USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 893 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 24 HIS : no HE2:sc= 1.06 K(o=2.4,f=-3) USER MOD Set 1.2: A 94 TYR OH : rot 117:sc= 1.37 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.126 (180deg=-0.505!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0.789 (180deg=0.777) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.3) USER MOD Single : A 17 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.7!) USER MOD Single : A 25 ASN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0228 (180deg=-0.187) USER MOD Single : A 31 ASN : amide:sc= 0.306 K(o=0.31,f=-9!) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0586) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0804 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.23 K(o=0.23,f=-4.9!) USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= -0.0857 (180deg=-0.566) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -70:sc= 0.937 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= -0.0858 (180deg=-0.318) USER MOD Single : A 67 GLN : amide:sc= -1.95 K(o=-1.9,f=-6.1!) USER MOD Single : A 68 ASN : amide:sc= -0.0926 K(o=-0.093,f=-3.5!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.109) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 76 LYS NZ :NH3+ 135:sc= -0.673 (180deg=-1.11) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -29:sc= 0.206 USER MOD Single : A 83 TYR OH : rot -146:sc= 0.642 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.572 K(o=0.57,f=-7.4!) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= 0.47 (180deg=-0.14) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0.998 (180deg=0.761) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 109 HIS : no HE2:sc= 0.553 K(o=0.55,f=-2.9!) USER MOD Single : A 110 HIS : no HD1:sc= -0.385 X(o=-0.39,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.445 -18.017 -14.992 1.00 41.12 N ATOM 2 CA MET A 1 14.264 -17.286 -15.516 1.00 75.21 C ATOM 3 C MET A 1 13.673 -16.345 -14.461 1.00 34.43 C ATOM 4 O MET A 1 12.658 -15.688 -14.712 1.00 22.43 O ATOM 5 CB MET A 1 13.189 -18.271 -16.009 1.00 73.43 C ATOM 6 CG MET A 1 12.610 -19.161 -14.917 1.00 50.21 C ATOM 7 SD MET A 1 13.870 -20.163 -14.106 1.00 34.00 S ATOM 8 CE MET A 1 12.875 -21.095 -12.944 1.00 73.34 C ATOM 0 H1 MET A 1 15.950 -18.471 -15.780 1.00 41.12 H new ATOM 0 H2 MET A 1 16.082 -17.349 -14.512 1.00 41.12 H new ATOM 0 H3 MET A 1 15.132 -18.743 -14.317 1.00 41.12 H new ATOM 0 HA MET A 1 14.601 -16.681 -16.358 1.00 75.21 H new ATOM 0 HB2 MET A 1 12.378 -17.706 -16.470 1.00 73.43 H new ATOM 0 HB3 MET A 1 13.620 -18.902 -16.786 1.00 73.43 H new ATOM 0 HG2 MET A 1 12.109 -18.540 -14.174 1.00 50.21 H new ATOM 0 HG3 MET A 1 11.852 -19.815 -15.349 1.00 50.21 H new ATOM 0 HE1 MET A 1 13.517 -21.761 -12.368 1.00 73.34 H new ATOM 0 HE2 MET A 1 12.366 -20.408 -12.268 1.00 73.34 H new ATOM 0 HE3 MET A 1 12.136 -21.684 -13.488 1.00 73.34 H new ATOM 20 N ILE A 2 14.290 -16.287 -13.275 1.00 31.33 N ATOM 21 CA ILE A 2 13.895 -15.299 -12.271 1.00 71.51 C ATOM 22 C ILE A 2 14.291 -13.905 -12.756 1.00 2.51 C ATOM 23 O ILE A 2 15.404 -13.708 -13.248 1.00 51.24 O ATOM 24 CB ILE A 2 14.523 -15.575 -10.878 1.00 31.14 C ATOM 25 CG1 ILE A 2 16.062 -15.583 -10.956 1.00 54.03 C ATOM 26 CG2 ILE A 2 13.996 -16.892 -10.307 1.00 12.25 C ATOM 27 CD1 ILE A 2 16.746 -15.766 -9.614 1.00 51.34 C ATOM 0 H ILE A 2 15.052 -16.903 -12.992 1.00 31.33 H new ATOM 0 HA ILE A 2 12.814 -15.367 -12.148 1.00 71.51 H new ATOM 0 HB ILE A 2 14.231 -14.769 -10.205 1.00 31.14 H new ATOM 0 HG12 ILE A 2 16.378 -16.383 -11.625 1.00 54.03 H new ATOM 0 HG13 ILE A 2 16.398 -14.646 -11.399 1.00 54.03 H new ATOM 0 HG21 ILE A 2 14.446 -17.071 -9.330 1.00 12.25 H new ATOM 0 HG22 ILE A 2 12.912 -16.836 -10.203 1.00 12.25 H new ATOM 0 HG23 ILE A 2 14.254 -17.709 -10.980 1.00 12.25 H new ATOM 0 HD11 ILE A 2 17.827 -15.761 -9.753 1.00 51.34 H new ATOM 0 HD12 ILE A 2 16.462 -14.952 -8.947 1.00 51.34 H new ATOM 0 HD13 ILE A 2 16.441 -16.717 -9.177 1.00 51.34 H new ATOM 39 N GLY A 3 13.375 -12.951 -12.640 1.00 70.12 N ATOM 40 CA GLY A 3 13.592 -11.645 -13.231 1.00 4.33 C ATOM 41 C GLY A 3 13.410 -11.712 -14.731 1.00 25.02 C ATOM 42 O GLY A 3 14.228 -11.194 -15.489 1.00 70.44 O ATOM 0 H GLY A 3 12.488 -13.058 -12.148 1.00 70.12 H new ATOM 0 HA2 GLY A 3 12.894 -10.925 -12.805 1.00 4.33 H new ATOM 0 HA3 GLY A 3 14.596 -11.294 -12.995 1.00 4.33 H new ATOM 46 N MET A 4 12.317 -12.360 -15.130 1.00 1.41 N ATOM 47 CA MET A 4 12.028 -12.720 -16.524 1.00 20.13 C ATOM 48 C MET A 4 12.344 -11.605 -17.540 1.00 75.10 C ATOM 49 O MET A 4 11.454 -10.866 -17.971 1.00 54.32 O ATOM 50 CB MET A 4 10.555 -13.152 -16.640 1.00 13.11 C ATOM 51 CG MET A 4 9.563 -12.116 -16.119 1.00 10.33 C ATOM 52 SD MET A 4 7.855 -12.694 -16.164 1.00 33.15 S ATOM 53 CE MET A 4 6.991 -11.255 -15.535 1.00 75.15 C ATOM 0 H MET A 4 11.589 -12.658 -14.481 1.00 1.41 H new ATOM 0 HA MET A 4 12.693 -13.544 -16.781 1.00 20.13 H new ATOM 0 HB2 MET A 4 10.330 -13.362 -17.685 1.00 13.11 H new ATOM 0 HB3 MET A 4 10.415 -14.083 -16.090 1.00 13.11 H new ATOM 0 HG2 MET A 4 9.825 -11.853 -15.094 1.00 10.33 H new ATOM 0 HG3 MET A 4 9.649 -11.207 -16.714 1.00 10.33 H new ATOM 0 HE1 MET A 4 5.921 -11.458 -15.503 1.00 75.15 H new ATOM 0 HE2 MET A 4 7.347 -11.027 -14.530 1.00 75.15 H new ATOM 0 HE3 MET A 4 7.179 -10.403 -16.188 1.00 75.15 H new ATOM 63 N SER A 5 13.625 -11.503 -17.913 1.00 64.22 N ATOM 64 CA SER A 5 14.085 -10.572 -18.948 1.00 3.04 C ATOM 65 C SER A 5 13.602 -9.147 -18.675 1.00 72.12 C ATOM 66 O SER A 5 13.426 -8.349 -19.601 1.00 13.41 O ATOM 67 CB SER A 5 13.592 -11.052 -20.320 1.00 61.20 C ATOM 68 OG SER A 5 13.962 -12.404 -20.549 1.00 50.42 O ATOM 0 H SER A 5 14.372 -12.065 -17.505 1.00 64.22 H new ATOM 0 HA SER A 5 15.175 -10.554 -18.937 1.00 3.04 H new ATOM 0 HB2 SER A 5 12.508 -10.953 -20.376 1.00 61.20 H new ATOM 0 HB3 SER A 5 14.010 -10.419 -21.103 1.00 61.20 H new ATOM 0 HG SER A 5 13.636 -12.688 -21.428 1.00 50.42 H new ATOM 74 N GLU A 6 13.414 -8.829 -17.398 1.00 43.14 N ATOM 75 CA GLU A 6 12.816 -7.561 -16.999 1.00 53.44 C ATOM 76 C GLU A 6 13.740 -6.374 -17.261 1.00 64.03 C ATOM 77 O GLU A 6 14.795 -6.235 -16.634 1.00 72.31 O ATOM 78 CB GLU A 6 12.430 -7.593 -15.519 1.00 25.34 C ATOM 79 CG GLU A 6 11.374 -8.634 -15.190 1.00 52.10 C ATOM 80 CD GLU A 6 10.934 -8.568 -13.740 1.00 15.14 C ATOM 81 OE1 GLU A 6 10.005 -7.793 -13.432 1.00 73.30 O ATOM 82 OE2 GLU A 6 11.515 -9.289 -12.903 1.00 62.42 O ATOM 0 H GLU A 6 13.669 -9.436 -16.619 1.00 43.14 H new ATOM 0 HA GLU A 6 11.923 -7.428 -17.610 1.00 53.44 H new ATOM 0 HB2 GLU A 6 13.321 -7.791 -14.924 1.00 25.34 H new ATOM 0 HB3 GLU A 6 12.063 -6.609 -15.226 1.00 25.34 H new ATOM 0 HG2 GLU A 6 10.509 -8.488 -15.837 1.00 52.10 H new ATOM 0 HG3 GLU A 6 11.768 -9.628 -15.403 1.00 52.10 H new ATOM 89 N LYS A 7 13.337 -5.529 -18.205 1.00 51.13 N ATOM 90 CA LYS A 7 13.960 -4.221 -18.405 1.00 13.43 C ATOM 91 C LYS A 7 12.929 -3.134 -18.092 1.00 32.44 C ATOM 92 O LYS A 7 13.085 -1.970 -18.461 1.00 41.22 O ATOM 93 CB LYS A 7 14.505 -4.063 -19.841 1.00 61.42 C ATOM 94 CG LYS A 7 13.441 -4.090 -20.941 1.00 70.42 C ATOM 95 CD LYS A 7 12.987 -5.508 -21.286 1.00 63.33 C ATOM 96 CE LYS A 7 14.079 -6.299 -22.001 1.00 32.34 C ATOM 97 NZ LYS A 7 13.621 -7.664 -22.364 1.00 71.14 N ATOM 0 H LYS A 7 12.573 -5.728 -18.851 1.00 51.13 H new ATOM 0 HA LYS A 7 14.813 -4.128 -17.733 1.00 13.43 H new ATOM 0 HB2 LYS A 7 15.050 -3.121 -19.906 1.00 61.42 H new ATOM 0 HB3 LYS A 7 15.223 -4.860 -20.031 1.00 61.42 H new ATOM 0 HG2 LYS A 7 12.579 -3.504 -20.622 1.00 70.42 H new ATOM 0 HG3 LYS A 7 13.838 -3.612 -21.837 1.00 70.42 H new ATOM 0 HD2 LYS A 7 12.700 -6.029 -20.373 1.00 63.33 H new ATOM 0 HD3 LYS A 7 12.100 -5.461 -21.918 1.00 63.33 H new ATOM 0 HE2 LYS A 7 14.384 -5.766 -22.902 1.00 32.34 H new ATOM 0 HE3 LYS A 7 14.957 -6.369 -21.359 1.00 32.34 H new ATOM 0 HZ1 LYS A 7 14.344 -8.128 -22.950 1.00 71.14 H new ATOM 0 HZ2 LYS A 7 13.467 -8.220 -21.499 1.00 71.14 H new ATOM 0 HZ3 LYS A 7 12.731 -7.601 -22.898 1.00 71.14 H new ATOM 111 N ARG A 8 11.870 -3.547 -17.395 1.00 20.05 N ATOM 112 CA ARG A 8 10.789 -2.654 -16.990 1.00 32.43 C ATOM 113 C ARG A 8 10.863 -2.392 -15.488 1.00 13.22 C ATOM 114 O ARG A 8 11.057 -3.319 -14.700 1.00 54.31 O ATOM 115 CB ARG A 8 9.420 -3.268 -17.344 1.00 71.00 C ATOM 116 CG ARG A 8 8.225 -2.512 -16.757 1.00 12.34 C ATOM 117 CD ARG A 8 8.118 -1.088 -17.296 1.00 64.11 C ATOM 118 NE ARG A 8 7.816 -1.066 -18.728 1.00 45.43 N ATOM 119 CZ ARG A 8 8.396 -0.251 -19.610 1.00 23.31 C ATOM 120 NH1 ARG A 8 9.345 0.595 -19.224 1.00 22.11 N ATOM 121 NH2 ARG A 8 8.026 -0.292 -20.883 1.00 0.32 N ATOM 0 H ARG A 8 11.739 -4.513 -17.096 1.00 20.05 H new ATOM 0 HA ARG A 8 10.900 -1.711 -17.526 1.00 32.43 H new ATOM 0 HB2 ARG A 8 9.318 -3.301 -18.429 1.00 71.00 H new ATOM 0 HB3 ARG A 8 9.394 -4.299 -16.990 1.00 71.00 H new ATOM 0 HG2 ARG A 8 7.307 -3.054 -16.985 1.00 12.34 H new ATOM 0 HG3 ARG A 8 8.315 -2.481 -15.671 1.00 12.34 H new ATOM 0 HD2 ARG A 8 7.340 -0.552 -16.753 1.00 64.11 H new ATOM 0 HD3 ARG A 8 9.054 -0.560 -17.115 1.00 64.11 H new ATOM 0 HE ARG A 8 7.114 -1.719 -19.075 1.00 45.43 H new ATOM 0 HH11 ARG A 8 9.635 0.625 -18.247 1.00 22.11 H new ATOM 0 HH12 ARG A 8 9.783 1.215 -19.905 1.00 22.11 H new ATOM 0 HH21 ARG A 8 7.301 -0.944 -21.183 1.00 0.32 H new ATOM 0 HH22 ARG A 8 8.466 0.329 -21.562 1.00 0.32 H new ATOM 135 N GLY A 9 10.705 -1.132 -15.106 1.00 34.52 N ATOM 136 CA GLY A 9 10.690 -0.765 -13.705 1.00 62.05 C ATOM 137 C GLY A 9 10.019 0.572 -13.487 1.00 15.12 C ATOM 138 O GLY A 9 9.495 1.172 -14.429 1.00 43.14 O ATOM 0 H GLY A 9 10.586 -0.350 -15.750 1.00 34.52 H new ATOM 0 HA2 GLY A 9 10.168 -1.532 -13.133 1.00 62.05 H new ATOM 0 HA3 GLY A 9 11.712 -0.726 -13.328 1.00 62.05 H new ATOM 142 N GLU A 10 10.027 1.028 -12.244 1.00 62.43 N ATOM 143 CA GLU A 10 9.470 2.324 -11.882 1.00 44.51 C ATOM 144 C GLU A 10 9.883 2.648 -10.451 1.00 63.12 C ATOM 145 O GLU A 10 10.914 3.281 -10.221 1.00 21.40 O ATOM 146 CB GLU A 10 7.934 2.330 -12.029 1.00 12.13 C ATOM 147 CG GLU A 10 7.285 3.684 -11.759 1.00 53.30 C ATOM 148 CD GLU A 10 7.656 4.727 -12.800 1.00 41.42 C ATOM 149 OE1 GLU A 10 6.978 4.790 -13.847 1.00 14.11 O ATOM 150 OE2 GLU A 10 8.623 5.483 -12.580 1.00 60.44 O ATOM 0 H GLU A 10 10.419 0.511 -11.457 1.00 62.43 H new ATOM 0 HA GLU A 10 9.858 3.087 -12.556 1.00 44.51 H new ATOM 0 HB2 GLU A 10 7.676 2.011 -13.039 1.00 12.13 H new ATOM 0 HB3 GLU A 10 7.512 1.594 -11.344 1.00 12.13 H new ATOM 0 HG2 GLU A 10 6.202 3.566 -11.738 1.00 53.30 H new ATOM 0 HG3 GLU A 10 7.586 4.037 -10.773 1.00 53.30 H new ATOM 157 N ILE A 11 9.096 2.162 -9.496 1.00 32.23 N ATOM 158 CA ILE A 11 9.399 2.298 -8.081 1.00 43.32 C ATOM 159 C ILE A 11 9.021 0.993 -7.385 1.00 34.15 C ATOM 160 O ILE A 11 7.916 0.844 -6.854 1.00 12.03 O ATOM 161 CB ILE A 11 8.644 3.494 -7.432 1.00 14.03 C ATOM 162 CG1 ILE A 11 8.918 4.793 -8.220 1.00 10.13 C ATOM 163 CG2 ILE A 11 9.053 3.655 -5.966 1.00 12.24 C ATOM 164 CD1 ILE A 11 8.180 6.010 -7.695 1.00 3.30 C ATOM 0 H ILE A 11 8.228 1.661 -9.686 1.00 32.23 H new ATOM 0 HA ILE A 11 10.464 2.501 -7.967 1.00 43.32 H new ATOM 0 HB ILE A 11 7.574 3.289 -7.467 1.00 14.03 H new ATOM 0 HG12 ILE A 11 9.989 4.996 -8.201 1.00 10.13 H new ATOM 0 HG13 ILE A 11 8.641 4.637 -9.263 1.00 10.13 H new ATOM 0 HG21 ILE A 11 8.515 4.496 -5.528 1.00 12.24 H new ATOM 0 HG22 ILE A 11 8.810 2.744 -5.418 1.00 12.24 H new ATOM 0 HG23 ILE A 11 10.126 3.839 -5.906 1.00 12.24 H new ATOM 0 HD11 ILE A 11 8.429 6.878 -8.305 1.00 3.30 H new ATOM 0 HD12 ILE A 11 7.106 5.831 -7.740 1.00 3.30 H new ATOM 0 HD13 ILE A 11 8.474 6.196 -6.662 1.00 3.30 H new ATOM 176 N MET A 12 9.926 0.030 -7.459 1.00 72.32 N ATOM 177 CA MET A 12 9.698 -1.304 -6.916 1.00 64.24 C ATOM 178 C MET A 12 10.236 -1.401 -5.490 1.00 55.43 C ATOM 179 O MET A 12 11.419 -1.155 -5.241 1.00 0.30 O ATOM 180 CB MET A 12 10.335 -2.377 -7.821 1.00 14.44 C ATOM 181 CG MET A 12 11.713 -2.002 -8.363 1.00 70.20 C ATOM 182 SD MET A 12 11.642 -0.636 -9.548 1.00 52.11 S ATOM 183 CE MET A 12 13.383 -0.362 -9.877 1.00 1.13 C ATOM 0 H MET A 12 10.840 0.149 -7.897 1.00 72.32 H new ATOM 0 HA MET A 12 8.624 -1.485 -6.886 1.00 64.24 H new ATOM 0 HB2 MET A 12 10.419 -3.307 -7.259 1.00 14.44 H new ATOM 0 HB3 MET A 12 9.667 -2.571 -8.660 1.00 14.44 H new ATOM 0 HG2 MET A 12 12.364 -1.726 -7.533 1.00 70.20 H new ATOM 0 HG3 MET A 12 12.161 -2.872 -8.843 1.00 70.20 H new ATOM 0 HE1 MET A 12 13.494 0.453 -10.592 1.00 1.13 H new ATOM 0 HE2 MET A 12 13.892 -0.103 -8.949 1.00 1.13 H new ATOM 0 HE3 MET A 12 13.822 -1.270 -10.290 1.00 1.13 H new ATOM 193 N ILE A 13 9.352 -1.748 -4.562 1.00 72.25 N ATOM 194 CA ILE A 13 9.678 -1.792 -3.140 1.00 42.24 C ATOM 195 C ILE A 13 9.767 -3.243 -2.666 1.00 42.13 C ATOM 196 O ILE A 13 8.755 -3.935 -2.584 1.00 65.52 O ATOM 197 CB ILE A 13 8.600 -1.051 -2.305 1.00 64.54 C ATOM 198 CG1 ILE A 13 8.224 0.289 -2.964 1.00 11.11 C ATOM 199 CG2 ILE A 13 9.074 -0.825 -0.869 1.00 75.34 