USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 723 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 28 THR OG1 : rot 97:sc= -1.8! USER MOD Set 1.2: A 42 SER OG : rot 12:sc= -0.558! USER MOD Single : A 5 GLN : amide:sc= -0.0505 X(o=-0.05,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 84:sc= -0.875 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -0.316 (180deg=-1.29!) USER MOD Single : A 21 THR OG1 : rot -73:sc= 0.559 USER MOD Single : A 23 THR OG1 : rot -110:sc= -7.6! USER MOD Single : A 29 TYR OH : rot 165:sc= -0.184 USER MOD Single : A 30 LYS NZ :NH3+ -93:sc= -0.0106 (180deg=-0.193) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -21.5! C(o=-22!,f=-19!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 15:sc= -5.51! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -136:sc= -7.48! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-6.3!) USER MOD Single : A 51 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.43) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -1.5! (180deg=-1.68!) USER MOD Single : A 63 MET CE :methyl 129:sc= -9.02! (180deg=-10.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 5 7.056 15.692 -3.218 1.00 0.00 N ATOM 2 CA GLN A 5 7.860 15.059 -2.134 1.00 0.00 C ATOM 3 C GLN A 5 6.976 14.832 -0.906 1.00 0.00 C ATOM 4 O GLN A 5 6.419 15.759 -0.351 1.00 0.00 O ATOM 5 CB GLN A 5 9.024 15.982 -1.766 1.00 0.00 C ATOM 6 CG GLN A 5 8.477 17.343 -1.327 1.00 0.00 C ATOM 7 CD GLN A 5 8.973 18.431 -2.282 1.00 0.00 C ATOM 8 OE1 GLN A 5 8.183 19.121 -2.896 1.00 0.00 O ATOM 9 NE2 GLN A 5 10.255 18.617 -2.433 1.00 0.00 N ATOM 0 HA GLN A 5 8.249 14.101 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.614 15.539 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.690 16.104 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.387 17.322 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.799 17.564 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.918 18.038 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.594 19.341 -3.066 1.00 0.00 H new ATOM 20 N ARG A 6 6.839 13.608 -0.474 1.00 0.00 N ATOM 21 CA ARG A 6 5.988 13.340 0.720 1.00 0.00 C ATOM 22 C ARG A 6 6.043 11.852 1.083 1.00 0.00 C ATOM 23 O ARG A 6 6.880 11.432 1.853 1.00 0.00 O ATOM 24 CB ARG A 6 4.542 13.742 0.417 1.00 0.00 C ATOM 25 CG ARG A 6 4.201 15.034 1.164 1.00 0.00 C ATOM 26 CD ARG A 6 2.840 14.879 1.843 1.00 0.00 C ATOM 27 NE ARG A 6 2.589 16.046 2.733 1.00 0.00 N ATOM 28 CZ ARG A 6 1.386 16.275 3.186 1.00 0.00 C ATOM 29 NH1 ARG A 6 0.401 15.481 2.861 1.00 0.00 N ATOM 30 NH2 ARG A 6 1.168 17.296 3.968 1.00 0.00 N ATOM 0 H ARG A 6 7.276 12.787 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 6 6.361 13.924 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.411 13.885 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.862 12.945 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.968 15.252 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.181 15.875 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.054 14.806 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.814 13.956 2.422 1.00 0.00 H new ATOM 0 HE ARG A 6 3.357 16.667 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.571 14.680 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.538 15.662 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.937 17.915 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.229 17.476 4.322 1.00 0.00 H new ATOM 44 N LYS A 7 5.145 11.060 0.548 1.00 0.00 N ATOM 45 CA LYS A 7 5.121 9.601 0.878 1.00 0.00 C ATOM 46 C LYS A 7 3.759 9.034 0.445 1.00 0.00 C ATOM 47 O LYS A 7 3.198 9.483 -0.528 1.00 0.00 O ATOM 48 CB LYS A 7 5.291 9.439 2.397 1.00 0.00 C ATOM 49 CG LYS A 7 4.294 10.342 3.121 1.00 0.00 C ATOM 50 CD LYS A 7 4.215 9.941 4.593 1.00 0.00 C ATOM 51 CE LYS A 7 2.749 9.782 4.996 1.00 0.00 C ATOM 52 NZ LYS A 7 2.322 8.375 4.760 1.00 0.00 N ATOM 0 H LYS A 7 4.424 11.364 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 7 5.923 9.071 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.130 8.399 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.309 9.696 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.602 11.384 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.311 10.260 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.752 9.007 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.695 10.698 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.619 10.042 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.125 10.465 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.325 8.264 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.432 8.143 3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.910 7.734 5.329 1.00 0.00 H new ATOM 66 N VAL A 8 3.222 8.096 1.202 1.00 0.00 N ATOM 67 CA VAL A 8 1.870 7.514 0.932 1.00 0.00 C ATOM 68 C VAL A 8 1.860 6.081 0.410 1.00 0.00 C ATOM 69 O VAL A 8 1.956 5.836 -0.773 1.00 0.00 O ATOM 70 CB VAL A 8 1.034 8.400 0.000 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.348 7.773 -0.186 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.873 9.794 0.616 1.00 0.00 C ATOM 0 H VAL A 8 3.685 7.702 2.021 1.00 0.00 H new ATOM 0 HA VAL A 8 1.417 7.479 1.923 1.00 0.00 H new ATOM 0 HB VAL A 8 1.537 8.485 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.946 8.400 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.241 6.781 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.844 7.691 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.278 10.420 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.371 9.710 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.855 10.245 0.757 1.00 0.00 H new ATOM 82 N TYR A 9 1.655 5.147 1.323 1.00 0.00 N ATOM 83 CA TYR A 9 1.514 3.703 0.991 1.00 0.00 C ATOM 84 C TYR A 9 2.054 2.861 2.161 1.00 0.00 C ATOM 85 O TYR A 9 2.206 3.323 3.275 1.00 0.00 O ATOM 86 CB TYR A 9 2.179 3.326 -0.348 1.00 0.00 C ATOM 87 CG TYR A 9 1.224 3.526 -1.499 1.00 0.00 C ATOM 88 CD1 TYR A 9 0.049 4.256 -1.318 1.00 0.00 C ATOM 89 CD2 TYR A 9 1.536 2.994 -2.756 1.00 0.00 C ATOM 90 CE1 TYR A 9 -0.829 4.452 -2.393 1.00 0.00 C ATOM 91 CE2 TYR A 9 0.662 3.193 -3.837 1.00 0.00 C ATOM 92 CZ TYR A 9 -0.522 3.921 -3.654 1.00 0.00 C ATOM 93 OH TYR A 9 -1.381 4.117 -4.717 1.00 0.00 O ATOM 0 H TYR A 9 1.579 5.348 2.320 1.00 0.00 H new ATOM 0 HA TYR A 9 0.455 3.487 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.070 3.935 -0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.505 2.286 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.184 4.671 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.448 2.431 -2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.742 5.012 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.902 2.786 -4.808 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.016 3.684 -5.517 1.00 0.00 H new ATOM 103 N VAL A 10 2.365 1.642 1.908 1.00 0.00 N ATOM 104 CA VAL A 10 2.837 0.700 2.949 1.00 0.00 C ATOM 105 C VAL A 10 2.554 -0.685 2.444 1.00 0.00 C ATOM 106 O VAL A 10 1.648 -0.904 1.731 1.00 0.00 O ATOM 107 CB VAL A 10 2.152 0.927 4.357 1.00 0.00 C ATOM 108 CG1 VAL A 10 0.794 1.622 4.264 1.00 0.00 C ATOM 109 CG2 VAL A 10 1.898 -0.410 5.085 1.00 0.00 C ATOM 0 H VAL A 10 2.311 1.232 0.976 1.00 0.00 H new ATOM 0 HA VAL A 10 3.902 0.862 3.118 1.00 0.00 H new ATOM 0 HB VAL A 10 2.856 1.557 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.380 1.747 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.917 2.600 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.116 1.016 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.427 -0.216 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.242 -1.035 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.846 -0.925 5.242 1.00 0.00 H new ATOM 119 N GLY A 11 3.450 -1.573 2.719 1.00 0.00 N ATOM 120 CA GLY A 11 3.394 -2.934 2.198 1.00 0.00 C ATOM 121 C GLY A 11 2.319 -3.800 2.793 1.00 0.00 C ATOM 122 O GLY A 11 2.585 -4.953 3.052 1.00 0.00 O ATOM 0 H GLY A 11 4.257 -1.391 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.246 -2.888 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.359 -3.411 2.367 1.00 0.00 H new ATOM 126 N ARG A 12 1.081 -3.381 2.917 1.00 0.00 N ATOM 127 CA ARG A 12 0.133 -4.376 3.376 1.00 0.00 C ATOM 128 C ARG A 12 0.173 -5.350 2.297 1.00 0.00 C ATOM 129 O ARG A 12 0.133 -5.010 1.131 1.00 0.00 O ATOM 130 CB ARG A 12 -1.288 -3.856 3.634 1.00 0.00 C ATOM 131 CG ARG A 12 -1.854 -4.553 4.875 1.00 0.00 C ATOM 132 CD ARG A 12 -3.344 -4.234 5.017 1.00 0.00 C ATOM 133 NE ARG A 12 -4.082 -5.466 5.419 1.00 0.00 N ATOM 134 CZ ARG A 12 -5.294 -5.378 5.900 1.00 0.00 C ATOM 135 NH1 ARG A 12 -5.855 -4.207 6.056 1.00 0.00 N ATOM 136 NH2 ARG A 12 -5.944 -6.459 6.235 1.00 0.00 N ATOM 0 H ARG A 12 0.724 -2.444 2.727 1.00 0.00 H new ATOM 0 HA ARG A 12 0.402 -4.768 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.273 -2.776 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.923 -4.050 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.710 -5.630 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.316 -4.224 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.490 -3.451 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.737 -3.854 4.074 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.640 -6.380 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.347 -3.360 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.801 -4.141 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.506 -7.373 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.890 -6.390 6.610 1.00 0.00 H new ATOM 150 N VAL A 13 0.327 -6.529 2.750 1.00 0.00 N ATOM 151 CA VAL A 13 0.427 -7.732 1.965 1.00 0.00 C ATOM 152 C VAL A 13 1.712 -7.997 1.178 1.00 0.00 C ATOM 153 O VAL A 13 2.419 -8.916 1.522 1.00 0.00 O ATOM 154 CB VAL A 13 -0.820 -7.952 1.168 1.00 0.00 C ATOM 155 CG1 VAL A 13 -1.918 -8.228 2.182 1.00 0.00 C ATOM 156 CG2 VAL A 13 -1.227 -6.719 0.361 1.00 0.00 C ATOM 0 H VAL A 13 0.394 -6.713 3.751 1.00 0.00 H new ATOM 0 HA VAL A 13 0.522 -8.510 2.723 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.657 -8.765 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.860 -8.398 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.661 -9.112 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.021 -7.372 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.138 -6.934 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.406 -5.884 