 0.00 N ATOM 72 CA THR A 21 -42.206 24.374 4.113 1.00 0.00 C ATOM 73 C THR A 21 -41.409 25.157 3.068 1.00 0.00 C ATOM 74 O THR A 21 -41.988 25.800 2.193 1.00 0.00 O ATOM 75 CB THR A 21 -43.168 23.352 3.503 1.00 0.00 C ATOM 76 OG1 THR A 21 -43.388 22.414 4.553 1.00 0.00 O ATOM 77 CG2 THR A 21 -42.514 22.523 2.396 1.00 0.00 C ATOM 0 H THR A 21 -43.122 26.209 4.543 1.00 0.00 H new ATOM 0 HA THR A 21 -41.466 23.834 4.703 1.00 0.00 H new ATOM 0 HB THR A 21 -44.042 23.868 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 21 -42.879 22.685 5.346 1.00 0.00 H new ATOM 0 HG21 THR A 21 -43.239 21.813 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 21 -42.176 23.184 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 21 -41.661 21.980 2.804 1.00 0.00 H new ATOM 85 N ALA A 22 -40.092 25.079 3.194 1.00 0.00 N ATOM 86 CA ALA A 22 -39.210 25.772 2.270 1.00 0.00 C ATOM 87 C ALA A 22 -37.764 25.635 2.754 1.00 0.00 C ATOM 88 O ALA A 22 -37.466 25.910 3.914 1.00 0.00 O ATOM 89 CB ALA A 22 -39.647 27.233 2.146 1.00 0.00 C ATOM 0 H ALA A 22 -39.615 24.547 3.922 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.269 25.329 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.986 27.753 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.670 27.276 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -39.597 27.712 3.124 1.00 0.00 H new ATOM 95 N ALA A 23 -36.906 25.210 1.838 1.00 0.00 N ATOM 96 CA ALA A 23 -35.499 25.033 2.155 1.00 0.00 C ATOM 97 C ALA A 23 -34.753 24.569 0.904 1.00 0.00 C ATOM 98 O ALA A 23 -35.358 24.018 -0.015 1.00 0.00 O ATOM 99 CB ALA A 23 -35.358 24.049 3.318 1.00 0.00 C ATOM 0 H ALA A 23 -37.158 24.983 0.876 1.00 0.00 H new ATOM 0 HA ALA A 23 -35.055 25.977 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -34.303 23.916 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -35.880 24.440 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -35.790 23.089 3.037 1.00 0.00 H new ATOM 105 N ALA A 24 -33.450 24.807 0.909 1.00 0.00 N ATOM 106 CA ALA A 24 -32.614 24.419 -0.215 1.00 0.00 C ATOM 107 C ALA A 24 -31.803 23.178 0.163 1.00 0.00 C ATOM 108 O ALA A 24 -31.567 22.921 1.341 1.00 0.00 O ATOM 109 CB ALA A 24 -31.725 25.596 -0.621 1.00 0.00 C ATOM 0 H ALA A 24 -32.952 25.264 1.673 1.00 0.00 H new ATOM 0 HA ALA A 24 -33.227 24.161 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -31.098 25.305 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -32.350 26.442 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -31.093 25.881 0.220 1.00 0.00 H new ATOM 115 N LYS A 25 -31.397 22.441 -0.861 1.00 0.00 N ATOM 116 CA LYS A 25 -30.616 21.233 -0.652 1.00 0.00 C ATOM 117 C LYS A 25 -29.623 21.067 -1.804 1.00 0.00 C ATOM 118 O LYS A 25 -29.871 20.305 -2.736 1.00 0.00 O ATOM 119 CB LYS A 25 -31.538 20.028 -0.455 1.00 0.00 C ATOM 120 CG LYS A 25 -32.061 19.967 0.982 1.00 0.00 C ATOM 121 CD LYS A 25 -33.542 20.345 1.042 1.00 0.00 C ATOM 122 CE LYS A 25 -34.412 19.258 0.407 1.00 0.00 C ATOM 123 NZ LYS A 25 -35.064 18.439 1.454 1.00 0.00 N ATOM 0 H LYS A 25 -31.594 22.657 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 25 -30.030 21.311 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -32.377 20.090 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -30.998 19.110 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -31.922 18.962 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -31.483 20.643 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -33.841 20.495 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -33.701 21.291 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -35.169 19.716 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -33.800 18.622 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -35.651 17.706 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -34.337 17.987 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -35.663 19.047 2.048 1.00 0.00 H new ATOM 133 N PHE A 26 -28.519 21.793 -1.700 1.00 0.00 N ATOM 134 CA PHE A 26 -27.487 21.734 -2.721 1.00 0.00 C ATOM 135 C PHE A 26 -26.302 22.630 -2.355 1.00 0.00 C ATOM 136 O PHE A 26 -25.826 23.407 -3.182 1.00 0.00 O ATOM 137 CB PHE A 26 -28.114 22.245 -4.020 1.00 0.00 C ATOM 138 CG PHE A 26 -28.999 23.480 -3.840 1.00 0.00 C ATOM 139 CD1 PHE A 26 -28.449 24.723 -3.880 1.00 0.00 C ATOM 140 CD2 PHE A 26 -30.337 23.335 -3.640 1.00 0.00 C ATOM 141 CE1 PHE A 26 -29.270 25.870 -3.714 1.00 0.00 C ATOM 142 CE2 PHE A 26 -31.158 24.482 -3.473 1.00 0.00 C ATOM 143 CZ PHE A 26 -30.607 25.724 -3.514 1.00 0.00 C ATOM 0 H PHE A 26 -28.317 22.425 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 26 -27.119 20.713 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -27.319 22.481 -4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -28.708 21.446 -4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -27.387 24.838 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -30.775 22.348 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -28.833 26.857 -3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -32.220 24.367 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 26 -31.232 26.596 -3.388 1.00 0.00 H new ATOM 152 N GLU A 27 -25.859 22.492 -1.114 1.00 0.00 N ATOM 153 CA GLU A 27 -24.738 23.279 -0.627 1.00 0.00 C ATOM 154 C GLU A 27 -24.520 23.026 0.866 1.00 0.00 C ATOM 155 O GLU A 27 -25.344 23.413 1.692 1.00 0.00 O ATOM 156 CB GLU A 27 -24.953 24.768 -0.905 1.00 0.00 C ATOM 157 CG GLU A 27 -26.438 25.129 -0.845 1.00 0.00 C ATOM 158 CD GLU A 27 -26.634 26.576 -0.386 1.00 0.00 C ATOM 159 OE1 GLU A 27 -25.607 27.211 -0.062 1.00 0.00 O ATOM 160 OE2 GLU A 27 -27.805 27.013 -0.369 1.00 0.00 O ATOM 0 H GLU A 27 -26.256 21.847 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 27 -23.841 22.968 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -24.401 25.361 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -24.554 25.019 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -26.889 24.991 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -26.952 24.454 -0.161 1.00 0.00 H new ATOM 165 N ARG A 28 -23.405 22.376 1.166 1.00 0.00 N ATOM 166 CA ARG A 28 -23.068 22.066 2.545 1.00 0.00 C ATOM 167 C ARG A 28 -21.559 22.199 2.766 1.00 0.00 C ATOM 168 O ARG A 28 -20.944 21.346 3.404 1.00 0.00 O ATOM 169 CB ARG A 28 -23.507 20.648 2.915 1.00 0.00 C ATOM 170 CG ARG A 28 -24.987 20.616 3.302 1.00 0.00 C ATOM 171 CD ARG A 28 -25.870 20.372 2.075 1.00 0.00 C ATOM 172 NE ARG A 28 -26.789 19.240 2.331 1.00 0.00 N ATOM 173 CZ ARG A 28 -26.468 17.954 2.135 1.00 0.00 C ATOM 174 NH1 ARG A 28 -25.251 17.628 1.681 1.00 0.00 N ATOM 175 NH2 ARG A 28 -27.367 16.993 2.394 1.00 0.00 N ATOM 0 H ARG A 28 -22.724 22.056 0.478 1.00 0.00 H new ATOM 0 HA ARG A 28 -23.596 22.775 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -23.333 19.978 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -22.902 20.281 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -25.157 19.831 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -25.264 21.560 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -26.442 21.271 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -25.248 20.157 1.206 1.00 0.00 H new ATOM 0 HE ARG A 28 -27.724 19.452 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -24.567 18.359 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -25.008 16.649 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -28.294 17.242 2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -27.124 16.014 2.245 1.00 0.00 H new ATOM 186 N GLN A 29 -21.007 23.275 2.224 1.00 0.00 N ATOM 187 CA GLN A 29 -19.583 23.531 2.354 1.00 0.00 C ATOM 188 C GLN A 29 -19.341 24.740 3.258 1.00 0.00 C ATOM 189 O GLN A 29 -18.986 24.587 4.426 1.00 0.00 O ATOM 190 CB GLN A 29 -18.934 23.732 0.983 1.00 0.00 C ATOM 191 CG GLN A 29 -17.721 22.818 0.810 1.00 0.00 C ATOM 192 CD GLN A 29 -17.799 22.043 -0.508 1.00 0.00 C ATOM 193 OE1 GLN A 29 -18.610 22.325 -1.374 1.00 0.00 O ATOM 194 NE2 GLN A 29 -16.914 21.056 -0.609 1.00 0.00 N ATOM 0 H GLN A 29 -21.520 23.979 1.694 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.118 22.659 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -19.663 23.527 0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.629 24.772 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.808 23.412 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.667 22.119 1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.263 20.874 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.886 20.480 -1.451 1.00 0.00 H new ATOM 201 N HIS A 30 -19.542 25.918 2.684 1.00 0.00 N ATOM 202 CA HIS A 30 -19.349 27.154 3.424 1.00 0.00 C ATOM 203 C HIS A 30 -18.153 27.008 4.365 1.00 0.00 C ATOM 204 O HIS A 30 -18.130 27.601 5.442 1.00 0.00 O ATOM 205 CB HIS A 30 -20.632 27.556 4.153 1.00 0.00 C ATOM 206 CG HIS A 30 -21.047 26.593 5.240 1.00 0.00 C ATOM 207 ND1 HIS A 30 -22.370 26.289 5.508 1.00 0.00 N ATOM 208 CD2 HIS A 30 -20.300 25.870 6.124 1.00 0.00 C ATOM 209 CE1 HIS A 30 -22.406 25.421 6.509 1.00 0.00 C ATOM 210 NE2 HIS A 30 -21.122 25.164 6.890 1.00 0.00 N ATOM 0 H HIS A 30 -19.836 26.042 1.715 1.00 0.00 H new ATOM 0 HA HIS A 30 -19.124 27.965 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -20.495 28.545 4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -21.440 27.638 3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -19.222 25.872 6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -23.296 24.993 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -20.840 24.533 7.640 1.00 0.00 H new ATOM 217 N MET A 31 -17.186 26.215 3.924 1.00 0.00 N ATOM 218 CA MET A 31 -15.989 25.984 4.714 1.00 0.00 C ATOM 219 C MET A 31 -14.743 25.956 3.826 1.00 0.00 C ATOM 220 O MET A 31 -14.729 25.292 2.790 1.00 0.00 O ATOM 221 CB MET A 31 -16.117 24.651 5.456 1.00 0.00 C ATOM 222 CG MET A 31 -15.808 23.475 4.527 1.00 0.00 C ATOM 223 SD MET A 31 -15.995 21.935 5.411 1.00 0.00 S ATOM 224 CE MET A 31 -17.003 21.031 4.248 1.00 0.00 C ATOM 0 H MET A 31 -17.208 25.725 3.030 1.00 0.00 H new ATOM 0 HA MET A 31 -15.885 26.800 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 31 -15.435 24.637 6.306 1.00 0.00 H new ATOM 0 HB3 MET A 31 -17.126 24.548 5.855 1.00 0.00 H new ATOM 0 HG2 MET A 31 -16.478 23.494 3.667 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.792 23.562 4.142 1.00 0.00 H new ATOM 0 HE1 MET A 31 -17.054 19.984 4.547 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.008 21.453 4.232 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.564 21.103 3.253 1.00 0.00 H new ATOM 232 N ASP A 32 -13.727 26.686 4.264 1.00 0.00 N ATOM 233 CA ASP A 32 -12.480 26.754 3.523 1.00 0.00 C ATOM 234 C ASP A 32 -11.306 26.733 4.504 1.00 0.00 C ATOM 235 O ASP A 32 -11.173 27.629 5.335 1.00 0.00 O ATOM 236 CB ASP A 32 -12.394 28.047 2.709 1.00 0.00 C ATOM 237 CG ASP A 32 -13.206 29.216 3.265 1.00 0.00 C ATOM 238 OD1 ASP A 32 -14.449 29.157 3.134 1.00 0.00 O ATOM 239 OD2 ASP A 32 -12.568 30.144 3.808 1.00 0.00 O ATOM 0 H ASP A 32 -13.743 27.235 5.123 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.442 25.899 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.349 28.349 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.730 27.842 1.693 1.00 0.00 H new ATOM 243 N SER A 33 -10.487 25.701 4.374 1.00 0.00 N ATOM 244 CA SER A 33 -9.329 25.552 5.239 1.00 0.00 C ATOM 245 C SER A 33 -8.219 24.797 4.502 1.00 0.00 C ATOM 246 O SER A 33 -8.494 23.998 3.609 1.00 0.00 O ATOM 247 CB SER A 33 -9.698 24.823 6.532 1.00 0.00 C ATOM 248 OG SER A 33 -10.591 25.586 7.339 1.00 0.00 O ATOM 0 H SER A 33 -10.602 24.960 3.683 1.00 0.00 H new ATOM 0 HA SER A 33 -8.970 26.546 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.157 23.865 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.792 24.608 7.098 1.00 0.00 H new ATOM 0 HG SER A 33 -10.804 25.086 8.154 1.00 0.00 H new ATOM 253 N PRO A 34 -6.956 25.086 4.916 1.00 0.00 N ATOM 254 CA PRO A 34 -5.804 24.444 4.305 1.00 0.00 C ATOM 255 C PRO A 34 -5.666 22.996 4.782 1.00 0.00 C ATOM 256 O PRO A 34 -6.618 22.418 5.306 1.00 0.00 O ATOM 257 CB PRO A 34 -4.619 25.312 4.694 1.00 0.00 C ATOM 258 CG PRO A 34 -5.080 26.139 5.883 1.00 0.00 C ATOM 259 CD PRO A 34 -6.592 26.027 5.971 1.00 0.00 C ATOM 0 HA PRO A 34 -5.889 24.370 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.756 24.700 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.316 25.953 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.617 25.778 6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.781 27.180 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.906 25.665 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.070 26.995 5.821 1.00 0.00 H new ATOM 264 N ASP A 35 -4.475 22.453 4.584 1.00 0.00 N ATOM 265 CA ASP A 35 -4.200 21.084 4.987 1.00 0.00 C ATOM 266 C ASP A 35 -3.409 21.091 6.297 1.00 0.00 C ATOM 267 O ASP A 35 -2.511 21.911 6.478 1.00 0.00 O ATOM 268 CB ASP A 35 -3.364 20.357 3.933 1.00 0.00 C ATOM 269 CG ASP A 35 -3.824 20.560 2.488 1.00 0.00 C ATOM 270 OD1 ASP A 35 -4.997 20.957 2.317 1.00 0.00 O ATOM 271 OD2 ASP A 35 -2.993 20.314 1.587 1.00 0.00 O ATOM 0 H ASP A 35 -3.689 22.936 4.150 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.154 20.570 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.330 20.690 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.375 19.290 4.155 1.00 0.00 H new ATOM 275 N LEU A 36 -3.772 20.169 7.175 1.00 0.00 N ATOM 276 CA LEU A 36 -3.107 20.058 8.462 1.00 0.00 C ATOM 277 C LEU A 36 -2.689 18.604 8.692 1.00 0.00 C ATOM 278 O LEU A 36 -1.499 18.297 8.746 1.00 0.00 O ATOM 279 CB LEU A 36 -3.993 20.627 9.573 1.00 0.00 C ATOM 280 CG LEU A 36 -3.365 21.726 10.434 1.00 0.00 C ATOM 281 CD1 LEU A 36 -4.236 22.984 10.435 1.00 0.00 C ATOM 282 CD2 LEU A 36 -3.085 21.221 11.850 1.00 0.00 C ATOM 0 H LEU A 36 -4.519 19.491 7.021 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.196 20.657 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.902 21.023 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.294 19.808 10.226 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.405 21.998 9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.768 23.750 11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.341 23.355 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.221 22.745 10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.639 22.022 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.019 20.904 12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.397 20.377 11.806 1.00 0.00 H new ATOM 293 N GLY A 37 -3.691 17.748 8.823 1.00 0.00 N ATOM 294 CA GLY A 37 -3.444 16.334 9.047 1.00 0.00 C ATOM 295 C GLY A 37 -3.764 15.943 10.491 1.00 0.00 C ATOM 296 O GLY A 37 -3.118 15.061 11.056 1.00 0.00 O ATOM 0 H GLY A 37 -4.677 18.007 8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.052 15.742 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.402 16.104 8.827 1.00 0.00 H new ATOM 300 N THR A 38 -4.760 16.617 11.047 1.00 0.00 N ATOM 301 CA THR A 38 -5.174 16.350 12.413 1.00 0.00 C ATOM 302 C THR A 38 -6.190 15.207 12.449 1.00 0.00 C ATOM 303 O THR A 38 -6.650 14.815 13.521 1.00 0.00 O ATOM 304 CB THR A 38 -5.705 17.655 13.008 1.00 0.00 C ATOM 305 OG1 THR A 38 -4.589 18.540 12.959 1.00 0.00 O ATOM 306 CG2 THR A 38 -6.016 17.534 14.502 1.00 0.00 C ATOM 0 H THR A 38 -5.292 17.348 10.575 1.00 0.00 H new ATOM 0 HA THR A 38 -4.335 16.015 13.023 1.00 0.00 H new ATOM 0 HB THR A 38 -6.605 17.957 12.472 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.728 19.277 13.590 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.390 18.488 14.874 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.772 16.764 14.655 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.108 17.264 15.042 1.00 0.00 H new ATOM 314 N THR A 39 -6.510 14.705 11.266 1.00 0.00 N ATOM 315 CA THR A 39 -7.463 13.615 11.149 1.00 0.00 C ATOM 316 C THR A 39 -7.568 13.151 9.695 1.00 0.00 C ATOM 317 O THR A 39 -8.660 13.118 9.128 1.00 0.00 O ATOM 318 CB THR A 39 -8.797 14.087 11.734 1.00 0.00 C ATOM 319 OG1 THR A 39 -9.659 12.963 11.585 1.00 0.00 O ATOM 320 CG2 THR A 39 -9.455 15.177 10.886 1.00 0.00 C ATOM 0 H THR A 39 -6.126 15.033 10.380 1.00 0.00 H new ATOM 0 HA THR A 39 -7.135 12.742 11.713 1.00 0.00 H new ATOM 0 HB THR A 39 -8.638 14.461 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.692 12.698 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.397 15.476 11.345 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.792 16.040 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.645 14.793 9.884 1.00 0.00 H new ATOM 328 N LEU A 40 -6.420 12.806 9.133 1.00 0.00 N ATOM 329 CA LEU A 40 -6.368 12.346 7.756 1.00 0.00 C ATOM 330 C LEU A 40 -7.590 11.471 7.469 1.00 0.00 C ATOM 331 O LEU A 40 -7.596 10.284 7.791 1.00 0.00 O ATOM 332 CB LEU A 40 -5.035 11.654 7.471 1.00 0.00 C ATOM 333 CG LEU A 40 -3.957 12.518 6.814 1.00 0.00 C ATOM 334 CD1 LEU A 40 -2.758 12.703 7.745 1.00 0.00 C ATOM 335 CD2 LEU A 40 -3.544 11.943 5.457 1.00 0.00 C ATOM 0 H LEU A 40 -5.517 12.836 9.607 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.413 13.192 7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.640 11.268 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.225 10.794 6.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.378 13.507 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.007 13.321 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.083 13.190 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.328 11.730 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.777 12.576 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.149 10.936 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.412 11.906 4.798 1.00 0.00 H new ATOM 346 N LEU A 41 -8.594 12.090 6.868 1.00 0.00 N ATOM 347 CA LEU A 41 -9.818 11.381 6.534 1.00 0.00 C ATOM 348 C LEU A 41 -9.724 10.856 5.101 1.00 0.00 C ATOM 349 O LEU A 41 -10.740 10.696 4.426 1.00 0.00 O ATOM 350 CB LEU A 41 -11.038 12.271 6.784 1.00 0.00 C ATOM 351 CG LEU A 41 -11.237 13.428 5.801 1.00 0.00 C ATOM 352 CD1 LEU A 41 -12.348 13.109 4.799 1.00 0.00 C ATOM 353 CD2 LEU A 41 -11.493 14.740 6.544 1.00 0.00 C ATOM 0 H LEU A 41 -8.586 13.075 6.603 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.945 10.515 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.930 11.645 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.962 12.684 7.790 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.317 13.556 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.470 13.946 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.084 12.213 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.283 12.940 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.631 15.546 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.390 14.643 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.641 14.968 7.184 1.00 0.00 H new ATOM 364 N GLU A 42 -8.494 10.601 4.677 1.00 0.00 N ATOM 365 CA GLU A 42 -8.254 10.096 3.336 1.00 0.00 C ATOM 366 C GLU A 42 -8.250 11.248 2.329 1.00 0.00 C ATOM 367 O GLU A 42 -9.013 11.235 1.364 1.00 0.00 O ATOM 368 CB GLU A 42 -9.291 9.037 2.955 1.00 0.00 C ATOM 369 CG GLU A 42 -8.618 7.807 2.343 1.00 0.00 C ATOM 370 CD GLU A 42 -8.819 6.575 3.228 1.00 0.00 C ATOM 371 OE1 GLU A 42 -8.530 6.693 4.439 1.00 0.00 O ATOM 372 OE2 GLU A 42 -9.256 5.543 2.675 1.00 0.00 O ATOM 0 H GLU A 42 -7.653 10.735 5.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.274 9.619 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.858 8.744 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.002 9.458 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.030 7.618 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.552 7.997 2.215 1.00 0.00 H new ATOM 377 N GLN A 43 -7.383 12.215 2.588 1.00 0.00 N ATOM 378 CA GLN A 43 -7.269 13.371 1.715 1.00 0.00 C ATOM 379 C GLN A 43 -7.471 12.958 0.256 1.00 0.00 C ATOM 380 O GLN A 43 -7.202 11.815 -0.112 1.00 0.00 O ATOM 381 CB GLN A 43 -5.923 14.071 1.906 1.00 0.00 C ATOM 382 CG GLN A 43 -5.742 14.528 3.355 1.00 0.00 C ATOM 383 CD GLN A 43 -5.427 16.023 3.423 1.00 0.00 C ATOM 384 OE1 GLN A 43 -5.346 16.714 2.421 1.00 0.00 O ATOM 385 NE2 GLN A 43 -5.256 16.484 4.659 1.00 0.00 N ATOM 0 H GLN A 43 -6.753 12.222 3.390 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.052 14.081 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.115 13.393 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.859 14.931 1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.649 14.318 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.936 13.961 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.338 15.852 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.043 17.470 4.811 1.00 0.00 H new ATOM 392 N TYR A 44 -7.945 13.910 -0.535 1.00 0.00 N ATOM 393 CA TYR A 44 -8.185 13.658 -1.946 1.00 0.00 C ATOM 394 C TYR A 44 -6.870 13.456 -2.700 1.00 0.00 C ATOM 395 O TYR A 44 -6.229 14.424 -3.109 1.00 0.00 O ATOM 396 CB TYR A 44 -8.880 14.910 -2.485 1.00 0.00 C ATOM 397 CG TYR A 44 -10.379 14.970 -2.179 1.00 0.00 C ATOM 398 CD1 TYR A 44 -10.815 15.006 -0.870 1.00 0.00 C ATOM 399 CD2 TYR A 44 -11.294 14.988 -3.212 1.00 0.00 C ATOM 400 CE1 TYR A 44 -12.225 15.062 -0.584 1.00 0.00 C ATOM 401 CE2 TYR A 44 -12.703 15.045 -2.925 1.00 0.00 C ATOM 402 CZ TYR A 44 -13.100 15.079 -1.625 1.00 0.00 C ATOM 403 OH TYR A 44 -14.432 15.132 -1.353 1.00 0.00 O ATOM 0 H TYR A 44 -8.169 14.856 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.784 12.757 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.398 15.791 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.738 14.956 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.099 14.992 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.952 14.959 -4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.580 15.090 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.429 15.060 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.937 15.139 -2.193 1.00 0.00 H new ATOM 412 N CYS A 45 -6.505 12.192 -2.860 1.00 0.00 N ATOM 413 CA CYS A 45 -5.276 11.851 -3.557 1.00 0.00 C ATOM 414 C CYS A 45 -5.242 12.627 -4.876 1.00 0.00 C ATOM 415 O CYS A 45 -4.556 13.642 -4.985 1.00 0.00 O ATOM 416 CB CYS A 45 -5.152 10.343 -3.779 1.00 0.00 C ATOM 417 SG CYS A 45 -5.036 9.350 -2.247 1.00 0.00 S ATOM 0 H CYS A 45 -7.038 11.392 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.418 12.134 -2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.014 10.002 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.269 10.151 -4.388 1.00 0.00 H new ATOM 421 N HIS A 46 -5.989 12.118 -5.845 1.00 0.00 N ATOM 422 CA HIS A 46 -6.052 12.750 -7.152 1.00 0.00 C ATOM 423 C HIS A 46 -7.394 12.429 -7.812 1.00 0.00 C ATOM 424 O HIS A 46 -8.122 13.334 -8.220 1.00 0.00 O ATOM 425 CB HIS A 46 -4.855 12.340 -8.012 1.00 0.00 C ATOM 426 CG HIS A 46 -5.167 12.227 -9.485 1.00 0.00 C ATOM 427 ND1 HIS A 46 -4.688 13.124 -10.424 1.00 0.00 N ATOM 428 CD2 HIS A 46 -5.913 11.314 -10.172 1.00 0.00 C ATOM 429 CE1 HIS A 46 -5.132 12.759 -11.617 1.00 0.00 C ATOM 430 NE2 HIS A 46 -5.893 11.637 -11.458 1.00 0.00 N ATOM 0 H HIS A 46 -6.556 11.275 -5.751 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.991 13.833 -7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.056 13.069 -7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.477 11.382 -7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.432 10.471 -9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.928 13.261 -12.551 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.368 11.131 -12.205 1.00 0.00 H new ATOM 437 N ARG A 47 -7.682 11.139 -7.899 1.00 0.00 N ATOM 438 CA ARG A 47 -8.924 10.688 -8.503 1.00 0.00 C ATOM 439 C ARG A 47 -10.069 10.781 -7.493 1.00 0.00 C ATOM 440 O ARG A 47 -10.952 11.628 -7.627 1.00 0.00 O ATOM 441 CB ARG A 47 -8.804 9.244 -8.997 1.00 0.00 C ATOM 442 CG ARG A 47 -9.781 8.975 -10.143 1.00 0.00 C ATOM 443 CD ARG A 47 -9.160 9.345 -11.491 1.00 0.00 C ATOM 444 NE ARG A 47 -10.227 9.633 -12.477 1.00 0.00 N ATOM 445 CZ ARG A 47 -9.997 9.973 -13.753 1.00 0.00 C ATOM 446 NH1 ARG A 47 -8.740 10.070 -14.205 1.00 0.00 N ATOM 447 NH2 ARG A 47 -11.027 10.217 -14.576 1.00 0.00 N ATOM 0 H ARG A 47 -7.076 10.391 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.133 11.335 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.784 9.054 -9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.004 8.557 -8.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.063 7.922 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.694 9.550 -9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.514 10.216 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.533 8.528 -11.849 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.196 9.569 -12.166 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.957 9.885 -13.578 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.566 10.329 -15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.984 10.144 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.854 10.476 -15.547 1.00 0.00 H new ATOM 458 N THR A 48 -10.019 9.899 -6.506 1.00 0.00 N ATOM 459 CA THR A 48 -11.042 9.871 -5.475 1.00 0.00 C ATOM 460 C THR A 48 -12.397 9.496 -6.077 1.00 0.00 C ATOM 461 O THR A 48 -12.998 8.496 -5.688 1.00 0.00 O ATOM 462 CB THR A 48 -11.044 11.231 -4.774 1.00 0.00 C ATOM 463 OG1 THR A 48 -11.888 12.040 -5.589 1.00 0.00 O ATOM 464 CG2 THR A 48 -9.682 11.926 -4.841 1.00 0.00 C ATOM 0 H THR A 48 -9.286 9.198 -6.398 1.00 0.00 H new ATOM 0 HA THR A 48 -10.830 9.105 -4.729 1.00 0.00 H new ATOM 0 HB THR A 48 -11.334 11.102 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.397 12.322 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.738 12.887 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.930 11.301 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.406 12.086 -5.883 1.00 0.00 H new ATOM 472 N THR A 49 -12.838 10.317 -7.018 1.00 0.00 N ATOM 473 CA THR A 49 -14.112 10.084 -7.679 1.00 0.00 C ATOM 474 C THR A 49 -15.250 10.086 -6.658 1.00 0.00 C ATOM 475 O THR A 49 -15.054 9.710 -5.502 1.00 0.00 O ATOM 476 CB THR A 49 -14.003 8.777 -8.466 1.00 0.00 C ATOM 477 OG1 THR A 49 -14.652 9.062 -9.703 1.00 0.00 O ATOM 478 CG2 THR A 49 -14.843 7.654 -7.855 1.00 0.00 C ATOM 0 H THR A 49 -12.336 11.145 -7.339 1.00 0.00 H new ATOM 0 HA THR A 49 -14.347 10.884 -8.381 1.00 0.00 H new ATOM 0 HB THR A 49 -12.959 8.466 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.626 8.268 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.730 6.749 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.507 7.461 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.892 7.951 -7.841 1.00 0.00 H new ATOM 486 N ILE A 50 -16.416 10.514 -7.119 1.00 0.00 N ATOM 487 