C ATOM 200 CD1 ILE A 13 9.383 1.247 -3.146 1.00 30.43 C ATOM 0 H ILE A 13 8.388 -2.007 -4.773 1.00 72.25 H new ATOM 0 HA ILE A 13 10.640 -1.298 -2.999 1.00 42.24 H new ATOM 0 HB ILE A 13 7.712 -1.682 -2.274 1.00 64.54 H new ATOM 0 HG12 ILE A 13 7.779 0.088 -3.938 1.00 11.11 H new ATOM 0 HG13 ILE A 13 7.459 0.775 -2.358 1.00 11.11 H new ATOM 0 HG21 ILE A 13 8.298 -0.304 -0.308 1.00 75.34 H new ATOM 0 HG22 ILE A 13 9.279 -1.786 -0.398 1.00 75.34 H new ATOM 0 HG23 ILE A 13 9.983 -0.223 -0.876 1.00 75.34 H new ATOM 0 HD11 ILE A 13 9.027 2.163 -3.617 1.00 30.43 H new ATOM 0 HD12 ILE A 13 9.816 1.483 -2.174 1.00 30.43 H new ATOM 0 HD13 ILE A 13 10.141 0.785 -3.778 1.00 30.43 H new ATOM 212 N LEU A 14 10.978 -3.708 -2.382 1.00 5.23 N ATOM 213 CA LEU A 14 11.183 -5.068 -1.890 1.00 63.33 C ATOM 214 C LEU A 14 11.413 -5.049 -0.381 1.00 32.11 C ATOM 215 O LEU A 14 12.400 -4.483 0.097 1.00 4.40 O ATOM 216 CB LEU A 14 12.372 -5.744 -2.603 1.00 42.15 C ATOM 217 CG LEU A 14 12.135 -6.152 -4.073 1.00 75.51 C ATOM 218 CD1 LEU A 14 11.915 -4.930 -4.967 1.00 53.41 C ATOM 219 CD2 LEU A 14 13.297 -7.004 -4.587 1.00 4.33 C ATOM 0 H LEU A 14 11.835 -3.164 -2.484 1.00 5.23 H new ATOM 0 HA LEU A 14 10.286 -5.648 -2.107 1.00 63.33 H new ATOM 0 HB2 LEU A 14 13.225 -5.066 -2.568 1.00 42.15 H new ATOM 0 HB3 LEU A 14 12.649 -6.635 -2.039 1.00 42.15 H new ATOM 0 HG LEU A 14 11.225 -6.751 -4.111 1.00 75.51 H new ATOM 0 HD11 LEU A 14 11.751 -5.255 -5.994 1.00 53.41 H new ATOM 0 HD12 LEU A 14 11.043 -4.377 -4.619 1.00 53.41 H new ATOM 0 HD13 LEU A 14 12.794 -4.286 -4.926 1.00 53.41 H new ATOM 0 HD21 LEU A 14 13.113 -7.282 -5.625 1.00 4.33 H new ATOM 0 HD22 LEU A 14 14.223 -6.433 -4.523 1.00 4.33 H new ATOM 0 HD23 LEU A 14 13.384 -7.905 -3.980 1.00 4.33 H new ATOM 231 N ILE A 15 10.489 -5.650 0.361 1.00 21.45 N ATOM 232 CA ILE A 15 10.582 -5.728 1.818 1.00 5.03 C ATOM 233 C ILE A 15 10.096 -7.094 2.308 1.00 25.14 C ATOM 234 O ILE A 15 9.162 -7.658 1.742 1.00 71.50 O ATOM 235 CB ILE A 15 9.759 -4.602 2.505 1.00 74.32 C ATOM 236 CG1 ILE A 15 9.885 -4.706 4.035 1.00 23.10 C ATOM 237 CG2 ILE A 15 8.292 -4.649 2.070 1.00 13.31 C ATOM 238 CD1 ILE A 15 9.024 -3.722 4.798 1.00 44.24 C ATOM 0 H ILE A 15 9.657 -6.096 -0.027 1.00 21.45 H new ATOM 0 HA ILE A 15 11.630 -5.596 2.088 1.00 5.03 H new ATOM 0 HB ILE A 15 10.165 -3.640 2.191 1.00 74.32 H new ATOM 0 HG12 ILE A 15 9.620 -5.718 4.342 1.00 23.10 H new ATOM 0 HG13 ILE A 15 10.927 -4.551 4.314 1.00 23.10 H new ATOM 0 HG21 ILE A 15 7.740 -3.851 2.566 1.00 13.31 H new ATOM 0 HG22 ILE A 15 8.228 -4.518 0.990 1.00 13.31 H new ATOM 0 HG23 ILE A 15 7.862 -5.612 2.344 1.00 13.31 H new ATOM 0 HD11 ILE A 15 9.173 -3.862 5.869 1.00 44.24 H new ATOM 0 HD12 ILE A 15 9.303 -2.705 4.523 1.00 44.24 H new ATOM 0 HD13 ILE A 15 7.975 -3.889 4.552 1.00 44.24 H new ATOM 250 N GLN A 16 10.757 -7.628 3.342 1.00 21.22 N ATOM 251 CA GLN A 16 10.408 -8.936 3.912 1.00 65.42 C ATOM 252 C GLN A 16 10.389 -10.016 2.827 1.00 42.43 C ATOM 253 O GLN A 16 9.610 -10.968 2.898 1.00 1.42 O ATOM 254 CB GLN A 16 9.051 -8.873 4.641 1.00 23.32 C ATOM 255 CG GLN A 16 9.040 -7.959 5.867 1.00 2.52 C ATOM 256 CD GLN A 16 10.124 -8.307 6.875 1.00 41.33 C ATOM 257 OE1 GLN A 16 11.236 -7.776 6.821 1.00 51.33 O ATOM 258 NE2 GLN A 16 9.813 -9.206 7.797 1.00 5.02 N ATOM 0 H GLN A 16 11.543 -7.171 3.804 1.00 21.22 H new ATOM 0 HA GLN A 16 11.174 -9.200 4.641 1.00 65.42 H new ATOM 0 HB2 GLN A 16 8.290 -8.531 3.940 1.00 23.32 H new ATOM 0 HB3 GLN A 16 8.770 -9.880 4.950 1.00 23.32 H new ATOM 0 HG2 GLN A 16 9.169 -6.926 5.545 1.00 2.52 H new ATOM 0 HG3 GLN A 16 8.066 -8.022 6.352 1.00 2.52 H new ATOM 0 HE21 GLN A 16 8.882 -9.623 7.809 1.00 5.02 H new ATOM 0 HE22 GLN A 16 10.504 -9.481 8.495 1.00 5.02 H new ATOM 267 N ASN A 17 11.273 -9.861 1.840 1.00 52.11 N ATOM 268 CA ASN A 17 11.394 -10.806 0.722 1.00 61.31 C ATOM 269 C ASN A 17 10.118 -10.824 -0.123 1.00 24.11 C ATOM 270 O ASN A 17 9.795 -11.825 -0.765 1.00 20.13 O ATOM 271 CB ASN A 17 11.728 -12.224 1.225 1.00 2.23 C ATOM 272 CG ASN A 17 13.077 -12.306 1.928 1.00 12.21 C ATOM 273 OD1 ASN A 17 13.528 -11.344 2.557 1.00 61.02 O ATOM 274 ND2 ASN A 17 13.735 -13.450 1.819 1.00 21.41 N ATOM 0 H ASN A 17 11.926 -9.079 1.791 1.00 52.11 H new ATOM 0 HA ASN A 17 12.217 -10.467 0.092 1.00 61.31 H new ATOM 0 HB2 ASN A 17 10.947 -12.553 1.910 1.00 2.23 H new ATOM 0 HB3 ASN A 17 11.722 -12.913 0.381 1.00 2.23 H new ATOM 0 HD21 ASN A 17 14.647 -13.558 2.263 1.00 21.41 H new ATOM 0 HD22 ASN A 17 13.330 -14.223 1.291 1.00 21.41 H new ATOM 281 N ALA A 18 9.404 -9.703 -0.122 1.00 14.22 N ATOM 282 CA ALA A 18 8.220 -9.524 -0.959 1.00 41.03 C ATOM 283 C ALA A 18 8.445 -8.361 -1.927 1.00 60.41 C ATOM 284 O ALA A 18 8.900 -7.287 -1.522 1.00 22.55 O ATOM 285 CB ALA A 18 6.985 -9.279 -0.096 1.00 20.11 C ATOM 0 H ALA A 18 9.628 -8.894 0.457 1.00 14.22 H new ATOM 0 HA ALA A 18 8.051 -10.434 -1.535 1.00 41.03 H new ATOM 0 HB1 ALA A 18 6.113 -9.148 -0.737 1.00 20.11 H new ATOM 0 HB2 ALA A 18 6.826 -10.133 0.563 1.00 20.11 H new ATOM 0 HB3 ALA A 18 7.133 -8.381 0.504 1.00 20.11 H new ATOM 291 N GLU A 19 8.140 -8.586 -3.202 1.00 21.22 N ATOM 292 CA GLU A 19 8.359 -7.592 -4.250 1.00 21.33 C ATOM 293 C GLU A 19 7.080 -6.779 -4.472 1.00 34.31 C ATOM 294 O GLU A 19 6.015 -7.348 -4.719 1.00 3.35 O ATOM 295 CB GLU A 19 8.782 -8.307 -5.548 1.00 41.04 C ATOM 296 CG GLU A 19 9.339 -7.387 -6.632 1.00 53.21 C ATOM 297 CD GLU A 19 9.799 -8.154 -7.869 1.00 54.43 C ATOM 298 OE1 GLU A 19 10.957 -8.633 -7.888 1.00 63.22 O ATOM 299 OE2 GLU A 19 9.005 -8.286 -8.828 1.00 71.30 O ATOM 0 H GLU A 19 7.735 -9.460 -3.538 1.00 21.22 H new ATOM 0 HA GLU A 19 9.152 -6.907 -3.949 1.00 21.33 H new ATOM 0 HB2 GLU A 19 9.535 -9.057 -5.305 1.00 41.04 H new ATOM 0 HB3 GLU A 19 7.920 -8.840 -5.950 1.00 41.04 H new ATOM 0 HG2 GLU A 19 8.575 -6.665 -6.919 1.00 53.21 H new ATOM 0 HG3 GLU A 19 10.177 -6.820 -6.227 1.00 53.21 H new ATOM 306 N PHE A 20 7.181 -5.455 -4.352 1.00 75.12 N ATOM 307 CA PHE A 20 6.041 -4.557 -4.567 1.00 15.54 C ATOM 308 C PHE A 20 6.370 -3.526 -5.642 1.00 44.40 C ATOM 309 O PHE A 20 7.539 -3.273 -5.934 1.00 74.33 O ATOM 310 CB PHE A 20 5.671 -3.821 -3.268 1.00 75.25 C ATOM 311 CG PHE A 20 5.216 -4.715 -2.144 1.00 32.21 C ATOM 312 CD1 PHE A 20 3.879 -5.058 -2.013 1.00 52.10 C ATOM 313 CD2 PHE A 20 6.122 -5.206 -1.216 1.00 61.22 C ATOM 314 CE1 PHE A 20 3.456 -5.872 -0.981 1.00 55.15 C ATOM 315 CE2 PHE A 20 5.703 -6.021 -0.183 1.00 22.53 C ATOM 316 CZ PHE A 20 4.368 -6.354 -0.065 1.00 64.21 C ATOM 0 H PHE A 20 8.047 -4.976 -4.105 1.00 75.12 H new ATOM 0 HA PHE A 20 5.196 -5.166 -4.889 1.00 15.54 H new ATOM 0 HB2 PHE A 20 6.536 -3.249 -2.932 1.00 75.25 H new ATOM 0 HB3 PHE A 20 4.880 -3.103 -3.486 1.00 75.25 H new ATOM 0 HD1 PHE A 20 3.160 -4.684 -2.727 1.00 52.10 H new ATOM 0 HD2 PHE A 20 7.167 -4.948 -1.302 1.00 61.22 H new ATOM 0 HE1 PHE A 20 2.411 -6.131 -0.891 1.00 55.15 H new ATOM 0 HE2 PHE A 20 6.419 -6.398 0.532 1.00 22.53 H new ATOM 0 HZ PHE A 20 4.039 -6.991 0.743 1.00 64.21 H new ATOM 326 N GLU A 21 5.330 -2.926 -6.215 1.00 2.04 N ATOM 327 CA GLU A 21 5.486 -1.842 -7.184 1.00 13.12 C ATOM 328 C GLU A 21 4.523 -0.701 -6.841 1.00 32.14 C ATOM 329 O GLU A 21 3.335 -0.933 -6.605 1.00 42.41 O ATOM 330 CB GLU A 21 5.228 -2.351 -8.619 1.00 42.23 C ATOM 331 CG GLU A 21 3.817 -2.903 -8.846 1.00 72.22 C ATOM 332 CD GLU A 21 3.543 -3.292 -10.296 1.00 43.13 C ATOM 333 OE1 GLU A 21 3.870 -2.497 -11.204 1.00 63.30 O ATOM 334 OE2 GLU A 21 2.993 -4.394 -10.540 1.00 75.50 O ATOM 0 H GLU A 21 4.360 -3.175 -6.023 1.00 2.04 H new ATOM 0 HA GLU A 21 6.510 -1.472 -7.136 1.00 13.12 H new ATOM 0 HB2 GLU A 21 5.403 -1.534 -9.319 1.00 42.23 H new ATOM 0 HB3 GLU A 21 5.953 -3.131 -8.851 1.00 42.23 H new ATOM 0 HG2 GLU A 21 3.670 -3.776 -8.210 1.00 72.22 H new ATOM 0 HG3 GLU A 21 3.088 -2.155 -8.535 1.00 72.22 H new ATOM 341 N LEU A 22 5.043 0.523 -6.773 1.00 35.13 N ATOM 342 CA LEU A 22 4.204 1.698 -6.543 1.00 64.43 C ATOM 343 C LEU A 22 3.427 2.024 -7.813 1.00 50.22 C ATOM 344 O LEU A 22 3.975 2.590 -8.763 1.00 34.04 O ATOM 345 CB LEU A 22 5.049 2.907 -6.113 1.00 30.21 C ATOM 346 CG LEU A 22 4.265 4.223 -5.926 1.00 70.44 C ATOM 347 CD1 LEU A 22 3.209 4.083 -4.830 1.00 51.21 C ATOM 348 CD2 LEU A 22 5.211 5.378 -5.615 1.00 40.14 C ATOM 0 H LEU A 22 6.037 0.727 -6.873 1.00 35.13 H new ATOM 0 HA LEU A 22 3.507 1.474 -5.736 1.00 64.43 H new ATOM 0 HB2 LEU A 22 5.550 2.665 -5.176 1.00 30.21 H new ATOM 0 HB3 LEU A 22 5.828 3.069 -6.858 1.00 30.21 H new ATOM 0 HG LEU A 22 3.753 4.442 -6.863 1.00 70.44 H new ATOM 0 HD11 LEU A 22 2.672 5.025 -4.720 1.00 51.21 H new ATOM 0 HD12 LEU A 22 2.507 3.294 -5.100 1.00 51.21 H new ATOM 0 HD13 LEU A 22 3.694 3.830 -3.887 1.00 51.21 H new ATOM 0 HD21 LEU A 22 4.636 6.295 -5.487 1.00 40.14 H new ATOM 0 HD22 LEU A 22 5.759 5.163 -4.698 1.00 40.14 H new ATOM 0 HD23 LEU A 22 5.915 5.503 -6.437 1.00 40.14 H new ATOM 360 N VAL A 23 2.156 1.645 -7.831 1.00 44.23 N ATOM 361 CA VAL A 23 1.329 1.795 -9.021 1.00 74.32 C ATOM 362 C VAL A 23 0.661 3.167 -9.067 1.00 70.30 C ATOM 363 O VAL A 23 0.537 3.766 -10.136 1.00 43.03 O ATOM 364 CB VAL A 23 0.257 0.679 -9.103 1.00 41.41 C ATOM 365 CG1 VAL A 23 0.924 -0.692 -9.060 1.00 43.41 C ATOM 366 CG2 VAL A 23 -0.779 0.809 -7.984 1.00 0.04 C ATOM 0 H VAL A 23 1.674 1.231 -7.033 1.00 44.23 H new ATOM 0 HA VAL A 23 1.989 1.706 -9.884 1.00 74.32 H new ATOM 0 HB VAL A 23 -0.270 0.788 -10.051 1.00 41.41 H new ATOM 0 HG11 VAL A 23 0.162 -1.469 -9.118 1.00 43.41 H new ATOM 0 HG12 VAL A 23 1.608 -0.790 -9.903 1.00 43.41 H new ATOM 0 HG13 VAL A 23 1.479 -0.797 -8.128 1.00 43.41 H new ATOM 0 HG21 VAL A 23 -1.514 0.009 -8.074 1.00 0.04 H new ATOM 0 HG22 VAL A 23 -0.281 0.737 -7.017 1.00 0.04 H new ATOM 0 HG23 VAL A 23 -1.281 1.774 -8.063 1.00 0.04 H new ATOM 376 N HIS A 24 0.259 3.675 -7.905 1.00 14.22 N ATOM 377 CA HIS A 24 -0.453 4.950 -7.830 1.00 52.31 C ATOM 378 C HIS A 24 0.029 5.757 -6.627 1.00 4.54 C ATOM 379 O HIS A 24 0.150 5.224 -5.525 1.00 43.11 O ATOM 380 CB HIS A 24 -1.967 4.699 -7.732 1.00 1.31 C ATOM 381 CG HIS A 24 -2.808 5.935 -7.864 1.00 41.32 C ATOM 382 ND1 HIS A 24 -3.322 6.368 -9.065 1.00 12.24 N ATOM 383 CD2 HIS A 24 -3.237 6.822 -6.934 1.00 51.13 C ATOM 384 CE1 HIS A 24 -4.034 7.462 -8.871 1.00 40.01 C ATOM 385 NE2 HIS A 24 -3.999 7.762 -7.585 1.00 64.11 N ATOM 0 H HIS A 24 0.413 3.225 -7.003 1.00 14.22 H new ATOM 0 HA HIS A 24 -0.247 5.522 -8.735 1.00 52.31 H new ATOM 0 HB2 HIS A 24 -2.257 3.992 -8.509 1.00 1.31 H new ATOM 0 HB3 HIS A 24 -2.184 4.227 -6.774 1.00 1.31 H new ATOM 0 HD1 HIS A 24 -3.175 5.913 -9.966 1.00 12.24 H new ATOM 0 HD2 HIS A 24 -3.020 6.795 -5.876 1.00 51.13 H new ATOM 0 HE1 HIS A 24 -4.557 8.018 -9.635 1.00 40.01 H new ATOM 394 N ASN A 25 0.295 7.039 -6.851 1.00 31.54 N ATOM 395 CA ASN A 25 0.779 7.938 -5.807 1.00 10.41 C ATOM 396 C ASN A 25 0.176 9.323 -6.000 1.00 2.20 C ATOM 397 O ASN A 25 0.219 9.881 -7.097 1.00 32.14 O ATOM 398 CB ASN A 25 2.314 8.013 -5.844 1.00 60.44 C ATOM 399 CG ASN A 25 2.900 9.005 -4.846 1.00 24.34 C ATOM 400 OD1 ASN A 25 2.344 9.241 -3.768 1.00 75.32 O ATOM 401 ND2 ASN A 25 4.035 9.593 -5.201 1.00 51.00 N ATOM 0 H ASN A 25 0.182 7.485 -7.761 1.00 31.54 H new ATOM 0 HA ASN A 25 0.474 7.553 -4.834 1.00 10.41 H new ATOM 0 HB2 ASN A 25 2.723 7.023 -5.642 1.00 60.44 H new ATOM 0 HB3 ASN A 25 2.632 8.291 -6.849 1.00 60.44 H new ATOM 0 HD21 ASN A 25 4.478 10.266 -4.575 1.00 51.00 H new ATOM 0 HD22 ASN A 25 4.464 9.372 -6.100 1.00 51.00 H new ATOM 408 N PHE A 26 -0.406 9.866 -4.939 1.00 21.24 N ATOM 409 CA PHE A 26 -1.009 11.194 -4.982 1.00 12.54 C ATOM 410 C PHE A 26 -0.415 12.077 -3.902 1.00 54.11 C ATOM 411 O PHE A 26 -0.262 11.652 -2.753 1.00 24.02 O ATOM 412 CB PHE A 26 -2.536 11.105 -4.810 1.00 72.51 C ATOM 413 CG PHE A 26 -3.228 12.440 -4.588 1.00 62.12 C ATOM 414 CD1 PHE A 26 -2.977 13.533 -5.415 1.00 25.15 C ATOM 415 CD2 PHE A 26 -4.139 12.597 -3.551 1.00 41.54 C ATOM 416 CE1 PHE A 26 -3.616 14.741 -5.207 1.00 44.43 C ATOM 417 CE2 PHE A 26 -4.780 13.804 -3.345 1.00 12.04 C ATOM 418 CZ PHE A 26 -4.520 14.876 -4.174 1.00 42.50 C ATOM 0 H PHE A 26 -0.474 9.405 -4.032 1.00 21.24 H new ATOM 0 HA PHE A 26 -0.796 11.634 -5.956 1.00 12.54 H new ATOM 0 HB2 PHE A 26 -2.961 10.634 -5.696 1.00 72.51 H new ATOM 0 HB3 PHE A 26 -2.756 10.452 -3.965 1.00 72.51 H new ATOM 0 HD1 PHE A 26 -2.274 13.435 -6.229 1.00 25.15 H new ATOM 0 HD2 PHE A 26 -4.349 11.764 -2.897 1.00 41.54 H new ATOM 0 HE1 PHE A 26 -3.407 15.580 -5.854 1.00 44.43 H new ATOM 0 HE2 PHE A 26 -5.485 13.908 -2.534 1.00 12.04 H new ATOM 0 HZ PHE A 26 -5.023 15.818 -4.014 1.00 42.50 H new ATOM 428 N LYS A 27 -0.056 13.295 -4.297 1.00 33.12 N ATOM 429 CA LYS A 27 0.394 14.320 -3.366 1.00 21.45 C ATOM 430 C LYS A 27 1.701 13.894 -2.702 1.00 22.13 C ATOM 431 O LYS A 27 2.070 14.407 -1.642 1.00 12.43 O ATOM 432 CB LYS A 27 -0.708 14.584 -2.319 1.00 31.43 C ATOM 433 CG LYS A 27 -0.775 16.018 -1.785 1.00 41.41 C ATOM 434 CD LYS A 27 -1.587 16.953 -2.694 1.00 44.11 C ATOM 435 CE LYS A 27 -0.887 17.263 -4.016 