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.428 -6.459 -0.333 1.00 0.00 H new ATOM 166 N VAL A 14 2.003 -7.315 0.113 1.00 0.00 N ATOM 167 CA VAL A 14 3.223 -7.636 -0.670 1.00 0.00 C ATOM 168 C VAL A 14 2.810 -8.569 -1.799 1.00 0.00 C ATOM 169 O VAL A 14 3.606 -9.154 -2.497 1.00 0.00 O ATOM 170 CB VAL A 14 4.332 -8.240 0.178 1.00 0.00 C ATOM 171 CG1 VAL A 14 5.658 -8.090 -0.568 1.00 0.00 C ATOM 172 CG2 VAL A 14 4.396 -7.461 1.479 1.00 0.00 C ATOM 0 H VAL A 14 1.445 -6.543 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 14 3.646 -6.714 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 14 4.143 -9.295 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.462 -8.519 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.599 -8.610 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.860 -7.033 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.184 -7.871 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.610 -6.414 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.440 -7.538 1.996 1.00 0.00 H new ATOM 182 N SER A 15 1.537 -8.687 -1.956 1.00 0.00 N ATOM 183 CA SER A 15 0.938 -9.574 -2.986 1.00 0.00 C ATOM 184 C SER A 15 -0.469 -9.959 -2.516 1.00 0.00 C ATOM 185 O SER A 15 -1.429 -9.839 -3.245 1.00 0.00 O ATOM 186 CB SER A 15 1.777 -10.837 -3.147 1.00 0.00 C ATOM 187 OG SER A 15 2.092 -11.358 -1.864 1.00 0.00 O ATOM 0 H SER A 15 0.851 -8.186 -1.391 1.00 0.00 H new ATOM 0 HA SER A 15 0.900 -9.057 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.230 -11.579 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.692 -10.612 -3.696 1.00 0.00 H new ATOM 0 HG SER A 15 1.349 -11.911 -1.544 1.00 0.00 H new ATOM 193 N ASP A 16 -0.576 -10.412 -1.293 1.00 0.00 N ATOM 194 CA ASP A 16 -1.897 -10.794 -0.707 1.00 0.00 C ATOM 195 C ASP A 16 -2.051 -12.316 -0.847 1.00 0.00 C ATOM 196 O ASP A 16 -2.729 -12.826 -1.710 1.00 0.00 O ATOM 197 CB ASP A 16 -3.049 -9.966 -1.334 1.00 0.00 C ATOM 198 CG ASP A 16 -3.834 -10.747 -2.390 1.00 0.00 C ATOM 199 OD1 ASP A 16 -4.633 -11.586 -2.012 1.00 0.00 O ATOM 200 OD2 ASP A 16 -3.641 -10.472 -3.560 1.00 0.00 O ATOM 0 H ASP A 16 0.215 -10.536 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.946 -10.553 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.730 -9.644 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.637 -9.064 -1.787 1.00 0.00 H new ATOM 205 N LYS A 17 -1.343 -13.032 -0.013 1.00 0.00 N ATOM 206 CA LYS A 17 -1.328 -14.522 -0.050 1.00 0.00 C ATOM 207 C LYS A 17 -0.185 -14.957 -0.967 1.00 0.00 C ATOM 208 O LYS A 17 0.278 -16.078 -0.903 1.00 0.00 O ATOM 209 CB LYS A 17 -2.667 -15.080 -0.556 1.00 0.00 C ATOM 210 CG LYS A 17 -3.809 -14.465 0.259 1.00 0.00 C ATOM 211 CD LYS A 17 -4.932 -14.008 -0.674 1.00 0.00 C ATOM 212 CE LYS A 17 -6.215 -14.778 -0.351 1.00 0.00 C ATOM 213 NZ LYS A 17 -6.973 -15.029 -1.609 1.00 0.00 N ATOM 0 H LYS A 17 -0.755 -12.629 0.717 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.179 -14.913 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.794 -14.850 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.681 -16.166 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.192 -15.195 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.439 -13.619 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.100 -12.937 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.647 -14.177 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.972 -15.723 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.828 -14.209 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.845 -15.552 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.216 -14.121 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.388 -15.589 -2.261 1.00 0.00 H new ATOM 227 N MET A 18 0.276 -14.060 -1.809 1.00 0.00 N ATOM 228 CA MET A 18 1.403 -14.373 -2.739 1.00 0.00 C ATOM 229 C MET A 18 0.843 -15.008 -3.992 1.00 0.00 C ATOM 230 O MET A 18 0.953 -14.475 -5.079 1.00 0.00 O ATOM 231 CB MET A 18 2.388 -15.340 -2.105 1.00 0.00 C ATOM 232 CG MET A 18 3.661 -15.365 -2.947 1.00 0.00 C ATOM 233 SD MET A 18 4.911 -16.393 -2.136 1.00 0.00 S ATOM 234 CE MET A 18 5.224 -17.514 -3.520 1.00 0.00 C ATOM 0 H MET A 18 -0.089 -13.111 -1.890 1.00 0.00 H new ATOM 0 HA MET A 18 1.925 -13.444 -2.970 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.616 -15.032 -1.085 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.954 -16.338 -2.047 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.443 -15.757 -3.941 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.040 -14.352 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.979 -18.245 -3.232 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.302 -18.030 -3.786 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.580 -16.943 -4.377 1.00 0.00 H new ATOM 244 N ASP A 19 0.220 -16.147 -3.849 1.00 0.00 N ATOM 245 CA ASP A 19 -0.365 -16.808 -5.036 1.00 0.00 C ATOM 246 C ASP A 19 -1.152 -15.774 -5.810 1.00 0.00 C ATOM 247 O ASP A 19 -1.391 -15.904 -6.994 1.00 0.00 O ATOM 248 CB ASP A 19 -1.277 -17.958 -4.607 1.00 0.00 C ATOM 249 CG ASP A 19 -0.527 -19.283 -4.759 1.00 0.00 C ATOM 250 OD1 ASP A 19 0.596 -19.363 -4.287 1.00 0.00 O ATOM 251 OD2 ASP A 19 -1.086 -20.193 -5.346 1.00 0.00 O ATOM 0 H ASP A 19 0.095 -16.641 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 19 0.425 -17.223 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.591 -17.821 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.181 -17.967 -5.216 1.00 0.00 H new ATOM 256 N LYS A 20 -1.542 -14.735 -5.145 1.00 0.00 N ATOM 257 CA LYS A 20 -2.299 -13.667 -5.830 1.00 0.00 C ATOM 258 C LYS A 20 -1.321 -12.692 -6.497 1.00 0.00 C ATOM 259 O LYS A 20 -1.467 -12.392 -7.660 1.00 0.00 O ATOM 260 CB LYS A 20 -3.156 -12.914 -4.813 1.00 0.00 C ATOM 261 CG LYS A 20 -4.637 -13.163 -5.101 1.00 0.00 C ATOM 262 CD LYS A 20 -5.100 -12.242 -6.232 1.00 0.00 C ATOM 263 CE LYS A 20 -6.539 -12.587 -6.618 1.00 0.00 C ATOM 264 NZ LYS A 20 -6.681 -14.064 -6.747 1.00 0.00 N ATOM 0 H LYS A 20 -1.369 -14.578 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.943 -14.111 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.912 -13.243 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.941 -11.847 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.794 -14.205 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.228 -12.980 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.037 -11.201 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.445 -12.352 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.229 -12.210 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.800 -12.103 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.511 -14.283 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.828 -14.457 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.803 -14.485 -5.804 1.00 0.00 H new ATOM 278 N THR A 21 -0.354 -12.174 -5.749 1.00 0.00 N ATOM 279 CA THR A 21 0.640 -11.183 -6.305 1.00 0.00 C ATOM 280 C THR A 21 0.133 -9.800 -5.915 1.00 0.00 C ATOM 281 O THR A 21 -1.015 -9.680 -5.556 1.00 0.00 O ATOM 282 CB THR A 21 0.800 -11.274 -7.832 1.00 0.00 C ATOM 283 OG1 THR A 21 -0.310 -10.661 -8.475 1.00 0.00 O ATOM 284 CG2 THR A 21 0.923 -12.738 -8.263 1.00 0.00 C ATOM 0 H THR A 21 -0.214 -12.402 -4.765 1.00 0.00 H new ATOM 0 HA THR A 21 1.627 -11.397 -5.895 1.00 0.00 H new ATOM 0 HB THR A 21 1.709 -10.748 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.100 -11.233 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.036 -12.790 -9.346 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.794 -13.186 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.026 -13.282 -7.965 1.00 0.00 H new ATOM 292 N ILE A 22 0.943 -8.762 -6.019 1.00 0.00 N ATOM 293 CA ILE A 22 0.477 -7.376 -5.665 1.00 0.00 C ATOM 294 C ILE A 22 1.646 -6.504 -5.253 1.00 0.00 C ATOM 295 O ILE A 22 1.821 -5.449 -5.787 1.00 0.00 O ATOM 296 CB ILE A 22 -0.646 -7.364 -4.591 1.00 0.00 C ATOM 297 CG1 ILE A 22 -1.678 -6.313 -5.000 1.00 0.00 C ATOM 298 CG2 ILE A 22 -0.140 -7.039 -3.179 1.00 0.00 C ATOM 299 CD1 ILE A 22 -2.554 -5.972 -3.800 1.00 0.00 C ATOM 0 H ILE A 22 1.911 -8.818 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 22 0.032 -6.957 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.070 -8.367 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.176 -5.417 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.292 -6.689 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.977 -7.048 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.594 -7.785 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.323 -6.052 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.291 -5.223 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.066 -6.871 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.932 -5.578 -2.996 1.00 0.00 H new ATOM 311 N THR A 23 2.431 -6.926 -4.327 1.00 0.00 N ATOM 312 CA THR A 23 3.618 -6.110 -3.887 1.00 0.00 C ATOM 313 C THR A 23 3.293 -5.358 -2.619 1.00 0.00 C ATOM 314 O THR A 23 4.154 -5.023 -1.841 1.00 0.00 O ATOM 315 CB THR A 23 4.027 -5.101 -4.934 1.00 0.00 C ATOM 316 OG1 THR A 23 4.088 -5.728 -6.209 1.00 0.00 O ATOM 317 CG2 THR A 23 5.390 -4.505 -4.577 1.00 0.00 C ATOM 0 H THR A 23 2.317 -7.813 -3.836 1.00 0.00 H new ATOM 0 HA THR A 23 4.438 -6.809 -3.724 1.00 0.00 H new ATOM 0 HB THR A 23 3.289 -4.300 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.022 -5.793 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.679 -3.778 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.329 -4.012 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.135 -5.300 -4.533 1.00 0.00 H new ATOM 325 N VAL A 24 2.062 -5.088 -2.395 1.00 0.00 N ATOM 326 CA VAL A 24 1.674 -4.327 -1.201 1.00 0.00 C ATOM 327 C VAL A 24 0.280 -3.762 -1.484 1.00 0.00 C ATOM 328 O VAL A 24 -0.359 -4.152 -2.434 1.00 0.00 O ATOM 329 CB VAL A 24 2.752 -3.208 -0.934 1.00 0.00 C ATOM 330 CG1 VAL A 24 3.376 -2.603 -2.205 1.00 0.00 C ATOM 331 CG2 VAL A 24 2.166 -2.061 -0.143 1.00 0.00 C ATOM 0 H VAL A 24 1.289 -5.366 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 24 1.633 -4.937 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 24 3.534 -3.727 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.105 -1.843 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.871 -3.388 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.594 -2.149 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.933 -1.305 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.339 -1.620 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.803 -2.429 0.817 1.00 0.00 H new ATOM 341 N LEU A 25 -0.247 -2.981 -0.614 1.00 0.00 N ATOM 342 CA LEU A 25 -1.656 -2.556 -0.715 1.00 0.00 C ATOM 343 C LEU A 25 -1.957 -2.043 0.656 1.00 0.00 C ATOM 344 O LEU A 25 -1.357 -2.504 1.586 1.00 0.00 O ATOM 345 CB LEU A 25 -2.519 -3.815 -1.031 1.00 0.00 C ATOM 346 CG LEU A 25 -3.349 -4.297 0.183 1.00 0.00 C ATOM 347 CD1 LEU A 25 -4.456 -3.298 0.533 1.00 0.00 C ATOM 348 CD2 LEU A 25 -3.993 -5.640 -0.166 1.00 0.00 C ATOM 0 H LEU A 25 0.252 -2.604 0.192 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.853 -1.813 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.192 -3.590 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.866 -4.623 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.684 -4.391 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.021 -3.666 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.011 -2.334 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.125 -3.183 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.582 -5.992 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.642 -5.518 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.215 -6.368 -0.395 1.00 0.00 H new ATOM 360 N VAL A 26 -2.814 -1.047 0.778 1.00 0.00 N ATOM 361 CA VAL A 26 -3.045 -0.387 2.117 1.00 0.00 C ATOM 362 C VAL A 26 -3.782 0.963 1.904 1.00 0.00 C ATOM 363 O VAL A 26 -4.419 1.175 0.893 1.00 0.00 O ATOM 364 CB VAL A 26 -1.713 0.101 2.786 1.00 0.00 C ATOM 365 CG1 VAL A 26 -1.859 0.027 4.284 1.00 0.00 C ATOM 366 CG2 VAL A 26 -0.450 -0.653 2.430 1.00 0.00 C ATOM 0 H VAL A 26 -3.364 -0.662 0.010 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.573 -1.131 2.714 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.582 1.110 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.937 0.365 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.684 0.665 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.062 -1.002 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.396 -0.215 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.557 -1.699 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.279 -0.589 1.355 1.00 0.00 H new ATOM 376 N GLU A 27 -3.708 1.853 2.887 1.00 0.00 N ATOM 377 CA GLU A 27 -4.384 3.193 2.839 1.00 0.00 C ATOM 378 C GLU A 27 -5.705 3.131 3.606 1.00 0.00 C ATOM 379 O GLU A 27 -5.967 2.184 4.321 1.00 0.00 O ATOM 380 CB GLU A 27 -4.642 3.668 1.415 1.00 0.00 C ATOM 381 CG GLU A 27 -4.338 5.164 1.327 1.00 0.00 C ATOM 382 CD GLU A 27 -2.838 5.371 1.118 1.00 0.00 C ATOM 383 OE1 GLU A 27 -2.414 5.378 -0.026 1.00 0.00 O ATOM 384 OE2 GLU A 27 -2.137 5.521 2.105 1.00 0.00 O ATOM 0 H GLU A 27 -3.185 1.690 3.748 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.709 3.912 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.017 3.115 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.678 3.477 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.895 5.611 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.661 5.665 2.239 1.00 0.00 H new ATOM 391 N THR A 28 -6.525 4.149 3.469 1.00 0.00 N ATOM 392 CA THR A 28 -7.838 4.189 4.190 1.00 0.00 C ATOM 393 C THR A 28 -7.636 4.838 5.560 1.00 0.00 C ATOM 394 O THR A 28 -6.718 4.488 6.265 1.00 0.00 O ATOM 395 CB THR A 28 -8.385 2.769 4.370 1.00 0.00 C ATOM 396 OG1 THR A 28 -8.164 2.029 3.182 1.00 0.00 O ATOM 397 CG2 THR A 28 -9.883 2.816 4.675 1.00 0.00 C ATOM 0 H THR A 28 -6.337 4.962 2.882 1.00 0.00 H new ATOM 0 HA THR A 28 -8.553 4.769 3.606 1.00 0.00 H new ATOM 0 HB THR A 28 -7.871 2.290 5.203 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.351 1.491 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.261 1.801 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.050 3.382 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.407 3.299 3.850 1.00 0.00 H new ATOM 405 N TYR A 29 -8.493 5.768 5.943 1.00 0.00 N ATOM 406 CA TYR A 29 -8.348 6.448 7.280 1.00 0.00 C ATOM 407 C TYR A 29 -9.024 7.826 7.273 1.00 0.00 C ATOM 408 O TYR A 29 -9.696 8.202 6.339 1.00 0.00 O ATOM 409 CB TYR A 29 -6.864 6.689 7.611 1.00 0.00 C ATOM 410 CG TYR A 29 -6.311 7.801 6.735 1.00 0.00 C ATOM 411 CD1 TYR A 29 -6.222 7.642 5.343 1.00 0.00 C ATOM 412 CD2 TYR A 29 -5.874 8.993 7.325 1.00 0.00 C ATOM 413 CE1 TYR A 29 -5.697 8.667 4.553 1.00 0.00 C ATOM 414 CE2 TYR A 29 -5.352 10.020 6.533 1.00 0.00 C ATOM 415 CZ TYR A 29 -5.261 9.855 5.146 1.00 0.00 C ATOM 416 OH TYR A 29 -4.742 10.866 4.364 1.00 0.00 O ATOM 0 H TYR A 29 -9.287 6.084 5.386 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.813 5.792 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.756 6.955 8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.294 5.773 7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.560 6.726 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.940 9.120 8.396 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.628 8.541 3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.019 10.940 6.991 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.711 11.697 4.882 1.00 0.00 H new ATOM 426 N LYS A 30 -8.810 8.563 8.337 1.00 0.00 N ATOM 427 CA LYS A 30 -9.374 9.940 8.504 1.00 0.00 C ATOM 428 C LYS A 30 -10.703 10.128 7.761 1.00 0.00 C ATOM 429 O LYS A 30 -10.768 10.153 6.548 1.00 0.00 O ATOM 430 CB LYS A 30 -8.343 10.968 8.027 1.00 0.00 C ATOM 431 CG LYS A 30 -8.418 11.146 6.511 1.00 0.00 C ATOM 432 CD LYS A 30 -7.253 12.023 6.055 1.00 0.00 C ATOM 433 CE LYS A 30 -7.758 13.443 5.807 1.00 0.00 C ATOM 434 NZ LYS A 30 -7.666 14.231 7.068 1.00 0.00 N ATOM 0 H LYS A 30 -8.245 8.252 9.127 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.588 10.087 9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.521 11.924 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.342 10.645 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.376 10.176 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.366 11.605 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.470 12.030 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.812 11.617 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.167 13.919 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.790 13.417 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.570 14.175 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.907 13.844 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.457 15.224 6.842 1.00 0.00 H new ATOM 448 N LYS A 31 -11.767 10.299 8.497 1.00 0.00 N ATOM 449 CA LYS A 31 -13.091 10.521 7.854 1.00 0.00 C ATOM 450 C LYS A 31 -13.260 12.009 7.543 1.00 0.00 C ATOM 451 O LYS A 31 -14.313 12.436 7.124 1.00 0.00 O ATOM 452 CB LYS A 31 -14.202 10.057 8.798 1.00 0.00 C ATOM 453 CG LYS A 31 -14.117 10.843 10.109 1.00 0.00 C ATOM 454 CD LYS A 31 -13.676 9.909 11.237 1.00 0.00 C ATOM 455 CE LYS A 31 -12.344 10.395 11.811 1.00 0.00 C ATOM 456 NZ LYS A 31 -12.415 10.403 13.299 1.00 0.00 N ATOM 0 H LYS A 31 -11.776 10.294 9.517 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.149 9.951 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -15.176 10.208 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.105 8.989 8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.410 11.666 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.086 11.283 10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.434 9.884 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.572 8.891 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.534 9.745 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.121 11.396 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.509 10.734 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.177 11.040 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.609 9.441 13.642 1.00 0.00 H new ATOM 470 N HIS A 32 -12.218 12.783 7.744 1.00 0.00 N ATOM 471 CA HIS A 32 -12.245 14.251 7.450 1.00 0.00 C ATOM 472 C HIS A 32 -13.702 14.813 7.542 1.00 0.00 C ATOM 473 O HIS A 32 -14.286 14.655 8.596 1.00 0.00 O ATOM 474 CB HIS A 32 -11.517 14.475 6.127 1.00 0.00 C ATOM 475 CG HIS A 32 -12.008 13.515 5.080 1.00 0.00 C ATOM 476 ND1 HIS A 32 -11.159 13.017 4.116 1.00 0.00 N ATOM 477 CD2 HIS A 32 -13.232 12.938 4.832 1.00 0.00 C ATOM 478 CE1 HIS A 32 -11.868 12.187 3.344 1.00 0.00 C ATOM 479 NE2 HIS A 32 -13.137 12.096 3.735 1.00 0.00 N ATOM 0 H HIS A 32 -11.327 12.447 8.110 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.710 14.833 8.200 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.673 15.500 5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.444 14.347 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.130 13.114 5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.458 11.652 2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.877 11.531 3.319 1.00 0.00 H new ATOM 487 N PRO A 33 -14.306 15.460 6.527 1.00 0.00 N ATOM 488 CA PRO A 33 -15.677 15.970 6.722 1.00 0.00 C ATOM 489 C PRO A 33 -16.677 14.817 6.620 1.00 0.00 C ATOM 490 O PRO A 33 -17.491 14.619 7.497 1.00 0.00 O ATOM 491 CB PRO A 33 -15.903 16.966 5.579 1.00 0.00 C ATOM 492 CG PRO A 33 -14.691 16.863 4.625 1.00 0.00 C ATOM 493 CD PRO A 33 -13.770 15.759 5.167 1.00 0.00 C ATOM 0 HA PRO A 33 -15.809 16.435 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.828 16.738 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -16.000 17.980 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.019 16.626 3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.161 17.814 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.791 14.876 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.734 16.094 5.213 1.00 0.00 H new ATOM 501 N LEU A 34 -16.605 14.066 5.547 1.00 0.00 N ATOM 502 CA LEU A 34 -17.530 12.909 5.330 1.00 0.00 C ATOM 503 C LEU A 34 -17.711 12.732 3.823 1.00 0.00 C ATOM 504 O LEU A 34 -18.738 13.065 3.266 1.00 0.00 O ATOM 505 CB LEU A 34 -18.902 13.167 5.976 1.00 0.00 C ATOM 506 CG LEU A 34 -19.890 12.075 5.552 1.00 0.00 C ATOM 507 CD1 LEU A 34 -19.838 10.926 6.561 1.00 0.00 C ATOM 508 CD2 LEU A 34 -21.306 12.655 5.517 1.00 0.00 C ATOM 0 H LEU A 34 -15.929 14.210 4.797 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.105 12.015 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.806 13.181 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.277 14.146 5.676 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.623 11.706 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.540 10.147 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.830 