CA ILE A 50 -17.587 10.569 -6.260 1.00 0.00 C ATOM 488 C ILE A 50 -17.200 11.195 -4.918 1.00 0.00 C ATOM 489 O ILE A 50 -16.101 11.728 -4.772 1.00 0.00 O ATOM 490 CB ILE A 50 -18.223 9.184 -6.131 1.00 0.00 C ATOM 491 CG1 ILE A 50 -19.743 9.262 -6.285 1.00 0.00 C ATOM 492 CG2 ILE A 50 -17.814 8.512 -4.819 1.00 0.00 C ATOM 493 CD1 ILE A 50 -20.294 7.996 -6.944 1.00 0.00 C ATOM 0 H ILE A 50 -16.575 10.826 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.353 11.206 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 50 -17.848 8.560 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -20.205 9.397 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -20.007 10.133 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -18.280 7.529 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.730 8.402 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.140 9.125 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.377 8.078 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -19.849 7.877 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -20.050 7.130 -6.329 1.00 0.00 H new ATOM 504 N GLY A 51 -18.125 11.109 -3.973 1.00 0.00 N ATOM 505 CA GLY A 51 -17.894 11.661 -2.649 1.00 0.00 C ATOM 506 C GLY A 51 -18.418 10.718 -1.564 1.00 0.00 C ATOM 507 O GLY A 51 -19.499 10.934 -1.018 1.00 0.00 O ATOM 0 H GLY A 51 -19.035 10.666 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.827 11.832 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.387 12.629 -2.564 1.00 0.00 H new ATOM 511 N ASN A 52 -17.628 9.692 -1.284 1.00 0.00 N ATOM 512 CA ASN A 52 -17.999 8.716 -0.273 1.00 0.00 C ATOM 513 C ASN A 52 -16.918 7.636 -0.194 1.00 0.00 C ATOM 514 O ASN A 52 -16.201 7.542 0.801 1.00 0.00 O ATOM 515 CB ASN A 52 -19.323 8.034 -0.626 1.00 0.00 C ATOM 516 CG ASN A 52 -19.763 7.082 0.487 1.00 0.00 C ATOM 517 OD1 ASN A 52 -19.467 7.272 1.656 1.00 0.00 O ATOM 518 ND2 ASN A 52 -20.483 6.048 0.062 1.00 0.00 N ATOM 0 H ASN A 52 -16.733 9.515 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.104 9.238 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.093 8.788 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.214 7.482 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.823 5.355 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.695 5.948 -0.931 1.00 0.00 H new ATOM 524 N PHE A 53 -16.835 6.847 -1.256 1.00 0.00 N ATOM 525 CA PHE A 53 -15.854 5.777 -1.318 1.00 0.00 C ATOM 526 C PHE A 53 -15.944 5.026 -2.648 1.00 0.00 C ATOM 527 O PHE A 53 -14.992 5.014 -3.425 1.00 0.00 O ATOM 528 CB PHE A 53 -16.173 4.809 -0.177 1.00 0.00 C ATOM 529 CG PHE A 53 -14.971 3.994 0.303 1.00 0.00 C ATOM 530 CD1 PHE A 53 -13.827 4.625 0.678 1.00 0.00 C ATOM 531 CD2 PHE A 53 -15.047 2.636 0.354 1.00 0.00 C ATOM 532 CE1 PHE A 53 -12.711 3.868 1.123 1.00 0.00 C ATOM 533 CE2 PHE A 53 -13.931 1.880 0.799 1.00 0.00 C ATOM 534 CZ PHE A 53 -12.786 2.511 1.174 1.00 0.00 C ATOM 0 H PHE A 53 -17.431 6.928 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.849 6.190 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.574 5.375 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.956 4.124 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -13.767 5.703 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.956 2.134 0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.802 4.370 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -13.991 0.802 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.937 1.935 1.512 1.00 0.00 H new ATOM 543 N SER A 54 -17.101 4.418 -2.869 1.00 0.00 N ATOM 544 CA SER A 54 -17.329 3.666 -4.092 1.00 0.00 C ATOM 545 C SER A 54 -18.379 4.373 -4.952 1.00 0.00 C ATOM 546 O SER A 54 -19.288 5.013 -4.427 1.00 0.00 O ATOM 547 CB SER A 54 -17.772 2.235 -3.784 1.00 0.00 C ATOM 548 OG SER A 54 -18.894 2.199 -2.908 1.00 0.00 O ATOM 0 H SER A 54 -17.890 4.431 -2.222 1.00 0.00 H new ATOM 0 HA SER A 54 -16.390 3.616 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.022 1.725 -4.714 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.943 1.688 -3.334 1.00 0.00 H new ATOM 0 HG SER A 54 -19.146 1.267 -2.738 1.00 0.00 H new ATOM 553 N GLY A 55 -18.218 4.232 -6.260 1.00 0.00 N ATOM 554 CA GLY A 55 -19.142 4.849 -7.197 1.00 0.00 C ATOM 555 C GLY A 55 -19.518 3.876 -8.317 1.00 0.00 C ATOM 556 O GLY A 55 -19.775 2.700 -8.061 1.00 0.00 O ATOM 0 H GLY A 55 -17.463 3.700 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.041 5.168 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.689 5.744 -7.624 1.00 0.00 H new ATOM 560 N PRO A 56 -19.539 4.415 -9.564 1.00 0.00 N ATOM 561 CA PRO A 56 -19.880 3.608 -10.724 1.00 0.00 C ATOM 562 C PRO A 56 -18.723 2.683 -11.106 1.00 0.00 C ATOM 563 O PRO A 56 -17.868 2.378 -10.278 1.00 0.00 O ATOM 564 CB PRO A 56 -20.224 4.610 -11.813 1.00 0.00 C ATOM 565 CG PRO A 56 -19.619 5.932 -11.371 1.00 0.00 C ATOM 566 CD PRO A 56 -19.241 5.804 -9.904 1.00 0.00 C ATOM 0 HA PRO A 56 -20.720 2.938 -10.539 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.817 4.297 -12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -21.303 4.697 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.741 6.170 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -20.332 6.744 -11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.187 6.033 -9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -19.814 6.495 -9.286 1.00 0.00 H new ATOM 571 N TYR A 57 -18.736 2.262 -12.362 1.00 0.00 N ATOM 572 CA TYR A 57 -17.698 1.379 -12.866 1.00 0.00 C ATOM 573 C TYR A 57 -17.387 0.268 -11.858 1.00 0.00 C ATOM 574 O TYR A 57 -18.041 0.166 -10.822 1.00 0.00 O ATOM 575 CB TYR A 57 -16.453 2.249 -13.046 1.00 0.00 C ATOM 576 CG TYR A 57 -15.924 2.856 -11.746 1.00 0.00 C ATOM 577 CD1 TYR A 57 -15.290 2.055 -10.817 1.00 0.00 C ATOM 578 CD2 TYR A 57 -16.081 4.205 -11.500 1.00 0.00 C ATOM 579 CE1 TYR A 57 -14.792 2.627 -9.593 1.00 0.00 C ATOM 580 CE2 TYR A 57 -15.584 4.776 -10.275 1.00 0.00 C ATOM 581 CZ TYR A 57 -14.964 3.959 -9.383 1.00 0.00 C ATOM 582 OH TYR A 57 -14.493 4.500 -8.226 1.00 0.00 O ATOM 0 H TYR A 57 -19.449 2.516 -13.046 1.00 0.00 H new ATOM 0 HA TYR A 57 -18.015 0.906 -13.795 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -15.665 1.648 -13.501 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -16.683 3.054 -13.744 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.168 0.999 -11.008 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -16.577 4.832 -12.226 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.293 2.012 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.701 5.830 -10.070 1.00 0.00 H new ATOM 0 HH TYR A 57 -14.295 3.784 -7.587 1.00 0.00 H new ATOM 591 N THR A 58 -16.390 -0.535 -12.199 1.00 0.00 N ATOM 592 CA THR A 58 -15.986 -1.633 -11.338 1.00 0.00 C ATOM 593 C THR A 58 -14.477 -1.865 -11.444 1.00 0.00 C ATOM 594 O THR A 58 -13.976 -2.909 -11.028 1.00 0.00 O ATOM 595 CB THR A 58 -16.818 -2.860 -11.715 1.00 0.00 C ATOM 596 OG1 THR A 58 -18.147 -2.359 -11.820 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.895 -3.885 -10.581 1.00 0.00 C ATOM 0 H THR A 58 -15.850 -0.447 -13.060 1.00 0.00 H new ATOM 0 HA THR A 58 -16.175 -1.405 -10.289 1.00 0.00 H new ATOM 0 HB THR A 58 -16.392 -3.330 -12.601 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.754 -3.089 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.497 -4.736 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.890 -4.225 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.353 -3.425 -9.705 1.00 0.00 H new ATOM 605 N TYR A 59 -13.796 -0.877 -12.004 1.00 0.00 N ATOM 606 CA TYR A 59 -12.355 -0.961 -12.169 1.00 0.00 C ATOM 607 C TYR A 59 -11.631 -0.573 -10.879 1.00 0.00 C ATOM 608 O TYR A 59 -12.268 -0.232 -9.884 1.00 0.00 O ATOM 609 CB TYR A 59 -11.997 0.046 -13.264 1.00 0.00 C ATOM 610 CG TYR A 59 -12.520 1.461 -13.003 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.082 2.165 -11.899 1.00 0.00 C ATOM 612 CD2 TYR A 59 -13.428 2.032 -13.871 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.574 3.496 -11.653 1.00 0.00 C ATOM 614 CE2 TYR A 59 -13.919 3.364 -13.625 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.469 4.029 -12.529 1.00 0.00 C ATOM 616 OH TYR A 59 -13.932 5.286 -12.296 1.00 0.00 O ATOM 0 H TYR A 59 -14.215 -0.014 -12.349 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.057 -1.978 -12.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.913 0.084 -13.368 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.396 -0.309 -14.214 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.371 1.718 -11.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.770 1.481 -14.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.240 4.058 -10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.629 3.824 -14.297 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.774 5.237 -11.796 1.00 0.00 H new ATOM 625 N CYS A 60 -10.309 -0.637 -10.938 1.00 0.00 N ATOM 626 CA CYS A 60 -9.491 -0.297 -9.786 1.00 0.00 C ATOM 627 C CYS A 60 -9.602 1.211 -9.547 1.00 0.00 C ATOM 628 O CYS A 60 -9.351 2.006 -10.452 1.00 0.00 O ATOM 629 CB CYS A 60 -8.039 -0.740 -9.972 1.00 0.00 C ATOM 630 SG CYS A 60 -7.827 -2.299 -10.908 1.00 0.00 S ATOM 0 H CYS A 60 -9.784 -0.919 -11.766 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.854 -0.831 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.495 0.053 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.581 -0.857 -8.990 1.00 0.00 H new ATOM 634 N ASN A 61 -9.976 1.558 -8.324 1.00 0.00 N ATOM 635 CA ASN A 61 -10.123 2.956 -7.955 1.00 0.00 C ATOM 636 C ASN A 61 -8.966 3.360 -7.038 1.00 0.00 C ATOM 637 O ASN A 61 -8.285 2.503 -6.477 1.00 0.00 O ATOM 638 CB ASN A 61 -11.431 3.191 -7.198 1.00 0.00 C ATOM 639 CG ASN A 61 -11.577 4.660 -6.800 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.528 5.562 -7.622 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.758 4.852 -5.496 1.00 0.00 N ATOM 0 H ASN A 61 -10.182 0.895 -7.576 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.125 3.549 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.274 2.894 -7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.457 2.565 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.866 5.798 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.789 4.053 -4.862 1.00 0.00 H new ATOM 647 N THR A 62 -8.781 4.666 -6.915 1.00 0.00 N ATOM 648 CA THR A 62 -7.719 5.195 -6.076 1.00 0.00 C ATOM 649 C THR A 62 -7.854 4.665 -4.647 1.00 0.00 C ATOM 650 O THR A 62 -8.895 4.836 -4.014 1.00 0.00 O ATOM 651 CB THR A 62 -7.762 6.722 -6.165 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.676 7.050 -7.027 1.00 0.00 O ATOM 653 CG2 THR A 62 -7.402 7.396 -4.839 1.00 0.00 C ATOM 0 H THR A 62 -9.348 5.373 -7.382 1.00 0.00 H new ATOM 0 HA THR A 62 -6.740 4.863 -6.421 1.00 0.00 H new ATOM 0 HB THR A 62 -8.757 7.040 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.845 6.680 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.448 8.479 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.108 7.085 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.393 7.105 -4.545 1.00 0.00 H new ATOM 661 N THR A 63 -6.788 4.033 -4.181 1.00 0.00 N ATOM 662 CA THR A 63 -6.775 3.477 -2.838 1.00 0.00 C ATOM 663 C THR A 63 -5.345 3.432 -2.293 1.00 0.00 C ATOM 664 O THR A 63 -4.384 3.483 -3.059 1.00 0.00 O ATOM 665 CB THR A 63 -7.450 2.106 -2.887 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.843 2.402 -2.830 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.193 1.280 -1.625 1.00 0.00 C ATOM 0 H THR A 63 -5.927 3.893 -4.709 1.00 0.00 H new ATOM 0 HA THR A 63 -7.334 4.105 -2.145 1.00 0.00 H new ATOM 0 HB THR A 63 -7.093 1.557 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.998 3.311 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.695 0.316 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.121 1.122 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.580 1.813 -0.756 1.00 0.00 H new ATOM 675 N LEU A 64 -5.251 3.335 -0.976 1.00 0.00 N ATOM 676 CA LEU A 64 -3.955 3.282 -0.320 1.00 0.00 C ATOM 677 C LEU A 64 -3.854 1.992 0.497 1.00 0.00 C ATOM 678 O LEU A 64 -4.720 1.707 1.324 1.00 0.00 O ATOM 679 CB LEU A 64 -3.718 4.550 0.502 1.00 0.00 C ATOM 680 CG LEU A 64 -4.845 4.951 1.457 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.401 4.817 2.916 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.357 6.358 1.141 1.00 0.00 C ATOM 0 H LEU A 64 -6.051 3.292 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.155 3.255 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.806 4.417 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.540 5.377 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.678 4.264 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.220 5.108 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.123 3.783 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.543 5.465 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.157 6.618 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.541 7.074 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.738 6.386 0.120 1.00 0.00 H new ATOM 693 N ASP A 65 -2.792 1.246 0.237 1.00 0.00 N ATOM 694 CA ASP A 65 -2.567 -0.007 0.938 1.00 0.00 C ATOM 695 C ASP A 65 -1.705 0.254 2.175 1.00 0.00 C ATOM 696 O ASP A 65 -1.462 1.403 2.536 1.00 0.00 O ATOM 697 CB ASP A 65 -1.827 -1.009 0.049 1.00 0.00 C ATOM 698 CG ASP A 65 -2.151 -2.479 0.324 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.346 -2.829 0.206 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.198 -3.221 0.646 1.00 0.00 O ATOM 0 H ASP A 65 -2.077 1.485 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.538 -0.418 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.061 -0.790 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.754 -0.859 0.173 1.00 0.00 H new ATOM 704 N GLN A 66 -1.268 -0.834 2.791 1.00 0.00 N ATOM 705 CA GLN A 66 -0.439 -0.739 3.981 1.00 0.00 C ATOM 706 C GLN A 66 0.565 0.406 3.837 1.00 0.00 C ATOM 707 O GLN A 66 0.966 1.014 4.828 1.00 0.00 O ATOM 708 CB GLN A 66 0.275 -2.063 4.260 1.00 0.00 C ATOM 709 CG GLN A 66 0.530 -2.243 5.757 1.00 0.00 C ATOM 710 CD GLN A 66 0.676 -3.723 6.115 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.233 -4.521 5.950 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.867 -4.046 6.612 1.00 0.00 N ATOM 0 H GLN A 66 -1.472 -1.786 2.489 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.084 -0.526 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.328 -2.891 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.222 -2.091 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.434 -1.705 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.292 -1.807 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.584 -3.329 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.063 -5.010 6.881 1.00 0.00 H new ATOM 719 N ILE A 67 0.945 0.665 2.594 1.00 0.00 N ATOM 720 CA ILE A 67 1.895 1.726 2.308 1.00 0.00 C ATOM 721 C ILE A 67 1.133 3.011 1.975 1.00 0.00 C ATOM 722 O ILE A 67 0.554 3.133 0.897 1.00 0.00 O ATOM 723 CB ILE A 67 2.872 1.290 1.213 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.123 0.746 -0.005 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.890 0.286 1.756 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.056 0.619 -1.211 1.00 0.00 C ATOM 0 H ILE A 67 0.612 0.158 1.774 1.00 0.00 H new ATOM 0 HA ILE A 67 2.507 1.935 3.185 1.00 0.00 H new ATOM 0 HB ILE A 67 3.429 2.167 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.695 -0.228 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.293 1.408 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.572 -0.008 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.456 0.744 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.368 -0.595 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.498 0.230 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.463 1.599 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.872 -0.062 -0.970 1.00 0.00 H new ATOM 737 N GLY A 68 1.160 3.938 2.921 1.00 0.00 N ATOM 738 CA GLY A 68 0.478 5.210 2.742 1.00 0.00 C ATOM 739 C GLY A 68 0.449 5.613 1.266 1.00 0.00 C ATOM 740 O GLY A 68 -0.569 6.091 0.770 1.00 0.00 O ATOM 0 H GLY A 68 1.643 3.835 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.541 5.137 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.982 5.982 3.324 1.00 0.00 H new ATOM 744 N THR A 69 1.580 5.405 0.607 1.00 0.00 N ATOM 745 CA THR A 69 1.697 5.742 -0.801 1.00 0.00 C ATOM 746 C THR A 69 0.380 5.461 -1.528 1.00 0.00 C ATOM 747 O THR A 69 0.118 4.328 -1.929 1.00 0.00 O ATOM 748 CB THR A 69 2.885 4.967 -1.375 1.00 0.00 C ATOM 749 OG1 THR A 69 2.931 5.367 -2.743 1.00 0.00 O ATOM 750 CG2 THR A 69 2.628 3.461 -1.436 1.00 0.00 C ATOM 0 H THR A 69 2.423 5.008 1.022 1.00 0.00 H new ATOM 0 HA THR A 69 1.887 6.806 -0.939 1.00 0.00 H new ATOM 0 HB THR A 69 3.771 5.159 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.674 4.913 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.502 2.959 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.436 3.084 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.763 3.265 -2.069 1.00 0.00 H new ATOM 758 N CYS A 70 -0.414 6.511 -1.676 1.00 0.00 N ATOM 759 CA CYS A 70 -1.697 6.391 -2.347 1.00 0.00 C ATOM 760 C CYS A 70 -1.467 5.729 -3.707 1.00 0.00 C ATOM 761 O CYS A 70 -0.327 5.587 -4.148 1.00 0.00 O ATOM 762 CB CYS A 70 -2.393 7.746 -2.482 1.00 0.00 C ATOM 763 SG CYS A 70 -4.182 7.657 -2.856 1.00 0.00 S ATOM 0 H CYS A 70 -0.193 7.449 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.366 5.771 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.257 8.302 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.899 8.315 -3.270 1.00 0.00 H new ATOM 767 N TRP A 71 -2.568 5.342 -4.335 1.00 0.00 N ATOM 768 CA TRP A 71 -2.501 4.699 -5.636 1.00 0.00 C ATOM 769 C TRP A 71 -3.566 5.334 -6.533 1.00 0.00 C ATOM 770 O TRP A 71 -4.733 5.418 -6.153 1.00 0.00 O ATOM 771 CB TRP A 71 -2.656 3.183 -5.506 1.00 0.00 C ATOM 772 CG TRP A 71 -1.559 2.514 -4.676 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.232 2.750 -3.398 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.652 1.482 -5.120 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.185 1.950 -2.988 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.179 1.154 -4.069 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.539 0.847 -6.370 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.182 0.182 -4.159 1.00 0.00 C ATOM 779 CZ3 TRP A 71 0.470 -0.122 -6.443 1.00 0.00 C ATOM 780 CH2 TRP A 71 1.314 -0.463 -5.394 1.00 0.00 C ATOM 0 H TRP A 71 -3.512 5.462 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.524 4.854 -6.093 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.623 2.965 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.663 2.742 -6.503 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.726 3.475 -2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.243 1.944 -2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.179 1.087 -7.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.820 -0.057 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.601 -0.641 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.069 -1.223 -5.531 1.00 0.00 H new ATOM 790 N PRO A 72 -3.113 5.777 -7.736 1.00 0.00 N ATOM 791 CA PRO A 72 -4.014 6.402 -8.690 1.00 0.00 C ATOM 792 C PRO A 72 -4.903 5.360 -9.370 1.00 0.00 C ATOM 793 O PRO A 72 -4.439 4.275 -9.718 1.00 0.00 O ATOM 794 CB PRO A 72 -3.107 7.136 -9.665 1.00 0.00 C ATOM 795 CG PRO A 72 -1.729 6.517 -9.498 1.00 0.00 C ATOM 796 CD PRO A 72 -1.738 5.696 -8.220 1.00 0.00 C ATOM 0 HA PRO A 72 -4.712 7.093 -8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.463 7.025 -10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.084 8.204 -9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.487 5.887 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.966 7.293 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.446 4.663 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.036 6.096 -7.488 1.00 0.00 H new ATOM 801 N GLN A 73 -6.165 5.724 -9.538 1.00 0.00 N ATOM 802 CA GLN A 73 -7.124 4.834 -10.169 1.00 0.00 C ATOM 803 C GLN A 73 -6.445 4.021 -11.274 1.00 0.00 C ATOM 804 O GLN A 73 -5.579 4.532 -11.982 1.00 0.00 O ATOM 805 CB GLN A 73 -8.320 5.615 -10.718 1.00 0.00 C ATOM 806 CG GLN A 73 -9.203 4.722 -11.594 1.00 0.00 C ATOM 807 CD GLN A 73 -9.294 5.270 -13.020 1.00 0.00 C ATOM 808 OE1 GLN A 73 -10.252 5.922 -13.401 1.00 0.00 O ATOM 809 NE2 GLN A 73 -8.247 4.968 -13.783 1.00 0.00 N ATOM 0 H GLN A 73 -6.546 6.624 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.500 4.143 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.908 6.015 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.967 6.466 -11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.797 3.711 -11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.201 4.656 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.478 4.418 -13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.213 5.287 -14.751 1.00 0.00 H new ATOM 816 N SER A 74 -6.865 2.769 -11.387 1.00 0.00 N ATOM 817 CA SER A 74 -6.309 1.880 -12.393 1.00 0.00 C ATOM 818 C SER A 74 -7.422 1.041 -13.023 1.00 0.00 C ATOM 819 O SER A 74 -8.581 1.140 -12.624 1.00 0.00 O ATOM 820 CB SER A 74 -5.234 0.972 -11.793 1.00 0.00 C ATOM 821 OG SER A 74 -5.065 1.197 -10.395 1.00 0.00 O ATOM 0 H SER A 74 -7.584 2.349 -10.798 1.00 0.00 H new ATOM 0 HA SER A 74 -5.841 2.489 -13.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.504 -0.070 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.287 1.144 -12.305 1.00 0.00 H new ATOM 0 HG SER A 74 -4.542 0.465 -10.007 1.00 0.00 H new ATOM 826 N ALA A 75 -7.031 0.233 -13.998 1.00 0.00 N ATOM 827 CA ALA A 75 -7.981 -0.622 -14.688 1.00 0.00 C ATOM 828 C ALA A 75 -7.755 -2.074 -14.262 1.00 0.00 C ATOM 829 O ALA A 75 -6.691 -2.416 -13.747 1.00 0.00 O ATOM 830 CB ALA A 75 -7.840 -0.428 -16.199 1.00 0.00 C ATOM 0 H ALA A 75 -6.069 0.153 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.003 -0.355 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.553 -1.070 -16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.039 0.613 -16.452 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.827 -0.689 -16.506 1.00 0.00 H new ATOM 836 N PRO A 76 -8.799 -2.912 -14.499 1.00 0.00 N ATOM 837 CA PRO A 76 -8.725 -4.320 -14.147 1.00 0.00 C ATOM 838 C PRO A 76 -7.840 -5.086 -15.133 1.00 0.00 C ATOM 839 O PRO A 76 -7.793 -4.755 -16.316 1.00 0.00 O ATOM 840 CB PRO A 76 -10.166 -4.801 -14.143 1.00 0.00 C ATOM 841 CG PRO A 76 -10.951 -3.774 -14.942 1.00 0.00 C ATOM 842 CD PRO A 76 -10.074 -2.543 -15.108 1.00 0.00 C ATOM 0 HA PRO A 76 -8.262 -4.487 -13.175 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.248 -5.791 -14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.549 -4.880 -13.125 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.229 -4.179 -15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.877 -3.517 -14.428 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.950 -2.284 -16.159 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.512 -1.675 -14.615 1.00 0.00 H new ATOM 847 N GLY A 77 -7.163 -6.097 -14.609 1.00 0.00 N ATOM 848 CA GLY A 77 -6.283 -6.913 -15.429 1.00 0.00 C ATOM 849 C GLY A 77 -4.925 -6.234 -15.619 1.00 0.00 C ATOM 850 O GLY A 77 -4.118 -6.671 -16.438 1.00 0.00 O ATOM 0 H GLY A 77 -7.206 -6.370 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.144 -7.888 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.745 -7.089 -16.401 1.00 0.00 H new ATOM 854 N ALA A 78 -4.715 -5.178 -14.848 1.00 0.00 N ATOM 855 CA ALA A 78 -3.468 -4.435 -14.922 1.00 0.00 C ATOM 856 C ALA A 78 -2.521 -4.926 -13.826 1.00 0.00 C ATOM 857 O ALA A 78 -2.748 -5.977 -13.230 1.00 0.00 O ATOM 858 CB ALA A 78 -3.760 -2.936 -14.813 1.00 0.00 C ATOM 0 H ALA A 78 -5.386 -4.819 -14.169 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.977 -4.603 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.825 -2.378 -14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.413 -2.632 -15.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.250 -2.729 -13.862 1.00 0.00 H new ATOM 864 N LEU A 79 -1.479 -4.141 -13.594 1.00 0.00 N ATOM 865 CA LEU A 79 -0.496 -4.483 -12.579 1.00 0.00 C ATOM 866 C LEU A 79 0.504 -3.334 -12.437 1.00 0.00 C ATOM 867 O LEU A 79 1.143 -2.938 -13.410 1.00 0.00 O ATOM 868 CB LEU A 79 0.156 -5.830 -12.898 1.00 0.00 C ATOM 869 CG LEU A 79 0.927 -5.907 -14.217 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.407 -5.581 -14.007 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.730 -7.266 -14.890 1.00 0.00 C ATOM 0 H LEU A 79 -1.294 -3.270 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.977 -4.609 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.838 -6.082 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.622 -6.594 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 79 0.523 -5.152 -14.892 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.932 -5.643 -14.