1.00 33.11 C ATOM 436 NZ LYS A 27 0.382 18.010 -3.809 1.00 61.44 N ATOM 0 H LYS A 27 -0.069 13.597 -5.271 1.00 33.12 H new ATOM 0 HA LYS A 27 0.585 15.247 -3.907 1.00 21.45 H new ATOM 0 HB2 LYS A 27 -1.673 14.333 -2.760 1.00 31.43 H new ATOM 0 HB3 LYS A 27 -0.556 13.908 -1.478 1.00 31.43 H new ATOM 0 HG2 LYS A 27 -1.219 16.010 -0.790 1.00 41.41 H new ATOM 0 HG3 LYS A 27 0.237 16.409 -1.679 1.00 41.41 H new ATOM 0 HD2 LYS A 27 -2.555 16.497 -2.901 1.00 44.11 H new ATOM 0 HD3 LYS A 27 -1.780 17.886 -2.165 1.00 44.11 H new ATOM 0 HE2 LYS A 27 -0.679 16.332 -4.544 1.00 33.11 H new ATOM 0 HE3 LYS A 27 -1.553 17.847 -4.651 1.00 33.11 H new ATOM 0 HZ1 LYS A 27 0.722 18.377 -4.721 1.00 61.44 H new ATOM 0 HZ2 LYS A 27 0.216 18.803 -3.157 1.00 61.44 H new ATOM 0 HZ3 LYS A 27 1.098 17.373 -3.404 1.00 61.44 H new ATOM 450 N ASP A 28 2.398 12.957 -3.351 1.00 10.04 N ATOM 451 CA ASP A 28 3.660 12.421 -2.847 1.00 1.15 C ATOM 452 C ASP A 28 3.469 11.831 -1.457 1.00 60.35 C ATOM 453 O ASP A 28 4.341 11.938 -0.592 1.00 13.51 O ATOM 454 CB ASP A 28 4.751 13.504 -2.840 1.00 12.32 C ATOM 455 CG ASP A 28 5.085 13.991 -4.241 1.00 52.50 C ATOM 456 OD1 ASP A 28 5.684 13.215 -5.013 1.00 71.20 O ATOM 457 OD2 ASP A 28 4.729 15.139 -4.588 1.00 73.31 O ATOM 0 H ASP A 28 2.102 12.551 -4.239 1.00 10.04 H new ATOM 0 HA ASP A 28 3.986 11.624 -3.515 1.00 1.15 H new ATOM 0 HB2 ASP A 28 4.420 14.347 -2.233 1.00 12.32 H new ATOM 0 HB3 ASP A 28 5.651 13.107 -2.371 1.00 12.32 H new ATOM 462 N GLY A 29 2.315 11.202 -1.254 1.00 73.44 N ATOM 463 CA GLY A 29 2.018 10.565 0.015 1.00 62.34 C ATOM 464 C GLY A 29 2.879 9.343 0.259 1.00 44.24 C ATOM 465 O GLY A 29 2.971 8.854 1.387 1.00 64.53 O ATOM 0 H GLY A 29 1.576 11.122 -1.952 1.00 73.44 H new ATOM 0 HA2 GLY A 29 2.170 11.281 0.823 1.00 62.34 H new ATOM 0 HA3 GLY A 29 0.967 10.277 0.037 1.00 62.34 H new ATOM 469 N PHE A 30 3.508 8.845 -0.801 1.00 31.15 N ATOM 470 CA PHE A 30 4.383 7.687 -0.694 1.00 33.15 C ATOM 471 C PHE A 30 5.667 8.028 0.064 1.00 5.11 C ATOM 472 O PHE A 30 6.612 8.590 -0.497 1.00 14.11 O ATOM 473 CB PHE A 30 4.721 7.120 -2.080 1.00 44.31 C ATOM 474 CG PHE A 30 5.665 5.941 -2.023 1.00 52.01 C ATOM 475 CD1 PHE A 30 5.241 4.721 -1.514 1.00 71.14 C ATOM 476 CD2 PHE A 30 6.981 6.057 -2.456 1.00 53.43 C ATOM 477 CE1 PHE A 30 6.105 3.646 -1.442 1.00 34.20 C ATOM 478 CE2 PHE A 30 7.846 4.984 -2.381 1.00 43.14 C ATOM 479 CZ PHE A 30 7.406 3.778 -1.873 1.00 55.51 C ATOM 0 H PHE A 30 3.427 9.227 -1.743 1.00 31.15 H new ATOM 0 HA PHE A 30 3.845 6.925 -0.130 1.00 33.15 H new ATOM 0 HB2 PHE A 30 3.799 6.816 -2.577 1.00 44.31 H new ATOM 0 HB3 PHE A 30 5.167 7.906 -2.689 1.00 44.31 H new ATOM 0 HD1 PHE A 30 4.223 4.611 -1.170 1.00 71.14 H new ATOM 0 HD2 PHE A 30 7.331 6.997 -2.856 1.00 53.43 H new ATOM 0 HE1 PHE A 30 5.760 2.702 -1.048 1.00 34.20 H new ATOM 0 HE2 PHE A 30 8.866 5.088 -2.719 1.00 43.14 H new ATOM 0 HZ PHE A 30 8.082 2.938 -1.814 1.00 55.51 H new ATOM 489 N ASN A 31 5.673 7.708 1.351 1.00 34.42 N ATOM 490 CA ASN A 31 6.871 7.812 2.177 1.00 32.25 C ATOM 491 C ASN A 31 7.383 6.402 2.478 1.00 53.22 C ATOM 492 O ASN A 31 6.720 5.636 3.182 1.00 20.21 O ATOM 493 CB ASN A 31 6.555 8.571 3.473 1.00 10.23 C ATOM 494 CG ASN A 31 7.788 8.805 4.333 1.00 13.13 C ATOM 495 OD1 ASN A 31 8.140 7.974 5.167 1.00 12.31 O ATOM 496 ND2 ASN A 31 8.447 9.939 4.141 1.00 23.00 N ATOM 0 H ASN A 31 4.851 7.370 1.852 1.00 34.42 H new ATOM 0 HA ASN A 31 7.644 8.368 1.647 1.00 32.25 H new ATOM 0 HB2 ASN A 31 6.102 9.531 3.226 1.00 10.23 H new ATOM 0 HB3 ASN A 31 5.818 8.010 4.047 1.00 10.23 H new ATOM 0 HD21 ASN A 31 9.278 10.146 4.696 1.00 23.00 H new ATOM 0 HD22 ASN A 31 8.124 10.604 3.439 1.00 23.00 H new ATOM 503 N GLU A 32 8.547 6.061 1.928 1.00 53.01 N ATOM 504 CA GLU A 32 9.043 4.682 1.957 1.00 3.45 C ATOM 505 C GLU A 32 9.237 4.166 3.383 1.00 41.42 C ATOM 506 O GLU A 32 8.725 3.098 3.731 1.00 14.31 O ATOM 507 CB GLU A 32 10.352 4.567 1.156 1.00 32.34 C ATOM 508 CG GLU A 32 10.999 3.175 1.192 1.00 12.05 C ATOM 509 CD GLU A 32 12.292 3.118 2.001 1.00 23.43 C ATOM 510 OE1 GLU A 32 12.572 4.065 2.771 1.00 14.42 O ATOM 511 OE2 GLU A 32 13.033 2.120 1.871 1.00 20.24 O ATOM 0 H GLU A 32 9.166 6.720 1.456 1.00 53.01 H new ATOM 0 HA GLU A 32 8.284 4.054 1.491 1.00 3.45 H new ATOM 0 HB2 GLU A 32 10.153 4.835 0.118 1.00 32.34 H new ATOM 0 HB3 GLU A 32 11.065 5.295 1.542 1.00 32.34 H new ATOM 0 HG2 GLU A 32 10.287 2.464 1.612 1.00 12.05 H new ATOM 0 HG3 GLU A 32 11.206 2.854 0.171 1.00 12.05 H new ATOM 518 N GLU A 33 9.958 4.922 4.210 1.00 33.44 N ATOM 519 CA GLU A 33 10.235 4.487 5.580 1.00 4.14 C ATOM 520 C GLU A 33 8.934 4.309 6.362 1.00 2.02 C ATOM 521 O GLU A 33 8.785 3.350 7.119 1.00 55.34 O ATOM 522 CB GLU A 33 11.175 5.460 6.312 1.00 0.34 C ATOM 523 CG GLU A 33 10.659 6.891 6.406 1.00 34.43 C ATOM 524 CD GLU A 33 11.505 7.759 7.324 1.00 31.51 C ATOM 525 OE1 GLU A 33 12.668 8.040 6.975 1.00 21.02 O ATOM 526 OE2 GLU A 33 11.010 8.164 8.399 1.00 23.44 O ATOM 0 H GLU A 33 10.357 5.827 3.961 1.00 33.44 H new ATOM 0 HA GLU A 33 10.743 3.525 5.519 1.00 4.14 H new ATOM 0 HB2 GLU A 33 11.352 5.085 7.320 1.00 0.34 H new ATOM 0 HB3 GLU A 33 12.138 5.468 5.801 1.00 0.34 H new ATOM 0 HG2 GLU A 33 10.641 7.333 5.410 1.00 34.43 H new ATOM 0 HG3 GLU A 33 9.631 6.880 6.769 1.00 34.43 H new ATOM 533 N ALA A 34 7.988 5.226 6.154 1.00 73.14 N ATOM 534 CA ALA A 34 6.683 5.143 6.800 1.00 21.31 C ATOM 535 C ALA A 34 5.974 3.856 6.394 1.00 63.23 C ATOM 536 O ALA A 34 5.466 3.124 7.242 1.00 44.10 O ATOM 537 CB ALA A 34 5.832 6.357 6.448 1.00 3.13 C ATOM 0 H ALA A 34 8.104 6.034 5.542 1.00 73.14 H new ATOM 0 HA ALA A 34 6.831 5.132 7.880 1.00 21.31 H new ATOM 0 HB1 ALA A 34 4.862 6.276 6.939 1.00 3.13 H new ATOM 0 HB2 ALA A 34 6.335 7.264 6.784 1.00 3.13 H new ATOM 0 HB3 ALA A 34 5.689 6.400 5.368 1.00 3.13 H new ATOM 543 N PHE A 35 5.964 3.577 5.091 1.00 11.14 N ATOM 544 CA PHE A 35 5.342 2.366 4.563 1.00 4.42 C ATOM 545 C PHE A 35 5.931 1.121 5.223 1.00 71.41 C ATOM 546 O PHE A 35 5.212 0.329 5.831 1.00 63.33 O ATOM 547 CB PHE A 35 5.522 2.283 3.035 1.00 52.40 C ATOM 548 CG PHE A 35 5.157 0.932 2.459 1.00 14.24 C ATOM 549 CD1 PHE A 35 3.831 0.582 2.251 1.00 63.11 C ATOM 550 CD2 PHE A 35 6.147 0.008 2.143 1.00 44.53 C ATOM 551 CE1 PHE A 35 3.500 -0.660 1.743 1.00 3.43 C ATOM 552 CE2 PHE A 35 5.821 -1.233 1.632 1.00 5.45 C ATOM 553 CZ PHE A 35 4.495 -1.569 1.433 1.00 30.44 C ATOM 0 H PHE A 35 6.382 4.177 4.380 1.00 11.14 H new ATOM 0 HA PHE A 35 4.277 2.412 4.790 1.00 4.42 H new ATOM 0 HB2 PHE A 35 4.908 3.049 2.562 1.00 52.40 H new ATOM 0 HB3 PHE A 35 6.559 2.508 2.786 1.00 52.40 H new ATOM 0 HD1 PHE A 35 3.049 1.288 2.489 1.00 63.11 H new ATOM 0 HD2 PHE A 35 7.184 0.264 2.299 1.00 44.53 H new ATOM 0 HE1 PHE A 35 2.463 -0.921 1.588 1.00 3.43 H new ATOM 0 HE2 PHE A 35 6.601 -1.940 1.388 1.00 5.45 H new ATOM 0 HZ PHE A 35 4.237 -2.540 1.036 1.00 30.44 H new ATOM 563 N LYS A 36 7.247 0.970 5.115 1.00 60.20 N ATOM 564 CA LYS A 36 7.923 -0.231 5.593 1.00 14.32 C ATOM 565 C LYS A 36 7.874 -0.327 7.118 1.00 13.33 C ATOM 566 O LYS A 36 8.051 -1.407 7.685 1.00 4.04 O ATOM 567 CB LYS A 36 9.366 -0.267 5.074 1.00 24.12 C ATOM 568 CG LYS A 36 10.234 0.893 5.543 1.00 42.32 C ATOM 569 CD LYS A 36 11.529 0.988 4.739 1.00 42.14 C ATOM 570 CE LYS A 36 12.379 -0.272 4.855 1.00 62.10 C ATOM 571 NZ LYS A 36 12.821 -0.530 6.253 1.00 4.44 N ATOM 0 H LYS A 36 7.867 1.665 4.700 1.00 60.20 H new ATOM 0 HA LYS A 36 7.397 -1.102 5.201 1.00 14.32 H new ATOM 0 HB2 LYS A 36 9.829 -1.202 5.390 1.00 24.12 H new ATOM 0 HB3 LYS A 36 9.347 -0.273 3.984 1.00 24.12 H new ATOM 0 HG2 LYS A 36 9.678 1.826 5.449 1.00 42.32 H new ATOM 0 HG3 LYS A 36 10.470 0.768 6.600 1.00 42.32 H new ATOM 0 HD2 LYS A 36 11.290 1.167 3.691 1.00 42.14 H new ATOM 0 HD3 LYS A 36 12.106 1.845 5.085 1.00 42.14 H new ATOM 0 HE2 LYS A 36 11.808 -1.127 4.493 1.00 62.10 H new ATOM 0 HE3 LYS A 36 13.254 -0.178 4.212 1.00 62.10 H new ATOM 0 HZ1 LYS A 36 13.478 -1.336 6.266 1.00 4.44 H new ATOM 0 HZ2 LYS A 36 13.301 0.314 6.627 1.00 4.44 H new ATOM 0 HZ3 LYS A 36 11.993 -0.748 6.844 1.00 4.44 H new ATOM 585 N ALA A 37 7.630 0.801 7.778 1.00 75.33 N ATOM 586 CA ALA A 37 7.449 0.817 9.228 1.00 41.22 C ATOM 587 C ALA A 37 6.024 0.404 9.595 1.00 40.12 C ATOM 588 O ALA A 37 5.781 -0.160 10.665 1.00 24.42 O ATOM 589 CB ALA A 37 7.767 2.199 9.792 1.00 12.21 C ATOM 0 H ALA A 37 7.553 1.716 7.333 1.00 75.33 H new ATOM 0 HA ALA A 37 8.140 0.098 9.668 1.00 41.22 H new ATOM 0 HB1 ALA A 37 7.627 2.192 10.873 1.00 12.21 H new ATOM 0 HB2 ALA A 37 8.801 2.457 9.562 1.00 12.21 H new ATOM 0 HB3 ALA A 37 7.101 2.937 9.344 1.00 12.21 H new ATOM 595 N ARG A 38 5.082 0.686 8.696 1.00 54.24 N ATOM 596 CA ARG A 38 3.675 0.361 8.913 1.00 41.31 C ATOM 597 C ARG A 38 3.350 -1.028 8.367 1.00 12.35 C ATOM 598 O ARG A 38 2.306 -1.604 8.685 1.00 65.41 O ATOM 599 CB ARG A 38 2.788 1.423 8.246 1.00 33.34 C ATOM 600 CG ARG A 38 2.944 2.821 8.847 1.00 65.14 C ATOM 601 CD ARG A 38 2.361 2.907 10.253 1.00 11.32 C ATOM 602 NE ARG A 38 0.902 2.797 10.232 1.00 43.34 N ATOM 603 CZ ARG A 38 0.206 1.795 10.766 1.00 5.14 C ATOM 604 NH1 ARG A 38 0.827 0.791 11.374 1.00 44.21 N ATOM 605 NH2 ARG A 38 -1.114 1.804 10.679 1.00 23.12 N ATOM 0 H ARG A 38 5.271 1.143 7.804 1.00 54.24 H new ATOM 0 HA ARG A 38 3.477 0.356 9.985 1.00 41.31 H new ATOM 0 HB2 ARG A 38 3.025 1.466 7.183 1.00 33.34 H new ATOM 0 HB3 ARG A 38 1.745 1.116 8.328 1.00 33.34 H new ATOM 0 HG2 ARG A 38 4.001 3.087 8.876 1.00 65.14 H new ATOM 0 HG3 ARG A 38 2.449 3.549 8.204 1.00 65.14 H new ATOM 0 HD2 ARG A 38 2.779 2.112 10.871 1.00 11.32 H new ATOM 0 HD3 ARG A 38 2.650 3.853 10.711 1.00 11.32 H new ATOM 0 HE ARG A 38 0.379 3.544 9.774 1.00 43.34 H new ATOM 0 HH11 ARG A 38 1.845 0.783 11.435 1.00 44.21 H new ATOM 0 HH12 ARG A 38 0.286 0.028 11.780 1.00 44.21 H new ATOM 0 HH21 ARG A 38 -1.589 2.573 10.206 1.00 23.12 H new ATOM 0 HH22 ARG A 38 -1.657 1.042 11.084 1.00 23.12 H new ATOM 619 N TYR A 39 4.259 -1.559 7.553 1.00 64.03 N ATOM 620 CA TYR A 39 4.071 -2.856 6.911 1.00 34.15 C ATOM 621 C TYR A 39 4.007 -3.982 7.945 1.00 20.12 C ATOM 622 O TYR A 39 4.537 -3.858 9.055 1.00 53.54 O ATOM 623 CB TYR A 39 5.201 -3.117 5.900 1.00 2.24 C ATOM 624 CG TYR A 39 5.034 -4.406 5.111 1.00 52.31 C ATOM 625 CD1 TYR A 39 4.110 -4.493 4.073 1.00 34.10 C ATOM 626 CD2 TYR A 39 5.791 -5.535 5.409 1.00 14.51 C ATOM 627 CE1 TYR A 39 3.949 -5.666 3.359 1.00 54.30 C ATOM 628 CE2 TYR A 39 5.635 -6.708 4.699 1.00 73.54 C ATOM 629 CZ TYR A 39 4.713 -6.769 3.675 1.00 14.14 C ATOM 630 OH TYR A 39 4.558 -7.939 2.966 1.00 10.33 O ATOM 0 H TYR A 39 5.142 -1.105 7.321 1.00 64.03 H new ATOM 0 HA TYR A 39 3.119 -2.837 6.380 1.00 34.15 H new ATOM 0 HB2 TYR A 39 5.253 -2.280 5.204 1.00 2.24 H new ATOM 0 HB3 TYR A 39 6.152 -3.148 6.432 1.00 2.24 H new ATOM 0 HD1 TYR A 39 3.510 -3.631 3.822 1.00 34.10 H new ATOM 0 HD2 TYR A 39 6.514 -5.492 6.210 1.00 14.51 H new ATOM 0 HE1 TYR A 39 3.228 -5.718 2.557 1.00 54.30 H new ATOM 0 HE2 TYR A 39 6.232 -7.574 4.944 1.00 73.54 H new ATOM 0 HH TYR A 39 5.173 -8.617 3.316 1.00 10.33 H new ATOM 640 N SER A 40 3.349 -5.076 7.568 1.00 54.22 N ATOM 641 CA SER A 40 3.193 -6.235 8.432 1.00 35.14 C ATOM 642 C SER A 40 3.120 -7.500 7.569 1.00 71.35 C ATOM 643 O SER A 40 2.625 -7.454 6.440 1.00 20.52 O ATOM 644 CB SER A 40 1.926 -6.078 9.286 1.00 44.14 C ATOM 645 OG SER A 40 1.897 -7.011 10.351 1.00 73.01 O ATOM 0 H SER A 40 2.910 -5.180 6.653 1.00 54.22 H new ATOM 0 HA SER A 40 4.048 -6.318 9.103 1.00 35.14 H new ATOM 0 HB2 SER A 40 1.880 -5.066 9.687 1.00 44.14 H new ATOM 0 HB3 SER A 40 1.045 -6.213 8.659 1.00 44.14 H new ATOM 0 HG SER A 40 1.079 -6.883 10.876 1.00 73.01 H new ATOM 651 N ASP A 41 3.612 -8.616 8.101 1.00 33.24 N ATOM 652 CA ASP A 41 3.697 -9.881 7.356 1.00 64.50 C ATOM 653 C ASP A 41 2.326 -10.346 6.854 1.00 61.05 C ATOM 654 O ASP A 41 2.208 -10.875 5.747 1.00 14.52 O ATOM 655 CB ASP A 41 4.337 -10.965 8.239 1.00 12.45 C ATOM 656 CG ASP A 41 4.327 -12.345 7.591 1.00 23.05 C ATOM 657 OD1 ASP A 41 5.092 -12.566 6.630 1.00 23.43 O ATOM 658 OD2 ASP A 41 3.565 -13.221 8.057 1.00 41.12 O ATOM 0 H ASP A 41 3.963 -8.675 9.057 1.00 33.24 H new ATOM 0 HA ASP A 41 4.321 -9.708 6.479 1.00 64.50 H new ATOM 0 HB2 ASP A 41 5.366 -10.683 8.463 1.00 12.45 H new ATOM 0 HB3 ASP A 41 3.805 -11.012 9.189 1.00 12.45 H new ATOM 663 N ILE A 42 1.292 -10.135 7.663 1.00 14.21 N ATOM 664 CA ILE A 42 -0.071 -10.542 7.304 1.00 73.33 C ATOM 665 C ILE A 42 -0.537 -9.849 6.017 1.00 4.30 C ATOM 666 O ILE A 42 -1.390 -10.363 5.291 1.00 54.33 O ATOM 667 CB ILE A 42 -1.071 -10.234 8.453 1.00 63.13 C ATOM 668 CG1 ILE A 42 -2.480 -10.761 8.119 1.00 75.35 C ATOM 669 CG2 ILE A 42 -1.116 -8.732 8.747 1.00 32.24 C ATOM 670 CD1 ILE A 42 -2.537 -12.261 7.904 1.00 73.31 C ATOM 0 H ILE A 42 1.368 -9.684 8.575 1.00 14.21 H new ATOM 0 HA ILE A 42 -0.050 -11.619 7.135 1.00 73.33 H new ATOM 0 HB ILE A 42 -0.720 -10.750 9.347 1.00 63.13 H new ATOM 0 HG12 ILE A 42 -3.159 -10.493 8.928 1.00 75.35 H new ATOM 0 HG13 ILE A 42 -2.842 -10.261 7.221 