USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 160:sc= -0.895 (180deg=-2.16!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 ASN : amide:sc= -0.0193 K(o=-0.019,f=-6.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.229) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.1) USER MOD Single : A 38 GLN :FLIP amide:sc= -5.84! C(o=-6.4!,f=-5.8!) USER MOD Single : A 40 TYR OH : rot 130:sc= -1.14 USER MOD Single : A 42 GLN : amide:sc= -0.341 K(o=-0.34,f=-3.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 90:sc= 0.212 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HE2:sc= -0.652 K(o=-0.65,f=-1.6) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= -3.13! (180deg=-3.16!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 0.0716 (180deg=0) USER MOD Single : A 82 TYR OH : rot 60:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.4! C(o=-2.4!,f=-10!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.018 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.850 -14.896 -3.337 1.00 0.00 N ATOM 60 CA GLY A 7 -5.609 -13.484 -3.092 1.00 0.00 C ATOM 61 C GLY A 7 -5.623 -12.690 -4.400 1.00 0.00 C ATOM 62 O GLY A 7 -6.128 -13.169 -5.415 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.371 -13.093 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.647 -13.356 -2.595 1.00 0.00 H new ATOM 66 N MET A 8 -5.064 -11.491 -4.334 1.00 0.00 N ATOM 67 CA MET A 8 -5.007 -10.627 -5.501 1.00 0.00 C ATOM 68 C MET A 8 -3.738 -9.772 -5.488 1.00 0.00 C ATOM 69 O MET A 8 -3.124 -9.581 -4.439 1.00 0.00 O ATOM 70 CB MET A 8 -6.236 -9.716 -5.523 1.00 0.00 C ATOM 71 CG MET A 8 -6.465 -9.072 -4.154 1.00 0.00 C ATOM 72 SD MET A 8 -8.178 -9.238 -3.681 1.00 0.00 S ATOM 73 CE MET A 8 -8.874 -7.833 -4.534 1.00 0.00 C ATOM 0 H MET A 8 -4.646 -11.097 -3.491 1.00 0.00 H new ATOM 0 HA MET A 8 -4.992 -11.253 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.104 -8.940 -6.277 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.116 -10.293 -5.809 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.826 -9.545 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.189 -8.018 -4.188 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.946 -7.787 -4.344 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.402 -6.919 -4.174 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.699 -7.934 -5.605 1.00 0.00 H new ATOM 83 N THR A 9 -3.382 -9.280 -6.666 1.00 0.00 N ATOM 84 CA THR A 9 -2.197 -8.450 -6.803 1.00 0.00 C ATOM 85 C THR A 9 -2.591 -7.010 -7.138 1.00 0.00 C ATOM 86 O THR A 9 -2.856 -6.688 -8.296 1.00 0.00 O ATOM 87 CB THR A 9 -1.289 -9.092 -7.854 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.519 -10.037 -7.116 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.250 -8.114 -8.406 1.00 0.00 C ATOM 0 H THR A 9 -3.893 -9.440 -7.534 1.00 0.00 H new ATOM 0 HA THR A 9 -1.643 -8.393 -5.866 1.00 0.00 H new ATOM 0 HB THR A 9 -1.897 -9.476 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.097 -10.501 -7.721 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.368 -8.620 -9.148 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.757 -7.269 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.380 -7.755 -7.592 1.00 0.00 H new ATOM 97 N VAL A 10 -2.618 -6.182 -6.105 1.00 0.00 N ATOM 98 CA VAL A 10 -2.975 -4.783 -6.275 1.00 0.00 C ATOM 99 C VAL A 10 -1.715 -3.975 -6.591 1.00 0.00 C ATOM 100 O VAL A 10 -0.810 -3.880 -5.763 1.00 0.00 O ATOM 101 CB VAL A 10 -3.715 -4.277 -5.035 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.977 -2.773 -5.129 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.018 -5.049 -4.822 1.00 0.00 C ATOM 0 H VAL A 10 -2.398 -6.452 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.658 -4.662 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.077 -4.452 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.504 -2.439 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.028 -2.243 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.586 -2.564 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.525 -4.670 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.663 -4.920 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.796 -6.108 -4.689 1.00 0.00 H new ATOM 113 N ARG A 11 -1.697 -3.412 -7.790 1.00 0.00 N ATOM 114 CA ARG A 11 -0.563 -2.614 -8.226 1.00 0.00 C ATOM 115 C ARG A 11 -0.702 -1.176 -7.724 1.00 0.00 C ATOM 116 O ARG A 11 -1.739 -0.543 -7.922 1.00 0.00 O ATOM 117 CB ARG A 11 -0.449 -2.606 -9.751 1.00 0.00 C ATOM 118 CG ARG A 11 0.238 -3.877 -10.256 1.00 0.00 C ATOM 119 CD ARG A 11 0.440 -3.825 -11.772 1.00 0.00 C ATOM 120 NE ARG A 11 1.506 -4.771 -12.173 1.00 0.00 N ATOM 121 CZ ARG A 11 1.885 -4.982 -13.440 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.289 -4.316 -14.438 1.00 0.00 N ATOM 123 NH2 ARG A 11 2.861 -5.860 -13.710 1.00 0.00 N ATOM 0 H ARG A 11 -2.450 -3.492 -8.474 1.00 0.00 H new ATOM 0 HA ARG A 11 0.338 -3.063 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.442 -2.525 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.116 -1.731 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.202 -3.995 -9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.363 -4.748 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.491 -4.076 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.706 -2.813 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 11 1.982 -5.295 -11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.546 -3.648 -14.233 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.578 -4.477 -15.403 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.315 -6.367 -12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.150 -6.021 -14.675 1.00 0.00 H new ATOM 137 N VAL A 12 0.357 -0.700 -7.085 1.00 0.00 N ATOM 138 CA VAL A 12 0.365 0.652 -6.553 1.00 0.00 C ATOM 139 C VAL A 12 1.079 1.578 -7.540 1.00 0.00 C ATOM 140 O VAL A 12 2.220 1.324 -7.922 1.00 0.00 O ATOM 141 CB VAL A 12 0.997 0.662 -5.160 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.577 2.040 -4.831 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.013 0.225 -4.097 1.00 0.00 C ATOM 0 H VAL A 12 1.215 -1.227 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.653 1.023 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 12 1.817 -0.056 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.020 2.020 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.342 2.297 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.782 2.785 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.462 0.241 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.863 0.908 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.358 -0.785 -4.317 1.00 0.00 H new ATOM 153 N CYS A 13 0.377 2.634 -7.925 1.00 0.00 N ATOM 154 CA CYS A 13 0.929 3.600 -8.859 1.00 0.00 C ATOM 155 C CYS A 13 1.774 4.602 -8.072 1.00 0.00 C ATOM 156 O CYS A 13 1.308 5.693 -7.746 1.00 0.00 O ATOM 157 CB CYS A 13 -0.168 4.292 -9.671 1.00 0.00 C ATOM 158 SG CYS A 13 0.518 4.912 -11.250 1.00 0.00 S ATOM 0 H CYS A 13 -0.570 2.842 -7.607 1.00 0.00 H new ATOM 0 HA CYS A 13 1.559 3.087 -9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.981 3.594 -9.868 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.589 5.119 -9.099 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.422 5.496 -11.932 1.00 0.00 H new ATOM 164 N LYS A 14 3.003 4.196 -7.788 1.00 0.00 N ATOM 165 CA LYS A 14 3.918 5.045 -7.044 1.00 0.00 C ATOM 166 C LYS A 14 3.761 6.492 -7.514 1.00 0.00 C ATOM 167 O LYS A 14 3.084 7.289 -6.866 1.00 0.00 O ATOM 168 CB LYS A 14 5.350 4.515 -7.153 1.00 0.00 C ATOM 169 CG LYS A 14 6.002 4.409 -5.773 1.00 0.00 C ATOM 170 CD LYS A 14 7.087 5.473 -5.597 1.00 0.00 C ATOM 171 CE LYS A 14 8.419 5.001 -6.183 1.00 0.00 C ATOM 172 NZ LYS A 14 9.389 4.716 -5.102 1.00 0.00 N ATOM 0 H LYS A 14 3.386 3.291 -8.060 1.00 0.00 H new ATOM 0 HA LYS A 14 3.676 5.026 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.344 3.536 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.939 5.177 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.244 4.526 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.436 3.417 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.778 6.397 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.211 5.699 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.262 4.105 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.821 5.765 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.288 4.397 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.552 5.579 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.010 3.971 -4.483 1.00 0.00 H new ATOM 237 N VAL A 19 6.078 0.441 -9.993 1.00 0.00 N ATOM 238 CA VAL A 19 4.888 -0.047 -9.318 1.00 0.00 C ATOM 239 C VAL A 19 5.270 -1.207 -8.397 1.00 0.00 C ATOM 240 O VAL A 19 6.179 -1.977 -8.705 1.00 0.00 O ATOM 241 CB VAL A 19 3.821 -0.427 -10.347 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.712 -1.262 -9.704 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.247 0.818 -11.026 1.00 0.00 C ATOM 0 HA VAL A 19 4.455 0.735 -8.694 1.00 0.00 H new ATOM 0 HB VAL A 19 4.297 -1.037 -11.114 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.967 -1.519 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.138 -2.175 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.240 -0.688 -8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.491 0.520 -11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.794 1.466 -10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.047 1.357 -11.534 1.00 0.00 H new ATOM 253 N MET A 20 4.556 -1.297 -7.284 1.00 0.00 N ATOM 254 CA MET A 20 4.809 -2.351 -6.316 1.00 0.00 C ATOM 255 C MET A 20 3.622 -3.312 -6.229 1.00 0.00 C ATOM 256 O MET A 20 2.502 -2.897 -5.935 1.00 0.00 O ATOM 257 CB MET A 20 5.065 -1.730 -4.941 1.00 0.00 C ATOM 258 CG MET A 20 6.512 -1.249 -4.817 1.00 0.00 C ATOM 259 SD MET A 20 6.639 -0.021 -3.528 1.00 0.00 S ATOM 260 CE MET A 20 5.386 -0.618 -2.406 1.00 0.00 C ATOM 0 H MET A 20 3.803 -0.657 -7.031 1.00 0.00 H new ATOM 0 HA MET A 20 5.685 -2.914 -6.640 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.385 -0.893 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.854 -2.463 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.166 -2.092 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.847 -0.829 -5.765 