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.504 -4.573 -13.604 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.841 -6.295 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.289 -7.293 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.090 -8.055 -14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.329 -7.420 -15.096 1.00 0.00 H new ATOM 882 N VAL A 80 0.609 -2.832 -11.214 1.00 0.00 N ATOM 883 CA VAL A 80 1.520 -1.736 -10.932 1.00 0.00 C ATOM 884 C VAL A 80 2.802 -2.294 -10.309 1.00 0.00 C ATOM 885 O VAL A 80 3.134 -1.969 -9.170 1.00 0.00 O ATOM 886 CB VAL A 80 0.829 -0.696 -10.049 1.00 0.00 C ATOM 887 CG1 VAL A 80 1.850 0.254 -9.419 1.00 0.00 C ATOM 888 CG2 VAL A 80 -0.227 0.080 -10.839 1.00 0.00 C ATOM 0 H VAL A 80 0.079 -3.164 -10.409 1.00 0.00 H new ATOM 0 HA VAL A 80 1.801 -1.225 -11.853 1.00 0.00 H new ATOM 0 HB VAL A 80 0.322 -1.226 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.332 0.983 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.548 -0.316 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.398 0.773 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.703 0.813 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.248 0.593 -11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.979 -0.612 -11.218 1.00 0.00 H new ATOM 898 N GLU A 81 3.487 -3.122 -11.082 1.00 0.00 N ATOM 899 CA GLU A 81 4.724 -3.727 -10.621 1.00 0.00 C ATOM 900 C GLU A 81 5.876 -2.725 -10.723 1.00 0.00 C ATOM 901 O GLU A 81 6.077 -2.111 -11.770 1.00 0.00 O ATOM 902 CB GLU A 81 5.036 -5.003 -11.405 1.00 0.00 C ATOM 903 CG GLU A 81 5.234 -4.699 -12.891 1.00 0.00 C ATOM 904 CD GLU A 81 5.644 -5.957 -13.658 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.116 -7.035 -13.307 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.478 -5.814 -14.578 1.00 0.00 O ATOM 0 H GLU A 81 3.208 -3.389 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 81 4.601 -4.004 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.935 -5.470 -11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.222 -5.718 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.311 -4.298 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.998 -3.931 -13.010 1.00 0.00 H new ATOM 911 N ARG A 82 6.600 -2.589 -9.622 1.00 0.00 N ATOM 912 CA ARG A 82 7.726 -1.672 -9.575 1.00 0.00 C ATOM 913 C ARG A 82 8.592 -1.956 -8.346 1.00 0.00 C ATOM 914 O ARG A 82 8.741 -1.099 -7.477 1.00 0.00 O ATOM 915 CB ARG A 82 7.250 -0.218 -9.531 1.00 0.00 C ATOM 916 CG ARG A 82 6.202 -0.018 -8.435 1.00 0.00 C ATOM 917 CD ARG A 82 5.946 1.470 -8.186 1.00 0.00 C ATOM 918 NE ARG A 82 4.535 1.681 -7.789 1.00 0.00 N ATOM 919 CZ ARG A 82 4.099 2.750 -7.107 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.960 3.710 -6.743 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.803 2.857 -6.790 1.00 0.00 N ATOM 0 H ARG A 82 6.429 -3.099 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 82 8.315 -1.823 -10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.099 0.441 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.829 0.060 -10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.272 -0.508 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.540 -0.492 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.611 1.836 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.168 2.042 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 82 3.853 0.969 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.948 3.628 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.628 4.523 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.148 2.126 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.470 3.670 -6.271 1.00 0.00 H new ATOM 932 N PRO A 83 9.153 -3.194 -8.312 1.00 0.00 N ATOM 933 CA PRO A 83 10.000 -3.602 -7.204 1.00 0.00 C ATOM 934 C PRO A 83 11.377 -2.941 -7.295 1.00 0.00 C ATOM 935 O PRO A 83 12.042 -3.024 -8.326 1.00 0.00 O ATOM 936 CB PRO A 83 10.061 -5.118 -7.293 1.00 0.00 C ATOM 937 CG PRO A 83 9.634 -5.470 -8.709 1.00 0.00 C ATOM 938 CD PRO A 83 8.998 -4.235 -9.324 1.00 0.00 C ATOM 0 HA PRO A 83 9.608 -3.289 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.068 -5.481 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.400 -5.579 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.493 -5.791 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.927 -6.299 -8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.491 -3.958 -10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.947 -4.406 -9.558 1.00 0.00 H new ATOM 943 N CYS A 84 11.764 -2.301 -6.201 1.00 0.00 N ATOM 944 CA CYS A 84 13.050 -1.628 -6.144 1.00 0.00 C ATOM 945 C CYS A 84 13.053 -0.508 -7.186 1.00 0.00 C ATOM 946 O CYS A 84 12.569 -0.693 -8.302 1.00 0.00 O ATOM 947 CB CYS A 84 14.210 -2.603 -6.352 1.00 0.00 C ATOM 948 SG CYS A 84 14.229 -4.029 -5.203 1.00 0.00 S ATOM 0 H CYS A 84 11.209 -2.235 -5.348 1.00 0.00 H new ATOM 0 HA CYS A 84 13.195 -1.201 -5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.172 -2.979 -7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 84 15.148 -2.058 -6.248 1.00 0.00 H new ATOM 952 N PRO A 85 13.617 0.659 -6.775 1.00 0.00 N ATOM 953 CA PRO A 85 13.689 1.809 -7.661 1.00 0.00 C ATOM 954 C PRO A 85 14.774 1.617 -8.721 1.00 0.00 C ATOM 955 O PRO A 85 14.733 2.243 -9.779 1.00 0.00 O ATOM 956 CB PRO A 85 13.954 2.994 -6.746 1.00 0.00 C ATOM 957 CG PRO A 85 14.482 2.408 -5.447 1.00 0.00 C ATOM 958 CD PRO A 85 14.200 0.914 -5.461 1.00 0.00 C ATOM 0 HA PRO A 85 12.772 1.960 -8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 85 14.679 3.676 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 85 13.042 3.566 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.552 2.594 -5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 85 13.999 2.880 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 85 15.113 0.337 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.514 0.633 -4.662 1.00 0.00 H new ATOM 963 N GLU A 86 15.722 0.748 -8.402 1.00 0.00 N ATOM 964 CA GLU A 86 16.818 0.465 -9.314 1.00 0.00 C ATOM 965 C GLU A 86 16.311 -0.323 -10.523 1.00 0.00 C ATOM 966 O GLU A 86 15.131 -0.661 -10.599 1.00 0.00 O ATOM 967 CB GLU A 86 17.944 -0.286 -8.602 1.00 0.00 C ATOM 968 CG GLU A 86 19.243 0.524 -8.622 1.00 0.00 C ATOM 969 CD GLU A 86 19.515 1.086 -10.019 1.00 0.00 C ATOM 970 OE1 GLU A 86 20.117 0.343 -10.823 1.00 0.00 O ATOM 971 OE2 GLU A 86 19.115 2.248 -10.251 1.00 0.00 O ATOM 0 H GLU A 86 15.754 0.230 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 86 17.226 1.412 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.655 -0.490 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.105 -1.250 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.178 1.341 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.075 -0.108 -8.312 1.00 0.00 H new ATOM 976 N TYR A 87 17.229 -0.593 -11.440 1.00 0.00 N ATOM 977 CA TYR A 87 16.891 -1.336 -12.642 1.00 0.00 C ATOM 978 C TYR A 87 18.095 -2.127 -13.155 1.00 0.00 C ATOM 979 O TYR A 87 18.306 -2.230 -14.363 1.00 0.00 O ATOM 980 CB TYR A 87 16.500 -0.290 -13.687 1.00 0.00 C ATOM 981 CG TYR A 87 15.182 -0.589 -14.404 1.00 0.00 C ATOM 982 CD1 TYR A 87 14.030 -0.797 -13.673 1.00 0.00 C ATOM 983 CD2 TYR A 87 15.144 -0.651 -15.782 1.00 0.00 C ATOM 984 CE1 TYR A 87 12.789 -1.079 -14.348 1.00 0.00 C ATOM 985 CE2 TYR A 87 13.904 -0.932 -16.458 1.00 0.00 C ATOM 986 CZ TYR A 87 12.787 -1.132 -15.707 1.00 0.00 C ATOM 987 OH TYR A 87 11.616 -1.399 -16.345 1.00 0.00 O ATOM 0 H TYR A 87 18.207 -0.310 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 87 16.090 -2.047 -12.441 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.425 0.683 -13.202 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.296 -0.216 -14.428 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.059 -0.748 -12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.045 -0.489 -16.354 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.881 -1.245 -13.788 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.862 -0.983 -17.536 1.00 0.00 H new ATOM 0 HH TYR A 87 11.765 -1.405 -17.314 1.00 0.00 H new ATOM 996 N PHE A 88 18.855 -2.666 -12.212 1.00 0.00 N ATOM 997 CA PHE A 88 20.032 -3.445 -12.554 1.00 0.00 C ATOM 998 C PHE A 88 19.932 -4.865 -11.994 1.00 0.00 C ATOM 999 O PHE A 88 20.187 -5.836 -12.705 1.00 0.00 O ATOM 1000 CB PHE A 88 21.234 -2.742 -11.917 1.00 0.00 C ATOM 1001 CG PHE A 88 21.381 -2.999 -10.416 1.00 0.00 C ATOM 1002 CD1 PHE A 88 20.593 -2.333 -9.531 1.00 0.00 C ATOM 1003 CD2 PHE A 88 22.300 -3.895 -9.967 1.00 0.00 C ATOM 1004 CE1 PHE A 88 20.729 -2.571 -8.139 1.00 0.00 C ATOM 1005 CE2 PHE A 88 22.437 -4.134 -8.574 1.00 0.00 C ATOM 1006 CZ PHE A 88 21.649 -3.466 -7.689 1.00 0.00 C ATOM 0 H PHE A 88 18.678 -2.578 -11.211 1.00 0.00 H new ATOM 0 HA PHE A 88 20.129 -3.517 -13.637 1.00 0.00 H new ATOM 0 HB2 PHE A 88 22.143 -3.069 -12.422 1.00 0.00 H new ATOM 0 HB3 PHE A 88 21.145 -1.669 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE A 88 19.863 -1.622 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 88 22.926 -4.425 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 88 20.102 -2.042 -7.437 1.00 0.00 H new ATOM 0 HE2 PHE A 88 23.167 -4.846 -8.217 1.00 0.00 H new ATOM 0 HZ PHE A 88 21.754 -3.646 -6.629 1.00 0.00 H new ATOM 1015 N ASN A 89 19.560 -4.942 -10.725 1.00 0.00 N ATOM 1016 CA ASN A 89 19.423 -6.227 -10.062 1.00 0.00 C ATOM 1017 C ASN A 89 20.794 -6.689 -9.563 1.00 0.00 C ATOM 1018 O ASN A 89 21.735 -6.811 -10.347 1.00 0.00 O ATOM 1019 CB ASN A 89 18.888 -7.289 -11.025 1.00 0.00 C ATOM 1020 CG ASN A 89 17.875 -8.200 -10.330 1.00 0.00 C ATOM 1021 OD1 ASN A 89 17.966 -9.416 -10.366 1.00 0.00 O ATOM 1022 ND2 ASN A 89 16.906 -7.546 -9.694 1.00 0.00 N ATOM 0 H ASN A 89 19.349 -4.135 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 89 18.725 -6.106 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.419 -6.805 -11.882 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.715 -7.886 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.181 -8.065 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.888 -6.526 -9.703 1.00 0.00 H new ATOM 1028 N GLY A 90 20.864 -6.931 -8.262 1.00 0.00 N ATOM 1029 CA GLY A 90 22.104 -7.376 -7.651 1.00 0.00 C ATOM 1030 C GLY A 90 22.089 -7.129 -6.141 1.00 0.00 C ATOM 1031 O GLY A 90 21.705 -8.005 -5.368 1.00 0.00 O ATOM 0 H GLY A 90 20.082 -6.827 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.250 -8.438 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 90 22.945 -6.849 -8.101 1.00 0.00 H new ATOM 1035 N ILE A 91 22.513 -5.931 -5.765 1.00 0.00 N ATOM 1036 CA ILE A 91 22.554 -5.557 -4.361 1.00 0.00 C ATOM 1037 C ILE A 91 22.965 -4.089 -4.240 1.00 0.00 C ATOM 1038 O ILE A 91 24.154 -3.775 -4.196 1.00 0.00 O ATOM 1039 CB ILE A 91 23.455 -6.514 -3.578 1.00 0.00 C ATOM 1040 CG1 ILE A 91 23.123 -6.481 -2.085 1.00 0.00 C ATOM 1041 CG2 ILE A 91 24.932 -6.219 -3.843 1.00 0.00 C ATOM 1042 CD1 ILE A 91 22.744 -5.068 -1.638 1.00 0.00 C ATOM 0 H ILE A 91 22.831 -5.206 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 91 21.564 -5.649 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 91 23.262 -7.528 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 91 22.300 -7.165 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 91 23.981 -6.830 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 91 25.550 -6.914 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 91 25.141 -6.335 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 91 25.160 -5.198 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.513 -5.073 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.578 -4.391 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.871 -4.731 -2.197 1.00 0.00 H new ATOM 1053 N LYS A 92 21.959 -3.228 -4.189 1.00 0.00 N ATOM 1054 CA LYS A 92 22.202 -1.800 -4.075 1.00 0.00 C ATOM 1055 C LYS A 92 20.863 -1.059 -4.054 1.00 0.00 C ATOM 1056 O LYS A 92 20.672 -0.097 -4.795 1.00 0.00 O ATOM 1057 CB LYS A 92 23.149 -1.326 -5.178 1.00 0.00 C ATOM 1058 CG LYS A 92 24.172 -0.328 -4.632 1.00 0.00 C ATOM 1059 CD LYS A 92 25.195 -1.027 -3.734 1.00 0.00 C ATOM 1060 CE LYS A 92 25.780 -0.054 -2.709 1.00 0.00 C ATOM 1061 NZ LYS A 92 27.010 -0.613 -2.106 1.00 0.00 N ATOM 0 H LYS A 92 20.974 -3.492 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 92 22.707 -1.575 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.666 -2.182 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.575 -0.862 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.684 0.162 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.660 0.451 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 92 24.721 -1.862 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.996 -1.443 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 92 26.004 0.898 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.045 0.147 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 27.394 0.060 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.786 -1.510 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 27.716 -0.783 -2.851 1.00 0.00 H new ATOM 1071 N TYR A 93 19.972 -1.537 -3.198 1.00 0.00 N ATOM 1072 CA TYR A 93 18.657 -0.933 -3.072 1.00 0.00 C ATOM 1073 C TYR A 93 18.573 -0.058 -1.819 1.00 0.00 C ATOM 1074 O TYR A 93 18.941 -0.492 -0.729 1.00 0.00 O ATOM 1075 CB TYR A 93 17.670 -2.095 -2.934 1.00 0.00 C ATOM 1076 CG TYR A 93 17.922 -2.983 -1.714 1.00 0.00 C ATOM 1077 CD1 TYR A 93 17.441 -2.610 -0.477 1.00 0.00 C ATOM 1078 CD2 TYR A 93 18.631 -4.160 -1.852 1.00 0.00 C ATOM 1079 CE1 TYR A 93 17.678 -3.446 0.671 1.00 0.00 C ATOM 1080 CE2 TYR A 93 18.868 -4.997 -0.705 1.00 0.00 C ATOM 1081 CZ TYR A 93 18.380 -4.598 0.501 1.00 0.00 C ATOM 1082 OH TYR A 93 18.604 -5.388 1.585 1.00 0.00 O ATOM 0 H TYR A 93 20.135 -2.336 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 93 18.441 -0.301 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.658 -1.694 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.719 -2.709 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.886 -1.690 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.008 -4.453 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.307 -3.164 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.420 -5.920 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 93 19.117 -6.178 1.314 1.00 0.00 H new ATOM 1091 N ASN A 94 18.089 1.160 -2.019 1.00 0.00 N ATOM 1092 CA ASN A 94 17.954 2.099 -0.920 1.00 0.00 C ATOM 1093 C ASN A 94 16.482 2.190 -0.510 1.00 0.00 C ATOM 1094 O ASN A 94 16.144 2.867 0.460 1.00 0.00 O ATOM 1095 CB ASN A 94 18.417 3.498 -1.330 1.00 0.00 C ATOM 1096 CG ASN A 94 17.949 3.837 -2.747 1.00 0.00 C ATOM 1097 OD1 ASN A 94 17.066 4.653 -2.959 1.00 0.00 O ATOM 1098 ND2 ASN A 94 18.587 3.167 -3.702 1.00 0.00 N ATOM 0 H ASN A 94 17.786 1.517 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 94 18.571 1.742 -0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.026 4.235 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.504 3.555 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.347 3.322 -4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.316 2.498 -3.455 1.00 0.00 H new ATOM 1104 N THR A 95 15.646 1.498 -1.271 1.00 0.00 N ATOM 1105 CA THR A 95 14.218 1.492 -1.000 1.00 0.00 C ATOM 1106 C THR A 95 13.718 2.915 -0.742 1.00 0.00 C ATOM 1107 O THR A 95 13.666 3.360 0.403 1.00 0.00 O ATOM 1108 CB THR A 95 13.964 0.537 0.169 1.00 0.00 C ATOM 1109 OG1 THR A 95 14.696 1.107 1.249 1.00 0.00 O ATOM 1110 CG2 THR A 95 14.613 -0.832 -0.041 1.00 0.00 C ATOM 0 H THR A 95 15.930 0.938 -2.075 1.00 0.00 H new ATOM 0 HA THR A 95 13.653 1.134 -1.861 1.00 0.00 H new ATOM 0 HB THR A 95 12.890 0.411 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.707 2.083 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.402 -1.470 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.209 -1.292 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.691 -0.711 -0.147 1.00 0.00 H new ATOM 1118 N THR A 96 13.364 3.589 -1.826 1.00 0.00 N ATOM 1119 CA THR A 96 12.870 4.952 -1.732 1.00 0.00 C ATOM 1120 C THR A 96 11.354 4.985 -1.934 1.00 0.00 C ATOM 1121 O THR A 96 10.627 5.538 -1.110 1.00 0.00 O ATOM 1122 CB THR A 96 13.636 5.803 -2.747 1.00 0.00 C ATOM 1123 OG1 THR A 96 14.996 5.694 -2.336 1.00 0.00 O ATOM 1124 CG2 THR A 96 13.326 7.295 -2.612 1.00 0.00 C ATOM 0 H THR A 96 13.409 3.216 -2.774 1.00 0.00 H new ATOM 0 HA THR A 96 13.043 5.368 -0.740 1.00 0.00 H new ATOM 0 HB THR A 96 13.392 5.471 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.509 5.221 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.895 7.854 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.261 7.461 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.601 7.635 -1.614 1.00 0.00 H new ATOM 1132 N ARG A 97 10.922 4.385 -3.033 1.00 0.00 N ATOM 1133 CA ARG A 97 9.505 4.338 -3.353 1.00 0.00 C ATOM 1134 C ARG A 97 9.237 3.274 -4.419 1.00 0.00 C ATOM 1135 O ARG A 97 9.061 3.597 -5.593 1.00 0.00 O ATOM 1136 CB ARG A 97 9.010 5.695 -3.859 1.00 0.00 C ATOM 1137 CG ARG A 97 9.851 6.180 -5.041 1.00 0.00 C ATOM 1138 CD ARG A 97 10.660 7.423 -4.665 1.00 0.00 C ATOM 1139 NE ARG A 97 10.020 8.632 -5.229 1.00 0.00 N ATOM 1140 CZ ARG A 97 10.430 9.884 -4.983 1.00 0.00 C ATOM 1141 NH1 ARG A 97 11.481 10.099 -4.179 1.00 0.00 N ATOM 1142 NH2 ARG A 97 9.788 10.921 -5.538 1.00 0.00 N ATOM 0 H ARG A 97 11.528 3.927 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 97 8.966 4.085 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.965 5.616 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.055 6.426 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.525 5.386 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.201 6.407 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.727 7.509 -3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.679 7.332 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 97 9.216 8.505 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.968 9.310 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.793 11.052 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.987 10.758 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.100 11.874 -5.350 1.00 0.00 H new ATOM 1153 N ASN A 98 9.212 2.028 -3.972 1.00 0.00 N ATOM 1154 CA ASN A 98 8.967 0.915 -4.874 1.00 0.00 C ATOM 1155 C ASN A 98 7.836 0.050 -4.315 1.00 0.00 C ATOM 1156 O ASN A 98 7.407 0.242 -3.178 1.00 0.00 O ATOM 1157 CB ASN A 98 10.211 0.034 -5.012 1.00 0.00 C ATOM 1158 CG ASN A 98 10.611 -0.565 -3.663 1.00 0.00 C ATOM 1159 OD1 ASN A 98 11.427 -0.027 -2.933 1.00 0.00 O ATOM 1160 ND2 ASN A 98 9.994 -1.707 -3.373 1.00 0.00 N ATOM 0 H ASN A 98 9.357 1.764 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 98 8.704 1.324 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.017 -0.766 -5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.036 0.624 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.194 -2.186 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.321 -2.104 -4.029 1.00 0.00 H new ATOM 1166 N ALA A 99 7.386 -0.885 -5.138 1.00 0.00 N ATOM 1167 CA ALA A 99 6.312 -1.780 -4.740 1.00 0.00 C ATOM 1168 C ALA A 99 5.858 -2.596 -5.952 1.00 0.00 C ATOM 1169 O ALA A 99 6.533 -2.614 -6.980 1.00 0.00 O ATOM 1170 CB ALA A 99 5.172 -0.967 -4.125 1.00 0.00 C ATOM 0 H ALA A 99 7.745 -1.043 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 99 6.659 -2.482 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.366 -1.638 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.539 -0.429 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.797 -0.254 -4.859 1.00 0.00 H new ATOM 1176 N TYR A 100 4.719 -3.252 -5.790 1.00 0.00 N ATOM 1177 CA TYR A 100 4.168 -4.069 -6.858 1.00 0.00 C ATOM 1178 C TYR A 100 2.807 -4.645 -6.461 1.00 0.00 C ATOM 1179 O TYR A 100 2.676 -5.271 -5.410 1.00 0.00 O ATOM 1180 CB TYR A 100 5.155 -5.220 -7.062 1.00 0.00 C ATOM 1181 CG TYR A 100 4.498 -6.536 -7.483 1.00 0.00 C ATOM 1182 CD1 TYR A 100 3.721 -6.585 -8.623 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.684 -7.674 -6.725 1.00 0.00 C ATOM 1184 CE1 TYR A 100 3.102 -7.824 -9.020 1.00 0.00 C ATOM 1185 CE2 TYR A 100 4.066 -8.913 -7.122 1.00 0.00 C ATOM 1186 CZ TYR A 100 3.306 -8.926 -8.250 1.00 0.00 C ATOM 1187 OH TYR A 100 2.722 -10.096 -8.625 1.00 0.00 O ATOM 0 H TYR A 100 4.162 -3.235 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 100 4.027 -3.475 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.883 -4.931 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.706 -5.381 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.577 -5.695 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.293 -7.636 -5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.490 -7.876 -9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.203 -9.811 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 100 2.955 -10.799 -7.983 1.00 0.00 H new ATOM 1196 N ARG A 101 1.828 -4.412 -7.322 1.00 0.00 N ATOM 1197 CA ARG A 101 0.481 -4.901 -7.075 1.00 0.00 C ATOM 1198 C ARG A 101 -0.224 -5.207 -8.398 1.00 0.00 C ATOM 1199 O ARG A 101 -0.060 -4.479 -9.375 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.341 -3.875 -6.292 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.708 -4.409 -4.906 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.004 -3.773 -4.399 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.553 -4.567 -3.279 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.530 -4.143 -2.464 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -4.069 -2.930 -2.641 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.966 -4.934 -1.474 1.00 0.00 N ATOM 0 H ARG A 101 1.940 -3.891 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 101 0.562 -5.813 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.227 -2.950 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.249 -3.633 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.823 -5.492 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.101 -4.201 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.813 -2.751 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.732 -3.718 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.164 -5.496 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.736 -2.329 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.812 -2.607 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.555 -5.858 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.709 -4.612 -0.854 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.993 -6.286 -8.385 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.724 -6.697 -9.572 1.00 0.00 C ATOM 1219 C GLU A 102 -3.203 -6.329 -9.438 1.00 0.00 C ATOM 1220 O GLU A 102 -3.763 -6.383 -8.346 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.553 -8.196 -9.829 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.882 -9.008 -8.574 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.936 -10.505 -8.888 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.611 -10.852 -9.880 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.300 -11.267 -8.129 1.00 0.00 O ATOM 0 H GLU A 102 -1.126 -6.888 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.314 -6.165 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.203 -8.505 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.529 -8.401 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.130 -8.820 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.840 -8.683 -8.167 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.792 -5.963 -10.567 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.195 -5.586 -10.591 1.00 0.00 C ATOM 1232 C CYS A 103 -5.983 -6.707 -11.273 1.00 0.00 C ATOM 1233 O CYS A 103 -5.906 -6.871 -12.490 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.408 -4.237 -11.281 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.961 -2.888 -10.175 1.00 0.00 S ATOM 0 H CYS A 103 -3.323 -5.920 -11.472 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.556 -5.458 -9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.475 -3.937 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.145 -4.363 -12.074 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.722 -7.447 -10.461 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.522 -8.547 -10.971 1.00 0.00 C ATOM 1241 C LEU A 104 -8.417 -8.038 -12.103 1.00 0.00 C ATOM 1242 O LEU A 104 -8.582 -6.832 -12.275 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.292 -9.222 -9.833 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.673 -10.503 -9.272 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.369 -10.927 -7.977 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.681 -11.620 -10.319 1.00 0.00 C ATOM 0 H LEU A 104 -6.784 -7.307 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.881 -9.321 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.398 -8.506 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.297 -9.453 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.631 -10.299 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.910 -11.840 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.268 -10.136 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.426 -11.107 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.235 -12.520 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.708 -11.830 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.106 -11.306 -11.190 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.973 -8.984 -12.845 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.848 -8.647 -13.956 1.00 0.00 C ATOM 1259 C GLU A 105 -11.228 -8.238 -13.439 1.00 0.00 C ATOM 1260 O GLU A 105 -12.124 -7.936 -14.226 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.954 -9.812 -14.943 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.631 -11.020 -14.293 1.00 0.00 C ATOM 1263 CD GLU A 105 -11.241 -11.942 -15.351 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -12.281 -11.545 -15.918 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.653 -13.023 -15.569 1.00 0.00 O ATOM 0 H GLU A 105 -8.835 -9.984 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.417 -7.800 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.522 -9.500 -15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.959 -10.091 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.903 -11.573 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.409 -10.681 -13.609 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.356 -8.242 -12.121 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.612 -7.874 -11.490 1.00 0.00 C ATOM 1272 C ASN A 106 -12.528 -6.427 -11.001 1.00 0.00 C ATOM 1273 O ASN A 106 -13.499 -5.890 -10.468 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.902 -8.765 -10.281 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.204 -9.547 -10.475 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.255 -9.188 -9.970 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.076 -10.631 -11.234 1.00 0.00 N ATOM 0 H ASN A 106 -10.611 -8.494 -11.472 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.407 -7.994 -12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.076 -9.460 -10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.972 -8.153 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.887 -11.219 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.166 -10.875 -11.626 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.360 -5.835 -11.199 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.136 -4.460 -10.785 1.00 0.00 C ATOM 1285 C GLY A 107 -10.853 -4.379 -9.285 1.00 0.00 C ATOM 1286 O GLY A 107 -11.472 -3.589 -8.573 1.00 0.00 O ATOM 0 H GLY A 107 -10.557 -6.283 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.297 -4.041 -11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.011 -3.856 -11.027 1.00 0.00 H new ATOM 1290 N THR A 108 -9.916 -5.207 -8.846 1.00 0.00 N ATOM 1291 CA THR A 108 -9.543 -5.239 -7.442 1.00 0.00 C ATOM 1292 C THR A 108 -8.030 -5.416 -7.296 1.00 0.00 C ATOM 1293 O THR A 108 -7.419 -6.195 -8.027 1.00 0.00 O ATOM 1294 CB THR A 108 -10.352 -6.345 -6.762 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.964 -7.531 -7.450 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.852 -6.226 -7.039 1.00 0.00 C ATOM 0 H THR A 108 -9.404 -5.861 -9.438 1.00 0.00 H new ATOM 0 HA THR A 108 -9.778 -4.295 -6.949 1.00 0.00 H new ATOM 0 HB THR A 108 -10.178 -6.314 