USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 117:sc= 0.0414 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0404 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -141:sc= 1.39 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.935 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.43 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0.884 K(o=0.88,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.401 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.1 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00185 X(o=-0.0018,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= 1.59 K(o=1.6,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00504 X(o=-0.005,f=-0.001) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.25 USER MOD Single : A 57 SER OG : rot 79:sc= 1.2 USER MOD Single : A 59 TYR OH : rot 168:sc= 0.332 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -97:sc= 1.23 (180deg=-0.0523) USER MOD Single : A 65 SER OG : rot 67:sc= 1.6 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.854 51.232 20.034 1.00 0.00 N ATOM 2 CA MET A 1 33.164 51.159 21.470 1.00 0.00 C ATOM 3 C MET A 1 34.595 51.658 21.686 1.00 0.00 C ATOM 4 O MET A 1 35.479 51.311 20.906 1.00 0.00 O ATOM 5 CB MET A 1 32.973 49.737 21.988 1.00 0.00 C ATOM 6 CG MET A 1 33.297 49.570 23.470 1.00 0.00 C ATOM 7 SD MET A 1 32.993 47.900 24.098 1.00 0.00 S ATOM 8 CE MET A 1 31.203 47.959 24.355 1.00 0.00 C ATOM 0 H1 MET A 1 31.826 51.161 19.897 1.00 0.00 H new ATOM 0 H2 MET A 1 33.193 52.138 19.651 1.00 0.00 H new ATOM 0 H3 MET A 1 33.324 50.449 19.537 1.00 0.00 H new ATOM 0 HA MET A 1 32.481 51.794 22.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.940 49.434 21.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.604 49.062 21.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.344 49.826 23.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.701 50.279 24.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.859 47.000 24.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.964 48.746 25.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.706 48.167 23.407 1.00 0.00 H new ATOM 20 N GLN A 2 34.835 52.456 22.722 1.00 0.00 N ATOM 21 CA GLN A 2 36.148 52.981 23.038 1.00 0.00 C ATOM 22 C GLN A 2 36.803 52.220 24.193 1.00 0.00 C ATOM 23 O GLN A 2 36.145 51.853 25.163 1.00 0.00 O ATOM 24 CB GLN A 2 36.091 54.487 23.279 1.00 0.00 C ATOM 25 CG GLN A 2 35.799 55.199 21.960 1.00 0.00 C ATOM 26 CD GLN A 2 35.663 56.720 22.046 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.909 57.383 23.053 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.244 57.322 20.938 1.00 0.00 N ATOM 0 H GLN A 2 34.109 52.757 23.372 1.00 0.00 H new ATOM 0 HA GLN A 2 36.791 52.822 22.172 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.317 54.721 24.011 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.037 54.837 23.693 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.597 54.963 21.256 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.877 54.793 21.545 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.040 56.771 20.104 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.126 58.335 20.921 1.00 0.00 H new ATOM 37 N ILE A 3 38.105 51.992 24.053 1.00 0.00 N ATOM 38 CA ILE A 3 38.973 51.371 25.033 1.00 0.00 C ATOM 39 C ILE A 3 40.277 52.162 25.155 1.00 0.00 C ATOM 40 O ILE A 3 40.652 52.892 24.239 1.00 0.00 O ATOM 41 CB ILE A 3 39.230 49.903 24.704 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.914 49.711 23.353 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.937 49.098 24.802 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.387 48.285 23.085 1.00 0.00 C ATOM 0 H ILE A 3 38.605 52.252 23.203 1.00 0.00 H new ATOM 0 HA ILE A 3 38.471 51.390 26.000 1.00 0.00 H new ATOM 0 HB ILE A 3 39.929 49.523 25.449 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.223 50.006 22.564 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.771 50.382 23.294 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.140 48.054 24.564 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.540 49.169 25.815 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.207 49.496 24.097 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.861 48.237 22.105 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.105 47.990 23.850 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.533 47.608 23.109 1.00 0.00 H new ATOM 56 N PHE A 4 41.009 51.971 26.249 1.00 0.00 N ATOM 57 CA PHE A 4 42.321 52.549 26.456 1.00 0.00 C ATOM 58 C PHE A 4 43.394 51.457 26.459 1.00 0.00 C ATOM 59 O PHE A 4 43.282 50.489 27.207 1.00 0.00 O ATOM 60 CB PHE A 4 42.366 53.313 27.777 1.00 0.00 C ATOM 61 CG PHE A 4 41.324 54.392 27.955 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.429 55.598 27.253 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.295 54.213 28.887 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.513 56.630 27.490 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.387 55.251 29.131 1.00 0.00 C ATOM 66 CZ PHE A 4 39.495 56.461 28.435 1.00 0.00 C ATOM 0 H PHE A 4 40.694 51.396 27.030 1.00 0.00 H new ATOM 0 HA PHE A 4 42.519 53.241 25.637 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.261 52.597 28.592 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.352 53.768 27.877 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.218 55.733 26.528 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.202 53.277 29.417 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.592 57.558 26.943 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.600 55.118 29.859 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.795 57.261 28.627 1.00 0.00 H new ATOM 76 N VAL A 5 44.461 51.630 25.683 1.00 0.00 N ATOM 77 CA VAL A 5 45.642 50.793 25.738 1.00 0.00 C ATOM 78 C VAL A 5 46.765 51.553 26.448 1.00 0.00 C ATOM 79 O VAL A 5 47.117 52.659 26.047 1.00 0.00 O ATOM 80 CB VAL A 5 46.049 50.307 24.349 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.287 49.417 24.419 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.933 49.495 23.700 1.00 0.00 C ATOM 0 H VAL A 5 44.524 52.373 24.987 1.00 0.00 H new ATOM 0 HA VAL A 5 45.422 49.894 26.313 1.00 0.00 H new ATOM 0 HB VAL A 5 46.258 51.198 23.757 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.554 49.086 23.416 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.116 49.980 24.848 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.076 48.549 25.044 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.252 49.163 22.712 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.707 48.627 24.319 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.041 50.114 23.604 1.00 0.00 H new ATOM 92 N LYS A 6 47.328 50.952 27.493 1.00 0.00 N ATOM 93 CA LYS A 6 48.460 51.460 28.241 1.00 0.00 C ATOM 94 C LYS A 6 49.761 50.807 27.768 1.00 0.00 C ATOM 95 O LYS A 6 49.859 49.582 27.764 1.00 0.00 O ATOM 96 CB LYS A 6 48.255 51.201 29.732 1.00 0.00 C ATOM 97 CG LYS A 6 47.116 51.996 30.361 1.00 0.00 C ATOM 98 CD LYS A 6 47.318 53.508 30.408 1.00 0.00 C ATOM 99 CE LYS A 6 48.561 53.904 31.201 1.00 0.00 C ATOM 100 NZ LYS A 6 48.592 55.358 31.420 1.00 0.00 N ATOM 0 H LYS A 6 46.988 50.060 27.852 1.00 0.00 H new ATOM 0 HA LYS A 6 48.534 52.534 28.070 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.065 50.138 29.880 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.180 51.436 30.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.201 51.786 29.807 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.963 51.636 31.378 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.401 53.893 29.391 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.441 53.975 30.855 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.568 53.386 32.160 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.457 53.592 30.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.569 55.703 31.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.989 55.828 30.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.240 55.573 32.375 1.00 0.00 H new ATOM 114 N THR A 7 50.769 51.604 27.427 1.00 0.00 N ATOM 115 CA THR A 7 52.105 51.118 27.144 1.00 0.00 C ATOM 116 C THR A 7 52.944 51.038 28.420 1.00 0.00 C ATOM 117 O THR A 7 52.667 51.724 29.401 1.00 0.00 O ATOM 118 CB THR A 7 52.812 51.939 26.069 1.00 0.00 C ATOM 119 OG1 THR A 7 53.246 53.177 26.585 1.00 0.00 O ATOM 120 CG2 THR A 7 51.919 52.210 24.861 1.00 0.00 C ATOM 0 H THR A 7 50.675 52.616 27.340 1.00 0.00 H new ATOM 0 HA THR A 7 51.994 50.110 26.744 1.00 0.00 H new ATOM 0 HB THR A 7 53.665 51.342 25.747 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.224 53.227 26.537 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.469 52.797 24.126 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.614 51.264 24.414 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.035 52.763 25.179 1.00 0.00 H new ATOM 128 N LEU A 8 53.999 50.228 28.420 1.00 0.00 N ATOM 129 CA LEU A 8 54.898 50.075 29.546 1.00 0.00 C ATOM 130 C LEU A 8 55.676 51.351 29.873 1.00 0.00 C ATOM 131 O LEU A 8 56.135 51.510 31.002 1.00 0.00 O ATOM 132 CB LEU A 8 55.835 48.898 29.289 1.00 0.00 C ATOM 133 CG LEU A 8 55.149 47.535 29.245 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.134 46.468 28.779 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.607 47.104 30.605 1.00 0.00 C ATOM 0 H LEU A 8 54.253 49.651 27.618 1.00 0.00 H new ATOM 0 HA LEU A 8 54.292 49.872 30.429 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.350 49.061 28.342 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.597 48.881 30.068 1.00 0.00 H new ATOM 0 HG LEU A 8 54.314 47.636 28.552 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.635 45.499 28.