10.513 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.108 11.297 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.010 11.879 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.573 13.022 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.345 13.477 4.803 1.00 0.00 H new ATOM 520 N TYR A 35 -16.713 12.224 3.156 1.00 0.00 N ATOM 521 CA TYR A 35 -16.821 12.039 1.684 1.00 0.00 C ATOM 522 C TYR A 35 -15.670 11.163 1.198 1.00 0.00 C ATOM 523 O TYR A 35 -15.873 10.090 0.665 1.00 0.00 O ATOM 524 CB TYR A 35 -16.737 13.407 1.002 1.00 0.00 C ATOM 525 CG TYR A 35 -17.660 13.439 -0.192 1.00 0.00 C ATOM 526 CD1 TYR A 35 -17.499 12.514 -1.230 1.00 0.00 C ATOM 527 CD2 TYR A 35 -18.674 14.401 -0.264 1.00 0.00 C ATOM 528 CE1 TYR A 35 -18.352 12.551 -2.339 1.00 0.00 C ATOM 529 CE2 TYR A 35 -19.528 14.438 -1.372 1.00 0.00 C ATOM 530 CZ TYR A 35 -19.366 13.512 -2.410 1.00 0.00 C ATOM 531 OH TYR A 35 -20.206 13.549 -3.503 1.00 0.00 O ATOM 0 H TYR A 35 -15.827 11.929 3.567 1.00 0.00 H new ATOM 0 HA TYR A 35 -17.770 11.561 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.011 14.192 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -15.712 13.604 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.716 11.772 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.798 15.116 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.227 11.837 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.311 15.180 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.854 14.276 -3.393 1.00 0.00 H new ATOM 541 N GLY A 36 -14.461 11.616 1.375 1.00 0.00 N ATOM 542 CA GLY A 36 -13.292 10.816 0.922 1.00 0.00 C ATOM 543 C GLY A 36 -12.442 11.658 -0.033 1.00 0.00 C ATOM 544 O GLY A 36 -11.894 11.156 -0.993 1.00 0.00 O ATOM 0 H GLY A 36 -14.232 12.508 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.696 10.505 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.630 9.908 0.422 1.00 0.00 H new ATOM 548 N LYS A 37 -12.326 12.937 0.219 1.00 0.00 N ATOM 549 CA LYS A 37 -11.507 13.795 -0.687 1.00 0.00 C ATOM 550 C LYS A 37 -10.154 14.099 -0.037 1.00 0.00 C ATOM 551 O LYS A 37 -9.352 14.845 -0.560 1.00 0.00 O ATOM 552 CB LYS A 37 -12.253 15.098 -0.993 1.00 0.00 C ATOM 553 CG LYS A 37 -12.745 15.737 0.306 1.00 0.00 C ATOM 554 CD LYS A 37 -12.827 17.255 0.123 1.00 0.00 C ATOM 555 CE LYS A 37 -14.133 17.776 0.725 1.00 0.00 C ATOM 556 NZ LYS A 37 -15.192 17.797 -0.324 1.00 0.00 N ATOM 0 H LYS A 37 -12.759 13.420 1.006 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.336 13.262 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.595 15.788 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.098 14.897 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.723 15.338 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.067 15.494 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.976 17.736 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.778 17.507 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.442 17.141 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.986 18.778 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.080 18.151 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.897 18.420 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.339 16.834 -0.688 1.00 0.00 H new ATOM 570 N ARG A 38 -9.896 13.491 1.080 1.00 0.00 N ATOM 571 CA ARG A 38 -8.595 13.678 1.789 1.00 0.00 C ATOM 572 C ARG A 38 -8.223 12.331 2.405 1.00 0.00 C ATOM 573 O ARG A 38 -8.163 12.178 3.607 1.00 0.00 O ATOM 574 CB ARG A 38 -8.736 14.737 2.887 1.00 0.00 C ATOM 575 CG ARG A 38 -7.581 15.737 2.786 1.00 0.00 C ATOM 576 CD ARG A 38 -7.736 16.573 1.515 1.00 0.00 C ATOM 577 NE ARG A 38 -8.463 17.833 1.839 1.00 0.00 N ATOM 578 CZ ARG A 38 -8.495 18.813 0.977 1.00 0.00 C ATOM 579 NH1 ARG A 38 -7.898 18.691 -0.178 1.00 0.00 N ATOM 580 NH2 ARG A 38 -9.128 19.916 1.269 1.00 0.00 N ATOM 0 H ARG A 38 -10.544 12.856 1.547 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.824 14.017 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.689 15.256 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.734 14.261 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.571 16.386 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.628 15.207 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.757 16.803 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.282 16.009 0.759 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.937 17.930 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.405 17.828 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.925 19.458 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.597 20.012 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.154 20.683 0.597 1.00 0.00 H new ATOM 594 N VAL A 39 -7.993 11.363 1.551 1.00 0.00 N ATOM 595 CA VAL A 39 -7.663 9.958 1.966 1.00 0.00 C ATOM 596 C VAL A 39 -8.310 9.016 0.944 1.00 0.00 C ATOM 597 O VAL A 39 -7.628 8.239 0.313 1.00 0.00 O ATOM 598 CB VAL A 39 -8.212 9.624 3.386 1.00 0.00 C ATOM 599 CG1 VAL A 39 -9.598 10.212 3.611 1.00 0.00 C ATOM 600 CG2 VAL A 39 -8.344 8.112 3.566 1.00 0.00 C ATOM 0 H VAL A 39 -8.022 11.494 0.540 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.580 9.842 2.001 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.503 10.051 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.944 9.956 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.554 11.296 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.290 9.805 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.729 7.896 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.031 7.715 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.367 7.645 3.445 1.00 0.00 H new ATOM 610 N LYS A 40 -9.611 9.097 0.781 1.00 0.00 N ATOM 611 CA LYS A 40 -10.351 8.238 -0.203 1.00 0.00 C ATOM 612 C LYS A 40 -10.973 7.086 0.558 1.00 0.00 C ATOM 613 O LYS A 40 -12.129 6.777 0.384 1.00 0.00 O ATOM 614 CB LYS A 40 -9.439 7.695 -1.313 1.00 0.00 C ATOM 615 CG LYS A 40 -8.760 8.858 -2.041 1.00 0.00 C ATOM 616 CD LYS A 40 -8.500 8.465 -3.497 1.00 0.00 C ATOM 617 CE LYS A 40 -9.834 8.299 -4.227 1.00 0.00 C ATOM 618 NZ LYS A 40 -9.584 8.102 -5.683 1.00 0.00 N ATOM 0 H LYS A 40 -10.206 9.740 1.303 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.111 8.847 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.686 7.032 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.022 7.103 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.392 9.745 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.821 9.111 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.897 9.228 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.933 7.535 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.378 7.446 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.458 9.179 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.491 7.989 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.082 8.929 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.004 7.250 -5.824 1.00 0.00 H new ATOM 632 N TYR A 41 -10.174 6.476 1.402 1.00 0.00 N ATOM 633 CA TYR A 41 -10.596 5.324 2.261 1.00 0.00 C ATOM 634 C TYR A 41 -10.067 4.014 1.705 1.00 0.00 C ATOM 635 O TYR A 41 -10.695 2.983 1.828 1.00 0.00 O ATOM 636 CB TYR A 41 -12.093 5.226 2.426 1.00 0.00 C ATOM 637 CG TYR A 41 -12.461 5.962 3.684 1.00 0.00 C ATOM 638 CD1 TYR A 41 -11.814 5.631 4.878 1.00 0.00 C ATOM 639 CD2 TYR A 41 -13.422 6.976 3.664 1.00 0.00 C ATOM 640 CE1 TYR A 41 -12.128 6.305 6.056 1.00 0.00 C ATOM 641 CE2 TYR A 41 -13.738 7.656 4.846 1.00 0.00 C ATOM 642 CZ TYR A 41 -13.090 7.319 6.043 1.00 0.00 C ATOM 643 OH TYR A 41 -13.408 7.975 7.213 1.00 0.00 O ATOM 0 H TYR A 41 -9.199 6.745 1.535 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.167 5.512 3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.602 5.660 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.404 4.183 2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.068 4.850 4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.919 7.234 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.629 6.045 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.481 8.440 4.836 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.724 7.788 7.889 1.00 0.00 H new ATOM 653 N SER A 42 -8.900 4.066 1.137 1.00 0.00 N ATOM 654 CA SER A 42 -8.230 2.843 0.574 1.00 0.00 C ATOM 655 C SER A 42 -7.542 3.137 -0.762 1.00 0.00 C ATOM 656 O SER A 42 -8.147 3.576 -1.718 1.00 0.00 O ATOM 657 CB SER A 42 -9.242 1.716 0.335 1.00 0.00 C ATOM 658 OG SER A 42 -9.470 1.015 1.551 1.00 0.00 O ATOM 0 H SER A 42 -8.359 4.925 1.032 1.00 0.00 H new ATOM 0 HA SER A 42 -7.489 2.538 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.179 2.128 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.867 1.032 -0.426 1.00 0.00 H new ATOM 0 HG SER A 42 -9.089 1.523 2.298 1.00 0.00 H new ATOM 664 N LYS A 43 -6.277 2.814 -0.827 1.00 0.00 N ATOM 665 CA LYS A 43 -5.487 2.965 -2.078 1.00 0.00 C ATOM 666 C LYS A 43 -4.872 1.589 -2.288 1.00 0.00 C ATOM 667 O LYS A 43 -5.463 0.620 -1.887 1.00 0.00 O ATOM 668 CB LYS A 43 -4.387 4.023 -1.905 1.00 0.00 C ATOM 669 CG LYS A 43 -5.011 5.422 -1.892 1.00 0.00 C ATOM 670 CD LYS A 43 -4.973 6.020 -3.300 1.00 0.00 C ATOM 671 CE LYS A 43 -4.634 7.511 -3.214 1.00 0.00 C ATOM 672 NZ LYS A 43 -3.238 7.736 -3.689 1.00 0.00 N ATOM 0 H LYS A 43 -5.746 2.441 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.096 3.292 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.844 3.848 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.663 3.945 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.040 5.368 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.469 6.065 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.230 5.502 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.937 5.883 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.332 8.088 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.740 7.859 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.010 8.749 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.577 7.197 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.152 7.419 -4.676 1.00 0.00 H new ATOM 686 N LYS A 44 -3.684 1.462 -2.811 1.00 0.00 N ATOM 687 CA LYS A 44 -3.106 0.087 -2.947 1.00 0.00 C ATOM 688 C LYS A 44 -1.950 0.065 -3.926 1.00 0.00 C ATOM 689 O LYS A 44 -1.930 0.700 -4.962 1.00 0.00 O ATOM 690 CB LYS A 44 -4.168 -0.878 -3.366 1.00 0.00 C ATOM 691 CG LYS A 