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.561 -0.205 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.403 -0.308 -2.760 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.428 -1.706 -2.359 1.00 0.00 H new ATOM 270 N PRO A 21 3.915 -4.613 -6.498 1.00 0.00 N ATOM 271 CA PRO A 21 2.885 -5.637 -6.453 1.00 0.00 C ATOM 272 C PRO A 21 2.517 -5.981 -5.009 1.00 0.00 C ATOM 273 O PRO A 21 3.284 -6.640 -4.309 1.00 0.00 O ATOM 274 CB PRO A 21 3.468 -6.815 -7.215 1.00 0.00 C ATOM 275 CG PRO A 21 4.970 -6.583 -7.256 1.00 0.00 C ATOM 276 CD PRO A 21 5.230 -5.141 -6.849 1.00 0.00 C ATOM 0 HA PRO A 21 1.948 -5.312 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.232 -7.756 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.054 -6.872 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.481 -7.269 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.359 -6.773 -8.256 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.917 -5.085 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.680 -4.574 -7.664 1.00 0.00 H new ATOM 284 N VAL A 22 1.341 -5.521 -4.605 1.00 0.00 N ATOM 285 CA VAL A 22 0.862 -5.773 -3.257 1.00 0.00 C ATOM 286 C VAL A 22 -0.132 -6.935 -3.282 1.00 0.00 C ATOM 287 O VAL A 22 -0.825 -7.142 -4.277 1.00 0.00 O ATOM 288 CB VAL A 22 0.270 -4.492 -2.664 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.289 -4.744 -1.263 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.306 -3.366 -2.648 1.00 0.00 C ATOM 0 H VAL A 22 0.706 -4.975 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 22 1.687 -6.065 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.556 -4.178 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.703 -3.818 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.073 -5.500 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.510 -5.094 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.860 -2.467 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.162 -3.668 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.635 -3.160 -3.666 1.00 0.00 H new ATOM 300 N VAL A 23 -0.172 -7.662 -2.175 1.00 0.00 N ATOM 301 CA VAL A 23 -1.070 -8.799 -2.058 1.00 0.00 C ATOM 302 C VAL A 23 -2.039 -8.560 -0.898 1.00 0.00 C ATOM 303 O VAL A 23 -1.677 -7.936 0.099 1.00 0.00 O ATOM 304 CB VAL A 23 -0.263 -10.090 -1.908 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.527 -10.093 -0.598 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.171 -11.318 -2.003 1.00 0.00 C ATOM 0 H VAL A 23 0.403 -7.486 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.667 -8.909 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 23 0.451 -10.137 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.092 -11.022 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.215 -9.248 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.162 -10.012 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.573 -12.222 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.919 -11.280 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.669 -11.328 -2.972 1.00 0.00 H new ATOM 316 N VAL A 24 -3.250 -9.069 -1.067 1.00 0.00 N ATOM 317 CA VAL A 24 -4.274 -8.918 -0.046 1.00 0.00 C ATOM 318 C VAL A 24 -5.294 -10.050 -0.184 1.00 0.00 C ATOM 319 O VAL A 24 -5.295 -10.773 -1.178 1.00 0.00 O ATOM 320 CB VAL A 24 -4.905 -7.528 -0.139 1.00 0.00 C ATOM 321 CG1 VAL A 24 -3.941 -6.453 0.365 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.363 -7.228 -1.568 1.00 0.00 C ATOM 0 H VAL A 24 -3.546 -9.586 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.837 -8.994 0.949 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.785 -7.516 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.415 -5.474 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.686 -6.652 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.034 -6.466 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.808 -6.234 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.506 -7.268 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.101 -7.968 -1.876 1.00 0.00 H new ATOM 332 N VAL A 25 -6.140 -10.167 0.830 1.00 0.00 N ATOM 333 CA VAL A 25 -7.164 -11.197 0.834 1.00 0.00 C ATOM 334 C VAL A 25 -8.201 -10.886 -0.247 1.00 0.00 C ATOM 335 O VAL A 25 -8.512 -9.722 -0.497 1.00 0.00 O ATOM 336 CB VAL A 25 -7.777 -11.320 2.231 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.772 -11.918 3.219 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.293 -9.967 2.725 1.00 0.00 C ATOM 0 H VAL A 25 -6.137 -9.565 1.654 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.729 -12.168 0.597 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.628 -11.998 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.232 -11.995 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.474 -12.910 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.893 -11.276 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.723 -10.083 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.468 -9.256 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.056 -9.597 2.040 1.00 0.00 H new ATOM 348 N GLN A 26 -8.707 -11.946 -0.860 1.00 0.00 N ATOM 349 CA GLN A 26 -9.701 -11.800 -1.909 1.00 0.00 C ATOM 350 C GLN A 26 -10.753 -10.765 -1.503 1.00 0.00 C ATOM 351 O GLN A 26 -11.376 -10.139 -2.359 1.00 0.00 O ATOM 352 CB GLN A 26 -10.353 -13.144 -2.237 1.00 0.00 C ATOM 353 CG GLN A 26 -9.775 -13.734 -3.525 1.00 0.00 C ATOM 354 CD GLN A 26 -10.630 -14.900 -4.027 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.409 -15.490 -3.298 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.440 -15.197 -5.310 1.00 0.00 N ATOM 0 H GLN A 26 -8.447 -12.910 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.200 -11.447 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.196 -13.839 -1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.430 -13.013 -2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.722 -12.961 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.756 -14.076 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.771 -14.662 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.963 -15.960 -5.740 1.00 0.00 H new ATOM 365 N ASN A 27 -10.919 -10.618 -0.197 1.00 0.00 N ATOM 366 CA ASN A 27 -11.884 -9.670 0.333 1.00 0.00 C ATOM 367 C ASN A 27 -11.197 -8.770 1.362 1.00 0.00 C ATOM 368 O ASN A 27 -11.535 -8.802 2.544 1.00 0.00 O ATOM 369 CB ASN A 27 -13.038 -10.392 1.032 1.00 0.00 C ATOM 370 CG ASN A 27 -12.520 -11.536 1.906 1.00 0.00 C ATOM 371 OD1 ASN A 27 -11.327 -11.755 2.045 1.00 0.00 O ATOM 372 ND2 ASN A 27 -13.479 -12.252 2.485 1.00 0.00 N ATOM 0 H ASN A 27 -10.401 -11.140 0.510 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.275 -9.086 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.596 -9.685 1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.731 -10.784 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.235 -13.038 3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.458 -12.015 2.327 1.00 0.00 H new ATOM 379 N ALA A 28 -10.245 -7.988 0.874 1.00 0.00 N ATOM 380 CA ALA A 28 -9.507 -7.081 1.736 1.00 0.00 C ATOM 381 C ALA A 28 -10.209 -5.721 1.758 1.00 0.00 C ATOM 382 O ALA A 28 -11.206 -5.522 1.066 1.00 0.00 O ATOM 383 CB ALA A 28 -8.059 -6.982 1.253 1.00 0.00 C ATOM 0 H ALA A 28 -9.968 -7.964 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.484 -7.457 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.505 -6.301 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.597 -7.969 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.042 -6.605 0.230 1.00 0.00 H new ATOM 389 N THR A 29 -9.660 -4.821 2.560 1.00 0.00 N ATOM 390 CA THR A 29 -10.221 -3.486 2.681 1.00 0.00 C ATOM 391 C THR A 29 -9.124 -2.431 2.528 1.00 0.00 C ATOM 392 O THR A 29 -7.965 -2.765 2.288 1.00 0.00 O ATOM 393 CB THR A 29 -10.961 -3.403 4.018 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.927 -3.494 4.994 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.832 -4.634 4.282 1.00 0.00 C ATOM 0 H THR A 29 -8.833 -4.990 3.132 1.00 0.00 H new ATOM 0 HA THR A 29 -10.937 -3.284 1.884 1.00 0.00 H new ATOM 0 HB THR A 29 -11.583 -2.508 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.319 -3.447 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.335 -4.525 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.576 -4.729 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.206 -5.526 4.300 1.00 0.00 H new ATOM 403 N VAL A 30 -9.529 -1.177 2.673 1.00 0.00 N ATOM 404 CA VAL A 30 -8.594 -0.071 2.554 1.00 0.00 C ATOM 405 C VAL A 30 -7.467 -0.249 3.573 1.00 0.00 C ATOM 406 O VAL A 30 -6.296 -0.057 3.248 1.00 0.00 O ATOM 407 CB VAL A 30 -9.336 1.259 2.709 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.387 2.442 2.508 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.524 1.339 1.748 1.00 0.00 C ATOM 0 H VAL A 30 -10.491 -0.903 2.872 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.138 -0.061 1.564 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.724 1.310 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.939 3.375 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.589 2.398 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.956 2.397 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.034 2.294 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.168 1.255 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.218 0.525 1.959 1.00 0.00 H new ATOM 419 N LEU A 31 -7.860 -0.613 4.785 1.00 0.00 N ATOM 420 CA LEU A 31 -6.897 -0.819 5.853 1.00 0.00 C ATOM 421 C LEU A 31 -5.874 -1.869 5.416 1.00 0.00 C ATOM 422 O LEU A 31 -4.673 -1.602 5.399 1.00 0.00 O ATOM 423 CB LEU A 31 -7.613 -1.165 7.161 1.00 0.00 C ATOM 424 CG LEU A 31 -6.791 -0.996 8.440 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.984 0.303 8.406 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.683 -1.084 9.680 1.00 0.00 C ATOM 0 H LEU A 31 -8.832 -0.770 5.051 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.346 0.100 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.504 -0.542 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.951 -2.200 7.104 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.076 -1.817 8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.409 0.398 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.304 0.287 7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.663 