1.00 75.35 H new ATOM 0 HG21 ILE A 42 -1.823 -8.540 9.555 1.00 32.24 H new ATOM 0 HG22 ILE A 42 -0.125 -8.389 9.043 1.00 32.24 H new ATOM 0 HG23 ILE A 42 -1.433 -8.196 7.853 1.00 32.24 H new ATOM 0 HD11 ILE A 42 -3.560 -12.557 7.673 1.00 73.31 H new ATOM 0 HD12 ILE A 42 -1.884 -12.535 7.075 1.00 73.31 H new ATOM 0 HD13 ILE A 42 -2.207 -12.771 8.809 1.00 73.31 H new ATOM 682 N LEU A 43 0.051 -8.694 5.725 1.00 34.43 N ATOM 683 CA LEU A 43 -0.354 -7.890 4.573 1.00 12.15 C ATOM 684 C LEU A 43 0.068 -8.548 3.257 1.00 14.43 C ATOM 685 O LEU A 43 -0.582 -8.360 2.225 1.00 35.50 O ATOM 686 CB LEU A 43 0.236 -6.477 4.683 1.00 63.11 C ATOM 687 CG LEU A 43 -0.251 -5.651 5.888 1.00 35.30 C ATOM 688 CD1 LEU A 43 0.400 -4.271 5.899 1.00 2.25 C ATOM 689 CD2 LEU A 43 -1.775 -5.530 5.880 1.00 73.52 C ATOM 0 H LEU A 43 0.812 -8.291 6.271 1.00 34.43 H new ATOM 0 HA LEU A 43 -1.442 -7.821 4.573 1.00 12.15 H new ATOM 0 HB2 LEU A 43 1.322 -6.558 4.734 1.00 63.11 H new ATOM 0 HB3 LEU A 43 -0.000 -5.931 3.770 1.00 63.11 H new ATOM 0 HG LEU A 43 0.045 -6.172 6.798 1.00 35.30 H new ATOM 0 HD11 LEU A 43 0.041 -3.706 6.759 1.00 2.25 H new ATOM 0 HD12 LEU A 43 1.483 -4.380 5.963 1.00 2.25 H new ATOM 0 HD13 LEU A 43 0.142 -3.740 4.983 1.00 2.25 H new ATOM 0 HD21 LEU A 43 -2.098 -4.943 6.740 1.00 73.52 H new ATOM 0 HD22 LEU A 43 -2.096 -5.037 4.962 1.00 73.52 H new ATOM 0 HD23 LEU A 43 -2.219 -6.524 5.932 1.00 73.52 H new ATOM 701 N ASN A 44 1.141 -9.339 3.307 1.00 11.12 N ATOM 702 CA ASN A 44 1.655 -10.038 2.118 1.00 51.24 C ATOM 703 C ASN A 44 0.573 -10.940 1.512 1.00 52.20 C ATOM 704 O ASN A 44 0.626 -11.296 0.335 1.00 32.13 O ATOM 705 CB ASN A 44 2.895 -10.874 2.489 1.00 54.34 C ATOM 706 CG ASN A 44 3.558 -11.540 1.285 1.00 54.42 C ATOM 707 OD1 ASN A 44 3.552 -11.005 0.173 1.00 14.34 O ATOM 708 ND2 ASN A 44 4.130 -12.719 1.499 1.00 70.03 N ATOM 0 H ASN A 44 1.675 -9.515 4.158 1.00 11.12 H new ATOM 0 HA ASN A 44 1.939 -9.293 1.375 1.00 51.24 H new ATOM 0 HB2 ASN A 44 3.622 -10.232 2.986 1.00 54.34 H new ATOM 0 HB3 ASN A 44 2.605 -11.642 3.206 1.00 54.34 H new ATOM 0 HD21 ASN A 44 4.584 -13.213 0.730 1.00 70.03 H new ATOM 0 HD22 ASN A 44 4.116 -13.131 2.432 1.00 70.03 H new ATOM 715 N LYS A 45 -0.408 -11.291 2.334 1.00 1.20 N ATOM 716 CA LYS A 45 -1.522 -12.149 1.932 1.00 71.21 C ATOM 717 C LYS A 45 -2.354 -11.524 0.805 1.00 74.02 C ATOM 718 O LYS A 45 -2.780 -12.214 -0.123 1.00 43.43 O ATOM 719 CB LYS A 45 -2.424 -12.400 3.150 1.00 64.33 C ATOM 720 CG LYS A 45 -3.697 -13.178 2.839 1.00 62.32 C ATOM 721 CD LYS A 45 -4.586 -13.321 4.068 1.00 63.50 C ATOM 722 CE LYS A 45 -5.771 -14.233 3.796 1.00 44.02 C ATOM 723 NZ LYS A 45 -5.334 -15.584 3.352 1.00 70.20 N ATOM 0 H LYS A 45 -0.456 -10.987 3.307 1.00 1.20 H new ATOM 0 HA LYS A 45 -1.108 -13.085 1.557 1.00 71.21 H new ATOM 0 HB2 LYS A 45 -1.854 -12.945 3.903 1.00 64.33 H new ATOM 0 HB3 LYS A 45 -2.697 -11.440 3.589 1.00 64.33 H new ATOM 0 HG2 LYS A 45 -4.249 -12.671 2.048 1.00 62.32 H new ATOM 0 HG3 LYS A 45 -3.436 -14.167 2.462 1.00 62.32 H new ATOM 0 HD2 LYS A 45 -4.001 -13.720 4.897 1.00 63.50 H new ATOM 0 HD3 LYS A 45 -4.945 -12.339 4.375 1.00 63.50 H new ATOM 0 HE2 LYS A 45 -6.375 -14.324 4.699 1.00 44.02 H new ATOM 0 HE3 LYS A 45 -6.406 -13.786 3.031 1.00 44.02 H new ATOM 0 HZ1 LYS A 45 -5.917 -16.308 3.819 1.00 70.20 H new ATOM 0 HZ2 LYS A 45 -5.444 -15.663 2.321 1.00 70.20 H new ATOM 0 HZ3 LYS A 45 -4.336 -15.727 3.606 1.00 70.20 H new ATOM 737 N TYR A 46 -2.567 -10.217 0.888 1.00 53.24 N ATOM 738 CA TYR A 46 -3.560 -9.537 0.051 1.00 74.12 C ATOM 739 C TYR A 46 -3.105 -9.353 -1.396 1.00 45.11 C ATOM 740 O TYR A 46 -3.940 -9.224 -2.291 1.00 1.04 O ATOM 741 CB TYR A 46 -3.914 -8.183 0.675 1.00 41.13 C ATOM 742 CG TYR A 46 -4.657 -8.312 1.991 1.00 15.44 C ATOM 743 CD1 TYR A 46 -6.041 -8.447 2.010 1.00 72.00 C ATOM 744 CD2 TYR A 46 -3.981 -8.300 3.207 1.00 61.14 C ATOM 745 CE1 TYR A 46 -6.729 -8.565 3.199 1.00 44.14 C ATOM 746 CE2 TYR A 46 -4.666 -8.419 4.402 1.00 10.22 C ATOM 747 CZ TYR A 46 -6.040 -8.551 4.391 1.00 3.12 C ATOM 748 OH TYR A 46 -6.727 -8.671 5.576 1.00 62.21 O ATOM 0 H TYR A 46 -2.066 -9.600 1.528 1.00 53.24 H new ATOM 0 HA TYR A 46 -4.442 -10.177 0.014 1.00 74.12 H new ATOM 0 HB2 TYR A 46 -2.999 -7.613 0.835 1.00 41.13 H new ATOM 0 HB3 TYR A 46 -4.525 -7.615 -0.026 1.00 41.13 H new ATOM 0 HD1 TYR A 46 -6.586 -8.460 1.078 1.00 72.00 H new ATOM 0 HD2 TYR A 46 -2.906 -8.196 3.218 1.00 61.14 H new ATOM 0 HE1 TYR A 46 -7.804 -8.668 3.195 1.00 44.14 H new ATOM 0 HE2 TYR A 46 -4.129 -8.409 5.339 1.00 10.22 H new ATOM 0 HH TYR A 46 -6.095 -8.644 6.325 1.00 62.21 H new ATOM 758 N ASP A 47 -1.790 -9.326 -1.617 1.00 62.31 N ATOM 759 CA ASP A 47 -1.215 -9.120 -2.962 1.00 12.25 C ATOM 760 C ASP A 47 -1.396 -7.658 -3.415 1.00 24.02 C ATOM 761 O ASP A 47 -0.934 -7.260 -4.484 1.00 22.24 O ATOM 762 CB ASP A 47 -1.853 -10.099 -3.975 1.00 54.43 C ATOM 763 CG ASP A 47 -1.176 -10.113 -5.344 1.00 44.13 C ATOM 764 OD1 ASP A 47 -0.112 -10.760 -5.480 1.00 75.42 O ATOM 765 OD2 ASP A 47 -1.728 -9.527 -6.298 1.00 74.41 O ATOM 0 H ASP A 47 -1.093 -9.444 -0.882 1.00 62.31 H new ATOM 0 HA ASP A 47 -0.145 -9.325 -2.917 1.00 12.25 H new ATOM 0 HB2 ASP A 47 -1.824 -11.106 -3.558 1.00 54.43 H new ATOM 0 HB3 ASP A 47 -2.903 -9.837 -4.104 1.00 54.43 H new ATOM 770 N TYR A 48 -2.019 -6.852 -2.554 1.00 42.15 N ATOM 771 CA TYR A 48 -2.240 -5.427 -2.810 1.00 55.54 C ATOM 772 C TYR A 48 -2.245 -4.655 -1.491 1.00 41.33 C ATOM 773 O TYR A 48 -3.081 -4.913 -0.622 1.00 12.25 O ATOM 774 CB TYR A 48 -3.572 -5.191 -3.548 1.00 54.02 C ATOM 775 CG TYR A 48 -3.488 -5.364 -5.056 1.00 71.24 C ATOM 776 CD1 TYR A 48 -3.049 -4.320 -5.864 1.00 42.23 C ATOM 777 CD2 TYR A 48 -3.851 -6.560 -5.673 1.00 64.53 C ATOM 778 CE1 TYR A 48 -2.971 -4.460 -7.236 1.00 53.40 C ATOM 779 CE2 TYR A 48 -3.775 -6.707 -7.046 1.00 44.20 C ATOM 780 CZ TYR A 48 -3.333 -5.654 -7.823 1.00 21.22 C ATOM 781 OH TYR A 48 -3.247 -5.792 -9.191 1.00 1.44 O ATOM 0 H TYR A 48 -2.386 -7.170 -1.657 1.00 42.15 H new ATOM 0 HA TYR A 48 -1.428 -5.070 -3.443 1.00 55.54 H new ATOM 0 HB2 TYR A 48 -4.319 -5.881 -3.155 1.00 54.02 H new ATOM 0 HB3 TYR A 48 -3.923 -4.183 -3.328 1.00 54.02 H new ATOM 0 HD1 TYR A 48 -2.764 -3.382 -5.410 1.00 42.23 H new ATOM 0 HD2 TYR A 48 -4.197 -7.386 -5.069 1.00 64.53 H new ATOM 0 HE1 TYR A 48 -2.628 -3.638 -7.846 1.00 53.40 H new ATOM 0 HE2 TYR A 48 -4.060 -7.641 -7.508 1.00 44.20 H new ATOM 0 HH TYR A 48 -3.933 -5.238 -9.619 1.00 1.44 H new ATOM 791 N ILE A 49 -1.313 -3.714 -1.343 1.00 41.13 N ATOM 792 CA ILE A 49 -1.223 -2.898 -0.132 1.00 13.45 C ATOM 793 C ILE A 49 -1.567 -1.449 -0.451 1.00 73.54 C ATOM 794 O ILE A 49 -0.852 -0.780 -1.201 1.00 74.31 O ATOM 795 CB ILE A 49 0.193 -2.948 0.507 1.00 30.52 C ATOM 796 CG1 ILE A 49 0.666 -4.405 0.657 1.00 41.22 C ATOM 797 CG2 ILE A 49 0.203 -2.228 1.864 1.00 52.41 C ATOM 798 CD1 ILE A 49 -0.296 -5.284 1.426 1.00 72.14 C ATOM 0 H ILE A 49 -0.608 -3.497 -2.048 1.00 41.13 H new ATOM 0 HA ILE A 49 -1.935 -3.311 0.583 1.00 13.45 H new ATOM 0 HB ILE A 49 0.887 -2.430 -0.155 1.00 30.52 H new ATOM 0 HG12 ILE A 49 0.819 -4.831 -0.334 1.00 41.22 H new ATOM 0 HG13 ILE A 49 1.633 -4.413 1.161 1.00 41.22 H new ATOM 0 HG21 ILE A 49 1.204 -2.275 2.294 1.00 52.41 H new ATOM 0 HG22 ILE A 49 -0.083 -1.186 1.725 1.00 52.41 H new ATOM 0 HG23 ILE A 49 -0.504 -2.712 2.538 1.00 52.41 H new ATOM 0 HD11 ILE A 49 0.106 -6.295 1.490 1.00 72.14 H new ATOM 0 HD12 ILE A 49 -0.431 -4.883 2.431 1.00 72.14 H new ATOM 0 HD13 ILE A 49 -1.257 -5.308 0.912 1.00 72.14 H new ATOM 810 N VAL A 50 -2.664 -0.973 0.110 1.00 21.32 N ATOM 811 CA VAL A 50 -3.071 0.412 -0.053 1.00 13.14 C ATOM 812 C VAL A 50 -2.717 1.200 1.201 1.00 64.11 C ATOM 813 O VAL A 50 -3.059 0.793 2.311 1.00 11.30 O ATOM 814 CB VAL A 50 -4.591 0.523 -0.321 1.00 25.51 C ATOM 815 CG1 VAL A 50 -5.020 1.987 -0.427 1.00 10.53 C ATOM 816 CG2 VAL A 50 -4.971 -0.252 -1.584 1.00 51.41 C ATOM 0 H VAL A 50 -3.294 -1.530 0.687 1.00 21.32 H new ATOM 0 HA VAL A 50 -2.541 0.823 -0.913 1.00 13.14 H new ATOM 0 HB VAL A 50 -5.121 0.080 0.522 1.00 25.51 H new ATOM 0 HG11 VAL A 50 -6.092 2.039 -0.616 1.00 10.53 H new ATOM 0 HG12 VAL A 50 -4.790 2.502 0.506 1.00 10.53 H new ATOM 0 HG13 VAL A 50 -4.484 2.465 -1.247 1.00 10.53 H new ATOM 0 HG21 VAL A 50 -6.044 -0.163 -1.757 1.00 51.41 H new ATOM 0 HG22 VAL A 50 -4.431 0.157 -2.438 1.00 51.41 H new ATOM 0 HG23 VAL A 50 -4.710 -1.303 -1.458 1.00 51.41 H new ATOM 826 N GLY A 51 -2.012 2.305 1.024 1.00 11.11 N ATOM 827 CA GLY A 51 -1.657 3.146 2.145 1.00 53.30 C ATOM 828 C GLY A 51 -2.249 4.526 2.009 1.00 25.44 C ATOM 829 O GLY A 51 -1.960 5.236 1.044 1.00 63.01 O ATOM 0 H GLY A 51 -1.678 2.636 0.119 1.00 11.11 H new ATOM 0 HA2 GLY A 51 -2.007 2.688 3.070 1.00 53.30 H new ATOM 0 HA3 GLY A 51 -0.572 3.220 2.217 1.00 53.30 H new ATOM 833 N ASP A 52 -3.073 4.914 2.970 1.00 55.12 N ATOM 834 CA ASP A 52 -3.707 6.227 2.956 1.00 71.11 C ATOM 835 C ASP A 52 -3.390 6.974 4.245 1.00 74.10 C ATOM 836 O ASP A 52 -3.157 6.362 5.289 1.00 63.03 O ATOM 837 CB ASP A 52 -5.233 6.107 2.762 1.00 34.11 C ATOM 838 CG ASP A 52 -5.954 5.477 3.951 1.00 53.11 C ATOM 839 OD1 ASP A 52 -6.086 4.232 3.987 1.00 50.23 O ATOM 840 OD2 ASP A 52 -6.407 6.229 4.841 1.00 20.11 O ATOM 0 H ASP A 52 -3.320 4.337 3.774 1.00 55.12 H new ATOM 0 HA ASP A 52 -3.307 6.790 2.113 1.00 71.11 H new ATOM 0 HB2 ASP A 52 -5.647 7.099 2.581 1.00 34.11 H new ATOM 0 HB3 ASP A 52 -5.432 5.512 1.871 1.00 34.11 H new ATOM 845 N TRP A 53 -3.355 8.300 4.157 1.00 12.44 N ATOM 846 CA TRP A 53 -3.094 9.153 5.314 1.00 41.23 C ATOM 847 C TRP A 53 -4.406 9.667 5.902 1.00 62.13 C ATOM 848 O TRP A 53 -4.450 10.734 6.527 1.00 61.33 O ATOM 849 CB TRP A 53 -2.186 10.327 4.915 1.00 21.11 C ATOM 850 CG TRP A 53 -0.795 9.905 4.523 1.00 54.25 C ATOM 851 CD1 TRP A 53 -0.389 9.426 3.309 1.00 10.53 C ATOM 852 CD2 TRP A 53 0.374 9.930 5.353 1.00 31.03 C ATOM 853 NE1 TRP A 53 0.957 9.153 3.337 1.00 70.45 N ATOM 854 CE2 TRP A 53 1.448 9.455 4.579 1.00 50.51 C ATOM 855 CE3 TRP A 53 0.617 10.307 6.680 1.00 64.01 C ATOM 856 CZ2 TRP A 53 2.742 9.346 5.085 1.00 32.21 C ATOM 857 CZ3 TRP A 53 1.900 10.201 7.180 1.00 21.33 C ATOM 858 CH2 TRP A 53 2.950 9.726 6.385 1.00 62.34 C ATOM 0 H TRP A 53 -3.506 8.812 3.288 1.00 12.44 H new ATOM 0 HA TRP A 53 -2.583 8.563 6.075 1.00 41.23 H new ATOM 0 HB2 TRP A 53 -2.643 10.862 4.083 1.00 21.11 H new ATOM 0 HB3 TRP A 53 -2.123 11.027 5.748 1.00 21.11 H new ATOM 0 HD1 TRP A 53 -1.032 9.283 2.453 1.00 10.53 H new ATOM 0 HE1 TRP A 53 1.503 8.785 2.558 1.00 70.45 H new ATOM 0 HE3 TRP A 53 -0.186 10.675 7.302 1.00 64.01 H new ATOM 0 HZ2 TRP A 53 3.552 8.975 4.474 1.00 32.21 H new ATOM 0 HZ3 TRP A 53 2.097 10.490 8.202 1.00 21.33 H new ATOM 0 HH2 TRP A 53 3.943 9.658 6.804 1.00 62.34 H new ATOM 869 N GLY A 54 -5.473 8.895 5.703 1.00 30.51 N ATOM 870 CA GLY A 54 -6.766 9.253 6.244 1.00 22.42 C ATOM 871 C GLY A 54 -6.763 9.193 7.757 1.00 22.02 C ATOM 872 O GLY A 54 -6.213 8.255 8.338 1.00 20.34 O ATOM 0 H GLY A 54 -5.460 8.024 5.173 1.00 30.51 H new ATOM 0 HA2 GLY A 54 -7.034 10.258 5.918 1.00 22.42 H new ATOM 0 HA3 GLY A 54 -7.527 8.578 5.852 1.00 22.42 H new ATOM 876 N TYR A 55 -7.348 10.209 8.397 1.00 5.23 N ATOM 877 CA TYR A 55 -7.382 10.298 9.859 1.00 54.42 C ATOM 878 C TYR A 55 -5.975 10.605 10.402 1.00 14.33 C ATOM 879 O TYR A 55 -5.723 10.535 11.609 1.00 1.11 O ATOM 880 CB TYR A 55 -7.962 9.001 10.466 1.00 60.10 C ATOM 881 CG TYR A 55 -8.117 9.014 11.975 1.00 61.33 C ATOM 882 CD1 TYR A 55 -9.005 9.884 12.601 1.00 51.40 C ATOM 883 CD2 TYR A 55 -7.369 8.154 12.776 1.00 32.43 C ATOM 884 CE1 TYR A 55 -9.144 9.894 13.976 1.00 15.14 C ATOM 885 CE2 TYR A 55 -7.504 8.160 14.150 1.00 34.10 C ATOM 886 CZ TYR A 55 -8.391 9.030 14.744 1.00 41.41 C ATOM 887 OH TYR A 55 -8.523 9.038 16.115 1.00 22.54 O ATOM 0 H TYR A 55 -7.807 10.986 7.922 1.00 5.23 H new ATOM 0 HA TYR A 55 -8.039 11.117 10.154 1.00 54.42 H new ATOM 0 HB2 TYR A 55 -8.937 8.812 10.017 1.00 60.10 H new ATOM 0 HB3 TYR A 55 -7.316 8.168 10.189 1.00 60.10 H new ATOM 0 HD1 TYR A 55 -9.595 10.562 12.002 1.00 51.40 H new ATOM 0 HD2 TYR A 55 -6.672 7.471 12.314 1.00 32.43 H new ATOM 0 HE1 TYR A 55 -9.838 10.574 14.447 1.00 15.14 H new ATOM 0 HE2 TYR A 55 -6.917 7.486 14.756 1.00 34.10 H new ATOM 0 HH TYR A 55 -7.923 8.369 16.505 1.00 22.54 H new ATOM 897 N GLY A 56 -5.065 10.965 9.498 1.00 35.42 N ATOM 898 CA GLY A 56 -3.718 11.359 9.886 1.00 23.05 C ATOM 899 C GLY A 56 -2.782 10.175 10.027 1.00 41.31 C ATOM 900 O GLY A 56 -1.671 10.179 9.489 1.00 61.30 O ATOM 0 H GLY A 56 -5.239 10.991 8.493 1.00 35.42 H new ATOM 0 HA2 GLY A 56 -3.317 12.048 9.143 1.00 23.05 H new ATOM 0 HA3 GLY A 56 -3.760 11.899 10.832 1.00 23.05 H new ATOM 904 N GLN A 57 -3.229 9.166 10.763 1.00 70.15 N ATOM 905 CA GLN A 57 -2.434 7.968 10.998 1.00 34.21 C ATOM 906 C GLN A 57 -2.416 7.099 9.741 1.00 0.24 C ATOM 907 O GLN A 57 -3.456 6.602 9.317 1.00 20.34 O ATOM 908 CB GLN A 57 -3.005 7.180 12.187 1.00 71.54 C ATOM 909 CG GLN A 57 -3.112 8.000 13.469 1.00 54.13 C ATOM 910 CD GLN A 57 -3.708 7.218 14.628 1.00 10.32 C ATOM 911 OE1 GLN A 57 -3.551 6.001 14.723 1.00 60.22 O ATOM 912 NE2 GLN A 57 -4.397 7.915 15.519 1.00 2.10 N ATOM 0 H GLN A 57 -4.145 9.154 11.211 1.00 70.15 H new ATOM 0 HA GLN A 57 -1.411 8.261 11.235 1.00 34.21 H new ATOM 0 HB2 GLN A 57 -3.994 6.805 11.922 1.00 71.54 H new ATOM 0 HB3 GLN A 57 -2.374 6.311 12.373 1.00 71.54 H new ATOM 0 HG2 GLN A 57 -2.121 8.355 13.750 1.00 54.13 H new ATOM 0 HG3 GLN A 57 -3.725 8.881 13.280 1.00 54.13 H new ATOM 0 HE21 GLN A 57 -4.505 8.923 15.405 1.00 2.10 H new ATOM 0 HE22 GLN A 57 -4.820 7.444 16.319 1.00 2.10 H new ATOM 921 N LEU A 58 -1.229 6.925 9.162 1.00 33.12 N ATOM 922 CA LEU A 58 -1.066 6.156 7.926 1.00 30.03 C ATOM 923 C LEU A 58 -1.644 4.746 8.100 1.00 31.21 C ATOM 924 O LEU A 58 -1.249 4.010 9.011 1.00 11.54 O ATOM 925 CB LEU A 58 0.429 6.092 7.543 1.00 32.31 C ATOM 926 CG LEU A 58 0.758 5.732 6.070 1.00 63.01 C ATOM 927 CD1 LEU A 58 2.248 5.915 5.798 1.00 70.01 C ATOM 928 CD2 LEU A 58 0.342 4.301 5.721 1.00 23.25 C ATOM 0 H LEU A 58 -0.359 7.309 9.531 1.00 33.12 H new ATOM 0 HA LEU A 58 -1.610 6.650 7.121 1.00 30.03 H new ATOM 0 HB2 LEU A 58 0.878 7.060 7.765 1.00 32.31 H new ATOM 0 HB3 LEU A 58 0.914 5.360 8.188 1.00 32.31 H new ATOM 0 HG LEU A 58 0.185 6.410 5.438 1.00 63.01 H new ATOM 0 HD11 LEU A 58 2.463 5.658 4.761 1.00 70.01 H new ATOM 0 HD12 LEU A 58 2.526 6.953 5.980 1.00 70.01 H new ATOM 0 HD13 LEU A 58 2.821 5.264 6.459 1.00 70.01 H new ATOM 0 HD21 LEU A 58 0.591 4.093 4.680 1.00 23.25 H new ATOM 0 HD22 LEU A 58 0.870 3.601 6.368 1.00 23.25 H new ATOM 0 HD23 LEU A 58 -0.732 4.189 5.866 1.00 23.25 H new ATOM 940 N ARG A 59 -2.582 4.384 7.231 1.00 3.24 N ATOM 941 CA ARG A 59 -3.210 3.067 7.258 1.00 71.11 C ATOM 942 C ARG A 59 -2.706 2.227 6.082 1.00 42.31 C ATOM 943 O ARG A 59 -2.707 2.696 4.946 1.00 54.15 O ATOM 944 CB ARG A 59 -4.746 3.203 7.164 1.00 21.43 C ATOM 945 CG ARG A 59 -5.354 4.278 8.070 1.00 73.51 C ATOM 946 CD ARG A 59 -5.088 4.015 9.551 1.00 2.15 C ATOM 947 NE ARG A 59 -5.693 2.761 10.016 1.00 44.14 N ATOM 948 CZ ARG A 59 -5.795 2.411 11.304 1.00 2.42 C ATOM 949 NH1 ARG A 59 -5.355 3.227 12.256 1.00 64.32 N ATOM 950 NH2 ARG A 59 -6.342 1.249 11.636 1.00 31.02 N ATOM 0 H ARG A 59 -2.928 4.993 6.490 1.00 3.24 H new ATOM 0 HA ARG A 59 -2.950 2.578 8.197 1.00 71.11 H new ATOM 0 HB2 ARG A 59 -5.014 3.425 6.131 1.00 21.43 H new ATOM 0 HB3 ARG A 59 -5.197 2.242 7.411 1.00 21.43 H new ATOM 0 HG2 ARG A 59 -4.945 5.251 7.798 1.00 73.51 H new ATOM 0 HG3 ARG A 59 -6.430 4.325 7.900 1.00 73.51 H new ATOM 0 HD2 ARG A 59 -4.012 3.982 9.723 1.00 2.15 H new ATOM 0 HD3 ARG A 59 -5.480 4.844 10.140 1.00 2.15 H new ATOM 0 HE ARG A 59 -6.058 2.117 9.315 1.00 44.14 H new ATOM 0 HH11 ARG A 59 -4.938 4.124 12.006 1.00 64.32 H new ATOM 0 HH12 ARG A 59 -5.435 2.957 13.236 1.00 64.32 H new ATOM 0 HH21 ARG A 59 -6.686 0.621 10.909 1.00 31.02 H new ATOM 0 HH22 ARG A 59 -6.419 0.984 12.618 1.00 31.02 H new ATOM 964 N LEU A 60 -2.248 1.005 6.356 1.00 22.03 N ATOM 965 CA LEU A 60 -1.971 0.037 5.292 1.00 15.43 C ATOM 966 C LEU A 60 -3.078 -1.003 5.285 1.00 1.24 C ATOM 967 O LEU A 60 -3.114 -1.887 6.143 1.00 5.42 O ATOM 968 CB LEU A 60 -0.610 -0.659 5.463 1.00 32.52 C ATOM 969 CG LEU A 60 0.636 0.220 5.272 1.00 50.14 C ATOM 970 CD1 LEU A 60 1.897 -0.635 5.282 1.00 44.14 C ATOM 971 CD2 LEU A 60 0.562 1.032 3.986 1.00 44.31 C ATOM 0 H LEU A 60 -2.062 0.663 7.299 1.00 22.03 H new ATOM 0 HA LEU A 60 -1.933 0.578 4.346 1.00 15.43 H new ATOM 0 HB2 LEU A 60 -0.572 -1.093 6.462 1.00 32.52 H new ATOM 0 HB3 LEU A 60 -0.557 -1.485 4.754 1.00 32.52 H new ATOM 0 HG LEU A 60 0.673 0.921 6.106 1.00 50.14 H new ATOM 0 HD11 LEU A 60 2.770 0.003 5.146 1.00 44.14 H new ATOM 0 HD12 LEU A 60 1.975 -1.158 6.235 1.00 44.14 H new ATOM 0 HD13 LEU A 60 1.849 -1.363 4.472 1.00 44.14 H new ATOM 0 HD21 LEU A 60 1.461 1.640 3.887 1.00 44.31 H new ATOM 0 HD22 LEU A 60 0.485 0.357 3.133 1.00 44.31 H new ATOM 0 HD23 LEU A 60 -0.313 1.681 4.015 1.00 44.31 H new ATOM 983 N LYS A 61 -3.992 -0.876 4.341 1.00 45.43 N ATOM 984 CA LYS A 61 -5.135 -1.766 4.255 1.00 0.55 C ATOM 985 C LYS A 61 -5.041 -2.578 2.969 1.00 11.12 C ATOM 986 O LYS A 61 -4.879 -2.022 1.880 1.00 75.15 O ATOM 987 CB LYS A 61 -6.435 -0.947 4.313 1.00 51.00 C ATOM 988 CG LYS A 61 -7.667 -1.739 4.750 1.00 11.02 C ATOM 989 CD LYS A 61 -8.267 -2.575 3.622 1.00 34.01 C ATOM 990 CE LYS A 61 -9.437 -3.415 4.116 1.00 42.30 C ATOM 991 NZ LYS A 61 -10.435 -2.602 4.864 1.00 4.20 N ATOM 0 H LYS A 61 -3.964 -0.158 3.617 1.00 45.43 H new ATOM 0 HA LYS A 61 -5.139 -2.458 5.098 1.00 0.55 H new ATOM 0 HB2 LYS A 61 -6.293 -0.113 5.000 1.00 51.00 H new ATOM 0 HB3 LYS A 61 -6.624 -0.520 3.328 1.00 51.00 H new ATOM 0 HG2 LYS A 61 -7.396 -2.395 5.577 1.00 11.02 H new ATOM 0 HG3 LYS A 61 -8.422 -1.048 5.125 1.00 11.02 H new ATOM 0 HD2 LYS A 61 -8.602 -1.919 2.819 1.00 34.01 H new ATOM 0 HD3 LYS A 61 -7.501 -3.227 3.203 1.00 34.01 H new ATOM 0 HE2 LYS A 61 -9.924 -3.893 3.266 1.00 42.30 H new ATOM 0 HE3 LYS A 61 -9.064 -4.212 4.759 1.00 42.30 H new ATOM 0 HZ1 LYS A 61 -11.314 -3.147 4.975 1.00 4.20 H new ATOM 0 HZ2 LYS A 61 -10.055 -2.363 5.802 1.00 4.20 H new ATOM 0 HZ3 LYS A 61 -10.634 -1.727 4.338 1.00 4.20 H new ATOM 1005 N GLY A 62 -5.124 -3.893 3.104 1.00 54.41 N ATOM 1006 CA GLY A 62 -4.971 -4.769 1.966 1.00 60.10 C ATOM 1007 C GLY A 62 -6.297 -5.138 1.331 1.00 32.32 C ATOM 1008 O GLY A 62 -7.311 -5.271 2.022 1.00 44.24 O ATOM 0 H GLY A 62 -5.296 -4.370 3.989 1.00 54.41 H new ATOM 0 HA2 GLY A 62 -4.339 -4.285 1.222 1.00 60.10 H new ATOM 0 HA3 GLY A 62 -4.457 -5.678 2.278 1.00 60.10 H new ATOM 1012 N PHE A 63 -6.284 -5.303 0.016 1.00 44.32 N ATOM 1013 CA PHE A 63 -7.456 -5.745 -0.732 1.00 2.10 C ATOM 1014 C PHE A 63 -7.098 -6.985 -1.537 1.00 55.11 C ATOM 1015 O PHE A 63 -5.923 -7.338 -1.646 1.00 24.15 O ATOM 1016 CB PHE A 63 -7.964 -4.637 -1.670 1.00 74.30 C ATOM 1017 CG PHE A 63 -8.518 -3.437 -0.944 1.00 44.42 C ATOM 1018 CD1 PHE A 63 -9.858 -3.388 -0.581 1.00 61.44 C ATOM 1019 CD2 PHE A 63 -7.703 -2.362 -0.625 1.00 63.52 C ATOM 1020 CE1 PHE A 63 -10.370 -2.290 0.084 1.00 43.12 C ATOM 1021 CE2 PHE A 63 -8.210 -1.264 0.040 1.00 12.01 C ATOM 1022 CZ PHE A 63 -9.546 -1.227 0.394 1.00 5.44 C ATOM 0 H PHE A 63 -5.462 -5.135 -0.564 1.00 44.32 H new ATOM 0 HA PHE A 63 -8.253 -5.979 -0.027 1.00 2.10 H new ATOM 0 HB2 PHE A 63 -7.146 -4.315 -2.315 1.00 74.30 H new ATOM 0 HB3 PHE A 63 -8.738 -5.048 -2.318 1.00 74.30 H new ATOM 0 HD1 PHE A 63 -10.507 -4.217 -0.821 1.00 61.44 H new ATOM 0 HD2 PHE A 63 -6.659 -2.384 -0.900 1.00 63.52 H new ATOM 0 HE1 PHE A 63 -11.414 -2.264 0.361 1.00 43.12 H new ATOM 0 HE2 PHE A 63 -7.563 -0.434 0.284 1.00 12.01 H new ATOM 0 HZ PHE A 63 -9.944 -0.367 0.912 1.00 5.44 H new ATOM 1032 N PHE A 64 -8.104 -7.634 -2.100 1.00 32.24 N ATOM 1033 CA PHE A 64 -7.891 -8.821 -2.918 1.00 51.01 C ATOM 1034 C PHE A 64 -8.027 -8.459 -4.394 1.00 14.43 C ATOM 1035 O PHE A 64 -8.568 -7.400 -4.730 1.00 44.12 O ATOM 1036 CB PHE A 64 -8.890 -9.921 -2.534 1.00 13.30 C ATOM 1037 CG PHE A 64 -8.774 -10.368 -1.097 1.00 64.25 C ATOM 1038 CD1 PHE A 64 -7.796 -11.277 -0.713 1.00 64.54 C ATOM 1039 CD2 PHE A 64 -9.642 -9.879 -0.127 1.00 53.11 C ATOM 1040 CE1 PHE A 64 -7.685 -11.687 0.603 1.00 54.52 C ATOM 1041 CE2 PHE A 64 -9.535 -10.287 1.189 1.00 31.22 C ATOM 1042 CZ PHE A 64 -8.556 -11.191 1.554 1.00 21.24 C ATOM 0 H PHE A 64 -9.082 -7.359 -2.006 1.00 32.24 H new ATOM 0 HA PHE A 64 -6.885 -9.201 -2.741 1.00 51.01 H new ATOM 0 HB2 PHE A 64 -9.903 -9.559 -2.713 1.00 13.30 H new ATOM 0 HB3 PHE A 64 -8.739 -10.781 -3.187 1.00 13.30 H new ATOM 0 HD1 PHE A 64 -7.113 -11.669 -1.452 1.00 64.54 H new ATOM 0 HD2 PHE A 64 -10.409 -9.172 -0.405 1.00 53.11 H new ATOM 0 HE1 PHE A 64 -6.919 -12.393 0.887 1.00 54.52 H new ATOM 0 HE2 PHE A 64 -10.216 -9.899 1.932 1.00 31.22 H new ATOM 0 HZ PHE A 64 -8.472 -11.510 2.582 1.00 21.24 H new ATOM 1052 N ASP A 65 -7.527 -9.334 -5.266 1.00 65.23 N ATOM 1053 CA ASP A 65 -7.510 -9.080 -6.708 1.00 12.14 C ATOM 1054 C ASP A 65 -8.898 -8.693 -7.222 1.00 63.44 C ATOM 1055 O ASP A 65 -9.825 -9.506 -7.259 1.00 71.41 O ATOM 1056 CB ASP A 65 -6.954 -10.297 -7.471 1.00 40.54 C ATOM 1057 CG ASP A 65 -7.765 -11.571 -7.263 1.00 54.11 C ATOM 1058 OD1 ASP A 65 -7.660 -12.182 -6.173 1.00 43.00 O ATOM 1059 OD2 ASP A 65 -8.498 -11.981 -8.194 1.00 2.13 O ATOM 0 H ASP A 65 -7.125 -10.232 -4.997 1.00 65.23 H new ATOM 0 HA ASP A 65 -6.846 -8.235 -6.890 1.00 12.14 H new ATOM 0 HB2 ASP A 65 -6.924 -10.065 -8.536 1.00 40.54 H new ATOM 0 HB3 ASP A 65 -5.926 -10.475 -7.155 1.00 40.54 H new ATOM 1064 N ASP A 66 -9.027 -7.422 -7.585 1.00 62.43 N ATOM 1065 CA ASP A 66 -10.291 -6.857 -8.050 1.00 3.03 C ATOM 1066 C ASP A 66 -10.466 -7.075 -9.551 1.00 74.43 C ATOM 1067 O ASP A 66 -11.527 -7.515 -10.007 1.00 54.12 O ATOM 1068 CB ASP A 66 -10.333 -5.358 -7.722 1.00 72.31 C ATOM 1069 CG ASP A 66 -11.636 -4.681 -8.129 1.00 34.24 C ATOM 1070 OD1 ASP A 66 -11.763 -4.279 -9.304 1.00 24.34 O ATOM 1071 OD2 ASP A 66 -12.523 -4.512 -7.264 1.00 34.25 O ATOM 0 H ASP A 66 -8.258 -6.752 -7.566 1.00 62.43 H new ATOM 0 HA ASP A 66 -11.110 -7.363 -7.539 1.00 3.03 H new ATOM 0 HB2 ASP A 66 -10.183 -5.225 -6.651 1.00 72.31 H new ATOM 0 HB3 ASP A 66 -9.503 -4.861 -8.224 1.00 72.31 H new ATOM 1076 N GLN A 67 -9.419 -6.773 -10.312 1.00 73.20 N ATOM 1077 CA GLN A 67 -9.460 -6.896 -11.767 1.00 11.44 C ATOM 1078 C GLN A 67 -9.493 -8.349 -12.206 1.00 63.51 C ATOM 1079 O GLN A 67 -9.018 -9.238 -11.496 1.00 61.14 O ATOM 1080 CB GLN A 67 -8.249 -6.209 -12.406 1.00 14.11 C ATOM 1081 CG GLN A 67 -8.277 -4.691 -12.318 1.00 34.45 C ATOM 1082 CD GLN A 67 -9.391 -4.052 -13.136 1.00 41.23 C ATOM 1083 OE1 GLN A 67 -10.467 -4.626 -13.320 1.00 51.33 O ATOM 1084 NE2 GLN A 67 -9.131 -2.867 -13.660 1.00 13.33 N ATOM 0 H GLN A 67 -8.528 -6.440 -9.944 1.00 73.20 H new ATOM 0 HA GLN A 67 -10.376 -6.408 -12.100 1.00 11.44 H new ATOM 0 HB2 GLN A 67 -7.342 -6.573 -11.924 1.00 14.11 H new ATOM 0 HB3 GLN A 67 -8.191 -6.500 -13.455 1.00 14.11 H new ATOM 0 HG2 GLN A 67 -8.391 -4.398 -11.274 1.00 34.45 H new ATOM 0 HG3 GLN A 67 -7.318 -4.298 -12.657 1.00 34.45 H new ATOM 0 HE21 GLN A 67 -8.231 -2.420 -13.488 1.00 13.33 H new ATOM 0 HE22 GLN A 67 -9.831 -2.400 -14.236 1.00 13.33 H new ATOM 1093 N ASN A 68 -10.057 -8.575 -13.384 1.00 51.13 N ATOM 1094 CA ASN A 68 -10.043 -9.886 -14.013 1.00 32.22 C ATOM 1095 C ASN A 68 -8.800 -9.995 -14.894 1.00 62.44 C ATOM 1096 O ASN A 68 -8.235 -8.976 -15.295 1.00 44.54 O ATOM 1097 CB ASN A 68 -11.317 -10.086 -14.851 1.00 62.53 C ATOM 1098 CG ASN A 68 -11.431 -11.486 -15.424 1.00 73.44 C ATOM 1099 OD1 ASN A 68 -10.935 -11.766 -16.518 1.00 14.11 O ATOM 1100 ND2 ASN A 68 -12.087 -12.374 -14.697 1.00 21.05 N ATOM 0 H ASN A 68 -10.535 -7.857 -13.928 1.00 51.13 H new ATOM 0 HA ASN A 68 -10.016 -10.663 -13.249 1.00 32.22 H new ATOM 0 HB2 ASN A 68 -12.190 -9.880 -14.231 1.00 62.53 H new ATOM 0 HB3 ASN A 68 -11.327 -9.363 -15.666 1.00 62.53 H new ATOM 0 HD21 ASN A 68 -12.197 -13.330 -15.036 1.00 21.05 H new ATOM 0 HD22 ASN A 68 -12.483 -12.104 -13.797 1.00 21.05 H new ATOM 1107 N GLN A 69 -8.380 -11.220 -15.196 1.00 43.31 N ATOM 1108 CA GLN A 69 -7.159 -11.461 -15.978 1.00 72.34 C ATOM 1109 C GLN A 69 -7.183 -10.744 -17.336 1.00 14.11 C ATOM 1110 O GLN A 69 -6.136 -10.516 -17.942 1.00 61.42 O ATOM 1111 CB GLN A 69 -6.960 -12.967 -16.199 1.00 5.24 C ATOM 1112 CG GLN A 69 -8.080 -13.619 -16.999 1.00 51.40 C ATOM 1113 CD GLN A 69 -7.851 -15.101 -17.245 1.00 41.40 C ATOM 1114 OE1 GLN A 69 -7.221 -15.791 -16.442 1.00 11.52 O ATOM 1115 NE2 GLN A 69 -8.369 -15.602 -18.354 1.00 44.25 N ATOM 0 H GLN A 69 -8.867 -12.070 -14.912 1.00 43.31 H new ATOM 0 HA GLN A 69 -6.327 -11.055 -15.402 1.00 72.34 H new ATOM 0 HB2 GLN A 69 -6.014 -13.128 -16.716 1.00 5.24 H new ATOM 0 HB3 GLN A 69 -6.882 -13.461 -15.230 1.00 5.24 H new ATOM 0 HG2 GLN A 69 -9.023 -13.486 -16.468 1.00 51.40 H new ATOM 0 HG3 GLN A 69 -8.179 -13.109 -17.957 1.00 51.40 H new ATOM 0 HE21 GLN A 69 -8.884 -14.998 -18.994 1.00 44.25 H new ATOM 0 HE22 GLN A 69 -8.253 -16.592 -18.569 1.00 44.25 H new ATOM 1124 N LYS A 70 -8.377 -10.395 -17.814 1.00 11.31 N ATOM 1125 CA LYS A 70 -8.524 -9.779 -19.134 1.00 43.13 C ATOM 1126 C LYS A 70 -8.480 -8.246 -19.046 1.00 72.15 C ATOM 1127 O LYS A 70 -8.570 -7.551 -20.063 1.00 42.45 O ATOM 1128 CB LYS A 70 -9.837 -10.249 -19.783 1.00 72.21 C ATOM 1129 CG LYS A 70 -9.953 -9.915 -21.269 1.00 13.32 C ATOM 1130 CD LYS A 70 -8.837 -10.569 -22.084 1.00 40.23 C ATOM 1131 CE LYS A 70 -8.941 -10.238 -23.568 1.00 14.21 C ATOM 1132 NZ LYS A 70 -8.772 -8.784 -23.831 1.00 4.21 N ATOM 0 H LYS A 70 -9.254 -10.527 -17.310 1.00 11.31 H new ATOM 0 HA LYS A 70 -7.685 -10.093 -19.755 1.00 43.13 H new ATOM 0 HB2 LYS A 70 -9.927 -11.328 -19.656 1.00 72.21 H new ATOM 0 HB3 LYS A 70 -10.674 -9.795 -19.253 1.00 72.21 H new ATOM 0 HG2 LYS A 70 -10.921 -10.250 -21.643 1.00 13.32 H new ATOM 0 HG3 LYS A 70 -9.916 -8.834 -21.403 1.00 13.32 H new ATOM 0 HD2 LYS A 70 -7.870 -10.237 -21.706 1.00 40.23 H new ATOM 0 HD3 LYS A 70 -8.877 -11.650 -21.951 1.00 40.23 H new ATOM 0 HE2 LYS A 70 -8.182 -10.796 -24.117 1.00 14.21 H new ATOM 0 HE3 LYS A 70 -9.911 -10.564 -23.944 1.00 14.21 H new ATOM 0 HZ1 LYS A 70 -8.663 -8.626 -24.853 1.00 4.21 H new ATOM 0 HZ2 LYS A 70 -9.608 -8.270 -23.488 1.00 4.21 H new ATOM 0 HZ3 LYS A 70 -7.926 -8.438 -23.336 1.00 4.21 H new ATOM 1146 N ALA A 71 -8.333 -7.719 -17.835 1.00 60.22 N ATOM 1147 CA ALA A 71 -8.277 -6.272 -17.627 1.00 32.24 C ATOM 1148 C ALA A 71 -6.851 -5.760 -17.819 1.00 34.22 C ATOM 1149 O ALA A 71 -5.913 -6.296 -17.228 1.00 61.20 O ATOM 1150 CB ALA A 71 -8.785 -5.912 -16.237 1.00 52.25 C ATOM 0 H ALA A 71 -8.250 -8.270 -16.981 1.00 60.22 H new ATOM 0 HA ALA A 71 -8.921 -5.794 -18.365 1.00 32.24 H new ATOM 0 HB1 ALA A 71 -8.736 -4.832 -16.100 1.00 52.25 H new ATOM 0 HB2 ALA A 71 -9.817 -6.245 -16.129 1.00 52.25 H new ATOM 0 HB3 ALA A 71 -8.166 -6.401 -15.485 1.00 52.25 H new ATOM 1156 N THR A 72 -6.686 -4.729 -18.643 1.00 45.11 N ATOM 1157 CA THR A 72 -5.362 -4.174 -18.904 1.00 40.43 C ATOM 1158 C THR A 72 -4.912 -3.306 -17.727 1.00 22.41 C ATOM 1159 O THR A 72 -3.716 -3.172 -17.456 1.00 5.04 O ATOM 1160 CB THR A 72 -5.325 -3.360 -20.225 1.00 70.20 C ATOM 1161 OG1 THR A 72 -3.968 -3.060 -20.583 1.00 74.24 O ATOM 1162 CG2 THR A 72 -6.117 -2.059 -20.112 1.00 42.55 C ATOM 0 H THR A 72 -7.447 -4.264 -19.138 1.00 45.11 H new ATOM 0 HA THR A 72 -4.670 -5.009 -19.018 1.00 40.43 H new ATOM 0 HB THR A 72 -5.786 -3.974 -20.998 1.00 70.20 H new ATOM 0 HG1 THR A 72 -3.956 -2.548 -21.418 1.00 74.24 H new ATOM 0 HG21 THR A 72 -6.066 -1.519 -21.057 1.00 42.55 H new ATOM 0 HG22 THR A 72 -7.157 -2.285 -19.879 1.00 42.55 H new ATOM 0 HG23 THR A 72 -5.693 -1.443 -19.319 1.00 42.55 H new ATOM 1170 N PHE A 73 -5.879 -2.724 -17.017 1.00 4.51 N ATOM 1171 CA PHE A 73 -5.591 -1.962 -15.806 1.00 34.32 C ATOM 1172 C PHE A 73 -5.485 -2.900 -14.609 1.00 52.43 C ATOM 1173 O PHE A 73 -6.267 -2.808 -13.661 1.00 40.14 O ATOM 1174 CB PHE A 73 -6.655 -0.880 -15.557 1.00 41.13 C ATOM 1175 CG PHE A 73 -6.417 0.393 -16.329 1.00 31.25 C ATOM 1176 CD1 PHE A 73 -5.540 1.355 -15.841 1.00 73.22 C ATOM 1177 CD2 PHE A 73 -7.063 0.631 -17.532 1.00 4.24 C ATOM 1178 CE1 PHE A 73 -5.315 2.526 -16.540 1.00 71.13 C ATOM 1179 CE2 PHE A 73 -6.841 1.801 -18.233 1.00 31.24 C ATOM 1180 CZ PHE A 73 -5.967 2.749 -17.737 1.00 31.20 C ATOM 0 H PHE A 73 -6.868 -2.767 -17.261 1.00 4.51 H new ATOM 0 HA PHE A 73 -4.635 -1.456 -15.943 1.00 34.32 H new ATOM 0 HB2 PHE A 73 -7.634 -1.278 -15.823 1.00 41.13 H new ATOM 0 HB3 PHE A 73 -6.683 -0.649 -14.492 1.00 41.13 H new ATOM 0 HD1 PHE A 73 -5.029 1.185 -14.905 1.00 73.22 H new ATOM 0 HD2 PHE A 73 -7.747 -0.106 -17.926 1.00 4.24 H new ATOM 0 HE1 PHE A 73 -4.631 3.265 -16.151 1.00 71.13 H new ATOM 0 HE2 PHE A 73 -7.351 1.974 -19.169 1.00 31.24 H new ATOM 0 HZ PHE A 73 -5.794 3.664 -18.285 1.00 31.20 H new ATOM 1190 N GLU A 74 -4.501 -3.796 -14.677 1.00 2.45 N ATOM 1191 CA GLU A 74 -4.226 -4.780 -13.627 1.00 72.31 C ATOM 1192 C GLU A 74 -4.205 -4.128 -12.240 1.00 34.34 C ATOM 1193 O GLU A 74 -4.654 -4.711 -11.253 1.00 12.40 O ATOM 1194 CB GLU A 74 -2.857 -5.420 -13.914 1.00 54.05 C ATOM 1195 CG GLU A 74 -2.410 -6.485 -12.913 1.00 65.31 C ATOM 1196 CD GLU A 74 -3.068 -7.842 -13.120 1.00 15.11 C ATOM 1197 OE1 GLU A 74 -3.498 -8.138 -14.256 1.00 3.42 O ATOM 1198 OE2 GLU A 74 -3.097 -8.640 -12.161 1.00 4.25 O ATOM 0 H GLU A 74 -3.864 -3.861 -15.471 1.00 2.45 H new ATOM 0 HA GLU A 74 -5.016 -5.531 -13.629 1.00 72.31 H new ATOM 0 HB2 GLU A 74 -2.885 -5.868 -14.907 1.00 54.05 H new ATOM 0 HB3 GLU A 74 -2.105 -4.632 -13.941 1.00 54.05 H new ATOM 0 HG2 GLU A 74 -1.329 -6.603 -12.981 1.00 65.31 H new ATOM 0 HG3 GLU A 74 -2.630 -6.136 -11.904 1.00 65.31 H new ATOM 1205 N THR A 75 -3.701 -2.902 -12.194 1.00 54.52 N ATOM 1206 CA THR A 75 -3.416 -2.210 -10.942 1.00 21.22 C ATOM 1207 C THR A 75 -4.634 -1.466 -10.379 1.00 30.02 C ATOM 1208 O THR A 75 -4.546 -0.818 -9.332 1.00 3.43 O ATOM 1209 CB THR A 75 -2.263 -1.213 -11.170 1.00 10.01 C ATOM 1210 OG1 THR A 75 -2.617 -0.289 -12.213 1.00 11.50 O ATOM 1211 CG2 THR A 75 -0.985 -1.945 -11.565 1.00 55.24 C ATOM 0 H THR A 75 -3.477 -2.357 -13.026 1.00 54.52 H new ATOM 0 HA THR A 75 -3.139 -2.966 -10.207 1.00 21.22 H new ATOM 0 HB THR A 75 -2.089 -0.674 -10.239 1.00 10.01 H new ATOM 0 HG1 THR A 75 -1.882 0.344 -12.353 1.00 11.50 H new ATOM 0 HG21 THR A 75 -0.185 -1.222 -11.721 1.00 55.24 H new ATOM 0 HG22 THR A 75 -0.701 -2.635 -10.771 1.00 55.24 H new ATOM 0 HG23 THR A 75 -1.155 -2.502 -12.486 1.00 55.24 H new ATOM 1219 N LYS A 76 -5.765 -1.561 -11.069 1.00 60.22 N ATOM 1220 CA LYS A 76 -6.980 -0.864 -10.650 1.00 1.23 C ATOM 1221 C LYS A 76 -7.815 -1.735 -9.717 1.00 14.13 C ATOM 1222 O LYS A 76 -8.081 -2.898 -10.004 1.00 34.23 O ATOM 1223 CB LYS A 76 -7.818 -0.435 -11.875 1.00 25.23 C ATOM 1224 CG LYS A 76 -7.773 1.065 -12.169 1.00 62.31 C ATOM 1225 CD LYS A 76 -8.458 1.891 -11.074 1.00 54.32 C ATOM 1226 CE LYS A 76 -9.946 1.564 -10.957 1.00 74.15 C ATOM 1227 NZ LYS A 76 -10.637 2.428 -9.962 1.00 42.30 N ATOM 0 H LYS A 76 -5.868 -2.113 -11.921 1.00 60.22 H new ATOM 0 HA LYS A 76 -6.679 0.031 -10.106 1.00 1.23 H new ATOM 0 HB2 LYS A 76 -7.463 -0.977 -12.752 1.00 25.23 H new ATOM 0 HB3 LYS A 76 -8.854 -0.732 -11.714 1.00 25.23 H new ATOM 0 HG2 LYS A 76 -6.735 1.383 -12.266 1.00 62.31 H new ATOM 0 HG3 LYS A 76 -8.257 1.261 -13.126 1.00 62.31 H new ATOM 0 HD2 LYS A 76 -7.969 1.702 -10.118 1.00 54.32 H new ATOM 0 HD3 LYS A 76 -8.336 2.952 -11.291 1.00 54.32 H new ATOM 0 HE2 LYS A 76 -10.420 1.685 -11.931 1.00 74.15 H new ATOM 0 HE3 LYS A 76 -10.065 0.519 -10.672 1.00 74.15 H new ATOM 0 HZ1 LYS A 76 -11.536 2.766 -10.361 1.00 42.30 H new ATOM 0 HZ2 LYS A 76 -10.825 1.881 -9.098 1.00 42.30 H new ATOM 0 HZ3 LYS A 76 -10.033 3.243 -9.731 1.00 42.30 H new ATOM 1241 N ILE A 77 -8.208 -1.166 -8.587 1.00 11.24 N ATOM 1242 CA ILE A 77 -9.131 -1.818 -7.668 1.00 65.12 C ATOM 1243 C ILE A 77 -10.426 -1.004 -7.618 1.00 54.40 C ATOM 1244 O ILE A 77 -10.450 0.095 -7.068 1.00 13.43 O ATOM 1245 CB ILE A 77 -8.519 -1.948 -6.245 1.00 41.41 C ATOM 1246 CG1 ILE A 77 -7.120 -2.588 -6.316 1.00 52.33 C ATOM 1247 CG2 ILE A 77 -9.432 -2.771 -5.339 1.00 20.32 C ATOM 1248 CD1 ILE A 77 -6.419 -2.689 -4.974 1.00 2.33 C ATOM 0 H ILE A 77 -7.898 -0.243 -8.282 1.00 11.24 H new ATOM 0 HA ILE A 77 -9.335 -2.827 -8.025 1.00 65.12 H new ATOM 0 HB ILE A 77 -8.423 -0.948 -5.822 1.00 41.41 H new ATOM 0 HG12 ILE A 77 -7.210 -3.587 -6.744 1.00 52.33 H new ATOM 0 HG13 ILE A 77 -6.499 -2.005 -6.996 1.00 52.33 H new ATOM 0 HG21 ILE A 77 -8.986 -2.850 -4.348 1.00 20.32 H new ATOM 0 HG22 ILE A 77 -10.404 -2.283 -5.261 1.00 20.32 H new ATOM 0 HG23 ILE A 77 -9.560 -3.768 -5.760 1.00 20.32 H new ATOM 0 HD11 ILE A 77 -5.441 -3.150 -5.108 1.00 2.33 H new ATOM 0 HD12 ILE A 77 -6.295 -1.692 -4.552 1.00 2.33 H new ATOM 0 HD13 ILE A 77 -7.017 -3.298 -4.296 1.00 2.33 H new ATOM 1260 N SER A 78 -11.488 -1.530 -8.220 1.00 1.23 N ATOM 1261 CA SER A 78 -12.735 -0.787 -8.388 1.00 34.40 C ATOM 1262 C SER A 78 -13.387 -0.458 -7.037 1.00 32.11 C ATOM 1263 O SER A 78 -14.016 0.592 -6.880 1.00 51.01 O ATOM 1264 CB SER A 78 -13.700 -1.587 -9.275 1.00 34.03 C ATOM 1265 OG SER A 78 -14.661 -0.743 -9.892 1.00 43.10 O ATOM 0 H SER A 78 -11.511 -2.475 -8.603 1.00 1.23 H new ATOM 0 HA SER A 78 -12.503 0.161 -8.873 1.00 34.40 H new ATOM 0 HB2 SER A 78 -13.136 -2.118 -10.041 1.00 34.03 H new ATOM 0 HB3 SER A 78 -14.209 -2.340 -8.674 1.00 34.03 H new ATOM 0 HG SER A 78 -15.259 -1.282 -10.451 1.00 43.10 H new ATOM 1271 N THR A 79 -13.227 -1.351 -6.062 1.00 22.32 N ATOM 1272 CA THR A 79 -13.791 -1.142 -4.726 1.00 70.24 C ATOM 1273 C THR A 79 -12.941 -0.150 -3.915 1.00 14.21 C ATOM 1274 O THR A 79 -13.359 0.333 -2.859 1.00 23.25 O ATOM 1275 CB THR A 79 -13.920 -2.484 -3.958 1.00 54.32 C ATOM 1276 OG1 THR A 79 -14.557 -2.280 -2.688 1.00 53.44 O ATOM 1277 CG2 THR A 79 -12.558 -3.139 -3.741 1.00 22.13 C ATOM 0 H THR A 79 -12.713 -2.225 -6.170 1.00 22.32 H new ATOM 0 HA THR A 79 -14.787 -0.719 -4.855 1.00 70.24 H new ATOM 0 HB THR A 79 -14.531 -3.148 -4.569 1.00 54.32 H new ATOM 0 HG1 THR A 79 -14.359 -1.377 -2.364 1.00 53.44 H new ATOM 0 HG21 THR A 79 -12.687 -4.076 -3.200 1.00 22.13 H new ATOM 0 HG22 THR A 79 -12.092 -3.338 -4.706 1.00 22.13 H new ATOM 0 HG23 THR A 79 -11.921 -2.471 -3.162 1.00 22.13 H new ATOM 1285 N LEU A 80 -11.755 0.166 -4.430 1.00 74.12 N ATOM 1286 CA LEU A 80 -10.815 1.041 -3.731 1.00 24.41 C ATOM 1287 C LEU A 80 -11.319 2.483 -3.687 1.00 72.40 C ATOM 1288 O LEU A 80 -11.213 3.153 -2.659 1.00 44.14 O ATOM 1289 CB LEU A 80 -9.442 0.996 -4.416 1.00 14.11 C ATOM 1290 CG LEU A 80 -8.391 1.971 -3.866 1.00 20.43 C ATOM 1291 CD1 LEU A 80 -8.129 1.700 -2.391 1.00 12.24 C ATOM 1292 CD2 LEU A 80 -7.101 1.884 -4.680 1.00 15.35 C ATOM 0 H LEU A 80 -11.421 -0.172 -5.332 1.00 74.12 H new ATOM 0 HA LEU A 80 -10.725 0.680 -2.707 1.00 24.41 H new ATOM 0 HB2 LEU A 80 -9.049 -0.017 -4.334 1.00 14.11 H new ATOM 0 HB3 LEU A 80 -9.579 1.200 -5.478 1.00 14.11 H new ATOM 0 HG LEU A 80 -8.778 2.986 -3.957 1.00 20.43 H new ATOM 0 HD11 LEU A 80 -7.382 2.401 -2.019 1.00 12.24 H new ATOM 0 HD12 LEU A 80 -9.054 1.824 -1.828 1.00 12.24 H new ATOM 0 HD13 LEU A 80 -7.763 0.681 -2.268 1.00 12.24 H new ATOM 0 HD21 LEU A 80 -6.368 2.582 -4.276 1.00 15.35 H new ATOM 0 HD22 LEU A 80 -6.705 0.870 -4.626 1.00 15.35 H new ATOM 0 HD23 LEU A 80 -7.309 2.138 -5.719 1.00 15.35 H new ATOM 1304 N ASP A 81 -11.864 2.943 -4.807 1.00 20.32 N ATOM 1305 CA ASP A 81 -12.304 4.334 -4.955 1.00 54.51 C ATOM 1306 C ASP A 81 -13.221 4.755 -3.807 1.00 63.30 C ATOM 1307 O ASP A 81 -13.002 5.792 -3.172 1.00 1.22 O ATOM 1308 CB ASP A 81 -13.025 4.518 -6.299 1.00 70.24 C ATOM 1309 CG ASP A 81 -12.125 4.224 -7.491 1.00 61.33 C ATOM 1310 OD1 ASP A 81 -11.782 3.041 -7.705 1.00 62.42 O ATOM 1311 OD2 ASP A 81 -11.758 5.170 -8.227 1.00 32.50 O ATOM 0 H ASP A 81 -12.015 2.369 -5.637 1.00 20.32 H new ATOM 0 HA ASP A 81 -11.419 4.970 -4.929 1.00 54.51 H new ATOM 0 HB2 ASP A 81 -13.894 3.861 -6.334 1.00 70.24 H new ATOM 0 HB3 ASP A 81 -13.395 5.541 -6.371 1.00 70.24 H new ATOM 1316 N GLU A 82 -14.233 3.936 -3.532 1.00 3.13 N ATOM 1317 CA GLU A 82 -15.205 4.244 -2.482 1.00 30.31 C ATOM 1318 C GLU A 82 -14.545 4.205 -1.104 1.00 53.33 C ATOM 1319 O GLU A 82 -14.896 4.986 -0.216 1.00 51.41 O ATOM 1320 CB GLU A 82 -16.387 3.263 -2.536 1.00 13.24 C ATOM 1321 CG GLU A 82 -17.023 3.141 -3.919 1.00 22.15 C ATOM 1322 CD GLU A 82 -17.317 4.492 -4.559 1.00 65.14 C ATOM 1323 OE1 GLU A 82 -18.281 5.166 -4.139 1.00 34.24 O ATOM 1324 OE2 GLU A 82 -16.589 4.884 -5.496 1.00 3.32 O ATOM 0 H GLU A 82 -14.403 3.056 -4.019 1.00 3.13 H new ATOM 0 HA GLU A 82 -15.582 5.252 -2.654 1.00 30.31 H new ATOM 0 HB2 GLU A 82 -16.045 2.279 -2.215 1.00 13.24 H new ATOM 0 HB3 GLU A 82 -17.147 3.584 -1.824 1.00 13.24 H new ATOM 0 HG2 GLU A 82 -16.358 2.573 -4.570 1.00 22.15 H new ATOM 0 HG3 GLU A 82 -17.950 2.574 -3.838 1.00 22.15 H new ATOM 1331 N TYR A 83 -13.582 3.293 -0.941 1.00 41.33 N ATOM 1332 CA TYR A 83 -12.821 3.168 0.303 1.00 64.22 C ATOM 1333 C TYR A 83 -12.048 4.456 0.589 1.00 62.34 C ATOM 1334 O TYR A 83 -12.172 5.046 1.663 1.00 64.04 O ATOM 1335 CB TYR A 83 -11.851 1.974 0.208 1.00 12.32 C ATOM 1336 CG TYR A 83 -10.777 1.943 1.288 1.00 44.12 C ATOM 1337 CD1 TYR A 83 -11.035 1.411 2.548 1.00 63.51 C ATOM 1338 CD2 TYR A 83 -9.501 2.444 1.039 1.00 4.53 C ATOM 1339 CE1 TYR A 83 -10.053 1.383 3.524 1.00 61.41 C ATOM 1340 CE2 TYR A 83 -8.518 2.418 2.008 1.00 74.31 C ATOM 1341 CZ TYR A 83 -8.797 1.889 3.249 1.00 61.42 C ATOM 1342 OH TYR A 83 -7.819 1.866 4.217 1.00 12.25 O ATOM 0 H TYR A 83 -13.310 2.626 -1.663 1.00 41.33 H new ATOM 0 HA TYR A 83 -13.517 2.995 1.123 1.00 64.22 H new ATOM 0 HB2 TYR A 83 -12.427 1.050 0.260 1.00 12.32 H new ATOM 0 HB3 TYR A 83 -11.366 1.993 -0.768 1.00 12.32 H new ATOM 0 HD1 TYR A 83 -12.015 1.014 2.768 1.00 63.51 H new ATOM 0 HD2 TYR A 83 -9.276 2.861 0.068 1.00 4.53 H new ATOM 0 HE1 TYR A 83 -10.268 0.967 4.497 1.00 61.41 H new ATOM 0 HE2 TYR A 83 -7.535 2.811 1.794 1.00 74.31 H new ATOM 0 HH TYR A 83 -7.250 2.659 4.126 1.00 12.25 H new ATOM 1352 N ILE A 84 -11.263 4.891 -0.394 1.00 22.34 N ATOM 1353 CA ILE A 84 -10.446 6.093 -0.259 1.00 60.34 C ATOM 1354 C ILE A 84 -11.321 7.297 0.075 1.00 74.51 C ATOM 1355 O ILE A 84 -10.979 8.102 0.938 1.00 41.22 O ATOM 1356 CB ILE A 84 -9.643 6.373 -1.561 1.00 41.33 C ATOM 1357 CG1 ILE A 84 -8.645 5.236 -1.837 1.00 20.45 C ATOM 1358 CG2 ILE A 84 -8.920 7.719 -1.489 1.00 2.40 C ATOM 1359 CD1 ILE A 84 -7.577 5.078 -0.773 1.00 3.52 C ATOM 0 H ILE A 84 -11.176 4.425 -1.297 1.00 22.34 H new ATOM 0 HA ILE A 84 -9.740 5.926 0.554 1.00 60.34 H new ATOM 0 HB ILE A 84 -10.352 6.419 -2.387 1.00 41.33 H new ATOM 0 HG12 ILE A 84 -9.194 4.299 -1.927 1.00 20.45 H new ATOM 0 HG13 ILE A 84 -8.162 5.416 -2.797 1.00 20.45 H new ATOM 0 HG21 ILE A 84 -8.368 7.885 -2.414 1.00 2.40 H new ATOM 0 HG22 ILE A 84 -9.650 8.517 -1.353 1.00 2.40 H new ATOM 0 HG23 ILE A 84 -8.226 7.715 -0.648 1.00 2.40 H new ATOM 