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.497 46.718 27.782 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.975 46.423 29.470 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.130 46.128 30.514 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.427 47.042 31.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.876 47.834 30.953 1.00 0.00 H new ATOM 147 N THR A 9 55.764 52.296 28.941 1.00 0.00 N ATOM 148 CA THR A 9 56.342 53.613 29.114 1.00 0.00 C ATOM 149 C THR A 9 55.324 54.694 29.486 1.00 0.00 C ATOM 150 O THR A 9 55.664 55.874 29.519 1.00 0.00 O ATOM 151 CB THR A 9 57.168 54.016 27.896 1.00 0.00 C ATOM 152 OG1 THR A 9 56.413 53.874 26.714 1.00 0.00 O ATOM 153 CG2 THR A 9 58.403 53.137 27.722 1.00 0.00 C ATOM 0 H THR A 9 55.413 52.149 27.995 1.00 0.00 H new ATOM 0 HA THR A 9 57.008 53.535 29.973 1.00 0.00 H new ATOM 0 HB THR A 9 57.462 55.052 28.066 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.958 54.138 25.944 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.959 53.461 26.843 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.037 53.222 28.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.096 52.099 27.594 1.00 0.00 H new ATOM 161 N GLY A 10 54.087 54.329 29.811 1.00 0.00 N ATOM 162 CA GLY A 10 53.116 55.190 30.455 1.00 0.00 C ATOM 163 C GLY A 10 52.076 55.834 29.535 1.00 0.00 C ATOM 164 O GLY A 10 51.086 56.360 30.039 1.00 0.00 O ATOM 0 H GLY A 10 53.727 53.393 29.624 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.591 54.609 31.213 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.652 55.983 30.976 1.00 0.00 H new ATOM 168 N LYS A 11 52.266 55.779 28.220 1.00 0.00 N ATOM 169 CA LYS A 11 51.381 56.387 27.248 1.00 0.00 C ATOM 170 C LYS A 11 49.996 55.736 27.281 1.00 0.00 C ATOM 171 O LYS A 11 49.884 54.521 27.430 1.00 0.00 O ATOM 172 CB LYS A 11 52.028 56.316 25.868 1.00 0.00 C ATOM 173 CG LYS A 11 51.253 57.029 24.764 1.00 0.00 C ATOM 174 CD LYS A 11 52.055 57.034 23.467 1.00 0.00 C ATOM 175 CE LYS A 11 51.263 57.697 22.344 1.00 0.00 C ATOM 176 NZ LYS A 11 52.063 57.758 21.110 1.00 0.00 N ATOM 0 H LYS A 11 53.060 55.298 27.797 1.00 0.00 H new ATOM 0 HA LYS A 11 51.228 57.437 27.497 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.028 56.746 25.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.148 55.269 25.591 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.296 56.533 24.605 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.035 58.053 25.068 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.995 57.564 23.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.307 56.012 23.186 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.345 57.139 22.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.970 58.703 22.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.450 58.021 20.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.815 58.469 21.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.490 56.828 20.927 1.00 0.00 H new ATOM 190 N THR A 12 48.950 56.537 27.097 1.00 0.00 N ATOM 191 CA THR A 12 47.574 56.096 26.989 1.00 0.00 C ATOM 192 C THR A 12 47.050 56.355 25.575 1.00 0.00 C ATOM 193 O THR A 12 47.090 57.477 25.073 1.00 0.00 O ATOM 194 CB THR A 12 46.673 56.787 28.008 1.00 0.00 C ATOM 195 OG1 THR A 12 47.201 56.681 29.311 1.00 0.00 O ATOM 196 CG2 THR A 12 45.286 56.151 28.059 1.00 0.00 C ATOM 0 H THR A 12 49.048 57.549 27.017 1.00 0.00 H new ATOM 0 HA THR A 12 47.555 55.027 27.199 1.00 0.00 H new ATOM 0 HB THR A 12 46.611 57.827 27.689 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.605 57.134 29.943 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.674 56.671 28.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.815 56.226 27.079 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.377 55.101 28.338 1.00 0.00 H new ATOM 204 N ILE A 13 46.560 55.296 24.935 1.00 0.00 N ATOM 205 CA ILE A 13 46.118 55.272 23.557 1.00 0.00 C ATOM 206 C ILE A 13 44.632 54.905 23.531 1.00 0.00 C ATOM 207 O ILE A 13 44.285 53.754 23.790 1.00 0.00 O ATOM 208 CB ILE A 13 46.989 54.308 22.756 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.466 54.681 22.841 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.547 54.242 21.297 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.426 53.732 22.128 1.00 0.00 C ATOM 0 H ILE A 13 46.459 54.390 25.393 1.00 0.00 H new ATOM 0 HA ILE A 13 46.226 56.250 23.088 1.00 0.00 H new ATOM 0 HB ILE A 13 46.861 53.321 23.201 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.595 55.680 22.425 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.749 54.734 23.892 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.187 53.547 20.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.514 53.900 21.245 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.624 55.232 20.848 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.449 54.089 22.251 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.336 52.734 22.557 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.179 53.695 21.067 1.00 0.00 H new ATOM 223 N THR A 14 43.750 55.855 23.234 1.00 0.00 N ATOM 224 CA THR A 14 42.334 55.595 23.074 1.00 0.00 C ATOM 225 C THR A 14 42.071 54.987 21.695 1.00 0.00 C ATOM 226 O THR A 14 42.322 55.638 20.683 1.00 0.00 O ATOM 227 CB THR A 14 41.476 56.847 23.244 1.00 0.00 C ATOM 228 OG1 THR A 14 41.766 57.544 24.434 1.00 0.00 O ATOM 229 CG2 THR A 14 39.996 56.485 23.314 1.00 0.00 C ATOM 0 H THR A 14 44.006 56.833 23.098 1.00 0.00 H new ATOM 0 HA THR A 14 42.051 54.897 23.862 1.00 0.00 H new ATOM 0 HB THR A 14 41.701 57.471 22.379 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.516 56.993 25.205 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.405 57.393 23.435 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.701 55.980 22.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.823 55.823 24.163 1.00 0.00 H new ATOM 237 N LEU A 15 41.547 53.766 21.634 1.00 0.00 N ATOM 238 CA LEU A 15 41.198 53.088 20.402 1.00 0.00 C ATOM 239 C LEU A 15 39.682 52.943 20.249 1.00 0.00 C ATOM 240 O LEU A 15 38.989 52.599 21.205 1.00 0.00 O ATOM 241 CB LEU A 15 41.883 51.728 20.314 1.00 0.00 C ATOM 242 CG LEU A 15 43.409 51.742 20.324 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.925 50.309 20.224 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.012 52.529 19.163 1.00 0.00 C ATOM 0 H LEU A 15 41.350 53.211 22.467 1.00 0.00 H new ATOM 0 HA LEU A 15 41.556 53.705 19.578 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.540 51.117 21.149 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.551 51.235 19.400 1.00 0.00 H new ATOM 0 HG LEU A 15 43.707 52.225 21.254 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.015 50.313 20.231 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.559 49.731 21.072 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.570 49.858 19.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.100 52.499 19.229 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.694 52.086 18.219 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.674 53.564 19.211 1.00 0.00 H new ATOM 256 N GLU A 16 39.181 53.148 19.035 1.00 0.00 N ATOM 257 CA GLU A 16 37.815 52.856 18.647 1.00 0.00 C ATOM 258 C GLU A 16 37.759 51.472 17.997 1.00 0.00 C ATOM 259 O GLU A 16 38.442 51.213 17.010 1.00 0.00 O ATOM 260 CB GLU A 16 37.312 53.969 17.732 1.00 0.00 C ATOM 261 CG GLU A 16 35.858 53.850 17.286 1.00 0.00 C ATOM 262 CD GLU A 16 34.846 54.229 18.370 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.860 55.384 18.848 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.970 53.396 18.690 1.00 0.00 O ATOM 0 H GLU A 16 39.737 53.535 18.273 1.00 0.00 H new ATOM 0 HA GLU A 16 37.155 52.826 19.514 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.439 54.922 18.246 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.944 53.999 16.845 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.701 54.488 16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.668 52.825 16.967 1.00 0.00 H new ATOM 271 N VAL A 17 36.974 50.565 18.573 1.00 0.00 N ATOM 272 CA VAL A 17 36.856 49.167 18.211 1.00 0.00 C ATOM 273 C VAL A 17 35.390 48.728 18.203 1.00 0.00 C ATOM 274 O VAL A 17 34.551 49.326 18.873 1.00 0.00 O ATOM 275 CB VAL A 17 37.670 48.279 19.147 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.166 48.580 19.078 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.241 48.390 20.608 1.00 0.00 C ATOM 0 H VAL A 17 36.367 50.809 19.355 1.00 0.00 H new ATOM 0 HA VAL A 17 37.258 49.054 17.204 1.00 0.00 H new ATOM 0 HB VAL A 17 37.474 47.267 18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.701 47.922 19.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.524 48.415 18.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.342 49.618 19.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.860 47.733 21.220 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.361 49.420 20.945 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.196 48.096 20.704 1.00 0.00 H new ATOM 287 N GLU A 18 35.062 47.667 17.471 1.00 0.00 N ATOM 288 CA GLU A 18 33.726 47.105 17.452 1.00 0.00 C ATOM 289 C GLU A 18 33.635 45.878 18.360 1.00 0.00 C ATOM 290 O GLU A 18 34.564 45.073 18.355 1.00 0.00 O ATOM 291 CB GLU A 18 33.296 46.767 16.028 1.00 0.00 C ATOM 292 CG GLU A 18 33.259 47.998 15.127 1.00 0.00 C ATOM 293 CD GLU A 18 32.670 47.638 13.761 1.00 0.00 C ATOM 294 OE1 GLU A 18 33.439 47.325 12.827 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.429 47.632 13.613 1.00 0.00 O ATOM 0 H GLU A 18 35.724 47.174 16.872 1.00 0.00 H new ATOM 0 HA GLU A 18 33.039 47.858 17.839 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.983 46.033 15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.309 46.305 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.661 48.781 15.594 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.266 48.397 15.003 1.00 0.00 H new ATOM 302 N PRO A 19 32.549 45.652 19.095 1.00 0.00 N ATOM 303 CA PRO A 19 32.376 44.483 19.932 1.00 0.00 C ATOM 304 C PRO A 19 32.600 43.125 19.264 1.00 0.00 C ATOM 305 O PRO A 19 32.891 42.155 19.962 1.00 0.00 O ATOM 306 CB PRO A 19 30.947 44.577 20.460 1.00 0.00 C ATOM 307 CG PRO A 19 30.689 46.080 20.519 1.00 0.00 C ATOM 308 CD PRO A 19 31.477 46.601 19.321 1.00 0.00 C ATOM 0 HA PRO A 19 33.148 44.505 20.