1.151 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.074 -0.961 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.437 -0.298 9.643 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.174 -2.057 9.706 1.00 0.00 H new ATOM 438 N ASP A 32 -6.386 -3.042 5.074 1.00 0.00 N ATOM 439 CA ASP A 32 -5.532 -4.134 4.638 1.00 0.00 C ATOM 440 C ASP A 32 -4.517 -3.607 3.621 1.00 0.00 C ATOM 441 O ASP A 32 -3.310 -3.729 3.823 1.00 0.00 O ATOM 442 CB ASP A 32 -6.349 -5.237 3.962 1.00 0.00 C ATOM 443 CG ASP A 32 -5.695 -6.619 3.964 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.683 -6.769 3.245 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.221 -7.496 4.684 1.00 0.00 O ATOM 0 H ASP A 32 -7.382 -3.260 5.090 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.033 -4.542 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.316 -5.309 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.542 -4.945 2.930 1.00 0.00 H new ATOM 450 N LEU A 33 -5.044 -3.032 2.550 1.00 0.00 N ATOM 451 CA LEU A 33 -4.200 -2.486 1.502 1.00 0.00 C ATOM 452 C LEU A 33 -2.992 -1.792 2.135 1.00 0.00 C ATOM 453 O LEU A 33 -1.858 -2.240 1.973 1.00 0.00 O ATOM 454 CB LEU A 33 -5.014 -1.580 0.576 1.00 0.00 C ATOM 455 CG LEU A 33 -4.552 -1.523 -0.882 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.194 -0.827 -1.000 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.537 -2.919 -1.508 1.00 0.00 C ATOM 0 H LEU A 33 -6.046 -2.933 2.386 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.814 -3.285 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.052 -1.913 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.996 -0.569 0.982 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.270 -0.926 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.889 -0.800 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.273 0.191 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.452 -1.376 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.205 -2.850 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.855 -3.560 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.541 -3.343 -1.476 1.00 0.00 H new ATOM 469 N LYS A 34 -3.277 -0.709 2.844 1.00 0.00 N ATOM 470 CA LYS A 34 -2.228 0.051 3.502 1.00 0.00 C ATOM 471 C LYS A 34 -1.246 -0.914 4.169 1.00 0.00 C ATOM 472 O LYS A 34 -0.057 -0.911 3.855 1.00 0.00 O ATOM 473 CB LYS A 34 -2.832 1.076 4.465 1.00 0.00 C ATOM 474 CG LYS A 34 -3.285 2.331 3.716 1.00 0.00 C ATOM 475 CD LYS A 34 -4.768 2.613 3.964 1.00 0.00 C ATOM 476 CE LYS A 34 -4.997 4.088 4.297 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.278 4.264 5.018 1.00 0.00 N ATOM 0 H LYS A 34 -4.219 -0.340 2.977 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.662 0.629 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.680 0.634 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.096 1.346 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.690 3.186 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.109 2.205 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.346 2.342 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.128 1.991 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.175 4.461 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.005 4.677 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.846 4.995 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.802 3.366 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.088 4.555 5.998 1.00 0.00 H new ATOM 491 N LYS A 35 -1.780 -1.718 5.077 1.00 0.00 N ATOM 492 CA LYS A 35 -0.966 -2.687 5.791 1.00 0.00 C ATOM 493 C LYS A 35 -0.127 -3.479 4.787 1.00 0.00 C ATOM 494 O LYS A 35 1.081 -3.629 4.964 1.00 0.00 O ATOM 495 CB LYS A 35 -1.841 -3.564 6.689 1.00 0.00 C ATOM 496 CG LYS A 35 -2.227 -2.823 7.971 1.00 0.00 C ATOM 497 CD LYS A 35 -3.746 -2.780 8.143 1.00 0.00 C ATOM 498 CE LYS A 35 -4.231 -3.936 9.020 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.157 -4.809 8.263 1.00 0.00 N ATOM 0 H LYS A 35 -2.767 -1.718 5.335 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.270 -2.181 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.741 -3.858 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.307 -4.480 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.774 -3.316 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.832 -1.808 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.038 -1.831 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.228 -2.832 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.378 -4.517 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.733 -3.543 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.581 -5.507 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.908 -4.231 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.633 -5.304 7.513 1.00 0.00 H new ATOM 513 N ALA A 36 -0.800 -3.966 3.754 1.00 0.00 N ATOM 514 CA ALA A 36 -0.131 -4.739 2.722 1.00 0.00 C ATOM 515 C ALA A 36 1.105 -3.977 2.240 1.00 0.00 C ATOM 516 O ALA A 36 2.234 -4.383 2.512 1.00 0.00 O ATOM 517 CB ALA A 36 -1.114 -5.033 1.587 1.00 0.00 C ATOM 0 H ALA A 36 -1.802 -3.840 3.610 1.00 0.00 H new ATOM 0 HA ALA A 36 0.206 -5.697 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.612 -5.613 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.959 -5.601 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.472 -4.095 1.163 1.00 0.00 H new ATOM 523 N ILE A 37 0.850 -2.886 1.533 1.00 0.00 N ATOM 524 CA ILE A 37 1.928 -2.064 1.011 1.00 0.00 C ATOM 525 C ILE A 37 3.019 -1.926 2.074 1.00 0.00 C ATOM 526 O ILE A 37 4.199 -1.807 1.746 1.00 0.00 O ATOM 527 CB ILE A 37 1.385 -0.724 0.509 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.410 -0.928 -0.652 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.526 0.226 0.140 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.444 0.322 -0.876 1.00 0.00 C ATOM 0 H ILE A 37 -0.088 -2.552 1.309 1.00 0.00 H new ATOM 0 HA ILE A 37 2.386 -2.541 0.144 1.00 0.00 H new ATOM 0 HB ILE A 37 0.826 -0.256 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.965 -1.162 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.235 -1.781 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.113 1.171 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.147 0.407 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.132 -0.222 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.129 0.151 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.016 0.539 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.203 1.168 -1.108 1.00 0.00 H new ATOM 542 N GLN A 38 2.587 -1.946 3.327 1.00 0.00 N ATOM 543 CA GLN A 38 3.512 -1.825 4.440 1.00 0.00 C ATOM 544 C GLN A 38 4.253 -3.146 4.661 1.00 0.00 C ATOM 545 O GLN A 38 5.473 -3.159 4.819 1.00 0.00 O ATOM 546 CB GLN A 38 2.785 -1.384 5.712 1.00 0.00 C ATOM 547 CG GLN A 38 2.992 0.109 5.973 1.00 0.00 C ATOM 548 CD GLN A 38 2.614 0.472 7.410 1.00 0.00 C ATOM 549 OE1 GLN A 38 1.312 0.387 7.665 1.00 0.00 O flip ATOM 550 NE2 GLN A 38 3.450 0.808 8.233 1.00 0.00 N flip ATOM 0 H GLN A 38 1.608 -2.044 3.595 1.00 0.00 H new ATOM 0 HA GLN A 38 4.245 -1.057 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.720 -1.596 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.151 -1.959 6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.034 0.373 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.388 0.691 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.435 0.852 7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.164 1.044 9.183 1.00 0.00 H new ATOM 559 N ARG A 39 3.484 -4.225 4.666 1.00 0.00 N ATOM 560 CA ARG A 39 4.052 -5.547 4.865 1.00 0.00 C ATOM 561 C ARG A 39 4.941 -5.927 3.680 1.00 0.00 C ATOM 562 O ARG A 39 5.641 -6.938 3.723 1.00 0.00 O ATOM 563 CB ARG A 39 2.953 -6.600 5.027 1.00 0.00 C ATOM 564 CG ARG A 39 2.870 -7.088 6.475 1.00 0.00 C ATOM 565 CD ARG A 39 1.579 -6.610 7.142 1.00 0.00 C ATOM 566 NE ARG A 39 1.028 -7.680 8.002 1.00 0.00 N ATOM 567 CZ ARG A 39 1.568 -8.060 9.168 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.677 -7.458 9.620 1.00 0.00 N ATOM 569 NH2 ARG A 39 1.000 -9.040 9.883 1.00 0.00 N ATOM 0 H ARG A 39 2.472 -4.210 4.535 1.00 0.00 H new ATOM 0 HA ARG A 39 4.649 -5.517 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.994 -6.179 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.152 -7.444 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.914 -8.177 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.730 -6.722 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.776 -5.719 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.849 -6.331 6.382 1.00 0.00 H new ATOM 0 HE ARG A 39 0.184 -8.159 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.109 -6.711 9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.088 -7.747 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.156 -9.498 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.412 -9.328 10.770 1.00 0.00 H new ATOM 583 N TYR A 40 4.886 -5.096 2.649 1.00 0.00 N ATOM 584 CA TYR A 40 5.678 -5.333 1.454 1.00 0.00 C ATOM 585 C TYR A 40 7.070 -4.712 1.588 1.00 0.00 C ATOM 586 O TYR A 40 8.055 -5.284 1.124 1.00 0.00 O ATOM 587 CB TYR A 40 4.932 -4.641 0.310 1.00 0.00 C ATOM 588 CG TYR A 40 5.664 -4.696 -1.032 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.813 -3.956 -1.222 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.174 -5.486 -2.053 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.502 -4.008 -2.486 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.863 -5.537 -3.316 1.00 0.00 C ATOM 593 CZ TYR A 40 6.993 -4.796 -3.471 1.00 0.00 C ATOM 594 OH TYR A 40 7.643 -4.845 -4.664 1.00 0.00 O ATOM 0 H TYR A 40 4.305 -4.258 2.617 1.00 0.00 H new ATOM 0 HA TYR A 40 5.806 -6.402 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.952 -5.104 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.763 -3.598 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.196 -3.338 -0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.275 -6.065 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.403 -3.434 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.491 -6.150 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 40 7.782 -5.780 -4.923 1.00 0.00 H new ATOM 604 N VAL A 41 7.107 -3.551 2.224 1.00 0.00 N ATOM 605 CA VAL A 41 8.362 -2.847 2.424 1.00 0.00 C ATOM 606 C VAL A 41 8.942 -3.226 3.788 1.00 0.00 C ATOM 607 O VAL A 41 10.157 -3.345 3.938 1.00 0.00 O ATOM 608 CB VAL A 41 8.148 -1.340 2.264 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.375 -0.559 2.740 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.801 -0.987 0.816 1.00 0.00 C ATOM 0 H VAL A 41 6.288 -3.080 2.608 1.00 0.00 H new ATOM 0 HA VAL A 41 9.090 -3.141 1.667 1.00 0.00 H new ATOM 0 HB VAL A 41 7.304 -1.052 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.197 0.509 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.559 -0.776 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.244 -0.853 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.654 0.090 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.616 -1.296 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.886 -1.503 0.525 1.00 0.00 H new ATOM 620 N GLN A 42 8.046 -3.405 4.748 1.00 0.00 N ATOM 621 CA GLN A 42 8.454 -3.768 6.094 1.00 0.00 C ATOM 622 C GLN A 42 9.096 -5.157 6.098 1.00 0.00 C ATOM 623 O GLN A 42 10.302 -5.287 6.305 1.00 0.00 O ATOM 624 CB GLN A 42 7.270 -3.709 7.061 1.00 0.00 C ATOM 625 CG GLN A 42 7.739 -3.404 8.485 1.00 0.00 C ATOM 626 CD GLN A 42 7.506 -4.602 9.407 1.00 0.00 C ATOM 627 OE1 GLN A 42 6.973 -5.627 9.014 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.934 -4.417 10.653 1.00 0.00 N ATOM 0 H GLN A 42 7.039 -3.305 4.620 1.00 0.00 H new ATOM 0 HA GLN A 42 9.195 -3.045 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.567 -2.943 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.736 -4.659 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.799 -3.148 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.205 -2.535 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.372 -3.534 10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.824 -5.158 11.345 1.00 0.00 H new ATOM 637 N LEU A 43 8.262 -6.160 5.866 1.00 0.00 N ATOM 638 CA LEU A 43 8.732 -7.534 5.840 1.00 0.00 C ATOM 639 C LEU A 43 10.047 -7.604 5.061 1.00 0.00 C ATOM 640 O LEU A 43 10.982 -8.289 5.474 1.00 0.00 O ATOM 641 CB LEU A 43 7.645 -8.463 5.295 1.00 0.00 C ATOM 642 CG LEU A 43 7.712 -8.767 3.797 1.00 0.00 C ATOM 643 CD1 LEU A 43 8.932 -9.627 3.466 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.410 -9.406 3.309 1.00 0.00 C ATOM 0 H LEU A 43 7.263 -6.048 5.694 1.00 0.00 H new ATOM 0 HA LEU A 43 8.940 -7.884 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.694 -9.406 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.673 -8.020 5.513 1.00 0.00 H new ATOM 0 HG LEU A 43 7.829 -7.825 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.955 -9.828 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.840 -9.098 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.872 -10.569 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.484 -9.612 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.238 -10.338 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.580 -8.724 3.490 1.00 0.00 H new ATOM 656 N LYS A 44 10.078 -6.885 3.949 1.00 0.00 N ATOM 657 CA LYS A 44 11.263 -6.857 3.108 1.00 0.00 C ATOM 658 C LYS A 44 12.476 -6.475 3.958 1.00 0.00 C ATOM 659 O LYS A 44 13.409 -7.263 4.104 1.00 0.00 O ATOM 660 CB LYS A 44 11.043 -5.940 1.903 1.00 0.00 C ATOM 661 CG LYS A 44 12.158 -6.116 0.870 1.00 0.00 C ATOM 662 CD LYS A 44 11.981 -5.144 -0.298 1.00 0.00 C ATOM 663 CE LYS A 44 13.031 -4.032 -0.250 1.00 0.00 C ATOM 664 NZ LYS A 44 14.301 -4.493 -0.854 1.00 0.00 N ATOM 0 H LYS A 44 9.301 -6.317 3.610 1.00 0.00 H new ATOM 0 HA LYS A 44 11.461 -7.846 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.079 -6.161 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.008 -4.902 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.126 -5.950 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.156 -7.141 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.062 -5.685 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.983 -4.708 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.665 -3.155 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.202 -3.729 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.003 -3.727 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.657 -5.317 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.137 -4.760 -1.846 1.00 0.00 H new ATOM 678 N GLN A 45 12.425 -5.266 4.498 1.00 0.00 N ATOM 679 CA GLN A 45 13.508 -4.770 5.329 1.00 0.00 C ATOM 680 C GLN A 45 13.837 -5.780 6.431 1.00 0.00 C ATOM 681 O GLN A 45 14.989 -6.181 6.587 1.00 0.00 O ATOM 682 CB GLN A 45 13.162 -3.404 5.924 1.00 0.00 C ATOM 683 CG GLN A 45 13.211 -2.311 4.854 1.00 0.00 C ATOM 684 CD GLN A 45 12.623 -1.001 5.380 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.463 -0.797 6.572 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.310 -0.127 4.427 1.00 0.00 N ATOM 0 H GLN A 45 11.649 -4.615 4.376 1.00 0.00 H new ATOM 0 HA GLN A 45 14.391 -4.644 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.167 -3.438 6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.861 -3.165 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.242 -2.150 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.657 -2.635 3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.470 -0.362 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.910 0.778 4.676 1.00 0.00 H new ATOM 695 N GLU A 46 12.803 -6.162 7.166 1.00 0.00 N ATOM 696 CA GLU A 46 12.967 -7.118 8.248 1.00 0.00 C ATOM 697 C GLU A 46 13.856 -8.280 7.800 1.00 0.00 C ATOM 698 O GLU A 46 14.892 -8.544 8.408 1.00 0.00 O ATOM 699 CB GLU A 46 11.611 -7.624 8.743 1.00 0.00 C ATOM 700 CG GLU A 46 11.457 -7.397 10.248 1.00 0.00 C ATOM 701 CD GLU A 46 11.688 -8.694 11.026 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.746 -9.515 11.053 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.802 -8.836 11.575 1.00 0.00 O ATOM 0 H GLU A 46 11.849 -5.827 7.034 1.00 0.00 H new ATOM 0 HA GLU A 46 13.455 -6.613 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.811 -7.110 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.512 -8.686 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.167 -6.639 10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.459 -7.014 10.461 1.00 0.00 H new ATOM 832 N SER A 55 7.861 6.606 9.213 1.00 0.00 N ATOM 833 CA SER A 55 6.642 6.995 9.902 1.00 0.00 C ATOM 834 C SER A 55 5.430 6.747 9.002 1.00 0.00 C ATOM 835 O SER A 55 4.881 7.683 8.422 1.00 0.00 O ATOM 836 CB SER A 55 6.695 8.463 10.329 1.00 0.00 C ATOM 837 OG SER A 55 6.465 8.622 11.726 1.00 0.00 O ATOM 0 HA SER A 55 6.549 6.387 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.669 8.880 10.072 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.949 9.030 9.772 1.00 0.00 H new ATOM 0 HG SER A 55 6.509 9.573 11.959 1.00 0.00 H new ATOM 843 N TRP A 56 5.049 5.481 8.912 1.00 0.00 N ATOM 844 CA TRP A 56 3.912 5.099 8.092 1.00 0.00 C ATOM 845 C TRP A 56 2.680 5.839 8.616 1.00 0.00 C ATOM 846 O TRP A 56 1.882 6.354 7.835 1.00 0.00 O ATOM 847 CB TRP A 56 3.734 3.579 8.076 1.00 0.00 C ATOM 848 CG TRP A 56 4.715 2.847 7.157 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.698 2.005 7.504 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.768 2.928 5.717 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.377 1.538 6.397 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.794 2.118 5.276 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.974 3.661 4.818 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.121 1.963 3.924 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.314 3.496 3.470 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.344 2.684 3.009 1.00 0.00 C ATOM 0 H TRP A 56 5.507 4.707 9.393 1.00 0.00 H new ATOM 0 HA TRP A 56 4.073 5.385 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.850 3.199 9.091 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.716 3.346 7.763 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.930 1.727 8.522 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.162 0.887 6.401 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.166 4.301 5.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.929 1.322 3.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.735 4.038 2.736 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.544 2.610 1.950 1.00 0.00 H new ATOM 867 N SER A 57 2.564 5.869 9.936 1.00 0.00 N ATOM 868 CA SER A 57 1.443 6.538 10.573 1.00 0.00 C ATOM 869 C SER A 57 1.168 7.874 9.882 1.00 0.00 C ATOM 870 O SER A 57 0.074 8.098 9.367 1.00 0.00 O ATOM 871 CB SER A 57 1.707 6.756 12.064 1.00 0.00 C ATOM 872 OG SER A 57 0.498 6.865 12.811 1.00 0.00 O ATOM 0 H SER A 57 3.228 5.441 10.581 1.00 0.00 H new ATOM 0 HA SER A 57 0.565 5.900 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.299 5.927 12.452 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.299 7.661 12.199 1.00 0.00 H new ATOM 0 HG SER A 57 0.710 7.002 13.758 1.00 0.00 H new ATOM 878 N TYR A 58 2.182 8.728 9.892 1.00 0.00 N ATOM 879 CA TYR A 58 2.063 10.037 9.272 1.00 0.00 C ATOM 880 C TYR A 58 1.823 9.911 7.766 1.00 0.00 C ATOM 881 O TYR A 58 0.963 10.593 7.212 1.00 0.00 O ATOM 882 CB TYR A 58 3.404 10.737 9.506 1.00 0.00 C ATOM 883 CG TYR A 58 3.494 12.132 8.884 1.00 0.00 C ATOM 884 CD1 TYR A 58 2.967 13.220 9.550 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.103 12.303 7.657 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.052 14.533 8.965 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.188 13.616 7.072 1.00 0.00 C ATOM 888 CZ TYR A 58 3.658 14.666 7.755 1.00 0.00 C ATOM 889 OH TYR A 58 3.738 15.906 7.202 1.00 0.00 O ATOM 0 H TYR A 58 3.089 8.539 10.319 1.00 0.00 H new ATOM 0 HA TYR A 58 1.224 10.588 9.696 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.578 10.817 10.579 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.202 10.116 9.099 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.491 13.087 10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.516 11.452 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.644 15.393 9.476 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.662 13.764 6.113 1.00 0.00 H new ATOM 0 HH TYR A 58 4.197 15.850 6.338 1.00 0.00 H new ATOM 899 N VAL A 59 2.599 9.033 7.147 1.00 0.00 N ATOM 900 CA VAL A 59 2.482 8.809 5.716 1.00 0.00 C ATOM 901 C VAL A 59 