USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.428 K(o=0.43,f=-6.6!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 1.23 USER MOD Set 2.2: A 67 SER OG : rot 96:sc= 1.23 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 144:sc= 2.43 (180deg=-0.0849) USER MOD Set 3.2: A 91 SER OG : rot 110:sc= 2.27 USER MOD Set 4.1: A 13 GLN : amide:sc= 2.66 K(o=4.4,f=-4.1!) USER MOD Set 4.2: A 36 ASN : amide:sc= 1.78 K(o=4.4,f=-4.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0793 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.74 K(o=1.7,f=-7.1!) USER MOD Single : A 4 TYR OH : rot -173:sc= 1.27 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.049) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.834 (180deg=0.81) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.14) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.605 K(o=0.6,f=-0.1) USER MOD Single : A 55 SER OG : rot 79:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.11) USER MOD Single : A 62 ASN : amide:sc= 0.839 K(o=0.84,f=-0.0019) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 8:sc= 0.605 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.291 K(o=0.29,f=-1.4) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.213 -0.402 -0.522 1.00 0.00 N ATOM 2 CA MET A 1 1.044 -0.171 -1.280 1.00 0.00 C ATOM 3 C MET A 1 1.730 -1.509 -1.589 1.00 0.00 C ATOM 4 O MET A 1 1.457 -2.522 -0.940 1.00 0.00 O ATOM 5 CB MET A 1 2.012 0.783 -0.545 1.00 0.00 C ATOM 6 CG MET A 1 1.472 2.207 -0.355 1.00 0.00 C ATOM 7 SD MET A 1 0.974 3.042 -1.888 1.00 0.00 S ATOM 8 CE MET A 1 0.523 4.669 -1.228 1.00 0.00 C ATOM 0 H1 MET A 1 -1.027 -0.118 -1.104 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.294 -1.411 -0.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.200 0.161 0.352 1.00 0.00 H new ATOM 0 HA MET A 1 0.773 0.318 -2.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.246 0.362 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.947 0.833 -1.102 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.614 2.169 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.236 2.808 0.138 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.191 5.313 -2.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.283 4.557 -0.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.389 5.117 -0.741 1.00 0.00 H new ATOM 20 N LEU A 2 2.624 -1.525 -2.583 1.00 0.00 N ATOM 21 CA LEU A 2 3.340 -2.703 -3.071 1.00 0.00 C ATOM 22 C LEU A 2 4.795 -2.296 -3.350 1.00 0.00 C ATOM 23 O LEU A 2 5.134 -1.111 -3.289 1.00 0.00 O ATOM 24 CB LEU A 2 2.589 -3.229 -4.316 1.00 0.00 C ATOM 25 CG LEU A 2 3.120 -4.521 -4.973 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.144 -5.705 -3.997 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.244 -4.868 -6.181 1.00 0.00 C ATOM 0 H LEU A 2 2.878 -0.678 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 2 3.371 -3.515 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.549 -3.396 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.593 -2.442 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 2 4.148 -4.337 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.525 -6.590 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.790 -5.467 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.134 -5.901 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.615 -5.780 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.216 -5.020 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.278 -4.051 -6.902 1.00 0.00 H new ATOM 39 N GLN A 3 5.659 -3.272 -3.626 1.00 0.00 N ATOM 40 CA GLN A 3 7.096 -3.131 -3.810 1.00 0.00 C ATOM 41 C GLN A 3 7.526 -4.197 -4.824 1.00 0.00 C ATOM 42 O GLN A 3 6.936 -5.281 -4.869 1.00 0.00 O ATOM 43 CB GLN A 3 7.738 -3.334 -2.424 1.00 0.00 C ATOM 44 CG GLN A 3 9.264 -3.534 -2.316 1.00 0.00 C ATOM 45 CD GLN A 3 9.629 -4.133 -0.948 1.00 0.00 C ATOM 46 OE1 GLN A 3 8.933 -5.002 -0.429 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.692 -3.711 -0.292 1.00 0.00 N ATOM 0 H GLN A 3 5.352 -4.239 -3.733 1.00 0.00 H new ATOM 0 HA GLN A 3 7.402 -2.158 -4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.478 -2.469 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.262 -4.201 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.608 -4.193 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.773 -2.579 -2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.289 -2.990 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.917 -4.105 0.621 1.00 0.00 H new ATOM 56 N TYR A 4 8.559 -3.922 -5.620 1.00 0.00 N ATOM 57 CA TYR A 4 9.243 -4.936 -6.415 1.00 0.00 C ATOM 58 C TYR A 4 10.733 -4.628 -6.530 1.00 0.00 C ATOM 59 O TYR A 4 11.175 -3.505 -6.269 1.00 0.00 O ATOM 60 CB TYR A 4 8.580 -5.142 -7.796 1.00 0.00 C ATOM 61 CG TYR A 4 8.301 -3.950 -8.699 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.270 -2.957 -8.964 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.070 -3.912 -9.386 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.006 -1.938 -9.895 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.806 -2.906 -10.326 1.00 0.00 C ATOM 66 CZ TYR A 4 7.776 -1.915 -10.586 1.00 0.00 C ATOM 67 OH TYR A 4 7.546 -0.952 -11.514 1.00 0.00 O ATOM 0 H TYR A 4 8.945 -2.984 -5.730 1.00 0.00 H new ATOM 0 HA TYR A 4 9.145 -5.885 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.211 -5.831 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.629 -5.647 -7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.219 -2.981 -8.448 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.323 -4.666 -9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.745 -1.172 -10.082 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.862 -2.890 -10.850 1.00 