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.241 44.074 19.799 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.850 44.114 21.442 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.627 46.312 20.438 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.040 46.515 21.455 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.838 46.683 18.441 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.874 47.596 19.520 1.00 0.00 H new ATOM 316 N SER A 20 32.463 43.036 17.944 1.00 0.00 N ATOM 317 CA SER A 20 32.672 41.840 17.153 1.00 0.00 C ATOM 318 C SER A 20 34.085 41.681 16.584 1.00 0.00 C ATOM 319 O SER A 20 34.348 40.678 15.927 1.00 0.00 O ATOM 320 CB SER A 20 31.644 41.768 16.027 1.00 0.00 C ATOM 321 OG SER A 20 30.335 41.920 16.526 1.00 0.00 O ATOM 0 H SER A 20 32.190 43.838 17.375 1.00 0.00 H new ATOM 0 HA SER A 20 32.543 41.009 17.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.849 42.547 15.292 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.731 40.812 15.511 1.00 0.00 H new ATOM 0 HG SER A 20 29.695 41.872 15.785 1.00 0.00 H new ATOM 327 N ASP A 21 34.995 42.622 16.819 1.00 0.00 N ATOM 328 CA ASP A 21 36.373 42.534 16.378 1.00 0.00 C ATOM 329 C ASP A 21 37.166 41.482 17.155 1.00 0.00 C ATOM 330 O ASP A 21 36.887 41.210 18.321 1.00 0.00 O ATOM 331 CB ASP A 21 37.076 43.883 16.501 1.00 0.00 C ATOM 332 CG ASP A 21 36.683 44.921 15.449 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.364 44.546 14.298 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.825 46.131 15.726 1.00 0.00 O ATOM 0 H ASP A 21 34.786 43.480 17.330 1.00 0.00 H new ATOM 0 HA ASP A 21 36.340 42.233 15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.868 44.294 17.489 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.152 43.720 16.443 1.00 0.00 H new ATOM 339 N THR A 22 38.205 40.930 16.537 1.00 0.00 N ATOM 340 CA THR A 22 39.185 40.069 17.169 1.00 0.00 C ATOM 341 C THR A 22 40.450 40.843 17.543 1.00 0.00 C ATOM 342 O THR A 22 40.737 41.913 17.011 1.00 0.00 O ATOM 343 CB THR A 22 39.551 38.857 16.317 1.00 0.00 C ATOM 344 OG1 THR A 22 40.359 39.233 15.224 1.00 0.00 O ATOM 345 CG2 THR A 22 38.357 38.082 15.771 1.00 0.00 C ATOM 0 H THR A 22 38.390 41.079 15.545 1.00 0.00 H new ATOM 0 HA THR A 22 38.711 39.698 18.078 1.00 0.00 H new ATOM 0 HB THR A 22 40.087 38.199 17.001 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.582 38.440 14.694 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.711 37.239 15.178 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.752 37.714 16.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.753 38.738 15.144 1.00 0.00 H new ATOM 353 N ILE A 23 41.255 40.271 18.434 1.00 0.00 N ATOM 354 CA ILE A 23 42.419 40.905 19.020 1.00 0.00 C ATOM 355 C ILE A 23 43.453 41.354 17.987 1.00 0.00 C ATOM 356 O ILE A 23 44.068 42.406 18.143 1.00 0.00 O ATOM 357 CB ILE A 23 43.039 39.979 20.064 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.022 39.393 21.038 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.158 40.667 20.840 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.150 40.393 21.791 1.00 0.00 C ATOM 0 H ILE A 23 41.105 39.322 18.775 1.00 0.00 H new ATOM 0 HA ILE A 23 42.078 41.821 19.504 1.00 0.00 H new ATOM 0 HB ILE A 23 43.457 39.150 19.493 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.368 38.718 20.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.558 38.789 21.770 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.572 39.974 21.572 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.942 40.977 20.149 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.760 41.542 21.353 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.469 39.857 22.451 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.783 41.055 22.382 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.575 40.983 21.078 1.00 0.00 H new ATOM 372 N GLU A 24 43.628 40.615 16.895 1.00 0.00 N ATOM 373 CA GLU A 24 44.622 40.907 15.882 1.00 0.00 C ATOM 374 C GLU A 24 44.376 42.250 15.191 1.00 0.00 C ATOM 375 O GLU A 24 45.299 43.040 15.005 1.00 0.00 O ATOM 376 CB GLU A 24 44.651 39.769 14.864 1.00 0.00 C ATOM 377 CG GLU A 24 45.903 39.767 13.991 1.00 0.00 C ATOM 378 CD GLU A 24 47.177 39.619 14.827 1.00 0.00 C ATOM 379 OE1 GLU A 24 48.181 40.307 14.545 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.178 38.834 15.799 1.00 0.00 O ATOM 0 H GLU A 24 43.071 39.785 16.692 1.00 0.00 H new ATOM 0 HA GLU A 24 45.592 40.988 16.373 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.584 38.818 15.392 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.771 39.841 14.224 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.843 38.951 13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.949 40.694 13.419 1.00 0.00 H new ATOM 387 N ASN A 25 43.116 42.564 14.906 1.00 0.00 N ATOM 388 CA ASN A 25 42.737 43.830 14.312 1.00 0.00 C ATOM 389 C ASN A 25 42.951 45.016 15.255 1.00 0.00 C ATOM 390 O ASN A 25 43.143 46.132 14.777 1.00 0.00 O ATOM 391 CB ASN A 25 41.299 43.706 13.816 1.00 0.00 C ATOM 392 CG ASN A 25 40.847 44.927 13.011 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.073 45.758 13.482 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.327 45.089 11.783 1.00 0.00 N ATOM 0 H ASN A 25 42.329 41.940 15.084 1.00 0.00 H new ATOM 0 HA ASN A 25 43.389 44.047 13.466 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.208 42.813 13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.634 43.572 14.669 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.053 45.902 11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.969 44.400 11.391 1.00 0.00 H new ATOM 401 N VAL A 26 43.023 44.791 16.564 1.00 0.00 N ATOM 402 CA VAL A 26 43.399 45.812 17.522 1.00 0.00 C ATOM 403 C VAL A 26 44.916 46.012 17.527 1.00 0.00 C ATOM 404 O VAL A 26 45.377 47.150 17.474 1.00 0.00 O ATOM 405 CB VAL A 26 42.868 45.513 18.921 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.067 46.708 19.850 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.382 45.170 18.927 1.00 0.00 C ATOM 0 H VAL A 26 42.819 43.886 16.987 1.00 0.00 H new ATOM 0 HA VAL A 26 42.933 46.746 17.207 1.00 0.00 H new ATOM 0 HB VAL A 26 43.436 44.650 19.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.680 46.468 20.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.130 46.940 19.922 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.534 47.571 19.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.060 44.967 19.948 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.813 46.009 18.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.210 44.288 18.310 1.00 0.00 H new ATOM 417 N LYS A 27 45.711 44.947 17.488 1.00 0.00 N ATOM 418 CA LYS A 27 47.154 45.029 17.393 1.00 0.00 C ATOM 419 C LYS A 27 47.623 45.765 16.136 1.00 0.00 C ATOM 420 O LYS A 27 48.589 46.522 16.190 1.00 0.00 O ATOM 421 CB LYS A 27 47.786 43.642 17.471 1.00 0.00 C ATOM 422 CG LYS A 27 47.518 42.930 18.794 1.00 0.00 C ATOM 423 CD LYS A 27 48.366 41.677 18.988 1.00 0.00 C ATOM 424 CE LYS A 27 48.258 40.678 17.838 1.00 0.00 C ATOM 425 NZ LYS A 27 49.197 39.557 17.995 1.00 0.00 N ATOM 0 H LYS A 27 45.359 43.990 17.522 1.00 0.00 H new ATOM 0 HA LYS A 27 47.488 45.617 18.248 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.405 43.030 16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.863 43.732 17.327 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.709 43.620 19.615 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.464 42.658 18.845 1.00 0.00 H new ATOM 0 HD2 LYS A 27 49.409 41.970 19.106 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.066 41.186 19.914 1.00 0.00 H new ATOM 0 HE2 LYS A 27 47.239 40.294 17.786 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.455 41.187 16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.948 38.799 17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 50.165 39.885 17.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.144 39.193 18.968 1.00 0.00 H new ATOM 439 N ALA A 28 46.912 45.615 15.022 1.00 0.00 N ATOM 440 CA ALA A 28 47.167 46.363 13.808 1.00 0.00 C ATOM 441 C ALA A 28 46.954 47.871 13.954 1.00 0.00 C ATOM 442 O ALA A 28 47.690 48.651 13.358 1.00 0.00 O ATOM 443 CB ALA A 28 46.310 45.762 12.696 1.00 0.00 C ATOM 0 H ALA A 28 46.134 44.960 14.942 1.00 0.00 H new ATOM 0 HA ALA A 28 48.225 46.272 13.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.483 46.308 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.578 44.715 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.257 45.834 12.969 1.00 0.00 H new ATOM 449 N LYS A 29 46.021 48.324 14.787 1.00 0.00 N ATOM 450 CA LYS A 29 45.826 49.728 15.088 1.00 0.00 C ATOM 451 C LYS A 29 46.953 50.288 15.959 1.00 0.00 C ATOM 452 O LYS A 29 47.369 51.427 15.761 1.00 0.00 O ATOM 453 CB LYS A 29 44.473 49.982 15.744 1.00 0.00 C ATOM 454 CG LYS A 29 43.304 49.629 14.828 1.00 0.00 C ATOM 455 CD LYS A 29 41.954 49.825 15.513 1.00 0.00 C ATOM 456 CE LYS A 29 40.836 49.518 14.521 1.00 0.00 C ATOM 457 NZ LYS A 29 39.534 49.406 15.196 1.00 0.00 N ATOM 0 H LYS A 29 45.371 47.710 15.277 1.00 0.00 H new ATOM 0 HA LYS A 29 45.846 50.254 14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.402 49.397 16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.403 51.032 16.