44 -4.518 -1.698 -2.143 1.00 0.00 C ATOM 692 CD LYS A 44 -5.201 -3.005 -2.572 1.00 0.00 C ATOM 693 CE LYS A 44 -6.396 -2.687 -3.473 1.00 0.00 C ATOM 694 NZ LYS A 44 -6.156 -3.246 -4.835 1.00 0.00 N ATOM 0 H LYS A 44 -3.097 2.227 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.718 -0.213 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.044 -0.350 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.812 -1.519 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.617 -1.919 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.179 -1.129 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.492 -3.641 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.532 -3.560 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.307 -3.111 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.544 -1.609 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.968 -3.030 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.296 -2.822 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.036 -4.277 -4.771 1.00 0.00 H new ATOM 708 N TYR A 45 -0.905 -0.540 -3.422 1.00 0.00 N ATOM 709 CA TYR A 45 0.407 -0.542 -4.033 1.00 0.00 C ATOM 710 C TYR A 45 0.615 -1.963 -4.568 1.00 0.00 C ATOM 711 O TYR A 45 1.007 -2.914 -3.889 1.00 0.00 O ATOM 712 CB TYR A 45 1.370 -0.074 -2.869 1.00 0.00 C ATOM 713 CG TYR A 45 0.528 0.667 -1.779 1.00 0.00 C ATOM 714 CD1 TYR A 45 -0.614 1.395 -2.136 1.00 0.00 C ATOM 715 CD2 TYR A 45 0.833 0.576 -0.431 1.00 0.00 C ATOM 716 CE1 TYR A 45 -1.424 1.989 -1.184 1.00 0.00 C ATOM 717 CE2 TYR A 45 0.024 1.189 0.519 1.00 0.00 C ATOM 718 CZ TYR A 45 -1.114 1.883 0.146 1.00 0.00 C ATOM 719 OH TYR A 45 -1.908 2.501 1.090 1.00 0.00 O ATOM 0 H TYR A 45 -0.941 -1.063 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 45 0.577 0.119 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.878 -0.934 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.142 0.587 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.869 1.495 -3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.706 0.024 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.303 2.537 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.288 1.123 1.564 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.341 2.945 1.755 1.00 0.00 H new ATOM 729 N LYS A 46 0.216 -2.091 -5.791 1.00 0.00 N ATOM 730 CA LYS A 46 0.229 -3.410 -6.492 1.00 0.00 C ATOM 731 C LYS A 46 1.465 -3.563 -7.387 1.00 0.00 C ATOM 732 O LYS A 46 2.264 -2.659 -7.529 1.00 0.00 O ATOM 733 CB LYS A 46 -1.032 -3.533 -7.351 1.00 0.00 C ATOM 734 CG LYS A 46 -1.297 -2.214 -8.083 1.00 0.00 C ATOM 735 CD LYS A 46 -2.413 -2.413 -9.110 1.00 0.00 C ATOM 736 CE LYS A 46 -2.528 -1.168 -9.990 1.00 0.00 C ATOM 737 NZ LYS A 46 -3.898 -0.596 -9.865 1.00 0.00 N ATOM 0 H LYS A 46 -0.131 -1.318 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 46 0.259 -4.196 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.913 -4.341 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.886 -3.788 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.580 -1.440 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.389 -1.873 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.203 -3.288 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.359 -2.600 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.785 -0.429 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.323 -1.424 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.977 0.251 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.598 -1.302 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.077 -0.337 -8.874 1.00 0.00 H new ATOM 751 N ALA A 47 1.611 -4.733 -7.976 1.00 0.00 N ATOM 752 CA ALA A 47 2.777 -5.032 -8.859 1.00 0.00 C ATOM 753 C ALA A 47 3.085 -6.537 -8.793 1.00 0.00 C ATOM 754 O ALA A 47 2.596 -7.259 -7.928 1.00 0.00 O ATOM 755 CB ALA A 47 4.008 -4.247 -8.395 1.00 0.00 C ATOM 0 H ALA A 47 0.952 -5.505 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 47 2.534 -4.742 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.851 -4.474 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.795 -3.179 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.255 -4.529 -7.371 1.00 0.00 H new ATOM 761 N HIS A 48 3.894 -7.017 -9.703 1.00 0.00 N ATOM 762 CA HIS A 48 4.240 -8.465 -9.708 1.00 0.00 C ATOM 763 C HIS A 48 5.002 -8.806 -8.425 1.00 0.00 C ATOM 764 O HIS A 48 5.573 -7.948 -7.784 1.00 0.00 O ATOM 765 CB HIS A 48 5.099 -8.783 -10.954 1.00 0.00 C ATOM 766 CG HIS A 48 6.559 -8.945 -10.587 1.00 0.00 C ATOM 767 ND1 HIS A 48 7.335 -9.985 -11.076 1.00 0.00 N ATOM 768 CD2 HIS A 48 7.390 -8.208 -9.777 1.00 0.00 C ATOM 769 CE1 HIS A 48 8.572 -9.845 -10.561 1.00 0.00 C ATOM 770 NE2 HIS A 48 8.659 -8.778 -9.763 1.00 0.00 N ATOM 0 H HIS A 48 4.329 -6.465 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 48 3.332 -9.067 -9.748 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.736 -9.697 -11.425 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.992 -7.983 -11.686 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.026 -10.722 -11.710 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.101 -7.320 -9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.394 -10.515 -10.768 1.00 0.00 H new ATOM 778 N ASP A 49 5.023 -10.052 -8.055 1.00 0.00 N ATOM 779 CA ASP A 49 5.758 -10.440 -6.827 1.00 0.00 C ATOM 780 C ASP A 49 7.222 -10.023 -6.961 1.00 0.00 C ATOM 781 O ASP A 49 7.849 -10.241 -7.978 1.00 0.00 O ATOM 782 CB ASP A 49 5.672 -11.958 -6.645 1.00 0.00 C ATOM 783 CG ASP A 49 6.531 -12.648 -7.705 1.00 0.00 C ATOM 784 OD1 ASP A 49 7.743 -12.603 -7.578 1.00 0.00 O ATOM 785 OD2 ASP A 49 5.962 -13.208 -8.627 1.00 0.00 O ATOM 0 H ASP A 49 4.564 -10.817 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 49 5.317 -9.944 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.014 -12.235 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.636 -12.287 -6.730 1.00 0.00 H new ATOM 790 N GLU A 50 7.773 -9.422 -5.943 1.00 0.00 N ATOM 791 CA GLU A 50 9.195 -8.991 -6.020 1.00 0.00 C ATOM 792 C GLU A 50 9.940 -9.454 -4.766 1.00 0.00 C ATOM 793 O GLU A 50 9.704 -8.953 -3.688 1.00 0.00 O ATOM 794 CB GLU A 50 9.261 -7.467 -6.108 1.00 0.00 C ATOM 795 CG GLU A 50 10.322 -7.062 -7.133 1.00 0.00 C ATOM 796 CD GLU A 50 9.784 -5.921 -7.996 1.00 0.00 C ATOM 797 OE1 GLU A 50 8.863 -5.255 -7.555 1.00 0.00 O ATOM 798 OE2 GLU A 50 10.303 -5.733 -9.085 1.00 0.00 O ATOM 0 H GLU A 50 7.301 -9.212 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 50 9.657 -9.431 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.289 -7.066 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.503 -7.046 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.234 -6.749 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.583 -7.915 -7.760 1.00 0.00 H new ATOM 805 N HIS A 51 10.827 -10.411 -4.917 1.00 0.00 N ATOM 806 CA HIS A 51 11.630 -10.939 -3.763 1.00 0.00 C ATOM 807 C HIS A 51 10.849 -12.040 -3.039 1.00 0.00 C ATOM 808 O HIS A 51 11.222 -12.467 -1.963 1.00 0.00 O ATOM 809 CB HIS A 51 12.001 -9.821 -2.780 1.00 0.00 C ATOM 810 CG HIS A 51 13.452 -9.465 -2.959 1.00 0.00 C ATOM 811 ND1 HIS A 51 14.466 -10.404 -2.858 1.00 0.00 N ATOM 812 CD2 HIS A 51 14.072 -8.271 -3.241 1.00 0.00 C ATOM 813 CE1 HIS A 51 15.631 -9.766 -3.077 1.00 0.00 C ATOM 814 NE2 HIS A 51 15.447 -8.465 -3.315 1.00 0.00 N ATOM 0 H HIS A 51 11.033 -10.858 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 51 12.555 -11.356 -4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.375 -8.945 -2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.818 -10.146 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.568 -7.326 -3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.597 -10.248 -3.062 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.162 -7.764 -3.509 1.00 0.00 H new ATOM 822 N ASN A 52 9.768 -12.483 -3.621 1.00 0.00 N ATOM 823 CA ASN A 52 8.929 -13.551 -2.994 1.00 0.00 C ATOM 824 C ASN A 52 7.936 -12.897 -2.042 1.00 0.00 C ATOM 825 O ASN A 52 7.349 -13.541 -1.195 1.00 0.00 O ATOM 826 CB ASN A 52 9.810 -14.534 -2.219 1.00 0.00 C ATOM 827 CG ASN A 52 9.209 -15.938 -2.306 1.00 0.00 C ATOM 828 OD1 ASN A 52 9.369 -16.621 -3.298 1.00 0.00 O ATOM 829 ND2 ASN A 52 8.517 -16.400 -1.299 1.00 0.00 N ATOM 0 H ASN A 52 9.423 -12.146 -4.520 1.00 0.00 H new ATOM 0 HA ASN A 52 8.399 -14.099 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.820 -14.534 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.888 -14.225 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.111 -17.334 -1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.383 -15.826 -0.466 1.00 0.00 H new ATOM 836 N GLU A 53 7.757 -11.611 -2.170 1.00 0.00 N ATOM 837 CA GLU A 53 6.820 -10.882 -1.272 1.00 0.00 C ATOM 838 C GLU A 53 7.355 -10.901 0.160 1.00 0.00 C ATOM 839 O GLU A 53 6.743 -10.357 1.056 1.00 0.00 O ATOM 840 CB GLU A 53 5.435 -11.539 -1.274 1.00 0.00 C ATOM 841 CG GLU A 53 5.109 -12.126 -2.646 1.00 0.00 C ATOM 842 CD GLU A 53 5.131 -11.023 -3.698 1.00 0.00 C ATOM 843 OE1 GLU A 53 5.905 -10.094 -3.543 1.00 0.00 O ATOM 844 OE2 GLU A 53 4.370 -11.129 -4.640 1.00 0.00 O ATOM 0 H GLU A 53 8.225 -11.030 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 53 6.737 -9.858 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.401 -12.326 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.679 -10.803 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.833 -12.900 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.128 -12.601 -2.625 1.00 0.00 H new ATOM 851 N ALA A 54 8.485 -11.524 0.390 1.00 0.00 N ATOM 852 CA ALA A 54 9.036 -11.580 1.778 1.00 0.00 C ATOM 853 C ALA A 54 7.887 -11.766 2.780 1.00 0.00 C ATOM 854 O ALA A 54 7.375 -10.807 3.318 1.00 0.00 O ATOM 855 CB ALA A 54 9.772 -10.274 2.081 1.00 0.00 C ATOM 0 H ALA A 54 9.047 -11.994 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 54 9.728 -12.418 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.176 -10.310 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.587 -10.142 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.078 -9.437 1.997 1.00 0.00 H new ATOM 861 N LYS A 55 7.479 -12.993 3.017 1.00 0.00 N ATOM 862 CA LYS A 55 6.356 -13.271 3.975 1.00 0.00 C ATOM 863 C LYS A 55 5.012 -13.248 3.230 1.00 0.00 C ATOM 864 O LYS A 55 4.138 -14.045 3.498 1.00 0.00 O ATOM 865 CB LYS A 55 6.340 -12.233 5.104 1.00 0.00 C ATOM 866 CG LYS A 55 5.444 -12.727 6.244 1.00 0.00 C ATOM 867 CD LYS A 55 6.147 -13.859 