0 HD11 ILE A 84 -6.914 4.256 -1.042 1.00 3.52 H new ATOM 0 HD12 ILE A 84 -7.000 6.000 -0.697 1.00 3.52 H new ATOM 0 HD13 ILE A 84 -8.048 4.865 0.187 1.00 3.52 H new ATOM 1371 N TYR A 85 -12.473 7.376 -0.584 1.00 73.14 N ATOM 1372 CA TYR A 85 -13.383 8.503 -0.421 1.00 34.22 C ATOM 1373 C TYR A 85 -13.844 8.633 1.034 1.00 11.23 C ATOM 1374 O TYR A 85 -14.036 9.744 1.541 1.00 30.33 O ATOM 1375 CB TYR A 85 -14.590 8.333 -1.351 1.00 13.11 C ATOM 1376 CG TYR A 85 -15.443 9.578 -1.481 1.00 31.13 C ATOM 1377 CD1 TYR A 85 -15.092 10.582 -2.375 1.00 22.23 C ATOM 1378 CD2 TYR A 85 -16.591 9.753 -0.715 1.00 12.00 C ATOM 1379 CE1 TYR A 85 -15.854 11.722 -2.503 1.00 71.53 C ATOM 1380 CE2 TYR A 85 -17.360 10.893 -0.839 1.00 41.54 C ATOM 1381 CZ TYR A 85 -16.987 11.873 -1.734 1.00 55.43 C ATOM 1382 OH TYR A 85 -17.748 13.011 -1.860 1.00 2.43 O ATOM 0 H TYR A 85 -12.799 6.667 -1.240 1.00 73.14 H new ATOM 0 HA TYR A 85 -12.852 9.417 -0.686 1.00 34.22 H new ATOM 0 HB2 TYR A 85 -14.236 8.042 -2.340 1.00 13.11 H new ATOM 0 HB3 TYR A 85 -15.210 7.516 -0.981 1.00 13.11 H new ATOM 0 HD1 TYR A 85 -14.205 10.466 -2.981 1.00 22.23 H new ATOM 0 HD2 TYR A 85 -16.885 8.986 -0.013 1.00 12.00 H new ATOM 0 HE1 TYR A 85 -15.565 12.493 -3.202 1.00 71.53 H new ATOM 0 HE2 TYR A 85 -18.249 11.016 -0.238 1.00 41.54 H new ATOM 0 HH TYR A 85 -18.513 12.962 -1.249 1.00 2.43 H new ATOM 1392 N GLU A 86 -14.017 7.495 1.701 1.00 31.50 N ATOM 1393 CA GLU A 86 -14.463 7.477 3.092 1.00 63.10 C ATOM 1394 C GLU A 86 -13.386 8.032 4.024 1.00 62.32 C ATOM 1395 O GLU A 86 -13.691 8.725 4.999 1.00 71.15 O ATOM 1396 CB GLU A 86 -14.837 6.050 3.522 1.00 10.35 C ATOM 1397 CG GLU A 86 -16.029 5.464 2.768 1.00 10.34 C ATOM 1398 CD GLU A 86 -17.311 6.248 3.000 1.00 75.30 C ATOM 1399 OE1 GLU A 86 -17.982 6.017 4.032 1.00 12.34 O ATOM 1400 OE2 GLU A 86 -17.652 7.102 2.156 1.00 12.54 O ATOM 0 H GLU A 86 -13.855 6.571 1.300 1.00 31.50 H new ATOM 0 HA GLU A 86 -15.345 8.114 3.164 1.00 63.10 H new ATOM 0 HB2 GLU A 86 -13.974 5.400 3.377 1.00 10.35 H new ATOM 0 HB3 GLU A 86 -15.060 6.050 4.589 1.00 10.35 H new ATOM 0 HG2 GLU A 86 -15.806 5.447 1.701 1.00 10.34 H new ATOM 0 HG3 GLU A 86 -16.178 4.430 3.079 1.00 10.34 H new ATOM 1407 N TYR A 87 -12.127 7.731 3.719 1.00 24.11 N ATOM 1408 CA TYR A 87 -11.007 8.130 4.572 1.00 45.20 C ATOM 1409 C TYR A 87 -10.223 9.284 3.944 1.00 40.31 C ATOM 1410 O TYR A 87 -10.351 10.438 4.358 1.00 40.53 O ATOM 1411 CB TYR A 87 -10.077 6.932 4.823 1.00 72.02 C ATOM 1412 CG TYR A 87 -10.758 5.761 5.514 1.00 73.31 C ATOM 1413 CD1 TYR A 87 -11.434 4.789 4.782 1.00 14.34 C ATOM 1414 CD2 TYR A 87 -10.730 5.635 6.901 1.00 20.25 C ATOM 1415 CE1 TYR A 87 -12.058 3.728 5.410 1.00 70.22 C ATOM 1416 CE2 TYR A 87 -11.354 4.575 7.533 1.00 12.03 C ATOM 1417 CZ TYR A 87 -12.016 3.626 6.783 1.00 72.43 C ATOM 1418 OH TYR A 87 -12.643 2.568 7.410 1.00 13.42 O ATOM 0 H TYR A 87 -11.854 7.211 2.885 1.00 24.11 H new ATOM 0 HA TYR A 87 -11.411 8.472 5.525 1.00 45.20 H new ATOM 0 HB2 TYR A 87 -9.671 6.593 3.870 1.00 72.02 H new ATOM 0 HB3 TYR A 87 -9.233 7.260 5.431 1.00 72.02 H new ATOM 0 HD1 TYR A 87 -11.471 4.865 3.705 1.00 14.34 H new ATOM 0 HD2 TYR A 87 -10.213 6.377 7.492 1.00 20.25 H new ATOM 0 HE1 TYR A 87 -12.577 2.982 4.827 1.00 70.22 H new ATOM 0 HE2 TYR A 87 -11.323 4.491 8.609 1.00 12.03 H new ATOM 0 HH TYR A 87 -12.519 2.642 8.379 1.00 13.42 H new ATOM 1428 N CYS A 88 -9.434 8.968 2.925 1.00 25.01 N ATOM 1429 CA CYS A 88 -8.558 9.945 2.288 1.00 4.25 C ATOM 1430 C CYS A 88 -9.303 10.675 1.164 1.00 22.34 C ATOM 1431 O CYS A 88 -9.054 10.450 -0.022 1.00 40.35 O ATOM 1432 CB CYS A 88 -7.299 9.238 1.755 1.00 65.24 C ATOM 1433 SG CYS A 88 -5.983 10.356 1.164 1.00 54.04 S ATOM 0 H CYS A 88 -9.383 8.034 2.518 1.00 25.01 H new ATOM 0 HA CYS A 88 -8.252 10.691 3.022 1.00 4.25 H new ATOM 0 HB2 CYS A 88 -6.892 8.607 2.545 1.00 65.24 H new ATOM 0 HB3 CYS A 88 -7.589 8.578 0.938 1.00 65.24 H new ATOM 1438 N ASN A 89 -10.243 11.534 1.557 1.00 41.52 N ATOM 1439 CA ASN A 89 -11.075 12.281 0.608 1.00 22.04 C ATOM 1440 C ASN A 89 -10.276 13.469 0.047 1.00 3.10 C ATOM 1441 O ASN A 89 -9.184 13.762 0.540 1.00 44.34 O ATOM 1442 CB ASN A 89 -12.354 12.766 1.325 1.00 20.23 C ATOM 1443 CG ASN A 89 -13.527 13.054 0.391 1.00 63.43 C ATOM 1444 OD1 ASN A 89 -13.354 13.393 -0.778 1.00 54.44 O ATOM 1445 ND2 ASN A 89 -14.739 12.921 0.911 1.00 1.01 N ATOM 0 H ASN A 89 -10.450 11.733 2.536 1.00 41.52 H new ATOM 0 HA ASN A 89 -11.363 11.638 -0.224 1.00 22.04 H new ATOM 0 HB2 ASN A 89 -12.659 12.011 2.050 1.00 20.23 H new ATOM 0 HB3 ASN A 89 -12.121 13.671 1.886 1.00 20.23 H new ATOM 0 HD21 ASN A 89 -15.563 13.102 0.337 1.00 1.01 H new ATOM 0 HD22 ASN A 89 -14.848 12.638 1.885 1.00 1.01 H new ATOM 1452 N PHE A 90 -10.818 14.139 -0.975 1.00 12.45 N ATOM 1453 CA PHE A 90 -10.167 15.296 -1.604 1.00 12.43 C ATOM 1454 C PHE A 90 -9.588 16.245 -0.547 1.00 0.34 C ATOM 1455 O PHE A 90 -10.314 16.764 0.309 1.00 4.03 O ATOM 1456 CB PHE A 90 -11.172 16.039 -2.502 1.00 2.30 C ATOM 1457 CG PHE A 90 -10.581 17.216 -3.248 1.00 35.55 C ATOM 1458 CD1 PHE A 90 -9.810 17.018 -4.386 1.00 31.12 C ATOM 1459 CD2 PHE A 90 -10.793 18.518 -2.809 1.00 61.44 C ATOM 1460 CE1 PHE A 90 -9.266 18.090 -5.069 1.00 62.23 C ATOM 1461 CE2 PHE A 90 -10.249 19.592 -3.488 1.00 64.01 C ATOM 1462 CZ PHE A 90 -9.486 19.377 -4.619 1.00 61.40 C ATOM 0 H PHE A 90 -11.718 13.897 -1.390 1.00 12.45 H new ATOM 0 HA PHE A 90 -9.341 14.935 -2.217 1.00 12.43 H new ATOM 0 HB2 PHE A 90 -11.587 15.336 -3.224 1.00 2.30 H new ATOM 0 HB3 PHE A 90 -12.001 16.391 -1.888 1.00 2.30 H new ATOM 0 HD1 PHE A 90 -9.633 16.014 -4.742 1.00 31.12 H new ATOM 0 HD2 PHE A 90 -11.390 18.692 -1.926 1.00 61.44 H new ATOM 0 HE1 PHE A 90 -8.670 17.921 -5.953 1.00 62.23 H new ATOM 0 HE2 PHE A 90 -10.420 20.598 -3.135 1.00 64.01 H new ATOM 0 HZ PHE A 90 -9.061 20.215 -5.151 1.00 61.40 H new ATOM 1472 N GLY A 91 -8.279 16.468 -0.621 1.00 41.10 N ATOM 1473 CA GLY A 91 -7.580 17.213 0.414 1.00 73.12 C ATOM 1474 C GLY A 91 -6.858 16.269 1.351 1.00 71.04 C ATOM 1475 O GLY A 91 -7.007 16.342 2.572 1.00 12.35 O ATOM 0 H GLY A 91 -7.686 16.144 -1.385 1.00 41.10 H new ATOM 0 HA2 GLY A 91 -6.866 17.898 -0.042 1.00 73.12 H new ATOM 0 HA3 GLY A 91 -8.290 17.820 0.976 1.00 73.12 H new ATOM 1479 N CYS A 92 -6.075 15.375 0.763 1.00 15.34 N ATOM 1480 CA CYS A 92 -5.419 14.298 1.492 1.00 23.03 C ATOM 1481 C CYS A 92 -4.324 13.688 0.612 1.00 2.21 C ATOM 1482 O CYS A 92 -4.048 14.205 -0.473 1.00 21.41 O ATOM 1483 CB CYS A 92 -6.468 13.244 1.895 1.00 24.21 C ATOM 1484 SG CYS A 92 -5.792 11.729 2.648 1.00 3.12 S ATOM 0 H CYS A 92 -5.876 15.376 -0.237 1.00 15.34 H new ATOM 0 HA CYS A 92 -4.954 14.681 2.400 1.00 23.03 H new ATOM 0 HB2 CYS A 92 -7.167 13.699 2.597 1.00 24.21 H new ATOM 0 HB3 CYS A 92 -7.040 12.967 1.010 1.00 24.21 H new ATOM 1489 N ALA A 93 -3.696 12.607 1.075 1.00 64.20 N ATOM 1490 CA ALA A 93 -2.638 11.941 0.320 1.00 43.53 C ATOM 1491 C ALA A 93 -2.705 10.429 0.523 1.00 71.11 C ATOM 1492 O ALA A 93 -3.023 9.958 1.620 1.00 33.41 O ATOM 1493 CB ALA A 93 -1.271 12.476 0.741 1.00 0.43 C ATOM 0 H ALA A 93 -3.904 12.173 1.974 1.00 64.20 H new ATOM 0 HA ALA A 93 -2.783 12.151 -0.740 1.00 43.53 H new ATOM 0 HB1 ALA A 93 -0.491 11.971 0.171 1.00 0.43 H new ATOM 0 HB2 ALA A 93 -1.225 13.548 0.549 1.00 0.43 H new ATOM 0 HB3 ALA A 93 -1.120 12.291 1.805 1.00 0.43 H new ATOM 1499 N TYR A 94 -2.405 9.672 -0.531 1.00 3.02 N ATOM 1500 CA TYR A 94 -2.433 8.215 -0.464 1.00 13.51 C ATOM 1501 C TYR A 94 -1.556 7.613 -1.562 1.00 53.54 C ATOM 1502 O TYR A 94 -1.162 8.301 -2.511 1.00 74.14 O ATOM 1503 CB TYR A 94 -3.878 7.689 -0.585 1.00 71.45 C ATOM 1504 CG TYR A 94 -4.478 7.822 -1.978 1.00 42.35 C ATOM 1505 CD1 TYR A 94 -4.865 9.060 -2.482 1.00 35.42 C ATOM 1506 CD2 TYR A 94 -4.650 6.704 -2.793 1.00 22.32 C ATOM 1507 CE1 TYR A 94 -5.399 9.181 -3.753 1.00 72.33 C ATOM 1508 CE2 TYR A 94 -5.186 6.818 -4.061 1.00 65.34 C ATOM 1509 CZ TYR A 94 -5.557 8.058 -4.537 1.00 11.53 C ATOM 1510 OH TYR A 94 -6.079 8.176 -5.806 1.00 34.20 O ATOM 0 H TYR A 94 -2.140 10.046 -1.442 1.00 3.02 H new ATOM 0 HA TYR A 94 -2.037 7.911 0.505 1.00 13.51 H new ATOM 0 HB2 TYR A 94 -3.896 6.639 -0.293 1.00 71.45 H new ATOM 0 HB3 TYR A 94 -4.509 8.227 0.123 1.00 71.45 H new ATOM 0 HD1 TYR A 94 -4.747 9.942 -1.870 1.00 35.42 H new ATOM 0 HD2 TYR A 94 -4.359 5.731 -2.426 1.00 22.32 H new ATOM 0 HE1 TYR A 94 -5.691 10.151 -4.129 1.00 72.33 H new ATOM 0 HE2 TYR A 94 -5.314 5.940 -4.677 1.00 65.34 H new ATOM 0 HH TYR A 94 -5.408 7.897 -6.463 1.00 34.20 H new ATOM 1520 N PHE A 95 -1.267 6.326 -1.424 1.00 14.31 N ATOM 1521 CA PHE A 95 -0.437 5.595 -2.371 1.00 62.25 C ATOM 1522 C PHE A 95 -0.853 4.126 -2.387 1.00 70.45 C ATOM 1523 O PHE A 95 -1.413 3.627 -1.411 1.00 2.35 O ATOM 1524 CB PHE A 95 1.049 5.728 -1.999 1.00 21.24 C ATOM 1525 CG PHE A 95 1.377 5.250 -0.602 1.00 53.00 C ATOM 1526 CD1 PHE A 95 1.248 6.103 0.487 1.00 3.23 C ATOM 1527 CD2 PHE A 95 1.814 3.951 -0.377 1.00 30.10 C ATOM 1528 CE1 PHE A 95 1.547 5.671 1.765 1.00 5.43 C ATOM 1529 CE2 PHE A 95 2.115 3.516 0.899 1.00 52.14 C ATOM 1530 CZ PHE A 95 1.981 4.376 1.971 1.00 24.45 C ATOM 0 H PHE A 95 -1.604 5.757 -0.647 1.00 14.31 H new ATOM 0 HA PHE A 95 -0.577 6.017 -3.366 1.00 62.25 H new ATOM 0 HB2 PHE A 95 1.645 5.162 -2.715 1.00 21.24 H new ATOM 0 HB3 PHE A 95 1.345 6.773 -2.094 1.00 21.24 H new ATOM 0 HD1 PHE A 95 0.910 7.117 0.333 1.00 3.23 H new ATOM 0 HD2 PHE A 95 1.920 3.272 -1.210 1.00 30.10 H new ATOM 0 HE1 PHE A 95 1.441 6.345 2.602 1.00 5.43 H new ATOM 0 HE2 PHE A 95 2.455 2.503 1.058 1.00 52.14 H new ATOM 0 HZ PHE A 95 2.215 4.037 2.969 1.00 24.45 H new ATOM 1540 N VAL A 96 -0.591 3.440 -3.493 1.00 51.33 N ATOM 1541 CA VAL A 96 -0.958 2.032 -3.633 1.00 24.14 C ATOM 1542 C VAL A 96 0.219 1.220 -4.170 1.00 41.24 C ATOM 1543 O VAL A 96 0.772 1.536 -5.231 1.00 51.13 O ATOM 1544 CB VAL A 96 -2.178 1.847 -4.578 1.00 3.32 C ATOM 1545 CG1 VAL A 96 -2.574 0.372 -4.679 1.00 64.42 C ATOM 1546 CG2 VAL A 96 -3.364 2.695 -4.117 1.00 51.50 C ATOM 0 H VAL A 96 -0.124 3.835 -4.309 1.00 51.33 H new ATOM 0 HA VAL A 96 -1.230 1.673 -2.640 1.00 24.14 H new ATOM 0 HB VAL A 96 -1.885 2.188 -5.571 1.00 3.32 H new ATOM 0 HG11 VAL A 96 -3.430 0.270 -5.346 1.00 64.42 H new ATOM 0 HG12 VAL A 96 -1.736 -0.203 -5.073 1.00 64.42 H new ATOM 0 HG13 VAL A 96 -2.838 -0.002 -3.690 1.00 64.42 H new ATOM 0 HG21 VAL A 96 -4.203 2.546 -4.796 1.00 51.50 H new ATOM 0 HG22 VAL A 96 -3.655 2.397 -3.110 1.00 51.50 H new ATOM 0 HG23 VAL A 96 -3.080 3.747 -4.116 1.00 51.50 H new ATOM 1556 N LEU A 97 0.603 0.186 -3.425 1.00 40.14 N ATOM 1557 CA LEU A 97 1.640 -0.750 -3.853 1.00 41.24 C ATOM 1558 C LEU A 97 1.019 -2.095 -4.218 1.00 25.44 C ATOM 1559 O LEU A 97 0.146 -2.606 -3.513 1.00 30.41 O ATOM 1560 CB LEU A 97 2.706 -0.953 -2.755 1.00 33.53 C ATOM 1561 CG LEU A 97 3.895 0.028 -2.779 1.00 62.43 C ATOM 1562 CD1 LEU A 97 3.451 1.460 -2.506 1.00 2.51 C ATOM 1563 CD2 LEU A 97 4.957 -0.401 -1.772 1.00 31.42 C ATOM 0 H LEU A 97 0.205 -0.026 -2.510 1.00 40.14 H new ATOM 0 HA LEU A 97 2.128 -0.323 -4.729 1.00 41.24 H new ATOM 0 HB2 LEU A 97 2.218 -0.877 -1.784 1.00 33.53 H new ATOM 0 HB3 LEU A 97 3.096 -1.968 -2.838 1.00 33.53 H new ATOM 0 HG LEU A 97 4.324 0.002 -3.781 1.00 62.43 H new ATOM 0 HD11 LEU A 97 4.318 2.121 -2.531 1.00 2.51 H new ATOM 0 HD12 LEU A 97 2.735 1.770 -3.267 1.00 2.51 H new ATOM 0 HD13 LEU A 97 2.982 1.514 -1.524 1.00 2.51 H new ATOM 0 HD21 LEU A 97 5.790 0.301 -1.800 1.00 31.42 H new ATOM 0 HD22 LEU A 97 4.526 -0.412 -0.771 1.00 31.42 H new ATOM 0 HD23 LEU A 97 5.315 -1.399 -2.024 1.00 31.42 H new ATOM 1575 N LYS A 98 1.480 -2.661 -5.320 1.00 21.22 N ATOM 1576 CA LYS A 98 1.012 -3.957 -5.792 1.00 73.32 C ATOM 1577 C LYS A 98 2.090 -5.012 -5.566 1.00 65.11 C ATOM 1578 O LYS A 98 3.256 -4.794 -5.894 1.00 20.20 O ATOM 1579 CB LYS A 98 0.650 -3.855 -7.279 1.00 35.32 C ATOM 1580 CG LYS A 98 0.440 -5.192 -7.979 1.00 33.20 C ATOM 1581 CD LYS A 98 -0.022 -4.993 -9.421 1.00 72.15 C ATOM 1582 CE LYS A 98 -0.047 -6.299 -10.199 1.00 32.52 C ATOM 1583 NZ LYS A 98 1.309 -6.894 -10.323 1.00 71.32 N ATOM 0 H LYS A 98 2.191 -2.236 -5.915 1.00 21.22 H new ATOM 0 HA LYS A 98 0.124 -4.254 -5.234 1.00 73.32 H new ATOM 0 HB2 LYS A 98 -0.260 -3.263 -7.377 1.00 35.32 H new ATOM 0 HB3 LYS A 98 1.442 -3.311 -7.795 1.00 35.32 H new ATOM 0 HG2 LYS A 98 1.369 -5.762 -7.967 1.00 33.20 H new ATOM 0 HG3 LYS A 98 -0.300 -5.778 -7.435 1.00 33.20 H new ATOM 0 HD2 LYS A 98 -1.018 -4.551 -9.424 1.00 72.15 H new ATOM 0 HD3 LYS A 98 0.642 -4.287 -9.920 1.00 72.15 H new ATOM 0 HE2 LYS A 98 -0.710 -7.006 -9.701 1.00 32.52 H new ATOM 0 HE3 LYS A 98 -0.459 -6.122 -11.193 1.00 32.52 H new ATOM 0 HZ1 LYS A 98 1.345 -7.504 -11.165 1.00 71.32 H new ATOM 0 HZ2 LYS A 98 2.014 -6.135 -10.415 1.00 71.32 H new ATOM 0 HZ3 LYS A 98 1.518 -7.460 -9.476 1.00 71.32 H new ATOM 1597 N ARG A 99 1.700 -6.141 -4.985 1.00 52.42 N ATOM 1598 CA ARG A 99 2.634 -7.225 -4.696 1.00 11.41 C ATOM 1599 C ARG A 99 2.762 -8.108 -5.934 1.00 60.40 C ATOM 1600 O ARG A 99 