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.348 50.248 13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.398 48.592 14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.875 49.171 16.381 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.863 50.849 15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.790 50.304 13.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.057 48.588 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.775 49.384 14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.508 48.531 15.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.397 50.224 15.823 1.00 0.00 H new ATOM 471 N ILE A 30 47.479 49.478 16.873 1.00 0.00 N ATOM 472 CA ILE A 30 48.609 49.799 17.722 1.00 0.00 C ATOM 473 C ILE A 30 49.903 49.920 16.915 1.00 0.00 C ATOM 474 O ILE A 30 50.741 50.757 17.243 1.00 0.00 O ATOM 475 CB ILE A 30 48.709 48.782 18.855 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.480 48.847 19.757 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.975 48.954 19.687 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.362 47.692 20.749 1.00 0.00 C ATOM 0 H ILE A 30 47.110 48.543 17.045 1.00 0.00 H new ATOM 0 HA ILE A 30 48.449 50.779 18.171 1.00 0.00 H new ATOM 0 HB ILE A 30 48.758 47.800 18.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.501 49.785 20.312 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.587 48.866 19.132 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.995 48.205 20.479 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.850 48.830 19.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.987 49.950 20.130 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.461 47.818 21.349 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.306 46.749 20.205 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.235 47.683 21.402 1.00 0.00 H new ATOM 490 N GLN A 31 50.061 49.176 15.824 1.00 0.00 N ATOM 491 CA GLN A 31 51.201 49.312 14.940 1.00 0.00 C ATOM 492 C GLN A 31 51.246 50.679 14.255 1.00 0.00 C ATOM 493 O GLN A 31 52.318 51.265 14.123 1.00 0.00 O ATOM 494 CB GLN A 31 51.191 48.165 13.931 1.00 0.00 C ATOM 495 CG GLN A 31 52.505 48.096 13.159 1.00 0.00 C ATOM 496 CD GLN A 31 52.597 46.945 12.155 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.638 46.238 11.853 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.782 46.707 11.601 1.00 0.00 N ATOM 0 H GLN A 31 49.396 48.460 15.532 1.00 0.00 H new ATOM 0 HA GLN A 31 52.113 49.254 15.535 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.022 47.222 14.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.364 48.298 13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.648 49.037 12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.325 48.005 13.871 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.585 47.288 11.844 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.888 45.944 10.933 1.00 0.00 H new ATOM 507 N ASP A 32 50.096 51.235 13.884 1.00 0.00 N ATOM 508 CA ASP A 32 49.972 52.573 13.343 1.00 0.00 C ATOM 509 C ASP A 32 50.255 53.682 14.359 1.00 0.00 C ATOM 510 O ASP A 32 50.575 54.805 13.975 1.00 0.00 O ATOM 511 CB ASP A 32 48.607 52.674 12.668 1.00 0.00 C ATOM 512 CG ASP A 32 48.211 54.060 12.156 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.141 54.538 12.591 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.928 54.644 11.313 1.00 0.00 O ATOM 0 H ASP A 32 49.203 50.748 13.956 1.00 0.00 H new ATOM 0 HA ASP A 32 50.752 52.739 12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.587 51.979 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.848 52.340 13.376 1.00 0.00 H new ATOM 519 N LYS A 33 50.208 53.369 15.651 1.00 0.00 N ATOM 520 CA LYS A 33 50.566 54.265 16.732 1.00 0.00 C ATOM 521 C LYS A 33 52.047 54.169 17.103 1.00 0.00 C ATOM 522 O LYS A 33 52.775 55.142 16.920 1.00 0.00 O ATOM 523 CB LYS A 33 49.651 54.039 17.931 1.00 0.00 C ATOM 524 CG LYS A 33 48.196 54.423 17.682 1.00 0.00 C ATOM 525 CD LYS A 33 47.974 55.933 17.718 1.00 0.00 C ATOM 526 CE LYS A 33 46.508 56.260 17.447 1.00 0.00 C ATOM 527 NZ LYS A 33 46.243 57.689 17.671 1.00 0.00 N ATOM 0 H LYS A 33 49.908 52.451 15.979 1.00 0.00 H new ATOM 0 HA LYS A 33 50.417 55.287 16.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.695 52.988 18.216 1.00 0.00 H new ATOM 0 HB3 LYS A 33 50.028 54.614 18.777 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.883 54.036 16.712 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.565 53.948 18.433 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.268 56.327 18.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 48.605 56.418 16.974 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.255 55.995 16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.871 55.661 18.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.240 57.890 17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.464 57.933 18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.837 58.256 17.033 1.00 0.00 H new ATOM 541 N GLU A 34 52.504 53.022 17.597 1.00 0.00 N ATOM 542 CA GLU A 34 53.803 52.861 18.216 1.00 0.00 C ATOM 543 C GLU A 34 54.851 52.137 17.367 1.00 0.00 C ATOM 544 O GLU A 34 56.008 52.072 17.779 1.00 0.00 O ATOM 545 CB GLU A 34 53.656 52.182 19.574 1.00 0.00 C ATOM 546 CG GLU A 34 52.866 52.978 20.609 1.00 0.00 C ATOM 547 CD GLU A 34 53.527 54.318 20.941 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.467 54.370 21.762 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.118 55.352 20.369 1.00 0.00 O ATOM 0 H GLU A 34 51.961 52.159 17.574 1.00 0.00 H new ATOM 0 HA GLU A 34 54.191 53.873 18.331 1.00 0.00 H new ATOM 0 HB2 GLU A 34 53.170 51.217 19.431 1.00 0.00 H new ATOM 0 HB3 GLU A 34 54.650 51.981 19.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.858 53.156 20.235 1.00 0.00 H new ATOM 0 HG3 GLU A 34 52.768 52.388 21.520 1.00 0.00 H new ATOM 556 N GLY A 35 54.501 51.602 16.202 1.00 0.00 N ATOM 557 CA GLY A 35 55.436 50.946 15.311 1.00 0.00 C ATOM 558 C GLY A 35 55.898 49.552 15.744 1.00 0.00 C ATOM 559 O GLY A 35 56.936 49.083 15.285 1.00 0.00 O ATOM 0 H GLY A 35 53.544 51.615 15.850 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.976 50.867 14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.314 51.583 15.203 1.00 0.00 H new ATOM 563 N ILE A 36 55.175 48.896 16.646 1.00 0.00 N ATOM 564 CA ILE A 36 55.503 47.589 17.183 1.00 0.00 C ATOM 565 C ILE A 36 54.828 46.521 16.322 1.00 0.00 C ATOM 566 O ILE A 36 53.605 46.557 16.211 1.00 0.00 O ATOM 567 CB ILE A 36 55.090 47.470 18.647 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.619 48.603 19.521 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.577 46.138 19.210 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.852 48.741 20.834 1.00 0.00 C ATOM 0 H ILE A 36 54.313 49.278 17.035 1.00 0.00 H new ATOM 0 HA ILE A 36 56.583 47.446 17.153 1.00 0.00 H new ATOM 0 HB ILE A 36 54.002 47.531 18.668 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.673 48.428 19.737 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.558 49.541 18.969 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.281 46.055 20.256 1.00 0.00 H new ATOM 0 HG22 ILE A 36 55.135 45.319 18.642 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.663 46.087 19.135 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.271 49.562 21.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.802 48.945 20.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.934 47.815 21.403 1.00 0.00 H new ATOM 582 N PRO A 37 55.542 45.560 15.743 1.00 0.00 N ATOM 583 CA PRO A 37 54.938 44.492 14.970 1.00 0.00 C ATOM 584 C PRO A 37 53.912 43.675 15.758 1.00 0.00 C ATOM 585 O PRO A 37 54.196 43.302 16.895 1.00 0.00 O ATOM 586 CB PRO A 37 56.090 43.619 14.483 1.00 0.00 C ATOM 587 CG PRO A 37 57.273 44.582 14.437 1.00 0.00 C ATOM 588 CD PRO A 37 56.985 45.496 15.626 1.00 0.00 C ATOM 0 HA PRO A 37 54.368 44.913 14.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.277 42.786 15.161 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.882 43.191 13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.226 44.063 14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.313 45.134 13.498 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.433 45.102 16.538 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.408 46.488 15.466 1.00 0.00 H new ATOM 596 N PRO A 38 52.751 43.342 15.201 1.00 0.00 N ATOM 597 CA PRO A 38 51.728 42.572 15.880 1.00 0.00 C ATOM 598 C PRO A 38 52.170 41.216 16.429 1.00 0.00 C ATOM 599 O PRO A 38 51.623 40.778 17.439 1.00 0.00 O ATOM 600 CB PRO A 38 50.598 42.411 14.866 1.00 0.00 C ATOM 601 CG PRO A 38 50.697 43.692 14.043 1.00 0.00 C ATOM 602 CD PRO A 38 52.205 43.912 13.986 1.00 0.00 C ATOM 0 HA PRO A 38 51.431 43.109 16.