6.993 1.00 0.00 C ATOM 868 CE LYS A 55 6.506 -13.392 8.406 1.00 0.00 C ATOM 869 NZ LYS A 55 7.933 -13.719 8.687 1.00 0.00 N ATOM 0 H LYS A 55 7.881 -13.824 2.582 1.00 0.00 H new ATOM 0 HA LYS A 55 6.511 -14.258 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.352 -12.064 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.974 -11.278 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.222 -11.907 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.491 -13.077 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.499 -14.734 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.048 -14.159 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.342 -12.318 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.859 -13.877 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.179 -13.403 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.074 -14.747 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.542 -13.236 7.996 1.00 0.00 H new ATOM 883 N VAL A 56 4.843 -12.341 2.301 1.00 0.00 N ATOM 884 CA VAL A 56 3.556 -12.260 1.536 1.00 0.00 C ATOM 885 C VAL A 56 2.419 -11.917 2.478 1.00 0.00 C ATOM 886 O VAL A 56 2.348 -12.358 3.608 1.00 0.00 O ATOM 887 CB VAL A 56 3.277 -13.585 0.781 1.00 0.00 C ATOM 888 CG1 VAL A 56 4.596 -14.265 0.403 1.00 0.00 C ATOM 889 CG2 VAL A 56 2.446 -14.565 1.628 1.00 0.00 C ATOM 0 H VAL A 56 5.544 -11.648 2.037 1.00 0.00 H new ATOM 0 HA VAL A 56 3.639 -11.470 0.790 1.00 0.00 H new ATOM 0 HB VAL A 56 2.710 -13.329 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.387 -15.195 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.175 -13.603 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.165 -14.482 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.274 -15.480 1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.986 -14.802 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.489 -14.108 1.879 1.00 0.00 H new ATOM 899 N GLY A 57 1.540 -11.115 1.990 1.00 0.00 N ATOM 900 CA GLY A 57 0.380 -10.681 2.782 1.00 0.00 C ATOM 901 C GLY A 57 0.819 -10.182 4.187 1.00 0.00 C ATOM 902 O GLY A 57 0.364 -10.693 5.192 1.00 0.00 O ATOM 0 H GLY A 57 1.578 -10.730 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.145 -9.883 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.322 -11.508 2.889 1.00 0.00 H new ATOM 906 N ASP A 58 1.693 -9.193 4.275 1.00 0.00 N ATOM 907 CA ASP A 58 2.132 -8.689 5.629 1.00 0.00 C ATOM 908 C ASP A 58 2.172 -7.151 5.644 1.00 0.00 C ATOM 909 O ASP A 58 2.210 -6.525 4.613 1.00 0.00 O ATOM 910 CB ASP A 58 3.536 -9.213 5.956 1.00 0.00 C ATOM 911 CG ASP A 58 4.224 -9.714 4.685 1.00 0.00 C ATOM 912 OD1 ASP A 58 3.961 -10.840 4.298 1.00 0.00 O ATOM 913 OD2 ASP A 58 5.000 -8.962 4.119 1.00 0.00 O ATOM 0 H ASP A 58 2.116 -8.718 3.478 1.00 0.00 H new ATOM 0 HA ASP A 58 1.416 -9.046 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.130 -8.421 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.470 -10.021 6.685 1.00 0.00 H new ATOM 918 N ILE A 59 2.182 -6.533 6.810 1.00 0.00 N ATOM 919 CA ILE A 59 2.232 -5.031 6.866 1.00 0.00 C ATOM 920 C ILE A 59 3.687 -4.571 6.723 1.00 0.00 C ATOM 921 O ILE A 59 4.323 -4.171 7.679 1.00 0.00 O ATOM 922 CB ILE A 59 1.666 -4.551 8.206 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.230 -5.061 8.366 1.00 0.00 C ATOM 924 CG2 ILE A 59 1.668 -3.022 8.245 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.136 -5.942 9.613 1.00 0.00 C ATOM 0 H ILE A 59 2.158 -7.000 7.716 1.00 0.00 H new ATOM 0 HA ILE A 59 1.637 -4.611 6.055 1.00 0.00 H new ATOM 0 HB ILE A 59 2.283 -4.936 9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.458 -4.220 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.066 -5.629 7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.265 -2.682 9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.689 -2.656 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.052 -2.637 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.886 -6.304 9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.813 -6.790 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.414 -5.360 10.492 1.00 0.00 H new ATOM 937 N VAL A 60 4.218 -4.662 5.536 1.00 0.00 N ATOM 938 CA VAL A 60 5.649 -4.276 5.289 1.00 0.00 C ATOM 939 C VAL A 60 5.825 -2.770 5.488 1.00 0.00 C ATOM 940 O VAL A 60 6.594 -2.285 6.232 1.00 0.00 O ATOM 941 CB VAL A 60 6.006 -4.716 3.844 1.00 0.00 C ATOM 942 CG1 VAL A 60 6.553 -3.558 2.992 1.00 0.00 C ATOM 943 CG2 VAL A 60 7.058 -5.825 3.902 1.00 0.00 C ATOM 0 H VAL A 60 3.719 -4.992 4.710 1.00 0.00 H new ATOM 0 HA VAL A 60 6.321 -4.768 5.993 1.00 0.00 H new ATOM 0 HB VAL A 60 5.087 -5.068 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.786 -3.921 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.804 -2.769 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.457 -3.162 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.313 -6.138 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.952 -5.453 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.660 -6.675 4.456 1.00 0.00 H new ATOM 953 N LYS A 61 5.089 -2.092 4.782 1.00 0.00 N ATOM 954 CA LYS A 61 5.069 -0.566 4.788 1.00 0.00 C ATOM 955 C LYS A 61 5.830 -0.021 3.579 1.00 0.00 C ATOM 956 O LYS A 61 6.408 -0.778 2.859 1.00 0.00 O ATOM 957 CB LYS A 61 5.632 0.032 6.084 1.00 0.00 C ATOM 958 CG LYS A 61 4.778 -0.419 7.273 1.00 0.00 C ATOM 959 CD LYS A 61 4.839 0.640 8.378 1.00 0.00 C ATOM 960 CE LYS A 61 5.098 -0.043 9.723 1.00 0.00 C ATOM 961 NZ LYS A 61 6.513 0.185 10.128 1.00 0.00 N ATOM 0 H LYS A 61 4.423 -2.501 4.126 1.00 0.00 H new ATOM 0 HA LYS A 61 4.023 -0.264 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.665 -0.286 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.639 1.120 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.746 -0.570 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.139 -1.376 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.630 1.359 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.903 1.197 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.423 0.354 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.898 -1.112 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.750 -0.437 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.142 -0.025 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.637 1.177 10.414 1.00 0.00 H new ATOM 975 N ILE A 62 5.761 1.291 3.362 1.00 0.00 N ATOM 976 CA ILE A 62 6.388 1.991 2.186 1.00 0.00 C ATOM 977 C ILE A 62 5.572 3.266 1.974 1.00 0.00 C ATOM 978 O ILE A 62 5.157 3.901 2.923 1.00 0.00 O ATOM 979 CB ILE A 62 6.392 1.208 0.832 1.00 0.00 C ATOM 980 CG1 ILE A 62 4.958 0.863 0.403 1.00 0.00 C ATOM 981 CG2 ILE A 62 7.286 -0.034 0.876 1.00 0.00 C ATOM 982 CD1 ILE A 62 4.592 1.641 -0.884 1.00 0.00 C ATOM 0 H ILE A 62 5.269 1.926 3.990 1.00 0.00 H new ATOM 0 HA ILE A 62 7.439 2.137 2.434 1.00 0.00 H new ATOM 0 HB ILE A 62 6.824 1.865 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.869 -0.209 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.260 1.114 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.253 -0.541 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.312 0.263 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.931 -0.710 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.574 1.392 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.663 2.712 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.282 1.368 -1.683 1.00 0.00 H new ATOM 994 N MET A 63 5.437 3.689 0.766 1.00 0.00 N ATOM 995 CA MET A 63 4.792 4.979 0.440 1.00 0.00 C ATOM 996 C MET A 63 5.554 5.416 -0.785 1.00 0.00 C ATOM 997 O MET A 63 6.301 4.646 -1.332 1.00 0.00 O ATOM 998 CB MET A 63 5.119 5.999 1.526 1.00 0.00 C ATOM 999 CG MET A 63 6.582 5.817 1.881 1.00 0.00 C ATOM 1000 SD MET A 63 7.381 7.418 2.170 1.00 0.00 S ATOM 1001 CE MET A 63 8.520 6.891 3.473 1.00 0.00 C ATOM 0 H MET A 63 5.762 3.171 -0.050 1.00 0.00 H new ATOM 0 HA MET A 63 3.711 4.898 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.932 7.013 1.172 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.488 5.846 2.401 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.670 5.196 2.773 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.093 5.291 1.075 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.531 7.212 3.224 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.220 7.338 4.421 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.495 5.805 3.560 1.00 0.00 H new ATOM 1011 N GLU A 64 5.458 6.629 -1.177 1.00 0.00 N ATOM 1012 CA GLU A 64 6.291 7.097 -2.341 1.00 0.00 C ATOM 1013 C GLU A 64 5.685 6.685 -3.681 1.00 0.00 C ATOM 1014 O GLU A 64 6.360 6.190 -4.562 1.00 0.00 O ATOM 1015 CB GLU A 64 7.685 6.471 -2.231 1.00 0.00 C ATOM 1016 CG GLU A 64 8.089 6.350 -0.760 1.00 0.00 C ATOM 1017 CD GLU A 64 9.413 7.077 -0.516 1.00 0.00 C ATOM 1018 OE1 GLU A 64 9.458 8.276 -0.742 1.00 0.00 O ATOM 1019 OE2 GLU A 64 10.359 6.424 -0.108 1.00 0.00 O ATOM 0 H GLU A 64 4.849 7.334 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 64 6.335 8.186 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.689 5.487 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.411 7.083 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.311 6.773 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.187 5.299 -0.487 1.00 0.00 H new ATOM 1026 N THR A 65 4.427 6.911 -3.850 1.00 0.00 N ATOM 1027 CA THR A 65 3.762 6.552 -5.132 1.00 0.00 C ATOM 1028 C THR A 65 3.966 7.667 -6.166 1.00 0.00 C ATOM 1029 O THR A 65 3.265 7.741 -7.154 1.00 0.00 O ATOM 1030 CB THR A 65 2.268 6.357 -4.874 1.00 0.00 C ATOM 1031 OG1 THR A 65 1.600 7.607 -4.991 1.00 0.00 O ATOM 1032 CG2 THR A 65 2.071 5.795 -3.465 1.00 0.00 C ATOM 0 H THR A 65 3.816 7.334 -3.151 1.00 0.00 H new ATOM 0 HA THR A 65 4.197 5.632 -5.522 1.00 0.00 H new ATOM 0 HB THR A 65 1.855 5.661 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.642 7.482 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.007 5.654 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.585 4.838 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.480 6.493 -2.734 1.00 0.00 H new ATOM 1040 N ARG A 66 4.922 8.532 -5.952 1.00 0.00 N ATOM 1041 CA ARG A 66 5.162 9.632 -6.930 1.00 0.00 C ATOM 1042 C ARG A 66 5.497 9.031 -8.299 1.00 0.00 C ATOM 1043 O ARG A 66 5.961 7.911 -8.386 1.00 0.00 O ATOM 1044 CB ARG A 66 6.334 10.496 -6.455 1.00 0.00 C ATOM 1045 CG ARG A 66 5.911 11.305 -5.227 1.00 0.00 C ATOM 1046 CD ARG A 66 6.523 