1.008 8.616 5.354 1.00 0.00 C ATOM 902 O VAL A 59 0.447 9.395 4.585 1.00 0.00 O ATOM 903 CB VAL A 59 3.360 7.627 5.298 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.085 7.227 3.847 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.842 7.944 5.509 1.00 0.00 C ATOM 0 H VAL A 59 3.311 8.468 7.610 1.00 0.00 H new ATOM 0 HA VAL A 59 2.842 9.676 5.162 1.00 0.00 H new ATOM 0 HB VAL A 59 3.106 6.778 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.722 6.385 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.039 6.940 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.298 8.070 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.444 7.088 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.117 8.813 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.022 8.158 6.563 1.00 0.00 H new ATOM 915 N TRP A 60 0.422 7.574 5.926 1.00 0.00 N ATOM 916 CA TRP A 60 -0.976 7.269 5.673 1.00 0.00 C ATOM 917 C TRP A 60 -1.809 8.478 6.103 1.00 0.00 C ATOM 918 O TRP A 60 -2.913 8.685 5.602 1.00 0.00 O ATOM 919 CB TRP A 60 -1.391 5.976 6.377 1.00 0.00 C ATOM 920 CG TRP A 60 -0.638 4.734 5.894 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.072 3.864 6.625 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.548 4.258 4.535 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.611 2.865 5.840 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.221 3.112 4.528 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.099 4.777 3.350 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.510 2.389 3.365 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.802 4.043 2.196 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.029 2.888 2.172 1.00 0.00 C ATOM 0 H TRP A 60 0.890 6.930 6.564 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.146 7.089 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.231 6.091 7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.460 5.821 6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.206 3.936 7.694 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.189 2.089 6.163 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.704 5.672 3.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.116 1.495 3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.202 4.399 1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.155 2.378 1.238 1.00 0.00 H new ATOM 939 N ARG A 61 -1.247 9.245 7.026 1.00 0.00 N ATOM 940 CA ARG A 61 -1.925 10.428 7.529 1.00 0.00 C ATOM 941 C ARG A 61 -1.532 11.655 6.704 1.00 0.00 C ATOM 942 O ARG A 61 -1.503 12.771 7.221 1.00 0.00 O ATOM 943 CB ARG A 61 -1.579 10.677 8.998 1.00 0.00 C ATOM 944 CG ARG A 61 -2.670 11.501 9.686 1.00 0.00 C ATOM 945 CD ARG A 61 -2.059 12.602 10.556 1.00 0.00 C ATOM 946 NE ARG A 61 -2.660 12.570 11.908 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.185 13.255 12.957 1.00 0.00 C ATOM 948 NH1 ARG A 61 -1.101 14.029 12.817 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.794 13.165 14.147 1.00 0.00 N ATOM 0 H ARG A 61 -0.331 9.070 7.438 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.998 10.258 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.458 9.724 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.625 11.200 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.323 11.946 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.290 10.849 10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.980 12.465 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.228 13.576 10.097 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.487 11.990 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.637 14.097 11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.740 14.550 13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.619 12.575 14.254 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.432 13.686 14.946 1.00 0.00 H new ATOM 963 N THR A 62 -1.240 11.408 5.436 1.00 0.00 N ATOM 964 CA THR A 62 -0.851 12.479 4.535 1.00 0.00 C ATOM 965 C THR A 62 -1.349 12.191 3.117 1.00 0.00 C ATOM 966 O THR A 62 -1.899 13.071 2.457 1.00 0.00 O ATOM 967 CB THR A 62 0.668 12.643 4.624 1.00 0.00 C ATOM 968 OG1 THR A 62 0.875 13.287 5.877 1.00 0.00 O ATOM 969 CG2 THR A 62 1.210 13.640 3.598 1.00 0.00 C ATOM 0 H THR A 62 -1.265 10.481 5.011 1.00 0.00 H new ATOM 0 HA THR A 62 -1.312 13.424 4.822 1.00 0.00 H new ATOM 0 HB THR A 62 1.147 11.675 4.477 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.981 12.611 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.292 13.719 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.968 13.295 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.757 14.617 3.765 1.00 0.00 H new ATOM 977 N TYR A 63 -1.138 10.954 2.690 1.00 0.00 N ATOM 978 CA TYR A 63 -1.559 10.539 1.363 1.00 0.00 C ATOM 979 C TYR A 63 -2.730 9.557 1.441 1.00 0.00 C ATOM 980 O TYR A 63 -2.918 8.889 2.456 1.00 0.00 O ATOM 981 CB TYR A 63 -0.355 9.829 0.742 1.00 0.00 C ATOM 982 CG TYR A 63 0.901 10.698 0.651 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.650 10.949 1.783 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.286 11.230 -0.563 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.832 11.766 1.697 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.468 12.048 -0.648 1.00 0.00 C ATOM 987 CZ TYR A 63 3.183 12.276 0.486 1.00 0.00 C ATOM 988 OH TYR A 63 4.299 13.048 0.405 1.00 0.00 O ATOM 0 H TYR A 63 -0.681 10.226 3.240 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.886 11.399 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.127 8.940 1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.623 9.489 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.349 10.532 2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.701 11.033 -1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.427 11.970 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.780 12.471 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 63 4.427 13.342 -0.521 1.00 0.00 H new ATOM 998 N HIS A 64 -3.488 9.502 0.355 1.00 0.00 N ATOM 999 CA HIS A 64 -4.635 8.614 0.288 1.00 0.00 C ATOM 1000 C HIS A 64 -4.457 7.632 -0.872 1.00 0.00 C ATOM 1001 O HIS A 64 -3.519 7.757 -1.658 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.936 9.413 0.193 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.340 10.084 1.484 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.999 9.416 2.502 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.172 11.368 1.911 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -7.212 10.270 3.492 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.700 11.479 3.124 1.00 0.00 N ATOM 0 H HIS A 64 -3.330 10.058 -0.485 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.701 8.030 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.828 10.173 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.738 8.746 -0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.274 8.434 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.691 12.160 1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.705 10.048 4.427 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.372 6.676 -0.942 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.328 5.673 -1.993 1.00 0.00 C ATOM 1017 C LEU A 65 -6.556 5.828 -2.892 1.00 0.00 C ATOM 1018 O LEU A 65 -7.688 5.673 -2.435 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.178 4.274 -1.392 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.066 4.105 -0.354 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.006 2.664 0.155 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.720 4.573 -0.912 1.00 0.00 C ATOM 0 H LEU A 65 -6.148 6.575 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.451 5.820 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.125 3.996 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.000 3.569 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.298 4.739 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.208 2.571 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.958 2.401 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.810 1.991 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.947 4.442 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.467 3.984 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.786 5.626 -1.185 1.00 0.00 H new ATOM 1034 N THR A 66 -6.291 6.131 -4.154 1.00 0.00 N ATOM 1035 CA THR A 66 -7.361 6.308 -5.121 1.00 0.00 C ATOM 1036 C THR A 66 -7.234 5.284 -6.251 1.00 0.00 C ATOM 1037 O THR A 66 -6.164 4.713 -6.458 1.00 0.00 O ATOM 1038 CB THR A 66 -7.323 7.758 -5.608 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.950 7.712 -6.886 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.901 8.238 -5.908 1.00 0.00 C ATOM 0 H THR A 66 -5.351 6.258 -4.529 1.00 0.00 H new ATOM 0 HA THR A 66 -8.336 6.127 -4.669 1.00 0.00 H new ATOM 0 HB THR A 66 -7.774 8.405 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.970 8.612 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.931 9.273 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.296 8.172 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.462 7.612 -6.685 1.00 0.00 H new ATOM 1048 N SER A 67 -8.340 5.083 -6.952 1.00 0.00 N ATOM 1049 CA SER A 67 -8.365 4.138 -8.055 1.00 0.00 C ATOM 1050 C SER A 67 -9.151 4.726 -9.229 1.00 0.00 C ATOM 1051 O SER A 67 -8.565 5.277 -10.160 1.00 0.00 O ATOM 1052 CB SER A 67 -8.975 2.803 -7.623 1.00 0.00 C ATOM 1053 OG SER A 67 -9.150 1.915 -8.724 1.00 0.00 O ATOM 0 H SER A 67 -9.225 5.559 -6.777 1.00 0.00 H new ATOM 0 HA SER A 67 -7.338 3.952 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.332 2.335 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.938 2.982 -7.145 1.00 0.00 H new ATOM 0 HG SER A 67 -9.540 1.074 -8.407 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.467 4.588 -9.148 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.339 5.098 -10.192 1.00 0.00 C ATOM 1061 C ALA A 68 -11.900 6.455 -9.763 1.00 0.00 C ATOM 1062 O ALA A 68 -13.019 6.812 -10.131 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.440 4.076 -10.481 1.00 0.00 C ATOM 0 H ALA A 68 -10.950 4.130 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.784 5.249 -11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.095 4.458 -11.264 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.990 3.139 