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.440 -8.299 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.381 -7.034 -6.534 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.216 -5.268 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.030 -6.291 -8.112 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.469 -4.680 -6.348 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.038 -4.746 -6.097 1.00 0.00 C ATOM 1306 C TRP A 109 -5.715 -6.147 -5.572 1.00 0.00 C ATOM 1307 O TRP A 109 -6.573 -7.028 -5.574 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.597 -3.633 -5.145 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.458 -2.263 -5.811 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.206 -1.169 -5.611 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.477 -1.882 -6.798 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.781 -0.116 -6.394 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.696 -0.563 -7.139 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.439 -2.629 -7.383 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -3.917 0.125 -8.077 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.670 -1.926 -8.320 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.877 -0.597 -8.673 1.00 0.00 C ATOM 0 H TRP A 109 -7.979 -4.035 -5.744 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.476 -4.581 -7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.318 -3.558 -4.331 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.641 -3.908 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.037 -1.118 -4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.188 0.819 -6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.250 -3.662 -7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.109 1.158 -8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.860 -2.453 -8.802 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.238 -0.124 -9.404 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.475 -6.308 -5.135 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.028 -7.586 -4.608 1.00 0.00 C ATOM 1329 C ALA A 110 -4.345 -7.655 -3.113 1.00 0.00 C ATOM 1330 O ALA A 110 -5.307 -7.043 -2.650 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.535 -7.763 -4.896 1.00 0.00 C ATOM 0 H ALA A 110 -3.766 -5.575 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.554 -8.407 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.199 -8.722 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.366 -7.735 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.975 -6.958 -4.420 1.00 0.00 H new ATOM 1337 N SER A 111 -3.519 -8.407 -2.399 1.00 0.00 N ATOM 1338 CA SER A 111 -3.700 -8.564 -0.966 1.00 0.00 C ATOM 1339 C SER A 111 -2.689 -7.698 -0.213 1.00 0.00 C ATOM 1340 O SER A 111 -3.038 -7.033 0.761 1.00 0.00 O ATOM 1341 CB SER A 111 -3.558 -10.030 -0.551 1.00 0.00 C ATOM 1342 OG SER A 111 -4.566 -10.421 0.377 1.00 0.00 O ATOM 0 H SER A 111 -2.723 -8.914 -2.787 1.00 0.00 H new ATOM 0 HA SER A 111 -4.708 -8.238 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.614 -10.664 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.575 -10.188 -0.107 1.00 0.00 H new ATOM 0 HG SER A 111 -4.443 -11.363 0.616 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.454 -7.734 -0.692 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.388 -6.961 -0.076 1.00 0.00 C ATOM 1349 C ARG A 112 0.542 -6.392 -1.148 1.00 0.00 C ATOM 1350 O ARG A 112 0.802 -7.042 -2.160 1.00 0.00 O ATOM 1351 CB ARG A 112 0.426 -7.820 0.893 1.00 0.00 C ATOM 1352 CG ARG A 112 0.465 -7.189 2.286 1.00 0.00 C ATOM 1353 CD ARG A 112 1.236 -8.073 3.268 1.00 0.00 C ATOM 1354 NE ARG A 112 0.338 -9.103 3.836 1.00 0.00 N ATOM 1355 CZ ARG A 112 0.740 -10.080 4.659 1.00 0.00 C ATOM 1356 NH1 ARG A 112 2.029 -10.167 5.016 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -0.145 -10.971 5.126 1.00 0.00 N ATOM 0 H ARG A 112 -1.167 -8.287 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.849 -6.145 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.009 -8.817 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.441 -7.938 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.934 -6.206 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.552 -7.037 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.074 -8.550 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.654 -7.462 4.068 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.650 -9.066 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.703 -9.489 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.335 -10.911 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.126 -10.906 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.162 -11.715 5.753 1.00 0.00 H new ATOM 1368 N VAL A 113 1.020 -5.183 -0.891 1.00 0.00 N ATOM 1369 CA VAL A 113 1.917 -4.518 -1.821 1.00 0.00 C ATOM 1370 C VAL A 113 3.288 -4.345 -1.165 1.00 0.00 C ATOM 1371 O VAL A 113 3.484 -4.732 -0.014 1.00 0.00 O ATOM 1372 CB VAL A 113 1.304 -3.196 -2.284 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.470 -2.111 -1.218 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.905 -2.750 -3.619 1.00 0.00 C ATOM 0 H VAL A 113 0.803 -4.646 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 113 2.059 -5.125 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 113 0.236 -3.357 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.025 -1.181 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.973 -2.424 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.530 -1.954 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.452 -1.807 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.981 -2.616 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.711 -3.509 -4.377 1.00 0.00 H new ATOM 1384 N ASN A 114 4.202 -3.761 -1.925 1.00 0.00 N ATOM 1385 CA ASN A 114 5.550 -3.530 -1.432 1.00 0.00 C ATOM 1386 C ASN A 114 6.377 -4.805 -1.607 1.00 0.00 C ATOM 1387 O ASN A 114 7.410 -4.792 -2.274 1.00 0.00 O ATOM 1388 CB ASN A 114 5.538 -3.174 0.057 1.00 0.00 C ATOM 1389 CG ASN A 114 6.681 -2.216 0.400 1.00 0.00 C ATOM 1390 OD1 ASN A 114 6.573 -1.008 0.269 1.00 0.00 O ATOM 1391 ND2 ASN A 114 7.778 -2.822 0.845 1.00 0.00 N ATOM 0 H ASN A 114 4.036 -3.440 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 114 5.979 -2.703 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.584 -2.716 0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.629 -4.082 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.597 -2.271 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.800 -3.838 0.930 1.00 0.00 H new ATOM 1397 N TYR A 115 5.892 -5.875 -0.995 1.00 0.00 N ATOM 1398 CA TYR A 115 6.574 -7.156 -1.075 1.00 0.00 C ATOM 1399 C TYR A 115 8.022 -7.038 -0.596 1.00 0.00 C ATOM 1400 O TYR A 115 8.829 -6.347 -1.217 1.00 0.00 O ATOM 1401 CB TYR A 115 6.569 -7.545 -2.555 1.00 0.00 C ATOM 1402 CG TYR A 115 5.195 -7.961 -3.085 1.00 0.00 C ATOM 1403 CD1 TYR A 115 4.203 -7.016 -3.247 1.00 0.00 C ATOM 1404 CD2 TYR A 115 4.947 -9.282 -3.400 1.00 0.00 C ATOM 1405 CE1 TYR A 115 2.910 -7.406 -3.746 1.00 0.00 C ATOM 1406 CE2 TYR A 115 3.654 -9.673 -3.898 1.00 0.00 C ATOM 1407 CZ TYR A 115 2.699 -8.716 -4.047 1.00 0.00 C ATOM 1408 OH TYR A 115 1.478 -9.085 -4.518 1.00 0.00 O ATOM 0 H TYR A 115 5.035 -5.882 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 115 6.077 -7.895 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.934 -6.703 -3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.269 -8.366 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.397 -5.983 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.723 -10.022 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.126 -6.676 -3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.447 -10.703 -4.148 1.00 0.00 H new ATOM 0 HH TYR A 115 1.472 -10.050 -4.691 1.00 0.00 H new ATOM 1417 N SER A 116 8.307 -7.721 0.502 1.00 0.00 N ATOM 1418 CA SER A 116 9.643 -7.700 1.072 1.00 0.00 C ATOM 1419 C SER A 116 10.566 -8.623 0.273 1.00 0.00 C ATOM 1420 O SER A 116 11.742 -8.769 0.604 1.00 0.00 O ATOM 1421 CB SER A 116 9.621 -8.118 2.544 1.00 0.00 C ATOM 1422 OG SER A 116 10.533 -7.353 3.329 1.00 0.00 O ATOM 0 H SER A 116 7.635 -8.293 1.013 1.00 0.00 H new ATOM 0 HA SER A 116 10.022 -6.680 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.613 -7.998 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.872 -9.176 2.625 1.00 0.00 H new ATOM 0 HG SER A 116 10.489 -7.648 4.262 1.00 0.00 H new ATOM 1427 N HIS A 117 9.999 -9.220 -0.765 1.00 0.00 N ATOM 1428 CA HIS A 117 10.757 -10.124 -1.614 1.00 0.00 C ATOM 1429 C HIS A 117 11.098 -9.425 -2.932 1.00 0.00 C ATOM 1430 O HIS A 117 11.186 -10.070 -3.976 1.00 0.00 O ATOM 1431 CB HIS A 117 10.001 -11.439 -1.819 1.00 0.00 C ATOM 1432 CG HIS A 117 9.136 -11.464 -3.057 1.00 0.00 C ATOM 1433 ND1 HIS A 117 8.719 -12.639 -3.656 1.00 0.00 N ATOM 1434 CD2 HIS A 117 8.616 -10.446 -3.801 1.00 0.00 C ATOM 1435 CE1 HIS A 117 7.981 -12.332 -4.712 1.00 0.00 C ATOM 1436 NE2 HIS A 117 7.919 -10.972 -4.801 1.00 0.00 N ATOM 0 H HIS A 117 9.024 -9.096 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 117 11.697 -10.384 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.721 -12.255 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.375 -11.626 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.749 -9.391 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.511 -13.035 -5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.419 -10.446 -5.518 1.00 0.00 H new ATOM 1443 N CYS A 118 11.282 -8.117 -2.840 1.00 0.00 N ATOM 1444 CA CYS A 118 11.612 -7.323 -4.011 1.00 0.00 C ATOM 1445 C CYS A 118 12.578 -8.130 -4.881 1.00 0.00 C ATOM 1446 O CYS A 118 12.364 -8.274 -6.084 1.00 0.00 O ATOM 1447 CB CYS A 118 12.192 -5.961 -3.628 1.00 0.00 C ATOM 1448 SG CYS A 118 12.483 -4.826 -5.033 1.00 0.00 S ATOM 0 H CYS A 118 11.209 -7.586 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 118 10.704 -7.111 -4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.514 -5.478 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.135 -6.118 -3.105 1.00 0.00 H new ATOM 1452 N GLU A 119 13.622 -8.635 -4.239 1.00 0.00 N ATOM 1453 CA GLU A 119 14.622 -9.423 -4.938 1.00 0.00 C ATOM 1454 C GLU A 119 15.588 -10.063 -3.939 1.00 0.00 C ATOM 1455 O GLU A 119 16.599 -9.464 -3.578 1.00 0.00 O ATOM 1456 CB GLU A 119 15.376 -8.569 -5.961 1.00 0.00 C ATOM 1457 CG GLU A 119 15.464 -7.113 -5.501 1.00 0.00 C ATOM 1458 CD GLU A 119 16.337 -6.291 -6.450 1.00 0.00 C ATOM 1459 OE1 GLU A 119 15.790 -5.844 -7.481 1.00 0.00 O ATOM 1460 OE2 GLU A 119 17.533 -6.128 -6.123 1.00 0.00 O ATOM 0 H GLU A 119 13.796 -8.513 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 119 14.114 -10.219 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.379 -8.970 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.871 -8.620 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.464 -6.681 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.876 -7.071 -4.493 1.00 0.00 H new ATOM 1465 N PRO A 120 15.233 -11.303 -3.511 1.00 0.00 N ATOM 1466 CA PRO A 120 16.056 -12.031 -2.561 1.00 0.00 C ATOM 1467 C PRO A 120 17.312 -12.586 -3.236 1.00 0.00 C ATOM 1468 O PRO A 120 17.579 -13.785 -3.169 1.00 0.00 O ATOM 1469 CB PRO A 120 15.151 -13.118 -2.006 1.00 0.00 C ATOM 1470 CG PRO A 120 14.007 -13.252 -2.997 1.00 0.00 C ATOM 1471 CD PRO A 120 14.042 -12.044 -3.918 1.00 0.00 C ATOM 0 HA PRO A 120 16.431 -11.396 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 120 15.690 -14.060 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 120 14.781 -12.851 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 120 14.106 -14.173 -3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 120 13.053 -13.305 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.101 -12.345 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 120 13.142 -11.438 -3.811 1.00 0.00 H new ATOM 1476 N ILE A 121 18.051 -11.687 -3.871 1.00 0.00 N ATOM 1477 CA ILE A 121 19.271 -12.071 -4.558 1.00 0.00 C ATOM 1478 C ILE A 121 20.205 -12.779 -3.573 1.00 0.00 C ATOM 1479 O ILE A 121 20.396 -12.314 -2.450 1.00 0.00 O ATOM 1480 CB ILE A 121 19.905 -10.860 -5.242 1.00 0.00 C ATOM 1481 CG1 ILE A 121 18.890 -10.138 -6.131 1.00 0.00 C ATOM 1482 CG2 ILE A 121 21.161 -11.262 -6.018 1.00 0.00 C ATOM 1483 CD1 ILE A 121 19.590 -9.387 -7.266 1.00 0.00 C ATOM 0 H ILE A 121 17.827 -10.693 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 121 19.051 -12.780 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 121 20.215 -10.157 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 121 18.187 -10.860 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.309 -9.438 -5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.592 -10.381 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 121 21.889 -11.696 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 121 20.898 -11.995 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.846 -8.883 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.274 -8.649 -6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 121 20.150 -10.093 -7.879 1.00 0.00 H new ATOM 1494 N LEU A 122 20.760 -13.892 -4.028 1.00 0.00 N ATOM 1495 CA LEU A 122 21.669 -14.669 -3.201 1.00 0.00 C ATOM 1496 C LEU A 122 23.080 -14.090 -3.320 1.00 0.00 C ATOM 1497 O LEU A 122 23.732 -14.241 -4.353 1.00 0.00 O ATOM 1498 CB LEU A 122 21.581 -16.153 -3.557 1.00 