12.708 -5.297 1.00 0.00 C ATOM 1047 NE ARG A 66 7.841 12.711 -4.596 1.00 0.00 N ATOM 1048 CZ ARG A 66 8.673 13.704 -4.762 1.00 0.00 C ATOM 1049 NH1 ARG A 66 8.355 14.707 -5.535 1.00 0.00 N ATOM 1050 NH2 ARG A 66 9.824 13.698 -4.147 1.00 0.00 N ATOM 0 H ARG A 66 5.545 8.524 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 66 4.266 10.248 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.188 9.865 -6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.651 11.167 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.824 11.374 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.237 10.801 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.651 13.009 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.852 13.433 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 66 8.093 11.934 -3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.454 14.717 -6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.008 15.480 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.073 12.919 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.475 14.473 -4.276 1.00 0.00 H new ATOM 1064 N PRO A 67 5.252 9.799 -9.331 1.00 0.00 N ATOM 1065 CA PRO A 67 5.523 9.366 -10.713 1.00 0.00 C ATOM 1066 C PRO A 67 7.014 9.071 -10.888 1.00 0.00 C ATOM 1067 O PRO A 67 7.404 7.976 -11.239 1.00 0.00 O ATOM 1068 CB PRO A 67 5.102 10.555 -11.588 1.00 0.00 C ATOM 1069 CG PRO A 67 4.578 11.671 -10.646 1.00 0.00 C ATOM 1070 CD PRO A 67 4.689 11.156 -9.203 1.00 0.00 C ATOM 0 HA PRO A 67 4.986 8.455 -10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.946 10.916 -12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.327 10.255 -12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.161 12.583 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.544 11.919 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.334 11.797 -8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.715 11.136 -8.714 1.00 0.00 H new ATOM 1078 N LEU A 68 7.849 10.043 -10.644 1.00 0.00 N ATOM 1079 CA LEU A 68 9.315 9.824 -10.797 1.00 0.00 C ATOM 1080 C LEU A 68 9.591 9.141 -12.136 1.00 0.00 C ATOM 1081 O LEU A 68 8.740 9.082 -13.001 1.00 0.00 O ATOM 1082 CB LEU A 68 9.819 8.933 -9.660 1.00 0.00 C ATOM 1083 CG LEU A 68 10.636 9.771 -8.678 1.00 0.00 C ATOM 1084 CD1 LEU A 68 9.739 10.833 -8.040 1.00 0.00 C ATOM 1085 CD2 LEU A 68 11.202 8.860 -7.586 1.00 0.00 C ATOM 0 H LEU A 68 7.579 10.980 -10.345 1.00 0.00 H new ATOM 0 HA LEU A 68 9.830 10.784 -10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.977 8.470 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.431 8.125 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 68 11.453 10.260 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.323 11.430 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.332 11.480 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.921 10.347 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.786 9.454 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.382 8.374 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.841 8.103 -8.039 1.00 0.00 H new ATOM 1097 N SER A 69 10.774 8.622 -12.312 1.00 0.00 N ATOM 1098 CA SER A 69 11.102 7.943 -13.596 1.00 0.00 C ATOM 1099 C SER A 69 12.026 6.755 -13.325 1.00 0.00 C ATOM 1100 O SER A 69 12.173 6.314 -12.203 1.00 0.00 O ATOM 1101 CB SER A 69 11.807 8.931 -14.527 1.00 0.00 C ATOM 1102 OG SER A 69 10.993 9.161 -15.669 1.00 0.00 O ATOM 0 H SER A 69 11.526 8.639 -11.624 1.00 0.00 H new ATOM 0 HA SER A 69 10.183 7.590 -14.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.995 9.869 -14.005 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.776 8.535 -14.830 1.00 0.00 H new ATOM 0 HG SER A 69 11.441 9.795 -16.267 1.00 0.00 H new ATOM 1108 N ALA A 70 12.650 6.234 -14.346 1.00 0.00 N ATOM 1109 CA ALA A 70 13.565 5.077 -14.147 1.00 0.00 C ATOM 1110 C ALA A 70 12.779 3.898 -13.564 1.00 0.00 C ATOM 1111 O ALA A 70 12.182 3.124 -14.285 1.00 0.00 O ATOM 1112 CB ALA A 70 14.685 5.477 -13.184 1.00 0.00 C ATOM 0 H ALA A 70 12.565 6.560 -15.309 1.00 0.00 H new ATOM 0 HA ALA A 70 13.997 4.783 -15.104 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.357 4.632 -13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.243 6.315 -13.602 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.254 5.770 -12.227 1.00 0.00 H new ATOM 1118 N THR A 71 12.771 3.757 -12.264 1.00 0.00 N ATOM 1119 CA THR A 71 12.019 2.629 -11.643 1.00 0.00 C ATOM 1120 C THR A 71 12.379 2.523 -10.159 1.00 0.00 C ATOM 1121 O THR A 71 13.469 2.123 -9.802 1.00 0.00 O ATOM 1122 CB THR A 71 12.381 1.316 -12.348 1.00 0.00 C ATOM 1123 OG1 THR A 71 11.954 0.222 -11.547 1.00 0.00 O ATOM 1124 CG2 THR A 71 13.895 1.237 -12.557 1.00 0.00 C ATOM 0 H THR A 71 13.252 4.373 -11.608 1.00 0.00 H new ATOM 0 HA THR A 71 10.950 2.814 -11.745 1.00 0.00 H new ATOM 0 HB THR A 71 11.885 1.278 -13.318 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.182 -0.620 -11.994 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.145 0.302 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.222 2.076 -13.171 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.398 1.277 -11.591 1.00 0.00 H new ATOM 1132 N LYS A 72 11.468 2.874 -9.292 1.00 0.00 N ATOM 1133 CA LYS A 72 11.755 2.789 -7.832 1.00 0.00 C ATOM 1134 C LYS A 72 10.539 2.199 -7.113 1.00 0.00 C ATOM 1135 O LYS A 72 10.664 1.343 -6.260 1.00 0.00 O ATOM 1136 CB LYS A 72 12.053 4.188 -7.290 1.00 0.00 C ATOM 1137 CG LYS A 72 13.331 4.716 -7.942 1.00 0.00 C ATOM 1138 CD LYS A 72 13.567 6.167 -7.516 1.00 0.00 C ATOM 1139 CE LYS A 72 15.067 6.403 -7.330 1.00 0.00 C ATOM 1140 NZ LYS A 72 15.296 7.245 -6.121 1.00 0.00 N ATOM 0 H LYS A 72 10.537 3.216 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 72 12.620 2.148 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.219 4.858 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.170 4.154 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.181 4.099 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.249 4.654 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.171 6.848 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.037 6.376 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.585 5.450 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.480 6.894 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.316 7.404 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.815 8.160 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.917 6.760 -5.283 1.00 0.00 H new ATOM 1154 N ARG A 73 9.362 2.644 -7.462 1.00 0.00 N ATOM 1155 CA ARG A 73 8.130 2.105 -6.814 1.00 0.00 C ATOM 1156 C ARG A 73 8.005 2.643 -5.385 1.00 0.00 C ATOM 1157 O ARG A 73 8.969 2.714 -4.647 1.00 0.00 O ATOM 1158 CB ARG A 73 8.194 0.576 -6.783 1.00 0.00 C ATOM 1159 CG ARG A 73 7.051 0.000 -7.622 1.00 0.00 C ATOM 1160 CD ARG A 73 7.367 -1.449 -7.995 1.00 0.00 C ATOM 1161 NE ARG A 73 6.909 -1.713 -9.388 1.00 0.00 N ATOM 1162 CZ ARG A 73 7.319 -2.776 -10.024 1.00 0.00 C ATOM 1163 NH1 ARG A 73 8.143 -3.610 -9.449 1.00 0.00 N ATOM 1164 NH2 ARG A 73 6.907 -3.003 -11.241 1.00 0.00 N ATOM 0 H ARG A 73 9.199 3.360 -8.170 1.00 0.00 H new ATOM 0 HA ARG A 73 7.260 2.423 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.153 0.234 -7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.121 0.219 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.117 0.046 -7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.912 0.596 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.438 -1.632 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.873 -2.130 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 73 6.273 -1.061 -9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.469 -3.432 -8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.461 -4.440 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.266 -2.350 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.226 -3.833 -11.741 1.00 0.00 H new ATOM 1178 N PHE A 74 6.819 3.024 -4.995 1.00 0.00 N ATOM 1179 CA PHE A 74 6.611 3.562 -3.618 1.00 0.00 C ATOM 1180 C PHE A 74 7.382 2.689 -2.595 1.00 0.00 C ATOM 1181 O PHE A 74 7.263 1.484 -2.584 1.00 0.00 O ATOM 1182 CB PHE A 74 5.100 3.610 -3.316 1.00 0.00 C ATOM 1183 CG PHE A 74 4.390 2.502 -4.076 1.00 0.00 C ATOM 1184 CD1 PHE A 74 4.678 1.150 -3.827 1.00 0.00 C ATOM 1185 CD2 PHE A 74 3.446 2.839 -5.054 1.00 0.00 C ATOM 1186 CE1 PHE A 74 4.021 0.148 -4.550 1.00 0.00 C ATOM 1187 CE2 PHE A 74 2.792 1.835 -5.778 1.00 0.00 C ATOM 1188 CZ PHE A 74 3.079 0.490 -5.525 1.00 0.00 C ATOM 0 H PHE A 74 5.980 2.986 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 74 7.002 4.577 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.930 3.497 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.693 4.580 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.407 0.883 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.222 3.877 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.242 -0.891 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.066 2.099 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.573 -0.284 -6.083 1.00 0.00 H new ATOM 1198 N ARG A 75 8.204 3.290 -1.755 1.00 0.00 N ATOM 1199 CA ARG A 75 9.002 2.479 -0.759 1.00 0.00 C ATOM 1200 C ARG A 75 8.858 3.052 0.669 1.00 0.00 C ATOM 1201 O ARG A 75 7.856 3.624 0.997 1.00 0.00 O ATOM 1202 CB ARG A 75 10.478 2.510 -1.165 1.00 0.00 C ATOM 1203 CG ARG A 75 11.082 1.112 -1.010 1.00 0.00 C ATOM 1204 CD ARG A 75 12.468 1.218 -0.372 1.00 0.00 C ATOM 1205 NE ARG A 75 13.116 2.493 -0.795 1.00 0.00 N ATOM 1206 CZ ARG A 75 14.176 2.932 -0.167 1.00 0.00 C ATOM 1207 NH1 ARG A 75 14.659 2.270 0.849 1.00 0.00 N ATOM 1208 NH2 ARG A 75 14.748 4.040 -0.552 1.00 0.00 N ATOM 0 H ARG A 75 8.357 4.298 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 75 8.624 1.457 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.575 2.847 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.021 3.223 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.433 0.491 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.155 0.627 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.383 1.184 0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 75 13.083 0.369 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 75 12.731 3.024 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 75 14.210 1.407 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.486 2.615 1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.368 