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.021 3.901 -9.576 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.099 7.174 -8.991 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.502 8.484 -8.509 1.00 0.00 C ATOM 1071 C GLY A 69 -12.070 8.395 -7.091 1.00 0.00 C ATOM 1072 O GLY A 69 -12.134 9.397 -6.380 1.00 0.00 O ATOM 0 H GLY A 69 -10.173 6.874 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.646 9.159 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.251 8.908 -9.179 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.469 7.187 -6.722 1.00 0.00 N ATOM 1077 CA GLU A 70 -13.029 6.954 -5.402 1.00 0.00 C ATOM 1078 C GLU A 70 -11.914 6.882 -4.357 1.00 0.00 C ATOM 1079 O GLU A 70 -11.252 5.854 -4.220 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.880 5.683 -5.384 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.165 5.872 -6.193 1.00 0.00 C ATOM 1082 CD GLU A 70 -16.064 4.637 -6.091 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -16.336 4.226 -4.943 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.458 4.133 -7.165 1.00 0.00 O ATOM 0 H GLU A 70 -12.416 6.359 -7.315 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.680 7.792 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.307 4.851 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.129 5.422 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.702 6.748 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.917 6.060 -7.238 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.740 7.986 -3.646 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.716 8.061 -2.618 1.00 0.00 C ATOM 1093 C LYS A 71 -11.003 7.013 -1.541 1.00 0.00 C ATOM 1094 O LYS A 71 -11.996 7.112 -0.822 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.607 9.487 -2.074 1.00 0.00 C ATOM 1096 CG LYS A 71 -9.843 10.388 -3.047 1.00 0.00 C ATOM 1097 CD LYS A 71 -8.379 10.532 -2.627 1.00 0.00 C ATOM 1098 CE LYS A 71 -7.872 11.952 -2.885 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.254 12.400 -4.243 1.00 0.00 N ATOM 0 H LYS A 71 -12.291 8.836 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.737 7.828 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.604 9.892 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.099 9.474 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.897 9.971 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.313 11.371 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.275 10.292 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.767 9.818 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.286 12.633 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.788 11.983 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.887 13.359 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.853 11.750 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.291 12.406 -4.328 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.116 6.032 -1.464 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.262 4.966 -0.488 1.00 0.00 C ATOM 1115 C LEU A 72 -9.894 5.497 0.899 1.00 0.00 C ATOM 1116 O LEU A 72 -8.732 5.449 1.298 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.452 3.738 -0.910 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.531 3.360 -2.391 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.514 2.269 -2.732 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.955 2.958 -2.780 1.00 0.00 C ATOM 0 H LEU A 72 -9.293 5.953 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.299 4.634 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.407 3.911 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.787 2.885 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.273 4.239 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.590 2.018 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.508 2.629 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.718 1.381 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.983 2.694 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.267 2.100 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.632 3.793 -2.596 1.00 0.00 H new ATOM 1132 N THR A 73 -10.907 5.991 1.596 1.00 0.00 N ATOM 1133 CA THR A 73 -10.705 6.530 2.930 1.00 0.00 C ATOM 1134 C THR A 73 -11.554 5.767 3.948 1.00 0.00 C ATOM 1135 O THR A 73 -11.544 6.088 5.136 1.00 0.00 O ATOM 1136 CB THR A 73 -11.011 8.029 2.885 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.397 8.091 2.559 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.321 8.732 1.715 1.00 0.00 C ATOM 0 H THR A 73 -11.870 6.029 1.262 1.00 0.00 H new ATOM 0 HA THR A 73 -9.673 6.404 3.256 1.00 0.00 H new ATOM 0 HB THR A 73 -10.699 8.491 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.680 9.028 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.571 9.793 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.241 8.612 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.658 8.292 0.776 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.270 4.771 3.446 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.124 3.960 4.297 1.00 0.00 C ATOM 1148 C GLU A 74 -12.432 2.638 4.636 1.00 0.00 C ATOM 1149 O GLU A 74 -12.377 1.732 3.806 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.482 3.715 3.638 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.431 4.890 3.884 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.877 5.520 2.563 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -15.152 6.424 2.093 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -16.932 5.085 2.054 1.00 0.00 O ATOM 0 H GLU A 74 -12.276 4.507 2.461 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.301 4.504 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.349 3.569 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.922 2.799 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.303 4.547 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.935 5.640 4.500 1.00 0.00 H new ATOM 1161 N ASP A 75 -11.922 2.569 5.857 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.237 1.373 6.316 1.00 0.00 C ATOM 1163 C ASP A 75 -12.249 0.235 6.461 1.00 0.00 C ATOM 1164 O ASP A 75 -11.904 -0.933 6.287 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.583 1.602 7.680 1.00 0.00 C ATOM 1166 CG ASP A 75 -9.909 2.964 7.854 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -8.989 3.248 7.056 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.328 3.691 8.780 1.00 0.00 O ATOM 0 H ASP A 75 -11.970 3.323 6.543 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.468 1.123 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.342 1.488 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.840 0.822 7.845 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.477 0.615 6.780 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.542 -0.359 6.951 1.00 0.00 C ATOM 1175 C ARG A 76 -15.034 -0.852 5.588 1.00 0.00 C ATOM 1176 O ARG A 76 -15.413 -2.013 5.444 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.718 0.240 7.725 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.558 0.010 9.229 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.349 -1.219 9.683 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.686 -1.844 10.850 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.223 -2.833 11.577 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.433 -3.315 11.263 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -15.550 -3.340 12.619 1.00 0.00 N ATOM 0 H ARG A 76 -13.759 1.585 6.925 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.138 -1.196 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.785 1.309 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.650 -0.209 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.503 -0.122 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.901 0.890 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.367 -0.931 9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.421 -1.938 8.867 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.763 -1.500 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.946 -2.929 10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.841 -4.068 11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.629 -2.973 12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.959 -4.093 13.173 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.014 0.056 4.624 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.454 -0.271 3.278 1.00 0.00 C ATOM 1199 C LYS A 77 -14.430 -1.200 2.623 1.00 0.00 C ATOM 1200 O LYS A 77 -13.230 -0.935 2.667 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.728 1.005 2.479 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.193 0.673 1.059 1.00 0.00 C ATOM 1203 CD LYS A 77 -16.920 1.862 0.429 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.266 1.433 -0.158 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.261 2.520 -0.022 1.00 0.00 N ATOM 0 H LYS A 77 -14.700 1.018 4.748 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.401 -0.810 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.489 1.599 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.824 1.613 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.334 0.401 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.855 -0.192 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.077 2.636 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.300 2.298 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.144 1.173 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.624 0.539 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.169 2.212 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.389 2.749 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.925 3.364 -0.529 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.942 -2.268 2.031 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.086 -3.238 1.367 1.00 0.00 C ATOM 1221 C LYS A 78 -13.686 -2.701 -0.008 1.00 0.00 C ATOM 1222 O LYS A 78 -14.400 -1.887 -0.593 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.766 -4.608 1.319 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.159 -5.074 2.722 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.674 -4.992 2.922 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.100 -5.729 4.194 1.00 0.00 C ATOM 1227 NZ LYS A 78 -16.632 -5.003 5.395 1.00 0.00 N ATOM 