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.732 41.523 14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.628 42.317 15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.263 43.574 13.050 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.180 44.525 14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.634 43.433 13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.440 44.974 13.916 1.00 0.00 H new ATOM 610 N ASP A 39 53.184 40.575 15.855 1.00 0.00 N ATOM 611 CA ASP A 39 53.752 39.346 16.373 1.00 0.00 C ATOM 612 C ASP A 39 54.578 39.539 17.646 1.00 0.00 C ATOM 613 O ASP A 39 54.688 38.614 18.449 1.00 0.00 O ATOM 614 CB ASP A 39 54.567 38.645 15.290 1.00 0.00 C ATOM 615 CG ASP A 39 55.752 39.474 14.789 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.523 40.444 14.033 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.913 39.147 15.118 1.00 0.00 O ATOM 0 H ASP A 39 53.638 40.905 15.003 1.00 0.00 H new ATOM 0 HA ASP A 39 52.913 38.713 16.662 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.936 37.696 15.680 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.915 38.412 14.449 1.00 0.00 H new ATOM 622 N GLN A 40 55.114 40.733 17.875 1.00 0.00 N ATOM 623 CA GLN A 40 55.799 41.095 19.101 1.00 0.00 C ATOM 624 C GLN A 40 54.822 41.502 20.206 1.00 0.00 C ATOM 625 O GLN A 40 55.079 41.209 21.372 1.00 0.00 O ATOM 626 CB GLN A 40 56.792 42.229 18.862 1.00 0.00 C ATOM 627 CG GLN A 40 57.884 41.849 17.865 1.00 0.00 C ATOM 628 CD GLN A 40 58.928 42.946 17.647 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.032 43.932 18.374 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.741 42.798 16.606 1.00 0.00 N ATOM 0 H GLN A 40 55.081 41.491 17.194 1.00 0.00 H new ATOM 0 HA GLN A 40 56.338 40.206 19.429 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.257 43.105 18.494 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.251 42.511 19.809 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.386 40.947 18.216 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.421 41.605 16.909 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.654 41.980 16.003 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.452 43.503 16.410 1.00 0.00 H new ATOM 639 N GLN A 41 53.725 42.164 19.853 1.00 0.00 N ATOM 640 CA GLN A 41 52.716 42.634 20.781 1.00 0.00 C ATOM 641 C GLN A 41 51.948 41.491 21.447 1.00 0.00 C ATOM 642 O GLN A 41 51.642 40.488 20.805 1.00 0.00 O ATOM 643 CB GLN A 41 51.700 43.501 20.044 1.00 0.00 C ATOM 644 CG GLN A 41 52.166 44.817 19.427 1.00 0.00 C ATOM 645 CD GLN A 41 50.988 45.515 18.746 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.869 45.539 19.256 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.147 46.077 17.552 1.00 0.00 N ATOM 0 H GLN A 41 53.512 42.393 18.882 1.00 0.00 H new ATOM 0 HA GLN A 41 53.244 43.197 21.551 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.268 42.897 19.246 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.894 43.731 20.742 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.586 45.462 20.198 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.958 44.629 18.702 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.063 46.073 17.104 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.353 46.513 17.084 1.00 0.00 H new ATOM 656 N ARG A 42 51.535 41.677 22.698 1.00 0.00 N ATOM 657 CA ARG A 42 50.472 40.959 23.371 1.00 0.00 C ATOM 658 C ARG A 42 49.581 41.926 24.150 1.00 0.00 C ATOM 659 O ARG A 42 50.078 42.914 24.688 1.00 0.00 O ATOM 660 CB ARG A 42 51.035 39.905 24.322 1.00 0.00 C ATOM 661 CG ARG A 42 51.800 38.766 23.654 1.00 0.00 C ATOM 662 CD ARG A 42 50.936 37.944 22.702 1.00 0.00 C ATOM 663 NE ARG A 42 51.680 36.806 22.163 1.00 0.00 N ATOM 664 CZ ARG A 42 52.565 36.812 21.156 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.834 37.909 20.435 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.226 35.678 20.890 1.00 0.00 N ATOM 0 H ARG A 42 51.965 42.379 23.301 1.00 0.00 H new ATOM 0 HA ARG A 42 49.878 40.458 22.607 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.698 40.398 25.033 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.211 39.480 24.896 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.646 39.178 23.104 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.208 38.110 24.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.050 37.587 23.227 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.589 38.576 21.884 1.00 0.00 H new ATOM 0 HE ARG A 42 51.505 35.903 22.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.357 38.786 20.644 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.516 37.867 19.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.049 34.842 21.447 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.906 35.650 20.130 1.00 0.00 H new ATOM 680 N LEU A 43 48.286 41.634 24.237 1.00 0.00 N ATOM 681 CA LEU A 43 47.317 42.419 24.975 1.00 0.00 C ATOM 682 C LEU A 43 46.740 41.632 26.154 1.00 0.00 C ATOM 683 O LEU A 43 46.297 40.497 25.990 1.00 0.00 O ATOM 684 CB LEU A 43 46.223 42.910 24.032 1.00 0.00 C ATOM 685 CG LEU A 43 46.658 44.040 23.103 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.616 44.242 22.007 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.809 45.364 23.845 1.00 0.00 C ATOM 0 H LEU A 43 47.876 40.819 23.780 1.00 0.00 H new ATOM 0 HA LEU A 43 47.821 43.288 25.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.876 42.071 23.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.373 43.249 24.625 1.00 0.00 H new ATOM 0 HG LEU A 43 47.622 43.751 22.685 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.933 45.050 21.348 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.512 43.323 21.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.658 44.497 22.459 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.120 46.140 23.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.855 45.641 24.293 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.561 45.259 24.627 1.00 0.00 H new ATOM 699 N ILE A 44 46.745 42.249 27.332 1.00 0.00 N ATOM 700 CA ILE A 44 46.183 41.727 28.560 1.00 0.00 C ATOM 701 C ILE A 44 44.985 42.581 28.980 1.00 0.00 C ATOM 702 O ILE A 44 45.050 43.807 28.950 1.00 0.00 O ATOM 703 CB ILE A 44 47.245 41.625 29.650 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.308 40.552 29.432 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.622 41.338 31.014 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.304 40.794 28.300 1.00 0.00 C ATOM 0 H ILE A 44 47.163 43.171 27.455 1.00 0.00 H new ATOM 0 HA ILE A 44 45.824 40.712 28.392 1.00 0.00 H new ATOM 0 HB ILE A 44 47.728 42.601 29.607 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.869 40.435 30.359 1.00 0.00 H new ATOM 0 HG13 ILE A 44 47.802 39.605 29.244 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.408 41.272 31.766 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.935 42.142 31.277 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.078 40.394 30.974 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.006 39.961 28.249 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.768 40.875 27.355 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.851 41.718 28.488 1.00 0.00 H new ATOM 718 N PHE A 45 43.904 41.943 29.421 1.00 0.00 N ATOM 719 CA PHE A 45 42.776 42.557 30.093 1.00 0.00 C ATOM 720 C PHE A 45 42.540 41.846 31.427 1.00 0.00 C ATOM 721 O PHE A 45 42.453 40.620 31.444 1.00 0.00 O ATOM 722 CB PHE A 45 41.549 42.465 29.191 1.00 0.00 C ATOM 723 CG PHE A 45 40.260 42.986 29.777 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.148 44.330 30.154 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.149 42.144 29.904 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.947 44.819 30.682 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.939 42.632 30.411 1.00 0.00 C ATOM 728 CZ PHE A 45 37.839 43.972 30.803 1.00 0.00 C ATOM 0 H PHE A 45 43.791 40.935 29.311 1.00 0.00 H new ATOM 0 HA PHE A 45 42.976 43.609 30.296 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.756 43.013 28.272 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.404 41.421 28.913 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.993 44.993 30.037 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.226 41.108 29.608 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.875 45.850 30.996 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.085 41.977 30.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.908 44.352 31.198 1.00 0.00 H new ATOM 738 N ALA A 46 42.459 42.582 32.531 1.00 0.00 N ATOM 739 CA ALA A 46 42.209 42.055 33.858 1.00 0.00 C ATOM 740 C ALA A 46 43.036 40.817 34.212 1.00 0.00 C ATOM 741 O ALA A 46 42.505 39.792 34.632 1.00 0.00 O ATOM 742 CB ALA A 46 40.702 41.891 34.028 1.00 0.00 C ATOM 0 H ALA A 46 42.570 43.596 32.520 1.00 0.00 H new ATOM 0 HA ALA A 46 42.565 42.771 34.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.489 41.495 35.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.215 42.859 33.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.324 41.201 33.273 1.00 0.00 H new ATOM 748 N GLY A 47 44.346 40.872 33.989 1.00 0.00 N ATOM 749 CA GLY A 47 45.269 39.783 34.239 1.00 0.00 C ATOM 750 C GLY A 47 45.187 38.577 33.302 1.00 0.00 C ATOM 751 O GLY A 47 45.909 37.608 33.525 1.00 0.00 O ATOM 0 H GLY A 47 44.803 41.705 33.617 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.283 40.180 34.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.111 39.432 35.259 1.00 0.00 H new ATOM 755 N LYS A 48 44.367 38.613 32.255 1.00 0.00 N ATOM 756 CA LYS A 48 44.165 37.561 31.278 1.00 0.00 C ATOM 757 C LYS A 48 44.776 37.965 29.934 1.00 0.00 C ATOM 758 O LYS A 48 44.412 39.005 29.391 1.00 0.00 O ATOM 759 CB LYS A 48 42.673 37.292 31.114 1.00 0.00 C ATOM 760 CG LYS A 48 41.942 36.913 32.399 1.00 0.00 C ATOM 761 CD LYS A 48 40.429 36.996 32.215 1.00 0.00 C ATOM 762 CE LYS A 48 39.708 36.756 33.538 1.00 0.00 C ATOM 763 NZ LYS A 48 38.257 36.969 33.417 1.00 0.00 N ATOM 0 H LYS A 48 43.792 39.432 32.059 1.00 0.00 H new ATOM 0 HA LYS A 48 44.656 36.653 31.626 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.203 38.181 30.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.541 36.489 30.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.221 35.902 32.