0.00 C ATOM 1499 CG LEU A 122 22.119 -16.546 -4.935 1.00 0.00 C ATOM 1500 CD1 LEU A 122 23.407 -17.361 -4.809 1.00 0.00 C ATOM 1501 CD2 LEU A 122 21.053 -17.281 -5.751 1.00 0.00 C ATOM 0 H LEU A 122 20.598 -14.275 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 122 21.383 -14.600 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 122 22.125 -16.720 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 122 20.537 -16.460 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 122 22.367 -15.634 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.768 -17.627 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.164 -16.768 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.209 -18.269 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.461 -17.549 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 122 20.750 -18.185 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 122 20.187 -16.633 -5.886 1.00 0.00 H new ATOM 1512 N ASP A 123 23.511 -13.440 -2.249 1.00 0.00 N ATOM 1513 CA ASP A 123 24.834 -12.839 -2.220 1.00 0.00 C ATOM 1514 C ASP A 123 25.617 -13.397 -1.031 1.00 0.00 C ATOM 1515 O ASP A 123 25.054 -14.080 -0.177 1.00 0.00 O ATOM 1516 CB ASP A 123 24.744 -11.320 -2.056 1.00 0.00 C ATOM 1517 CG ASP A 123 24.546 -10.835 -0.619 1.00 0.00 C ATOM 1518 OD1 ASP A 123 23.395 -10.930 -0.141 1.00 0.00 O ATOM 1519 OD2 ASP A 123 25.551 -10.381 -0.029 1.00 0.00 O ATOM 0 H ASP A 123 22.968 -13.316 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 123 25.332 -13.072 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 123 25.655 -10.872 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 123 23.918 -10.952 -2.665 1.00 0.00 H new ATOM 1523 N ASP A 124 26.905 -13.086 -1.014 1.00 0.00 N ATOM 1524 CA ASP A 124 27.772 -13.549 0.057 1.00 0.00 C ATOM 1525 C ASP A 124 27.775 -15.079 0.079 1.00 0.00 C ATOM 1526 O ASP A 124 26.872 -15.696 0.643 1.00 0.00 O ATOM 1527 CB ASP A 124 27.278 -13.057 1.418 1.00 0.00 C ATOM 1528 CG ASP A 124 28.051 -13.597 2.621 1.00 0.00 C ATOM 1529 OD1 ASP A 124 29.130 -13.032 2.904 1.00 0.00 O ATOM 1530 OD2 ASP A 124 27.547 -14.563 3.233 1.00 0.00 O ATOM 0 H ASP A 124 27.369 -12.520 -1.724 1.00 0.00 H new ATOM 0 HA ASP A 124 28.772 -13.157 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 124 27.327 -11.968 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 124 26.229 -13.331 1.527 1.00 0.00 H new ATOM 1534 N LYS A 125 28.800 -15.646 -0.537 1.00 0.00 N ATOM 1535 CA LYS A 125 28.932 -17.092 -0.595 1.00 0.00 C ATOM 1536 C LYS A 125 29.779 -17.570 0.586 1.00 0.00 C ATOM 1537 O LYS A 125 30.311 -16.758 1.343 1.00 0.00 O ATOM 1538 CB LYS A 125 29.476 -17.527 -1.957 1.00 0.00 C ATOM 1539 CG LYS A 125 30.955 -17.162 -2.099 1.00 0.00 C ATOM 1540 CD LYS A 125 31.131 -15.908 -2.959 1.00 0.00 C ATOM 1541 CE LYS A 125 32.437 -15.188 -2.618 1.00 0.00 C ATOM 1542 NZ LYS A 125 32.259 -14.329 -1.424 1.00 0.00 N ATOM 0 H LYS A 125 29.548 -15.131 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 125 27.956 -17.567 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 125 29.350 -18.603 -2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 125 28.902 -17.049 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 125 31.388 -16.995 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 125 31.497 -17.994 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 125 31.128 -16.183 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 125 30.289 -15.234 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 125 33.225 -15.919 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 125 32.757 -14.582 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 33.155 -13.848 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 31.522 -13.620 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 31.975 -14.916 -0.613 1.00 0.00 H new ATOM 1552 N GLN A 126 29.879 -18.885 0.708 1.00 0.00 N ATOM 1553 CA GLN A 126 30.652 -19.481 1.785 1.00 0.00 C ATOM 1554 C GLN A 126 32.125 -19.082 1.663 1.00 0.00 C ATOM 1555 O GLN A 126 32.499 -17.962 2.006 1.00 0.00 O ATOM 1556 CB GLN A 126 30.495 -21.003 1.796 1.00 0.00 C ATOM 1557 CG GLN A 126 29.155 -21.411 2.411 1.00 0.00 C ATOM 1558 CD GLN A 126 29.172 -22.880 2.837 1.00 0.00 C ATOM 1559 OE1 GLN A 126 30.169 -23.407 3.301 1.00 0.00 O ATOM 1560 NE2 GLN A 126 28.014 -23.510 2.655 1.00 0.00 N ATOM 0 H GLN A 126 29.437 -19.555 0.079 1.00 0.00 H new ATOM 0 HA GLN A 126 30.270 -19.103 2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 126 30.564 -21.387 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 126 31.311 -21.452 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 126 28.940 -20.781 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 126 28.355 -21.247 1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 126 27.217 -23.009 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 126 27.923 -24.494 2.909 1.00 0.00 H new ATOM 1567 N ARG A 127 32.921 -20.023 1.175 1.00 0.00 N ATOM 1568 CA ARG A 127 34.343 -19.784 1.004 1.00 0.00 C ATOM 1569 C ARG A 127 35.028 -19.656 2.367 1.00 0.00 C ATOM 1570 O ARG A 127 34.412 -19.912 3.401 1.00 0.00 O ATOM 1571 CB ARG A 127 34.596 -18.511 0.194 1.00 0.00 C ATOM 1572 CG ARG A 127 35.425 -18.811 -1.056 1.00 0.00 C ATOM 1573 CD ARG A 127 34.587 -19.538 -2.109 1.00 0.00 C ATOM 1574 NE ARG A 127 35.305 -19.556 -3.403 1.00 0.00 N ATOM 1575 CZ ARG A 127 34.951 -20.317 -4.449 1.00 0.00 C ATOM 1576 NH1 ARG A 127 33.887 -21.126 -4.358 1.00 0.00 N ATOM 1577 NH2 ARG A 127 35.662 -20.268 -5.584 1.00 0.00 N ATOM 0 H ARG A 127 32.607 -20.952 0.893 1.00 0.00 H new ATOM 0 HA ARG A 127 34.758 -20.634 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 127 33.644 -18.065 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 127 35.116 -17.780 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 127 35.811 -17.881 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 127 36.287 -19.422 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 127 34.383 -20.558 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 127 33.624 -19.042 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 127 36.120 -18.952 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 127 33.347 -21.163 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 127 33.617 -21.705 -5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 127 36.472 -19.652 -5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 127 35.393 -20.847 -6.380 1.00 0.00 H new ATOM 1588 N LYS A 128 36.291 -19.261 2.324 1.00 0.00 N ATOM 1589 CA LYS A 128 37.065 -19.096 3.543 1.00 0.00 C ATOM 1590 C LYS A 128 36.782 -17.717 4.140 1.00 0.00 C ATOM 1591 O LYS A 128 37.502 -16.758 3.866 1.00 0.00 O ATOM 1592 CB LYS A 128 38.549 -19.357 3.275 1.00 0.00 C ATOM 1593 CG LYS A 128 39.195 -20.104 4.443 1.00 0.00 C ATOM 1594 CD LYS A 128 40.707 -20.225 4.248 1.00 0.00 C ATOM 1595 CE LYS A 128 41.433 -20.249 5.595 1.00 0.00 C ATOM 1596 NZ LYS A 128 42.866 -19.922 5.417 1.00 0.00 N ATOM 0 H LYS A 128 36.798 -19.050 1.465 1.00 0.00 H new ATOM 0 HA LYS A 128 36.764 -19.833 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 128 38.660 -19.940 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 128 39.065 -18.410 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 128 38.986 -19.579 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 128 38.756 -21.098 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 128 40.934 -21.135 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 128 41.068 -19.388 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 128 40.972 -19.533 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 128 41.332 -21.234 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 43.344 -19.943 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 43.305 -20.620 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 42.956 -18.973 5.001 1.00 0.00 H new ATOM 1606 N TYR A 129 35.731 -17.660 4.945 1.00 0.00 N ATOM 1607 CA TYR A 129 35.343 -16.414 5.582 1.00 0.00 C ATOM 1608 C TYR A 129 35.157 -15.302 4.547 1.00 0.00 C ATOM 1609 O TYR A 129 35.392 -15.512 3.358 1.00 0.00 O ATOM 1610 CB TYR A 129 36.497 -16.039 6.513 1.00 0.00 C ATOM 1611 CG TYR A 129 36.249 -16.384 7.983 1.00 0.00 C ATOM 1612 CD1 TYR A 129 36.256 -17.702 8.393 1.00 0.00 C ATOM 1613 CD2 TYR A 129 36.018 -15.377 8.899 1.00 0.00 C ATOM 1614 CE1 TYR A 129 36.023 -18.026 9.777 1.00 0.00 C ATOM 1615 CE2 TYR A 129 35.784 -15.701 10.282 1.00 0.00 C ATOM 1616 CZ TYR A 129 35.798 -17.010 10.653 1.00 0.00 C ATOM 1617 OH TYR A 129 35.577 -17.317 11.959 1.00 0.00 O ATOM 0 H TYR A 129 35.136 -18.457 5.170 1.00 0.00 H new ATOM 0 HA TYR A 129 34.399 -16.533 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 129 37.400 -16.549 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 129 36.685 -14.969 6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 129 36.436 -18.490 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 129 36.013 -14.346 8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 129 36.027 -19.053 10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 129 35.602 -14.923 11.008 1.00 0.00 H new ATOM 0 HH TYR A 129 35.433 -16.493 12.469 1.00 0.00 H new ATOM 1626 N ASP A 130 34.737 -14.145 5.037 1.00 0.00 N ATOM 1627 CA ASP A 130 34.517 -13.001 4.170 1.00 0.00 C ATOM 1628 C ASP A 130 34.051 -11.811 5.011 1.00 0.00 C ATOM 1629 O ASP A 130 33.339 -11.984 5.998 1.00 0.00 O ATOM 1630 CB ASP A 130 33.433 -13.298 3.130 1.00 0.00 C ATOM 1631 CG ASP A 130 33.072 -12.123 2.219 1.00 0.00 C ATOM 1632 OD1 ASP A 130 33.818 -11.918 1.237 1.00 0.00 O ATOM 1633 OD2 ASP A 130 32.059 -11.458 2.525 1.00 0.00 O ATOM 0 H ASP A 130 34.543 -13.976 6.024 1.00 0.00 H new ATOM 0 HA ASP A 130 35.455 -12.779 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 130 33.764 -14.131 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 130 32.532 -13.626 3.649 1.00 0.00 H new ATOM 1637 N LEU A 131 34.473 -10.627 4.588 1.00 0.00 N ATOM 1638 CA LEU A 131 34.109 -9.409 5.290 1.00 0.00 C ATOM 1639 C LEU A 131 34.147 -8.231 4.313 1.00 0.00 C ATOM 1640 O LEU A 131 35.123 -8.058 3.584 1.00 0.00 O ATOM 1641 CB LEU A 131 34.993 -9.216 6.523 1.00 0.00 C ATOM 1642 CG LEU A 131 34.923 -7.841 7.189 1.00 0.00 C ATOM 1643 CD1 LEU A 131 34.817 -7.973 8.710 1.00 0.00 C ATOM 1644 CD2 LEU A 131 36.109 -6.968 6.772 1.00 0.00 C ATOM 0 H LEU A 131 35.063 -10.487 3.768 1.00 0.00 H new ATOM 0 HA LEU A 131 33.089 -9.477 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 131 34.722 -9.970 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 131 36.027 -9.407 6.238 1.00 0.00 H new ATOM 0 HG LEU A 131 34.018 -7.341 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 131 34.769 -6.981 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 131 33.916 -8.531 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 131 35.691 -8.502 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 131 36.035 -5.996 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 131 37.039 -7.452 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 131 36.099 -6.833 5.690 1.00 0.00 H new ATOM 1655 N HIS A 132 33.076 -7.453 4.331 1.00 0.00 N ATOM 1656 CA HIS A 132 32.977 -6.298 3.456 1.00 0.00 C ATOM 1657 C HIS A 132 33.403 -5.040 4.216 1.00 0.00 C ATOM 1658 O HIS A 132 33.628 -5.087 5.424 1.00 0.00 O ATOM 1659 CB HIS A 132 31.570 -6.183 2.865 1.00 0.00 C ATOM 1660 CG HIS A 132 30.493 -5.914 3.889 1.00 0.00 C ATOM 1661 ND1 HIS A 132 29.145 -5.918 3.576 1.00 0.00 N ATOM 1662 CD2 HIS A 132 30.580 -5.636 5.221 1.00 0.00 C ATOM 1663 CE1 HIS A 132 28.460 -5.650 4.679 1.00 0.00 C ATOM 1664 NE2 HIS A 132 29.351 -5.476 5.696 1.00 0.00 N ATOM 0 H HIS A 132 32.269 -7.599 4.938 1.00 0.00 H new ATOM 0 HA HIS A 132 33.655 -6.419 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 132 31.562 -5.382 2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 132 31.332 -7.107 2.337 1.00 0.00 H new ATOM 0 HD2 HIS A 132 31.493 -5.559 5.792 1.00 0.00 H new ATOM 0 HE1 HIS A 132 27.385 -5.582 4.758 1.00 0.00 H new ATOM 0 HE2 HIS A 132 29.112 -5.258 6.664 1.00 0.00 H new ATOM 1672 N TYR A 133 33.504 -3.945 3.477 1.00 0.00 N ATOM 1673 CA TYR A 133 33.900 -2.677 4.065 1.00 0.00 C ATOM 1674 C TYR A 133 33.021 -2.333 5.270 1.00 0.00 C ATOM 1675 O TYR A 133 33.257 -2.821 6.374 1.00 0.00 O ATOM 1676 CB TYR A 133 33.689 -1.623 2.977 1.00 0.00 C ATOM 1677 CG TYR A 133 34.016 -0.196 3.422 1.00 0.00 C ATOM 1678 CD1 TYR A 133 35.332 0.214 3.511 1.00 0.00 C ATOM 1679 CD2 TYR A 133 32.998 0.681 3.733 1.00 0.00 C ATOM 1680 CE1 TYR A 133 35.640 1.556 3.930 1.00 0.00 C ATOM 1681 CE2 TYR A 133 33.307 2.024 4.152 1.00 0.00 C ATOM 1682 CZ TYR A 133 34.612 2.395 4.229 1.00 0.00 C ATOM 1683 OH TYR A 133 34.904 3.663 4.624 1.00 0.00 O ATOM 0 H TYR A 133 33.318 -3.910 2.475 1.00 0.00 H new ATOM 0 HA TYR A 133 34.933 -2.720 4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 133 34.308 -1.875 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 133 32.651 -1.661 2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 133 36.129 -0.472 3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 133 31.969 0.361 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 133 36.664 1.889 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 133 32.519 2.720 4.399 1.00 0.00 H new ATOM 0 HH TYR A 133 34.072 4.149 4.803 1.00 0.00 H new TER 1692 TYR A 133