0 H LYS A 78 -15.938 -2.484 1.997 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.166 -3.385 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.653 -4.556 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.094 -5.336 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.823 -6.099 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.656 -4.458 3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.980 -3.948 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.182 -5.424 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.185 -5.825 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.691 -6.739 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.842 -5.522 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.314 -4.051 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.411 -4.925 6.079 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.546 -3.178 -0.486 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.042 -2.757 -1.782 1.00 0.00 C ATOM 1243 C LEU A 79 -13.061 -3.121 -2.863 1.00 0.00 C ATOM 1244 O LEU A 79 -13.246 -2.375 -3.824 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.648 -3.337 -2.030 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.618 -3.104 -0.922 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.262 -3.702 -1.300 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.512 -1.617 -0.576 1.00 0.00 C ATOM 0 H LEU A 79 -11.957 -3.853 0.002 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.920 -1.674 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.746 -4.411 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.259 -2.913 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.959 -3.620 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.548 -3.523 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.369 -4.775 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.901 -3.235 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.774 -1.479 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.206 -1.059 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.481 -1.253 -0.234 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.696 -4.268 -2.671 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.692 -4.741 -3.618 1.00 0.00 C ATOM 1262 C ARG A 80 -15.835 -3.731 -3.733 1.00 0.00 C ATOM 1263 O ARG A 80 -16.363 -3.507 -4.822 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.258 -6.096 -3.191 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.699 -6.914 -4.407 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.735 -7.968 -4.012 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.943 -8.916 -5.129 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.051 -9.651 -5.295 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -19.059 -9.551 -4.417 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -18.152 -10.486 -6.338 1.00 0.00 N ATOM 0 H ARG A 80 -13.540 -4.884 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.203 -4.854 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.504 -6.649 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.106 -5.946 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.120 -6.251 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.833 -7.400 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.399 -8.506 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.677 -7.485 -3.754 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.196 -9.016 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.982 -8.916 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.903 -10.110 -4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.385 -10.562 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.996 -11.045 -6.464 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.186 -3.149 -2.596 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.257 -2.169 -2.556 1.00 0.00 C ATOM 1286 C ASP A 81 -16.912 -1.003 -3.486 1.00 0.00 C ATOM 1287 O ASP A 81 -17.804 -0.345 -4.019 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.439 -1.608 -1.144 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.870 -1.666 -0.605 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.733 -0.999 -1.214 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.067 -2.375 0.405 1.00 0.00 O ATOM 0 H ASP A 81 -15.747 -3.338 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.177 -2.663 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.788 -2.158 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.105 -0.570 -1.136 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.616 -0.784 -3.651 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.142 0.290 -4.507 1.00 0.00 C ATOM 1298 C TYR A 82 -14.977 -0.191 -5.950 1.00 0.00 C ATOM 1299 O TYR A 82 -14.630 0.591 -6.833 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.772 0.694 -3.957 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.834 1.739 -2.841 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.889 3.082 -3.156 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.834 1.339 -1.521 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.947 4.065 -2.105 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.892 2.322 -0.470 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.946 3.637 -0.815 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.000 4.566 0.177 1.00 0.00 O ATOM 0 H TYR A 82 -14.879 -1.332 -3.206 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.851 1.118 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.266 -0.195 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.165 1.085 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.889 3.395 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.790 0.288 -1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.990 5.119 -2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.893 2.022 0.568 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.822 5.092 0.088 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.233 -1.477 -6.145 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.117 -2.071 -7.465 1.00 0.00 C ATOM 1319 C GLY A 83 -13.670 -2.471 -7.762 1.00 0.00 C ATOM 1320 O GLY A 83 -13.309 -2.698 -8.915 1.00 0.00 O ATOM 0 H GLY A 83 -15.520 -2.123 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.761 -2.948 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.464 -1.363 -8.218 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.881 -2.545 -6.700 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.482 -2.913 -6.832 1.00 0.00 C ATOM 1326 C ILE A 84 -11.362 -4.438 -6.877 1.00 0.00 C ATOM 1327 O ILE A 84 -11.600 -5.113 -5.876 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.650 -2.264 -5.724 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.775 -0.739 -5.766 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.192 -2.721 -5.793 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.107 -0.100 -4.547 1.00 0.00 C ATOM 0 H ILE A 84 -13.184 -2.356 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.075 -2.533 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.045 -2.594 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.316 -0.358 -6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.828 -0.458 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.623 -2.245 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.144 -3.804 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.768 -2.441 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.210 0.984 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.585 -0.465 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.049 -0.363 -4.532 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.994 -4.936 -8.048 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.840 -6.369 -8.237 1.00 0.00 C ATOM 1345 C ARG A 85 -9.356 -6.742 -8.280 1.00 0.00 C ATOM 1346 O ARG A 85 -8.493 -5.893 -8.065 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.512 -6.829 -9.532 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.029 -6.643 -9.458 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.639 -7.539 -8.379 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.098 -7.668 -8.593 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.003 -6.786 -8.148 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -15.606 -5.706 -7.462 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.307 -6.984 -8.390 1.00 0.00 N ATOM 0 H ARG A 85 -10.798 -4.373 -8.876 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.320 -6.868 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.113 -6.263 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.279 -7.878 -9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.261 -5.600 -9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.475 -6.876 -10.425 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.171 -8.523 -8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.444 -7.119 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.435 -8.479 -9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.614 -5.555 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.296 -5.035 -7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.610 -7.806 -8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.996 -6.313 -8.051 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.107 -8.013 -8.559 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.743 -8.509 -8.632 1.00 0.00 C ATOM 1369 C ASN A 86 -7.064 -7.939 -9.880 1.00 0.00 C ATOM 1370 O ASN A 86 -7.734 -7.586 -10.849 1.00 0.00 O ATOM 1371 CB ASN A 86 -7.717 -10.035 -8.736 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.336 -10.532 -9.169 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.392 -10.572 -8.397 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.271 -10.906 -10.444 1.00 0.00 N ATOM 0 H ASN A 86 -9.826 -8.714 -8.737 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.223 -8.200 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.980 -10.473 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.468 -10.367 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.392 -11.252 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.100 -10.847 -11.036 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.743 -7.866 -9.814 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.966 -7.345 -10.926 1.00 0.00 C ATOM 1383 C ARG A 87 -5.374 -5.902 -11.228 1.00 0.00 C ATOM 1384 O ARG A 87 -5.316 -5.463 -12.376 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.163 -8.196 -12.182 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.841 -8.822 -12.633 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.609 -8.594 -14.128 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.626 -9.574 -14.643 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.301 -9.703 -15.936 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.878 -8.915 -16.854 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.399 -10.620 -16.312 1.00 0.00 N ATOM 0 H ARG A 87 -5.191 -8.159 -9.008 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.915 -7.377 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.892 -8.981 -11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.570 -7.579 -12.983 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.017 -8.391 -12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.850 -9.891 -12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.550 -8.691 -14.669 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.247 -7.580 -14.298 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.168 -10.189 -13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.565 -8.217 -16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.630 -9.013 -17.839 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.960 -11.220 -15.614 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.152 -10.718 -17.297 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.777 -5.203 -10.177 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.194 -3.818 -10.315 1.00 0.00 C ATOM 1407 C ASP A 88 -4.999 -2.900 -10.048 1.00 0.00 C ATOM 1408 O ASP A 88 -4.002 -3.328 -9.467 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.292 -3.470 -9.308 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.716 -3.783 -9.770 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.906 -4.892 -10.313 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.584 -2.905 -9.569 1.00 0.00 O ATOM 0 H ASP A 88 -5.824 -5.570 -9.226 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.576 -3.681 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.099 -4.011 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.227 -2.407 -9.075 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.139 -1.657 -10.483 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.083 -0.676 -10.298 1.00 0.00 C ATOM 1419 C GLU A 89 -4.606 0.523 -9.505 1.00 0.00 C ATOM 1420 O GLU A 89 -5.480 1.249 -9.974 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.504 -0.233 -11.643 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.682 -1.354 -12.282 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.827 -1.341 -13.805 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.423 -0.321 -14.405 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.338 -2.351 -14.336 1.00 0.00 O ATOM 0 H GLU A 89 -5.968 -1.306 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.278 -1.141 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.313 0.057 -12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.877 0.647 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.632 -1.239 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.008 -2.317 -11.890 1.00 0.00 H new ATOM 1432 N VAL A 90 -4.048 0.694 -8.315 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.447 1.792 -7.452 1.00 0.00 C ATOM 1434 C VAL A 90 -3.423 2.923 -7.567 1.00 0.00 C ATOM 1435 O VAL A 90 -2.245 2.676 -7.817 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.626 1.292 -6.017 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.453 2.433 -5.013 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.983 0.608 -5.840 1.00 0.00 C ATOM 0 H VAL A 90 -3.323 0.090 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.411 2.193 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.850 0.553 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.585 2.050 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.454 2.857 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.196 3.206 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.085 0.262 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.780 1.317 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.053 -0.243 -6.518 1.00 0.00 H new ATOM 1448 N SER A 91 -3.911 4.141 -7.379 1.00 0.00 N ATOM 1449 CA SER A 91 -3.053 5.311 -7.459 1.00 0.00 C ATOM 1450 C SER A 91 -2.936 5.969 -6.083 1.00 0.00 C ATOM 1451 O SER A 91 -3.736 5.695 -5.190 1.00 0.00 O ATOM 1452 CB SER A 91 -3.585 6.315 -8.484 1.00 0.00 C ATOM 1453 OG SER A 91 -4.985 6.167 -8.699 1.00 0.00 O ATOM 0 H SER A 91 -4.889 4.343 -7.172 1.00 0.00 H new ATOM 0 HA SER A 91 -2.064 4.989 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.376 7.328 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.057 6.183 -9.429 1.00 0.00 H new ATOM 0 HG SER A 91 -5.286 6.827 -9.358 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.932 6.823 -5.954 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.699 7.522 -4.702 1.00 0.00 C ATOM 1461 C PHE A 92 -1.973 9.020 -4.851 1.00 0.00 C ATOM 1462 O PHE A 92 -2.067 9.530 -5.966 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.226 7.319 -4.342 1.00 0.00 C ATOM 1464 CG PHE A 92 0.001 6.373 -3.161 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.086 6.842 -1.888 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.291 5.063 -3.385 1.00 0.00 C ATOM 1467 CE1 PHE A 92 0.125 5.965 -0.792 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.503 4.186 -2.289 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.415 4.655 -1.015 1.00 0.00 C ATOM 0 H PHE A 92 -1.270 7.047 -6.697 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.363 7.133 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.300 6.929 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.217 8.287 -4.109 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.316 7.882 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.360 4.690 -4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.055 6.338 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.734 3.146 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.575 3.988 -0.181 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.094 9.683 -3.710 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.355 11.113 -3.699 1.00 0.00 C ATOM 1481 C ILE A 93 -1.890 11.702 -2.366 1.00 0.00 C ATOM 1482 O ILE A 93 -1.897 11.017 -1.345 1.00 0.00 O ATOM 1483 CB ILE A 93 -3.826 11.391 -4.015 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.147 12.879 -3.865 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -4.745 10.517 -3.159 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.541 13.197 -4.410 1.00 0.00 C ATOM 0 H ILE A 93 -2.016 9.257 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 93 -1.785 11.611 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.008 11.126 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.090 13.163 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.401 13.471 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.785 10.734 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.537 9.466 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.568 10.727 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.744 14.261 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.587 12.935 -5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.286 12.622 -3.861 1.00 0.00 H new ATOM 1498 N LYS A 94 -1.498 12.966 -2.419 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.031 13.656 -1.228 1.00 0.00 C ATOM 1500 C LYS A 94 -2.075 14.689 -0.800 1.00 0.00 C ATOM 1501 O LYS A 94 -2.656 15.374 -1.640 1.00 0.00 O ATOM 1502 CB LYS A 94 0.360 14.247 -1.463 1.00 0.00 C ATOM 1503 CG LYS A 94 0.933 14.830 -0.169 1.00 0.00 C ATOM 1504 CD LYS A 94 1.216 16.326 -0.320 1.00 0.00 C ATOM 1505 CE LYS A 94 1.958 16.870 0.903 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.901 17.939 0.504 1.00 0.00 N ATOM 0 H LYS A 94 -1.494 13.531 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.918 12.955 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.028 13.475 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.305 15.026 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.230 14.670 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.852 14.307 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.811 16.499 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.278 16.866 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.242 17.260 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.501 16.063 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.396 18.297 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.595 17.556 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.375 18.716 0.055 1.00 0.00 H new ATOM 1520 N LYS A 95 -2.280 14.769 0.506 1.00 0.00 N ATOM 1521 CA LYS A 95 -3.244 15.708 1.056 1.00 0.00 C ATOM 1522 C LYS A 95 -2.823 17.134 0.696 1.00 0.00 C ATOM 1523 O LYS A 95 -1.864 17.333 -0.049 1.00 0.00 O ATOM 1524 CB LYS A 95 -3.418 15.478 2.559 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.371 14.313 2.829 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.642 14.795 3.532 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.805 14.908 2.545 1.00 0.00 C ATOM 1528 NZ LYS A 95 -7.150 16.328 2.311 1.00 0.00 N ATOM 0 H LYS A 95 -1.796 14.199 1.200 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.228 15.546 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.449 15.272 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.804 16.384 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.633 13.828 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.872 13.565 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.905 14.102 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.460 15.764 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.537 14.433 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.673 14.376 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.941 16.387 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.426 16.771 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.325 16.826 1.919 1.00 0.00 H new