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.250 37.578 33.206 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.159 37.976 31.821 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.106 36.258 31.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.899 35.737 33.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.111 37.425 34.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.803 36.796 34.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.074 37.948 33.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.868 36.313 32.710 1.00 0.00 H new ATOM 777 N GLN A 49 45.683 37.167 29.378 1.00 0.00 N ATOM 778 CA GLN A 49 46.216 37.406 28.052 1.00 0.00 C ATOM 779 C GLN A 49 45.225 36.987 26.965 1.00 0.00 C ATOM 780 O GLN A 49 44.636 35.910 27.035 1.00 0.00 O ATOM 781 CB GLN A 49 47.586 36.753 27.886 1.00 0.00 C ATOM 782 CG GLN A 49 48.276 37.235 26.614 1.00 0.00 C ATOM 783 CD GLN A 49 49.711 36.718 26.496 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.544 36.925 27.377 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.070 36.025 25.420 1.00 0.00 N ATOM 0 H GLN A 49 46.065 36.340 29.837 1.00 0.00 H new ATOM 0 HA GLN A 49 46.363 38.480 27.933 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.209 36.983 28.750 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.474 35.669 27.854 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.703 36.908 25.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.283 38.325 26.599 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.392 35.844 24.680 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.024 35.674 25.334 1.00 0.00 H new ATOM 794 N LEU A 50 45.051 37.847 25.965 1.00 0.00 N ATOM 795 CA LEU A 50 44.042 37.750 24.930 1.00 0.00 C ATOM 796 C LEU A 50 44.582 37.117 23.646 1.00 0.00 C ATOM 797 O LEU A 50 45.763 37.237 23.326 1.00 0.00 O ATOM 798 CB LEU A 50 43.467 39.139 24.667 1.00 0.00 C ATOM 799 CG LEU A 50 42.955 39.910 25.879 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.473 41.290 25.442 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.799 39.184 26.562 1.00 0.00 C ATOM 0 H LEU A 50 45.643 38.670 25.855 1.00 0.00 H new ATOM 0 HA LEU A 50 43.251 37.087 25.280 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.237 39.740 24.182 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.647 39.039 23.956 1.00 0.00 H new ATOM 0 HG LEU A 50 43.779 39.996 26.587 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.107 41.839 26.310 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.299 41.837 24.988 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.667 41.181 24.716 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.462 39.764 27.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.976 39.067 25.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.133 38.202 26.896 1.00 0.00 H new ATOM 813 N GLU A 51 43.711 36.472 22.876 1.00 0.00 N ATOM 814 CA GLU A 51 44.006 35.768 21.644 1.00 0.00 C ATOM 815 C GLU A 51 42.942 36.048 20.581 1.00 0.00 C ATOM 816 O GLU A 51 41.746 36.049 20.865 1.00 0.00 O ATOM 817 CB GLU A 51 44.077 34.266 21.901 1.00 0.00 C ATOM 818 CG GLU A 51 45.320 33.851 22.684 1.00 0.00 C ATOM 819 CD GLU A 51 45.320 32.383 23.113 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.726 31.521 22.429 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.952 32.077 24.147 1.00 0.00 O ATOM 0 H GLU A 51 42.720 36.428 23.115 1.00 0.00 H new ATOM 0 HA GLU A 51 44.969 36.125 21.278 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.188 33.955 22.450 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.063 33.739 20.947 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.203 34.041 22.073 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.405 34.479 23.571 1.00 0.00 H new ATOM 828 N ASP A 52 43.335 36.233 19.325 1.00 0.00 N ATOM 829 CA ASP A 52 42.447 36.510 18.213 1.00 0.00 C ATOM 830 C ASP A 52 41.548 35.349 17.784 1.00 0.00 C ATOM 831 O ASP A 52 40.718 35.518 16.894 1.00 0.00 O ATOM 832 CB ASP A 52 43.257 37.047 17.037 1.00 0.00 C ATOM 833 CG ASP A 52 44.267 36.024 16.513 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.316 35.857 17.173 1.00 0.00 O ATOM 835 OD2 ASP A 52 44.022 35.383 15.468 1.00 0.00 O ATOM 0 H ASP A 52 44.316 36.192 19.049 1.00 0.00 H new ATOM 0 HA ASP A 52 41.746 37.264 18.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 42.580 37.331 16.232 1.00 0.00 H new ATOM 0 HB3 ASP A 52 43.784 37.950 17.344 1.00 0.00 H new ATOM 840 N GLY A 53 41.644 34.195 18.441 1.00 0.00 N ATOM 841 CA GLY A 53 40.687 33.115 18.314 1.00 0.00 C ATOM 842 C GLY A 53 39.307 33.423 18.899 1.00 0.00 C ATOM 843 O GLY A 53 38.416 32.588 18.759 1.00 0.00 O ATOM 0 H GLY A 53 42.406 33.988 19.087 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.574 32.868 17.258 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.088 32.230 18.807 1.00 0.00 H new ATOM 847 N ARG A 54 39.117 34.576 19.535 1.00 0.00 N ATOM 848 CA ARG A 54 37.856 35.091 20.030 1.00 0.00 C ATOM 849 C ARG A 54 37.721 36.599 19.809 1.00 0.00 C ATOM 850 O ARG A 54 38.677 37.277 19.436 1.00 0.00 O ATOM 851 CB ARG A 54 37.703 34.733 21.506 1.00 0.00 C ATOM 852 CG ARG A 54 37.585 33.247 21.832 1.00 0.00 C ATOM 853 CD ARG A 54 36.356 32.569 21.233 1.00 0.00 C ATOM 854 NE ARG A 54 36.245 31.179 21.678 1.00 0.00 N ATOM 855 CZ ARG A 54 36.874 30.104 21.185 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.739 30.161 20.163 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.670 28.888 21.708 1.00 0.00 N ATOM 0 H ARG A 54 39.892 35.211 19.727 1.00 0.00 H new ATOM 0 HA ARG A 54 37.051 34.624 19.462 1.00 0.00 H new ATOM 0 HB2 ARG A 54 38.560 35.135 22.046 1.00 0.00 H new ATOM 0 HB3 ARG A 54 36.818 35.239 21.891 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.479 32.736 21.473 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.561 33.125 22.915 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.459 33.118 21.520 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.414 32.601 20.145 1.00 0.00 H new ATOM 0 HE ARG A 54 35.611 31.008 22.459 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.947 31.056 19.720 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.190 29.309 19.828 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.028 28.771 22.492 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.156 28.079 21.322 1.00 0.00 H new ATOM 871 N THR A 55 36.520 37.127 20.031 1.00 0.00 N ATOM 872 CA THR A 55 36.160 38.521 19.872 1.00 0.00 C ATOM 873 C THR A 55 36.141 39.297 21.191 1.00 0.00 C ATOM 874 O THR A 55 36.060 38.703 22.264 1.00 0.00 O ATOM 875 CB THR A 55 34.812 38.705 19.181 1.00 0.00 C ATOM 876 OG1 THR A 55 33.743 38.254 19.982 1.00 0.00 O ATOM 877 CG2 THR A 55 34.718 37.997 17.832 1.00 0.00 C ATOM 0 H THR A 55 35.734 36.557 20.343 1.00 0.00 H new ATOM 0 HA THR A 55 36.949 38.929 19.240 1.00 0.00 H new ATOM 0 HB THR A 55 34.736 39.780 19.018 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.790 37.279 20.071 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.733 38.170 17.398 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.484 38.388 17.162 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.869 36.927 17.972 1.00 0.00 H new ATOM 885 N LEU A 56 36.140 40.625 21.131 1.00 0.00 N ATOM 886 CA LEU A 56 36.040 41.481 22.296 1.00 0.00 C ATOM 887 C LEU A 56 34.801 41.201 23.149 1.00 0.00 C ATOM 888 O LEU A 56 34.897 41.193 24.374 1.00 0.00 O ATOM 889 CB LEU A 56 36.089 42.944 21.867 1.00 0.00 C ATOM 890 CG LEU A 56 37.363 43.393 21.157 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.262 44.874 20.803 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.622 43.225 22.005 1.00 0.00 C ATOM 0 H LEU A 56 36.210 41.140 20.253 1.00 0.00 H new ATOM 0 HA LEU A 56 36.896 41.257 22.933 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.243 43.137 21.208 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.952 43.566 22.752 1.00 0.00 H new ATOM 0 HG LEU A 56 37.449 42.759 20.274 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.174 45.190 20.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.408 45.033 20.145 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.132 45.458 21.714 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.490 43.563 21.439 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.529 43.817 22.915 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.747 42.174 22.267 1.00 0.00 H new ATOM 904 N SER A 57 33.663 40.897 22.532 1.00 0.00 N ATOM 905 CA SER A 57 32.458 40.482 23.220 1.00 0.00 C ATOM 906 C SER A 57 32.649 39.214 24.055 1.00 0.00 C ATOM 907 O SER A 57 32.116 39.132 25.158 1.00 0.00 O ATOM 908 CB SER A 57 31.317 40.220 22.241 1.00 0.00 C ATOM 909 OG SER A 57 30.878 41.401 21.608 1.00 0.00 O ATOM 0 H SER A 57 33.557 40.935 21.518 1.00 0.00 H new ATOM 0 HA SER A 57 32.215 41.312 23.884 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.645 39.505 21.486 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.482 39.762 22.772 1.00 0.00 H new ATOM 0 HG SER A 57 31.497 41.634 20.885 1.00 0.00 H new ATOM 915 N ASP A 58 33.414 38.241 23.569 1.00 0.00 N ATOM 916 CA ASP A 58 33.658 36.984 24.248 1.00 0.00 C ATOM 917 C ASP A 58 34.518 37.134 25.505 1.00 0.00 C ATOM 918 O ASP A 58 34.397 36.332 26.426 1.00 0.00 O ATOM 919 CB ASP A 58 34.337 35.988 23.313 1.00 0.00 C ATOM 920 CG ASP A 58 33.559 35.718 22.024 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.350 35.410 22.102 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.151 35.823 20.929 1.00 0.00 O ATOM 0 H ASP A 58 33.890 38.312 22.670 1.00 0.00 H new ATOM 0 HA ASP A 58 32.677 36.619 24.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.328 36.363 23.