4.562 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.575 4.384 -0.063 1.00 0.00 H new ATOM 1222 N LEU A 76 9.881 2.905 1.502 1.00 0.00 N ATOM 1223 CA LEU A 76 9.860 3.435 2.928 1.00 0.00 C ATOM 1224 C LEU A 76 10.829 2.638 3.789 1.00 0.00 C ATOM 1225 O LEU A 76 11.497 3.182 4.643 1.00 0.00 O ATOM 1226 CB LEU A 76 8.508 3.271 3.611 1.00 0.00 C ATOM 1227 CG LEU A 76 8.606 3.678 5.083 1.00 0.00 C ATOM 1228 CD1 LEU A 76 7.649 4.830 5.369 1.00 0.00 C ATOM 1229 CD2 LEU A 76 8.216 2.478 5.949 1.00 0.00 C ATOM 0 H LEU A 76 10.748 2.430 1.249 1.00 0.00 H new ATOM 0 HA LEU A 76 10.115 4.491 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.761 3.883 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.177 2.235 3.534 1.00 0.00 H new ATOM 0 HG LEU A 76 9.625 3.995 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.725 5.114 6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.909 5.683 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.628 4.518 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.281 2.753 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.195 2.177 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.894 1.649 5.748 1.00 0.00 H new ATOM 1241 N VAL A 77 10.880 1.353 3.567 1.00 0.00 N ATOM 1242 CA VAL A 77 11.754 0.444 4.366 1.00 0.00 C ATOM 1243 C VAL A 77 11.037 -0.890 4.570 1.00 0.00 C ATOM 1244 O VAL A 77 11.685 -1.911 4.575 1.00 0.00 O ATOM 1245 CB VAL A 77 12.062 1.020 5.756 1.00 0.00 C ATOM 1246 CG1 VAL A 77 10.767 1.421 6.464 1.00 0.00 C ATOM 1247 CG2 VAL A 77 12.745 -0.057 6.589 1.00 0.00 C ATOM 0 H VAL A 77 10.337 0.881 2.844 1.00 0.00 H new ATOM 0 HA VAL A 77 12.687 0.323 3.816 1.00 0.00 H new ATOM 0 HB VAL A 77 12.702 1.896 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.001 1.827 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.248 2.176 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.127 0.546 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.970 0.338 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 77 12.084 -0.918 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.671 -0.362 6.101 1.00 0.00 H new ATOM 1257 N GLU A 78 9.721 -0.910 4.711 1.00 0.00 N ATOM 1258 CA GLU A 78 9.013 -2.194 4.871 1.00 0.00 C ATOM 1259 C GLU A 78 8.967 -2.638 6.325 1.00 0.00 C ATOM 1260 O GLU A 78 9.362 -1.947 7.242 1.00 0.00 O ATOM 1261 CB GLU A 78 9.682 -3.282 3.984 1.00 0.00 C ATOM 1262 CG GLU A 78 10.672 -4.161 4.776 1.00 0.00 C ATOM 1263 CD GLU A 78 10.148 -5.595 4.831 1.00 0.00 C ATOM 1264 OE1 GLU A 78 10.354 -6.316 3.867 1.00 0.00 O ATOM 1265 OE2 GLU A 78 9.552 -5.951 5.833 1.00 0.00 O ATOM 0 H GLU A 78 9.125 -0.082 4.720 1.00 0.00 H new ATOM 0 HA GLU A 78 7.982 -2.052 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.910 -3.914 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.207 -2.801 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.654 -4.139 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.796 -3.769 5.785 1.00 0.00 H new ATOM 1272 N ILE A 79 8.476 -3.820 6.480 1.00 0.00 N ATOM 1273 CA ILE A 79 8.332 -4.484 7.808 1.00 0.00 C ATOM 1274 C ILE A 79 7.247 -5.577 7.721 1.00 0.00 C ATOM 1275 O ILE A 79 7.416 -6.490 6.954 1.00 0.00 O ATOM 1276 CB ILE A 79 8.048 -3.476 8.943 1.00 0.00 C ATOM 1277 CG1 ILE A 79 7.885 -4.235 10.261 1.00 0.00 C ATOM 1278 CG2 ILE A 79 6.779 -2.673 8.669 1.00 0.00 C ATOM 1279 CD1 ILE A 79 9.107 -3.983 11.147 1.00 0.00 C ATOM 0 H ILE A 79 8.148 -4.392 5.701 1.00 0.00 H new ATOM 0 HA ILE A 79 9.283 -4.952 8.063 1.00 0.00 H new ATOM 0 HB ILE A 79 8.887 -2.783 9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.979 -3.909 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.776 -5.302 10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.608 -1.973 9.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.892 -2.121 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.930 -3.351 8.588 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.993 -4.523 12.087 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.005 -4.330 10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.195 -2.916 11.350 1.00 0.00 H new ATOM 1291 N VAL A 80 6.138 -5.506 8.431 1.00 0.00 N ATOM 1292 CA VAL A 80 5.104 -6.609 8.344 1.00 0.00 C ATOM 1293 C VAL A 80 4.360 -6.739 9.674 1.00 0.00 C ATOM 1294 O VAL A 80 3.174 -7.016 9.684 1.00 0.00 O ATOM 1295 CB VAL A 80 5.796 -7.965 8.073 1.00 0.00 C ATOM 1296 CG1 VAL A 80 7.065 -8.077 8.923 1.00 0.00 C ATOM 1297 CG2 VAL A 80 4.859 -9.127 8.438 1.00 0.00 C ATOM 0 H VAL A 80 5.902 -4.741 9.063 1.00 0.00 H new ATOM 0 HA VAL A 80 4.414 -6.359 7.538 1.00 0.00 H new ATOM 0 HB VAL A 80 6.046 -8.017 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.550 -9.034 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.747 -7.266 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.803 -8.011 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.361 -10.074 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.599 -9.066 9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.952 -9.065 7.837 1.00 0.00 H new ATOM 1307 N GLU A 81 5.014 -6.538 10.783 1.00 0.00 N ATOM 1308 CA GLU A 81 4.293 -6.655 12.081 1.00 0.00 C ATOM 1309 C GLU A 81 5.286 -6.631 13.245 1.00 0.00 C ATOM 1310 O GLU A 81 6.454 -6.344 13.078 1.00 0.00 O ATOM 1311 CB GLU A 81 3.512 -7.968 12.112 1.00 0.00 C ATOM 1312 CG GLU A 81 2.012 -7.668 12.131 1.00 0.00 C ATOM 1313 CD GLU A 81 1.340 -8.489 13.232 1.00 0.00 C ATOM 1314 OE1 GLU A 81 0.965 -9.617 12.958 1.00 0.00 O ATOM 1315 OE2 GLU A 81 1.214 -7.977 14.331 1.00 0.00 O ATOM 0 H GLU A 81 6.004 -6.301 10.848 1.00 0.00 H new ATOM 0 HA GLU A 81 3.608 -5.813 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.762 -8.573 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.789 -8.548 12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.845 -6.605 12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.570 -7.907 11.164 1.00 0.00 H new ATOM 1322 N LYS A 82 4.818 -6.933 14.425 1.00 0.00 N ATOM 1323 CA LYS A 82 5.715 -6.931 15.614 1.00 0.00 C ATOM 1324 C LYS A 82 5.905 -8.366 16.114 1.00 0.00 C ATOM 1325 O LYS A 82 4.977 -9.150 16.147 1.00 0.00 O ATOM 1326 CB LYS A 82 5.084 -6.084 16.721 1.00 0.00 C ATOM 1327 CG LYS A 82 6.043 -5.989 17.908 1.00 0.00 C ATOM 1328 CD LYS A 82 5.238 -5.876 19.205 1.00 0.00 C ATOM 1329 CE LYS A 82 4.337 -7.104 19.356 1.00 0.00 C ATOM 1330 NZ LYS A 82 4.111 -7.378 20.803 1.00 0.00 N ATOM 0 H LYS A 82 3.848 -7.182 14.617 1.00 0.00 H new ATOM 0 HA LYS A 82 6.684 -6.513 15.340 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.857 -5.087 16.344 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.140 -6.528 17.038 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.686 -6.869 17.942 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.694 -5.122 17.795 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.912 -5.799 20.058 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.635 -4.968 19.193 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.385 -6.934 18.854 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.799 -7.968 18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.499 -8.212 20.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.023 -7.558 21.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.653 -6.555 21.245 1.00 0.00 H new ATOM 1344 N ALA A 83 7.102 -8.715 16.503 1.00 0.00 N ATOM 1345 CA ALA A 83 7.351 -10.097 17.002 1.00 0.00 C ATOM 1346 C ALA A 83 7.260 -11.090 15.840 1.00 0.00 C ATOM 1347 O ALA A 83 6.189 -11.374 15.355 1.00 0.00 O ATOM 1348 CB ALA A 83 6.303 -10.451 18.059 1.00 0.00 C ATOM 0 H ALA A 83 7.918 -8.102 16.497 1.00 0.00 H new ATOM 0 HA ALA A 83 8.347 -10.149 17.442 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.483 -11.462 18.426 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.370 -9.747 18.888 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.308 -10.397 17.617 1.00 0.00 H new ATOM 1354 N VAL A 84 8.390 -11.611 15.416 1.00 0.00 N ATOM 1355 CA VAL A 84 8.462 -12.589 14.291 1.00 0.00 C ATOM 1356 C VAL A 84 9.874 -12.466 13.690 1.00 0.00 C ATOM 1357 O VAL A 84 10.812 -12.143 14.387 1.00 0.00 O ATOM 1358 CB VAL A 84 7.394 -12.284 13.213 1.00 0.00 C ATOM 1359 CG1 VAL A 84 7.860 -11.139 12.309 1.00 0.00 C ATOM 1360 CG2 VAL A 84 7.145 -13.540 12.368 1.00 0.00 C ATOM 0 H VAL A 84 9.297 -11.386 15.824 1.00 0.00 H new ATOM 0 HA VAL A 84 8.268 -13.599 14.652 1.00 0.00 H new ATOM 0 HB VAL A 84 6.469 -11.986 13.707 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.098 -10.937 11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.023 -10.244 12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.791 -11.420 11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.393 -13.325 11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.073 -13.842 11.883 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.792 -14.347 13.010 1.00 0.00 H new ATOM 1370 N ARG A 85 10.024 -12.726 12.424 1.00 0.00 N ATOM 1371 CA ARG A 85 11.365 -12.636 11.759 1.00 0.00 C ATOM 1372 C ARG A 85 12.089 -13.978 11.884 1.00 0.00 C ATOM 1373 O ARG A 85 12.926 -14.097 12.766 1.00 0.00 O ATOM 1374 CB ARG A 85 12.222 -11.530 12.389 1.00 0.00 C ATOM 1375 CG ARG A 85 11.388 -10.258 12.547 1.00 0.00 C ATOM 1376 CD ARG A 85 11.998 -9.138 11.700 1.00 0.00 C ATOM 1377 NE ARG A 85 11.394 -7.832 12.093 1.00 0.00 N ATOM 1378 CZ ARG A 85 11.958 -6.710 11.731 1.00 0.00 C ATOM 1379 NH1 ARG A 85 13.050 -6.724 11.015 1.00 0.00 N ATOM 1380 NH2 ARG A 85 11.427 -5.572 12.084 1.00 0.00 N ATOM 1381 OXT ARG A 85 11.795 -14.864 11.100 1.00 0.00 O ATOM 0 H ARG A 85 9.263 -13.003 11.804 1.00 0.00 H new ATOM 0 HA ARG A 85 11.211 -12.393 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.595 -11.855 13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.092 -11.330 11.764 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.360 -10.444 12.237 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.356 -9.959 13.595 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.078 -9.108 11.841 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.820 -9.330 10.642 1.00 0.00 H new ATOM 0 HE ARG A 85 10.537 -7.815 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.466 -7.613 10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.487 -5.846 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.573 -5.559 12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.866 -4.695 11.802 1.00 0.00 H new TER 1395 ARG A 85