1.758 -8.562 -6.484 1.00 20.32 O ATOM 1601 CB ARG A 99 2.140 -8.026 -3.475 1.00 61.12 C ATOM 1602 CG ARG A 99 3.181 -8.939 -2.817 1.00 23.23 C ATOM 1603 CD ARG A 99 3.382 -10.246 -3.575 1.00 60.52 C ATOM 1604 NE ARG A 99 2.118 -10.943 -3.813 1.00 13.21 N ATOM 1605 CZ ARG A 99 1.528 -11.765 -2.942 1.00 10.43 C ATOM 1606 NH1 ARG A 99 2.066 -11.985 -1.749 1.00 24.42 N ATOM 1607 NH2 ARG A 99 0.385 -12.350 -3.264 1.00 43.21 N ATOM 0 H ARG A 99 0.738 -6.331 -4.703 1.00 52.42 H new ATOM 0 HA ARG A 99 3.618 -6.826 -4.452 1.00 11.41 H new ATOM 0 HB2 ARG A 99 1.774 -7.324 -2.726 1.00 61.12 H new ATOM 0 HB3 ARG A 99 1.291 -8.636 -3.782 1.00 61.12 H new ATOM 0 HG2 ARG A 99 4.132 -8.411 -2.753 1.00 23.23 H new ATOM 0 HG3 ARG A 99 2.870 -9.160 -1.796 1.00 23.23 H new ATOM 0 HD2 ARG A 99 3.868 -10.041 -4.529 1.00 60.52 H new ATOM 0 HD3 ARG A 99 4.052 -10.894 -3.009 1.00 60.52 H new ATOM 0 HE ARG A 99 1.654 -10.790 -4.709 1.00 13.21 H new ATOM 0 HH11 ARG A 99 2.938 -11.524 -1.490 1.00 24.42 H new ATOM 0 HH12 ARG A 99 1.607 -12.615 -1.091 1.00 24.42 H new ATOM 0 HH21 ARG A 99 -0.041 -12.172 -4.174 1.00 43.21 H new ATOM 0 HH22 ARG A 99 -0.070 -12.979 -2.602 1.00 43.21 H new ATOM 1621 N ILE A 100 3.989 -8.328 -6.380 1.00 54.42 N ATOM 1622 CA ILE A 100 4.239 -9.057 -7.617 1.00 34.23 C ATOM 1623 C ILE A 100 4.141 -10.567 -7.398 1.00 24.25 C ATOM 1624 O ILE A 100 4.457 -11.071 -6.321 1.00 2.22 O ATOM 1625 CB ILE A 100 5.633 -8.715 -8.201 1.00 2.30 C ATOM 1626 CG1 ILE A 100 5.848 -7.193 -8.228 1.00 2.31 C ATOM 1627 CG2 ILE A 100 5.784 -9.298 -9.607 1.00 14.24 C ATOM 1628 CD1 ILE A 100 4.824 -6.442 -9.051 1.00 32.43 C ATOM 0 H ILE A 100 4.832 -8.011 -5.902 1.00 54.42 H new ATOM 0 HA ILE A 100 3.472 -8.749 -8.328 1.00 34.23 H new ATOM 0 HB ILE A 100 6.392 -9.161 -7.558 1.00 2.30 H new ATOM 0 HG12 ILE A 100 5.826 -6.815 -7.206 1.00 2.31 H new ATOM 0 HG13 ILE A 100 6.842 -6.984 -8.624 1.00 2.31 H new ATOM 0 HG21 ILE A 100 6.769 -9.048 -10.001 1.00 14.24 H new ATOM 0 HG22 ILE A 100 5.675 -10.382 -9.565 1.00 14.24 H new ATOM 0 HG23 ILE A 100 5.016 -8.881 -10.258 1.00 14.24 H new ATOM 0 HD11 ILE A 100 5.044 -5.375 -9.020 1.00 32.43 H new ATOM 0 HD12 ILE A 100 4.860 -6.790 -10.083 1.00 32.43 H new ATOM 0 HD13 ILE A 100 3.829 -6.619 -8.643 1.00 32.43 H new ATOM 1640 N ARG A 101 3.720 -11.278 -8.439 1.00 62.22 N ATOM 1641 CA ARG A 101 3.602 -12.739 -8.417 1.00 60.44 C ATOM 1642 C ARG A 101 4.979 -13.419 -8.531 1.00 14.51 C ATOM 1643 O ARG A 101 5.108 -14.489 -9.129 1.00 51.41 O ATOM 1644 CB ARG A 101 2.678 -13.181 -9.567 1.00 4.14 C ATOM 1645 CG ARG A 101 3.108 -12.656 -10.943 1.00 43.14 C ATOM 1646 CD ARG A 101 1.935 -12.077 -11.734 1.00 33.54 C ATOM 1647 NE ARG A 101 0.924 -13.086 -12.052 1.00 13.13 N ATOM 1648 CZ ARG A 101 -0.375 -12.824 -12.216 1.00 63.34 C ATOM 1649 NH1 ARG A 101 -0.844 -11.596 -12.031 1.00 51.32 N ATOM 1650 NH2 ARG A 101 -1.207 -13.795 -12.556 1.00 32.32 N ATOM 0 H ARG A 101 3.449 -10.858 -9.328 1.00 62.22 H new ATOM 0 HA ARG A 101 3.174 -13.045 -7.462 1.00 60.44 H new ATOM 0 HB2 ARG A 101 2.647 -14.270 -9.597 1.00 4.14 H new ATOM 0 HB3 ARG A 101 1.664 -12.839 -9.358 1.00 4.14 H new ATOM 0 HG2 ARG A 101 3.871 -11.888 -10.815 1.00 43.14 H new ATOM 0 HG3 ARG A 101 3.563 -13.466 -11.513 1.00 43.14 H new ATOM 0 HD2 ARG A 101 1.474 -11.274 -11.159 1.00 33.54 H new ATOM 0 HD3 ARG A 101 2.307 -11.635 -12.658 1.00 33.54 H new ATOM 0 HE ARG A 101 1.232 -14.053 -12.155 1.00 13.13 H new ATOM 0 HH11 ARG A 101 -0.211 -10.843 -11.761 1.00 51.32 H new ATOM 0 HH12 ARG A 101 -1.838 -11.405 -12.159 1.00 51.32 H new ATOM 0 HH21 ARG A 101 -0.856 -14.743 -12.693 1.00 32.32 H new ATOM 0 HH22 ARG A 101 -2.199 -13.596 -12.681 1.00 32.32 H new ATOM 1664 N LYS A 102 5.993 -12.802 -7.923 1.00 40.32 N ATOM 1665 CA LYS A 102 7.362 -13.316 -7.934 1.00 11.53 C ATOM 1666 C LYS A 102 8.218 -12.490 -6.982 1.00 14.31 C ATOM 1667 O LYS A 102 7.739 -11.516 -6.396 1.00 44.13 O ATOM 1668 CB LYS A 102 7.964 -13.265 -9.350 1.00 23.43 C ATOM 1669 CG LYS A 102 8.105 -11.850 -9.901 1.00 71.42 C ATOM 1670 CD LYS A 102 8.699 -11.837 -11.305 1.00 25.24 C ATOM 1671 CE LYS A 102 8.677 -10.436 -11.908 1.00 61.03 C ATOM 1672 NZ LYS A 102 9.556 -9.476 -11.180 1.00 2.44 N ATOM 0 H LYS A 102 5.887 -11.928 -7.407 1.00 40.32 H new ATOM 0 HA LYS A 102 7.343 -14.357 -7.611 1.00 11.53 H new ATOM 0 HB2 LYS A 102 8.945 -13.740 -9.336 1.00 23.43 H new ATOM 0 HB3 LYS A 102 7.336 -13.848 -10.024 1.00 23.43 H new ATOM 0 HG2 LYS A 102 7.127 -11.369 -9.917 1.00 71.42 H new ATOM 0 HG3 LYS A 102 8.738 -11.264 -9.235 1.00 71.42 H new ATOM 0 HD2 LYS A 102 9.725 -12.203 -11.271 1.00 25.24 H new ATOM 0 HD3 LYS A 102 8.138 -12.519 -11.945 1.00 25.24 H new ATOM 0 HE2 LYS A 102 8.991 -10.490 -12.950 1.00 61.03 H new ATOM 0 HE3 LYS A 102 7.654 -10.060 -11.903 1.00 61.03 H new ATOM 0 HZ1 LYS A 102 9.411 -8.518 -11.558 1.00 2.44 H new ATOM 0 HZ2 LYS A 102 9.320 -9.488 -10.167 1.00 2.44 H new ATOM 0 HZ3 LYS A 102 10.551 -9.752 -11.307 1.00 2.44 H new ATOM 1686 N LEU A 103 9.478 -12.877 -6.832 1.00 12.42 N ATOM 1687 CA LEU A 103 10.420 -12.136 -6.004 1.00 64.45 C ATOM 1688 C LEU A 103 11.824 -12.298 -6.566 1.00 53.10 C ATOM 1689 O LEU A 103 12.411 -13.384 -6.495 1.00 42.32 O ATOM 1690 CB LEU A 103 10.335 -12.626 -4.540 1.00 72.31 C ATOM 1691 CG LEU A 103 11.217 -11.893 -3.502 1.00 33.24 C ATOM 1692 CD1 LEU A 103 12.662 -12.388 -3.529 1.00 4.54 C ATOM 1693 CD2 LEU A 103 11.162 -10.378 -3.713 1.00 52.54 C ATOM 0 H LEU A 103 9.873 -13.706 -7.276 1.00 12.42 H new ATOM 0 HA LEU A 103 10.168 -11.076 -6.014 1.00 64.45 H new ATOM 0 HB2 LEU A 103 9.297 -12.549 -4.217 1.00 72.31 H new ATOM 0 HB3 LEU A 103 10.597 -13.684 -4.521 1.00 72.31 H new ATOM 0 HG LEU A 103 10.812 -12.122 -2.516 1.00 33.24 H new ATOM 0 HD11 LEU A 103 13.246 -11.847 -2.785 1.00 4.54 H new ATOM 0 HD12 LEU A 103 12.686 -13.454 -3.304 1.00 4.54 H new ATOM 0 HD13 LEU A 103 13.087 -12.217 -4.518 1.00 4.54 H new ATOM 0 HD21 LEU A 103 11.790 -9.884 -2.971 1.00 52.54 H new ATOM 0 HD22 LEU A 103 11.523 -10.137 -4.713 1.00 52.54 H new ATOM 0 HD23 LEU A 103 10.134 -10.033 -3.605 1.00 52.54 H new ATOM 1705 N GLU A 104 12.357 -11.230 -7.148 1.00 52.15 N ATOM 1706 CA GLU A 104 13.713 -11.255 -7.673 1.00 53.43 C ATOM 1707 C GLU A 104 14.641 -10.509 -6.721 1.00 65.34 C ATOM 1708 O GLU A 104 14.745 -9.280 -6.760 1.00 21.01 O ATOM 1709 CB GLU A 104 13.760 -10.653 -9.089 1.00 2.24 C ATOM 1710 CG GLU A 104 15.009 -11.033 -9.898 1.00 74.33 C ATOM 1711 CD GLU A 104 16.288 -10.368 -9.407 1.00 0.22 C ATOM 1712 OE1 GLU A 104 16.567 -9.227 -9.836 1.00 54.14 O ATOM 1713 OE2 GLU A 104 17.024 -10.977 -8.599 1.00 52.23 O ATOM 0 H GLU A 104 11.872 -10.341 -7.267 1.00 52.15 H new ATOM 0 HA GLU A 104 14.051 -12.289 -7.749 1.00 53.43 H new ATOM 0 HB2 GLU A 104 12.875 -10.975 -9.637 1.00 2.24 H new ATOM 0 HB3 GLU A 104 13.709 -9.567 -9.011 1.00 2.24 H new ATOM 0 HG2 GLU A 104 15.137 -12.115 -9.863 1.00 74.33 H new ATOM 0 HG3 GLU A 104 14.849 -10.764 -10.942 1.00 74.33 H new ATOM 1720 N HIS A 105 15.275 -11.261 -5.835 1.00 34.12 N ATOM 1721 CA HIS A 105 16.284 -10.722 -4.935 1.00 52.10 C ATOM 1722 C HIS A 105 17.514 -11.613 -4.993 1.00 0.30 C ATOM 1723 O HIS A 105 17.504 -12.735 -4.480 1.00 33.41 O ATOM 1724 CB HIS A 105 15.748 -10.624 -3.499 1.00 53.51 C ATOM 1725 CG HIS A 105 16.728 -10.035 -2.526 1.00 23.13 C ATOM 1726 ND1 HIS A 105 17.074 -8.700 -2.526 1.00 34.51 N ATOM 1727 CD2 HIS A 105 17.434 -10.603 -1.518 1.00 52.53 C ATOM 1728 CE1 HIS A 105 17.949 -8.473 -1.563 1.00 35.10 C ATOM 1729 NE2 HIS A 105 18.182 -9.609 -0.939 1.00 72.03 N ATOM 0 H HIS A 105 15.106 -12.260 -5.719 1.00 34.12 H new ATOM 0 HA HIS A 105 16.547 -9.712 -5.250 1.00 52.10 H new ATOM 0 HB2 HIS A 105 14.842 -10.018 -3.500 1.00 53.51 H new ATOM 0 HB3 HIS A 105 15.465 -11.620 -3.158 1.00 53.51 H new ATOM 0 HD2 HIS A 105 17.412 -11.642 -1.226 1.00 52.53 H new ATOM 0 HE1 HIS A 105 18.397 -7.519 -1.328 1.00 35.10 H new ATOM 0 HE2 HIS A 105 18.818 -9.731 -0.151 1.00 72.03 H new ATOM 1738 N HIS A 106 18.556 -11.116 -5.644 1.00 72.31 N ATOM 1739 CA HIS A 106 19.764 -11.892 -5.895 1.00 1.30 C ATOM 1740 C HIS A 106 20.538 -12.139 -4.602 1.00 50.33 C ATOM 1741 O HIS A 106 21.471 -11.403 -4.277 1.00 4.33 O ATOM 1742 CB HIS A 106 20.652 -11.163 -6.917 1.00 4.40 C ATOM 1743 CG HIS A 106 21.827 -11.964 -7.399 1.00 42.11 C ATOM 1744 ND1 HIS A 106 21.876 -12.541 -8.649 1.00 3.15 N ATOM 1745 CD2 HIS A 106 23.007 -12.269 -6.805 1.00 1.15 C ATOM 1746 CE1 HIS A 106 23.028 -13.159 -8.802 1.00 11.03 C ATOM 1747 NE2 HIS A 106 23.730 -13.010 -7.701 1.00 62.34 N ATOM 0 H HIS A 106 18.589 -10.166 -6.013 1.00 72.31 H new ATOM 0 HA HIS A 106 19.471 -12.860 -6.301 1.00 1.30 H new ATOM 0 HB2 HIS A 106 20.042 -10.882 -7.776 1.00 4.40 H new ATOM 0 HB3 HIS A 106 21.017 -10.238 -6.469 1.00 4.40 H new ATOM 0 HD2 HIS A 106 23.318 -11.981 -5.812 1.00 1.15 H new ATOM 0 HE1 HIS A 106 23.343 -13.698 -9.683 1.00 11.03 H new ATOM 0 HE2 HIS A 106 24.664 -13.386 -7.540 1.00 62.34 H new ATOM 1756 N HIS A 107 20.127 -13.154 -3.851 1.00 75.04 N ATOM 1757 CA HIS A 107 20.837 -13.544 -2.635 1.00 64.04 C ATOM 1758 C HIS A 107 21.978 -14.486 -2.998 1.00 72.43 C ATOM 1759 O HIS A 107 21.745 -15.659 -3.302 1.00 30.31 O ATOM 1760 CB HIS A 107 19.885 -14.224 -1.632 1.00 72.44 C ATOM 1761 CG HIS A 107 20.549 -14.653 -0.346 1.00 13.32 C ATOM 1762 ND1 HIS A 107 20.410 -13.966 0.842 1.00 23.24 N ATOM 1763 CD2 HIS A 107 21.351 -15.714 -0.064 1.00 10.33 C ATOM 1764 CE1 HIS A 107 21.095 -14.580 1.789 1.00 32.15 C ATOM 1765 NE2 HIS A 107 21.673 -15.644 1.268 1.00 45.24 N ATOM 0 H HIS A 107 19.307 -13.723 -4.061 1.00 75.04 H new ATOM 0 HA HIS A 107 21.238 -12.648 -2.161 1.00 64.04 H new ATOM 0 HB2 HIS A 107 19.071 -13.538 -1.397 1.00 72.44 H new ATOM 0 HB3 HIS A 107 19.438 -15.098 -2.107 1.00 72.44 H new ATOM 0 HD2 HIS A 107 21.675 -16.473 -0.761 1.00 10.33 H new ATOM 0 HE1 HIS A 107 21.169 -14.263 2.819 1.00 32.15 H new ATOM 0 HE2 HIS A 107 22.263 -16.306 1.772 1.00 45.24 H new ATOM 1774 N HIS A 108 23.201 -13.966 -2.990 1.00 1.34 N ATOM 1775 CA HIS A 108 24.375 -14.766 -3.320 1.00 44.00 C ATOM 1776 C HIS A 108 24.600 -15.845 -2.262 1.00 71.44 C ATOM 1777 O HIS A 108 25.273 -15.618 -1.253 1.00 53.32 O ATOM 1778 CB HIS A 108 25.624 -13.883 -3.457 1.00 72.03 C ATOM 1779 CG HIS A 108 26.882 -14.659 -3.713 1.00 44.41 C ATOM 1780 ND1 HIS A 108 27.897 -14.772 -2.787 1.00 51.52 N ATOM 1781 CD2 HIS A 108 27.285 -15.364 -4.796 1.00 41.14 C ATOM 1782 CE1 HIS A 108 28.867 -15.513 -3.288 1.00 3.44 C ATOM 1783 NE2 HIS A 108 28.521 -15.888 -4.505 1.00 24.44 N ATOM 0 H HIS A 108 23.405 -12.994 -2.759 1.00 1.34 H new ATOM 0 HA HIS A 108 24.195 -15.249 -4.280 1.00 44.00 H new ATOM 0 HB2 HIS A 108 25.471 -13.176 -4.272 1.00 72.03 H new ATOM 0 HB3 HIS A 108 25.747 -13.298 -2.546 1.00 72.03 H new ATOM 0 HD2 HIS A 108 26.737 -15.491 -5.718 1.00 41.14 H new ATOM 0 HE1 HIS A 108 29.789 -15.769 -2.787 1.00 3.44 H new ATOM 0 HE2 HIS A 108 29.080 -16.471 -5.128 1.00 24.44 H new ATOM 1792 N HIS A 109 24.003 -17.005 -2.492 1.00 72.54 N ATOM 1793 CA HIS A 109 24.141 -18.146 -1.589 1.00 54.41 C ATOM 1794 C HIS A 109 25.414 -18.921 -1.913 1.00 12.35 C ATOM 1795 O HIS A 109 26.044 -18.686 -2.948 1.00 34.33 O ATOM 1796 CB HIS A 109 22.926 -19.080 -1.706 1.00 10.43 C ATOM 1797 CG HIS A 109 22.734 -19.657 -3.079 1.00 4.40 C ATOM 1798 ND1 HIS A 109 23.456 -20.731 -3.559 1.00 64.33 N ATOM 1799 CD2 HIS A 109 21.896 -19.298 -4.081 1.00 2.02 C ATOM 1800 CE1 HIS A 109 23.076 -20.999 -4.792 1.00 74.02 C ATOM 1801 NE2 HIS A 109 22.130 -20.145 -5.134 1.00 70.50 N ATOM 0 H HIS A 109 23.412 -17.185 -3.304 1.00 72.54 H new ATOM 0 HA HIS A 109 24.198 -17.768 -0.568 1.00 54.41 H new ATOM 0 HB2 HIS A 109 23.037 -19.896 -0.992 1.00 10.43 H new ATOM 0 HB3 HIS A 109 22.028 -18.530 -1.425 1.00 10.43 H new ATOM 0 HD1 HIS A 109 24.173 -21.238 -3.040 1.00 64.33 H new ATOM 0 HD2 HIS A 109 21.176 -18.493 -4.055 1.00 2.02 H new ATOM 0 HE1 HIS A 109 23.472 -21.785 -5.417 1.00 74.02 H new ATOM 1810 N HIS A 110 25.784 -19.851 -1.036 1.00 62.13 N ATOM 1811 CA HIS A 110 26.933 -20.722 -1.280 1.00 32.22 C ATOM 1812 C HIS A 110 26.447 -22.087 -1.784 1.00 63.24 C ATOM 1813 O HIS A 110 26.573 -23.092 -1.060 1.00 38.04 O ATOM 1814 CB HIS A 110 27.821 -20.841 -0.015 1.00 12.02 C ATOM 1815 CG HIS A 110 27.097 -21.203 1.257 1.00 60.11 C ATOM 1816 ND1 HIS A 110 26.662 -20.265 2.169 1.00 53.22 N ATOM 1817 CD2 HIS A 110 26.774 -22.409 1.787 1.00 44.52 C ATOM 1818 CE1 HIS A 110 26.105 -20.875 3.198 1.00 11.24 C ATOM 1819 NE2 HIS A 110 26.159 -22.177 2.992 1.00 43.14 N ATOM 1820 OXT HIS A 110 25.891 -22.132 -2.903 1.00 38.04 O ATOM 0 H HIS A 110 25.306 -20.021 -0.151 1.00 62.13 H new ATOM 0 HA HIS A 110 27.561 -20.283 -2.055 1.00 32.22 H new ATOM 0 HB2 HIS A 110 28.589 -21.592 -0.201 1.00 12.02 H new ATOM 0 HB3 HIS A 110 28.334 -19.891 0.138 1.00 12.02 H new ATOM 0 HD2 HIS A 110 26.966 -23.374 1.343 1.00 44.52 H new ATOM 0 HE1 HIS A 110 25.677 -20.390 4.063 1.00 11.24 H new ATOM 0 HE2 HIS A 110 25.802 -22.894 3.624 1.00 43.14 H new TER 1829 HIS A 110