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.480 35.046 23.843 1.00 0.00 H new ATOM 927 N TYR A 59 35.355 38.166 25.561 1.00 0.00 N ATOM 928 CA TYR A 59 36.199 38.493 26.692 1.00 0.00 C ATOM 929 C TYR A 59 35.554 39.420 27.724 1.00 0.00 C ATOM 930 O TYR A 59 36.202 39.752 28.712 1.00 0.00 O ATOM 931 CB TYR A 59 37.528 39.043 26.181 1.00 0.00 C ATOM 932 CG TYR A 59 38.445 38.010 25.569 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.069 37.075 26.404 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.720 38.015 24.197 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.986 36.157 25.877 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.629 37.098 23.656 1.00 0.00 C ATOM 937 CZ TYR A 59 40.276 36.172 24.498 1.00 0.00 C ATOM 938 OH TYR A 59 41.199 35.308 23.989 1.00 0.00 O ATOM 0 H TYR A 59 35.464 38.820 24.786 1.00 0.00 H new ATOM 0 HA TYR A 59 36.366 37.568 27.243 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.325 39.814 25.438 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.048 39.526 27.008 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.842 37.062 27.460 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.229 38.729 23.553 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.469 35.440 26.525 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.834 37.100 22.596 1.00 0.00 H new ATOM 0 HH TYR A 59 41.147 35.313 23.010 1.00 0.00 H new ATOM 948 N ASN A 60 34.294 39.811 27.551 1.00 0.00 N ATOM 949 CA ASN A 60 33.587 40.739 28.411 1.00 0.00 C ATOM 950 C ASN A 60 34.237 42.122 28.496 1.00 0.00 C ATOM 951 O ASN A 60 34.233 42.752 29.551 1.00 0.00 O ATOM 952 CB ASN A 60 33.270 40.115 29.767 1.00 0.00 C ATOM 953 CG ASN A 60 32.382 38.870 29.707 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.753 38.549 28.701 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.284 38.121 30.801 1.00 0.00 N ATOM 0 H ASN A 60 33.721 39.474 26.777 1.00 0.00 H new ATOM 0 HA ASN A 60 32.627 40.937 27.933 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.207 39.853 30.259 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.781 40.863 30.391 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.692 37.291 30.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.801 38.377 31.642 1.00 0.00 H new ATOM 962 N ILE A 61 34.788 42.619 27.393 1.00 0.00 N ATOM 963 CA ILE A 61 35.361 43.947 27.301 1.00 0.00 C ATOM 964 C ILE A 61 34.237 44.956 27.065 1.00 0.00 C ATOM 965 O ILE A 61 33.362 44.734 26.230 1.00 0.00 O ATOM 966 CB ILE A 61 36.464 43.955 26.247 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.636 43.110 26.738 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.942 45.365 25.913 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.692 42.789 25.684 1.00 0.00 C ATOM 0 H ILE A 61 34.847 42.093 26.521 1.00 0.00 H new ATOM 0 HA ILE A 61 35.846 44.246 28.231 1.00 0.00 H new ATOM 0 HB ILE A 61 36.050 43.534 25.331 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.118 43.632 27.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.246 42.173 27.136 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.727 45.314 25.158 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.107 45.951 25.529 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.334 45.839 26.813 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.481 42.185 26.132 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.232 42.236 24.865 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.118 43.717 25.301 1.00 0.00 H new ATOM 981 N GLN A 62 34.251 46.065 27.799 1.00 0.00 N ATOM 982 CA GLN A 62 33.219 47.082 27.819 1.00 0.00 C ATOM 983 C GLN A 62 33.769 48.478 27.522 1.00 0.00 C ATOM 984 O GLN A 62 34.974 48.642 27.350 1.00 0.00 O ATOM 985 CB GLN A 62 32.524 47.042 29.177 1.00 0.00 C ATOM 986 CG GLN A 62 31.737 45.759 29.428 1.00 0.00 C ATOM 987 CD GLN A 62 30.901 45.885 30.704 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.373 45.670 31.818 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.651 46.329 30.616 1.00 0.00 N ATOM 0 H GLN A 62 35.025 46.284 28.426 1.00 0.00 H new ATOM 0 HA GLN A 62 32.502 46.867 27.026 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.272 47.158 29.961 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.847 47.893 29.254 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.086 45.552 28.578 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.422 44.916 29.517 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.239 46.514 29.702 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.104 46.484 31.463 1.00 0.00 H new ATOM 998 N LYS A 63 32.925 49.506 27.504 1.00 0.00 N ATOM 999 CA LYS A 63 33.333 50.889 27.359 1.00 0.00 C ATOM 1000 C LYS A 63 34.407 51.276 28.378 1.00 0.00 C ATOM 1001 O LYS A 63 34.328 50.896 29.545 1.00 0.00 O ATOM 1002 CB LYS A 63 32.117 51.806 27.445 1.00 0.00 C ATOM 1003 CG LYS A 63 32.475 53.281 27.284 1.00 0.00 C ATOM 1004 CD LYS A 63 31.281 54.221 27.145 1.00 0.00 C ATOM 1005 CE LYS A 63 30.421 54.396 28.393 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.165 54.970 29.525 1.00 0.00 N ATOM 0 H LYS A 63 31.915 49.391 27.592 1.00 0.00 H new ATOM 0 HA LYS A 63 33.784 51.009 26.374 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.400 51.525 26.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.624 51.659 28.406 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.066 53.593 28.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.110 53.392 26.405 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.648 55.201 26.840 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.646 53.854 26.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.574 55.040 28.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.013 53.428 28.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.486 54.206 30.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.989 55.494 29.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.546 55.617 30.055 1.00 0.00 H new ATOM 1020 N GLU A 64 35.403 52.031 27.921 1.00 0.00 N ATOM 1021 CA GLU A 64 36.497 52.574 28.702 1.00 0.00 C ATOM 1022 C GLU A 64 37.369 51.517 29.382 1.00 0.00 C ATOM 1023 O GLU A 64 38.059 51.797 30.361 1.00 0.00 O ATOM 1024 CB GLU A 64 35.998 53.691 29.613 1.00 0.00 C ATOM 1025 CG GLU A 64 35.666 54.950 28.817 1.00 0.00 C ATOM 1026 CD GLU A 64 34.797 55.917 29.623 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.262 56.449 30.653 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.645 56.165 29.203 1.00 0.00 O ATOM 0 H GLU A 64 35.466 52.292 26.937 1.00 0.00 H new ATOM 0 HA GLU A 64 37.202 53.033 28.009 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.112 53.355 30.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.758 53.920 30.360 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.590 55.449 28.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.147 54.674 27.899 1.00 0.00 H new ATOM 1035 N SER A 65 37.375 50.293 28.860 1.00 0.00 N ATOM 1036 CA SER A 65 38.227 49.237 29.369 1.00 0.00 C ATOM 1037 C SER A 65 39.710 49.566 29.191 1.00 0.00 C ATOM 1038 O SER A 65 40.132 49.948 28.101 1.00 0.00 O ATOM 1039 CB SER A 65 37.945 47.894 28.703 1.00 0.00 C ATOM 1040 OG SER A 65 36.634 47.469 29.002 1.00 0.00 O ATOM 0 H SER A 65 36.789 50.012 28.074 1.00 0.00 H new ATOM 0 HA SER A 65 37.996 49.163 30.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.070 47.982 27.624 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.664 47.151 29.048 1.00 0.00 H new ATOM 0 HG SER A 65 35.989 48.076 28.581 1.00 0.00 H new ATOM 1046 N THR A 66 40.503 49.366 30.239 1.00 0.00 N ATOM 1047 CA THR A 66 41.943 49.516 30.200 1.00 0.00 C ATOM 1048 C THR A 66 42.592 48.172 29.861 1.00 0.00 C ATOM 1049 O THR A 66 42.417 47.196 30.587 1.00 0.00 O ATOM 1050 CB THR A 66 42.488 50.074 31.512 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.979 51.373 31.719 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.006 50.228 31.498 1.00 0.00 C ATOM 0 H THR A 66 40.150 49.090 31.155 1.00 0.00 H new ATOM 0 HA THR A 66 42.192 50.237 29.422 1.00 0.00 H new ATOM 0 HB THR A 66 42.190 49.369 32.288 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.328 51.730 32.562 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.340 50.628 32.455 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.469 49.256 31.330 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.295 50.910 30.699 1.00 0.00 H new ATOM 1060 N LEU A 67 43.342 48.130 28.763 1.00 0.00 N ATOM 1061 CA LEU A 67 44.136 46.999 28.325 1.00 0.00 C ATOM 1062 C LEU A 67 45.621 47.328 28.478 1.00 0.00 C ATOM 1063 O LEU A 67 46.060 48.450 28.231 1.00 0.00 O ATOM 1064 CB LEU A 67 43.794 46.621 26.886 1.00 0.00 C ATOM 1065 CG LEU A 67 42.572 45.722 26.715 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.244 46.393 27.053 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.496 45.236 25.271 1.00 0.00 C ATOM 0 H LEU A 67 43.412 48.925 28.128 1.00 0.00 H new ATOM 0 HA LEU A 67 43.905 46.136 28.949 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.632 47.537 26.317 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.656 46.120 26.446 1.00 0.00 H new ATOM 0 HG LEU A 67 42.710 44.904 27.422 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.430 45.684 26.904 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.255 46.719 28.093 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.097 47.256 26.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.624 44.594 25.149 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.413 46.093 24.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.397 44.673 25.029 1.00 0.00 H new ATOM 1079 N HIS A 68 46.416 46.330 28.855 1.00 0.00 N ATOM 1080 CA HIS A 68 47.847 46.453 29.044 1.00 0.00 C ATOM 1081 C HIS A 68 48.564 45.874 27.823 1.00 0.00 C ATOM 1082 O HIS A 68 48.385 44.701 27.503 1.00 0.00 O ATOM 1083 CB HIS A 68 48.265 45.761 30.339 1.00 0.00 C ATOM 1084 CG HIS A 68 47.760 46.385 31.611 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.569 46.731 32.693 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.457 46.644 31.949 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.757 47.219 33.634 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.480 47.186 33.220 1.00 0.00 N ATOM 0 H HIS A 68 46.067 45.390 29.041 1.00 0.00 H new ATOM 0 HA HIS A 68 48.128 47.502 29.136 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.921 44.727 30.303 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.354 45.733 30.378 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.583 46.460 31.341 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.082 47.589 34.595 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.669 47.505 33.751 1.00 0.00 H new ATOM 1096 N LEU A 69 49.361 46.693 27.142 1.00 0.00 N ATOM 1097 CA LEU A 69 50.219 46.270 26.055 1.00 0.00 C ATOM 1098 C LEU A 69 51.561 45.771 26.595 1.00 0.00 C ATOM 1099 O LEU A 69 52.279 46.510 27.265 1.00 0.00 O ATOM 1100 CB LEU A 69 50.397 47.425 25.074 1.00 0.00 C ATOM 1101 CG LEU A 69 51.274 47.122 23.862 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.670 46.056 22.952 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.466 48.396 23.044 1.00 0.00 C ATOM 0 H LEU A 69 49.425 47.691 27.341 1.00 0.00 H new ATOM 0 HA LEU A 69 49.757 45.437 25.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.413 47.736 24.722 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.826 48.272 25.609 1.00 0.00 H new ATOM 0 HG LEU A 69 52.224 46.746 24.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.335 45.880 22.107 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.542 45.130 23.512 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.701 46.396 22.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.092 48.181 22.178 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.496 48.763 22.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.947 49.155 23.661 1.00 0.00 H new ATOM 1115 N VAL A 70 51.922 44.543 26.237 1.00 0.00 N ATOM 1116 CA VAL A 70 53.215 43.936 26.480 1.00 0.00 C ATOM 1117 C VAL A 70 53.875 43.645 25.130 1.00 0.00 C ATOM 1118 O VAL A 70 53.188 43.465 24.127 1.00 0.00 O ATOM 1119 CB VAL A 70 53.054 42.697 27.355 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.368 41.967 27.621 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.465 43.058 28.715 1.00 0.00 C ATOM 0 H VAL A 70 51.284 43.917 25.745 1.00 0.00 H new ATOM 0 HA VAL A 70 53.870 44.611 27.031 1.00 0.00 H new ATOM 0 HB VAL A 70 52.389 42.043 26.791 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.180 41.096 28.249 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.803 41.645 26.675 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.061 42.638 28.129 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.361 42.156 29.318 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.126 43.760 29.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.486 43.517 28.577 1.00 0.00 H new ATOM 1131 N LEU A 71 55.203 43.598 25.079 1.00 0.00 N ATOM 1132 CA LEU A 71 55.958 43.192 23.911 1.00 0.00 C ATOM 1133 C LEU A 71 57.031 42.154 24.247 1.00 0.00 C ATOM 1134 O LEU A 71 57.691 42.250 25.279 1.00 0.00 O ATOM 1135 CB LEU A 71 56.471 44.402 23.136 1.00 0.00 C ATOM 1136 CG LEU A 71 57.657 45.178 23.699 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.983 46.311 22.730 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.398 45.810 25.064 1.00 0.00 C ATOM 0 H LEU A 71 55.793 43.849 25.872 1.00 0.00 H new ATOM 0 HA LEU A 71 55.281 42.674 23.232 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.741 44.065 22.135 1.00 0.00 H new ATOM 0 HB3 LEU A 71 55.641 45.100 23.024 1.00 0.00 H new ATOM 0 HG LEU A 71 58.469 44.461 23.821 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.830 46.883 23.110 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.235 45.894 21.755 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.117 46.966 22.632 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.290 46.343 25.393 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.565 46.509 24.989 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.154 45.030 25.786 1.00 0.00 H new ATOM 1150 N ARG A 72 57.177 41.154 23.382 1.00 0.00 N ATOM 1151 CA ARG A 72 58.055 40.018 23.580 1.00 0.00 C ATOM 1152 C ARG A 72 59.493 40.308 23.144 1.00 0.00 C ATOM 1153 O ARG A 72 59.762 40.562 21.972 1.00 0.00 O ATOM 1154 CB ARG A 72 57.519 38.786 22.857 1.00 0.00 C ATOM 1155 CG ARG A 72 56.188 38.295 23.421 1.00 0.00 C ATOM 1156 CD ARG A 72 55.775 36.946 22.839 1.00 0.00 C ATOM 1157 NE ARG A 72 56.667 35.868 23.265 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.567 35.211 22.520 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.876 35.536 21.258 1.00 0.00 N ATOM 1160 NH2 ARG A 72 58.224 34.169 23.046 1.00 0.00 N ATOM 0 H ARG A 72 56.669 41.116 22.498 1.00 0.00 H new ATOM 0 HA ARG A 72 58.076 39.820 24.652 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.396 39.017 21.799 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.254 37.984 22.924 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.264 38.213 24.505 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.413 39.032 23.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 54.755 36.715 23.147 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.773 37.006 21.751 1.00 0.00 H new ATOM 0 HE ARG A 72 56.596 35.583 24.242 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.416 36.327 20.808 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.572 34.993 20.747 1.00 0.00 H new ATOM 0 HH21 ARG A 72 58.038 33.881 24.007 1.00 0.00 H new ATOM 0 HH22 ARG A 72 58.910 33.664 22.486 1.00 0.00 H new ATOM 1174 N LEU A 73 60.428 40.209 24.084 1.00 0.00 N ATOM 1175 CA LEU A 73 61.830 40.525 23.901 1.00 0.00 C ATOM 1176 C LEU A 73 62.655 39.309 23.473 1.00 0.00 C ATOM 1177 O LEU A 73 63.693 39.007 24.057 1.00 0.00 O ATOM 1178 CB LEU A 73 62.361 41.234 25.144 1.00 0.00 C ATOM 1179 CG LEU A 73 61.562 42.452 25.597 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.246 43.060 26.819 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.452 43.538 24.529 1.00 0.00 C ATOM 0 H LEU A 73 60.215 39.893 25.030 1.00 0.00 H new ATOM 0 HA LEU A 73 61.932 41.218 23.066 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.393 40.517 25.964 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.388 41.546 24.952 1.00 0.00 H new ATOM 0 HG LEU A 73 60.553 42.103 25.817 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.685 43.932 27.154 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.282 42.322 27.621 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.260 43.360 26.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.871 44.374 24.919 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.449 43.884 24.258 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.957 43.132 23.647 1.00 0.00 H new ATOM 1193 N ARG A 74 62.183 38.605 22.448 1.00 0.00 N ATOM 1194 CA ARG A 74 62.784 37.432 21.847 1.00 0.00 C ATOM 1195 C ARG A 74 62.789 37.562 20.322 1.00 0.00 C ATOM 1196 O ARG A 74 61.846 38.096 19.744 1.00 0.00 O ATOM 1197 CB ARG A 74 62.045 36.173 22.294 1.00 0.00 C ATOM 1198 CG ARG A 74 62.369 35.803 23.738 1.00 0.00 C ATOM 1199 CD ARG A 74 61.528 34.625 24.221 1.00 0.00 C ATOM 1200 NE ARG A 74 62.082 34.036 25.440 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.113 34.585 26.662 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.470 35.713 26.992 1.00 0.00 N ATOM 1203 NH2 ARG A 74 62.834 34.004 27.631 1.00 0.00 N ATOM 0 H ARG A 74 61.310 38.862 21.988 1.00 0.00 H new ATOM 0 HA ARG A 74 63.819 37.351 22.180 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.971 36.327 22.192 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.312 35.344 21.639 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.427 35.553 23.821 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.193 36.664 24.383 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.507 34.958 24.408 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.478 33.867 23.439 1.00 0.00 H new ATOM 0 HE ARG A 74 62.489 33.105 25.350 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.915 36.207 26.293 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.535 36.078 27.942 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.355 33.149 27.436 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.862 34.417 28.563 1.00 0.00 H new ATOM 1217 N GLY A 75 63.853 37.092 19.676 1.00 0.00 N ATOM 1218 CA GLY A 75 64.075 37.250 18.253 1.00 0.00 C ATOM 1219 C GLY A 75 64.428 38.680 17.839 1.00 0.00 C ATOM 1220 O GLY A 75 64.760 39.519 18.674 1.00 0.00 O ATOM 0 H GLY A 75 64.599 36.579 20.145 1.00 0.00 H new ATOM 0 HA2 GLY A 75 64.880 36.583 17.944 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.178 36.937 17.718 1.00 0.00 H new ATOM 1224 N GLY A 76 64.352 38.961 16.541 1.00 0.00 N ATOM 1225 CA GLY A 76 64.583 40.264 15.951 1.00 0.00 C ATOM 1226 C GLY A 76 66.065 40.599 15.771 1.00 0.00 C ATOM 1227 O GLY A 76 66.514 41.643 16.292 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.770 39.806 15.109 1.00 0.00 O ATOM 0 H GLY A 76 64.117 38.252 15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.089 40.307 14.981 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.120 41.025 16.579 1.00 0.00 H new TER 1232 GLY A 76