0.00 H new ATOM 0 HH TYR A 4 6.616 -1.007 -11.819 1.00 0.00 H new ATOM 77 N ARG A 5 11.489 -5.622 -6.992 1.00 0.00 N ATOM 78 CA ARG A 5 12.843 -5.485 -7.506 1.00 0.00 C ATOM 79 C ARG A 5 12.790 -5.982 -8.946 1.00 0.00 C ATOM 80 O ARG A 5 12.096 -6.963 -9.230 1.00 0.00 O ATOM 81 CB ARG A 5 13.802 -6.312 -6.636 1.00 0.00 C ATOM 82 CG ARG A 5 15.289 -6.061 -6.946 1.00 0.00 C ATOM 83 CD ARG A 5 16.186 -7.066 -6.208 1.00 0.00 C ATOM 84 NE ARG A 5 16.019 -7.011 -4.742 1.00 0.00 N ATOM 85 CZ ARG A 5 16.827 -6.416 -3.852 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.926 -5.767 -4.227 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.519 -6.476 -2.560 1.00 0.00 N ATOM 0 H ARG A 5 11.156 -6.586 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 5 13.209 -4.458 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.615 -6.084 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.584 -7.371 -6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.458 -6.139 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.558 -5.046 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.960 -8.073 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.228 -6.868 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 5 15.196 -7.479 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.174 -5.712 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.521 -5.324 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.679 -6.969 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.123 -6.029 -1.870 1.00 0.00 H new ATOM 101 N ILE A 6 13.491 -5.311 -9.853 1.00 0.00 N ATOM 102 CA ILE A 6 13.535 -5.642 -11.271 1.00 0.00 C ATOM 103 C ILE A 6 15.007 -5.602 -11.675 1.00 0.00 C ATOM 104 O ILE A 6 15.733 -4.699 -11.262 1.00 0.00 O ATOM 105 CB ILE A 6 12.644 -4.671 -12.092 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.175 -4.803 -11.637 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.753 -4.949 -13.603 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.143 -3.960 -12.389 1.00 0.00 C ATOM 0 H ILE A 6 14.060 -4.499 -9.614 1.00 0.00 H new ATOM 0 HA ILE A 6 13.129 -6.633 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 6 12.994 -3.655 -11.912 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.886 -5.850 -11.722 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.122 -4.542 -10.580 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.117 -4.252 -14.148 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.787 -4.822 -13.923 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.432 -5.970 -13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.152 -4.143 -11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.390 -2.904 -12.285 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.151 -4.232 -13.445 1.00 0.00 H new ATOM 120 N ILE A 7 15.438 -6.549 -12.502 1.00 0.00 N ATOM 121 CA ILE A 7 16.752 -6.590 -13.127 1.00 0.00 C ATOM 122 C ILE A 7 16.491 -6.452 -14.629 1.00 0.00 C ATOM 123 O ILE A 7 15.501 -6.990 -15.135 1.00 0.00 O ATOM 124 CB ILE A 7 17.491 -7.906 -12.774 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.499 -8.247 -11.264 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.925 -7.903 -13.330 1.00 0.00 C ATOM 127 CD1 ILE A 7 18.165 -7.207 -10.357 1.00 0.00 C ATOM 0 H ILE A 7 14.854 -7.343 -12.765 1.00 0.00 H new ATOM 0 HA ILE A 7 17.404 -5.791 -12.773 1.00 0.00 H new ATOM 0 HB ILE A 7 16.915 -8.695 -13.257 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.469 -8.384 -10.935 1.00 0.00 H new ATOM 0 HG13 ILE A 7 18.007 -9.202 -11.127 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.419 -8.838 -13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.894 -7.801 -14.415 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.479 -7.067 -12.903 1.00 0.00 H new ATOM 0 HD11 ILE A 7 18.116 -7.543 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.208 -7.083 -10.650 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.646 -6.254 -10.454 1.00 0.00 H new ATOM 139 N VAL A 8 17.360 -5.737 -15.339 1.00 0.00 N ATOM 140 CA VAL A 8 17.201 -5.426 -16.753 1.00 0.00 C ATOM 141 C VAL A 8 18.572 -5.600 -17.406 1.00 0.00 C ATOM 142 O VAL A 8 19.590 -5.199 -16.834 1.00 0.00 O ATOM 143 CB VAL A 8 16.652 -3.989 -16.933 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.169 -3.776 -18.372 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.468 -3.658 -16.011 1.00 0.00 C ATOM 0 H VAL A 8 18.213 -5.350 -14.936 1.00 0.00 H new ATOM 0 HA VAL A 8 16.479 -6.091 -17.227 1.00 0.00 H new ATOM 0 HB VAL A 8 17.486 -3.335 -16.679 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.786 -2.761 -18.481 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.000 -3.926 -19.061 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.376 -4.489 -18.599 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.139 -2.635 -16.195 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.647 -4.346 -16.212 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.778 -3.758 -14.971 1.00 0.00 H new ATOM 155 N ASP A 9 18.600 -6.191 -18.598 1.00 0.00 N ATOM 156 CA ASP A 9 19.814 -6.517 -19.337 1.00 0.00 C ATOM 157 C ASP A 9 19.593 -6.244 -20.826 1.00 0.00 C ATOM 158 O ASP A 9 18.454 -6.248 -21.303 1.00 0.00 O ATOM 159 CB ASP A 9 20.175 -7.988 -19.104 1.00 0.00 C ATOM 160 CG ASP A 9 21.439 -8.386 -19.877 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.419 -7.609 -19.845 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.462 -9.476 -20.491 1.00 0.00 O ATOM 0 H ASP A 9 17.750 -6.464 -19.091 1.00 0.00 H new ATOM 0 HA ASP A 9 20.639 -5.896 -18.987 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.329 -8.162 -18.039 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.344 -8.621 -19.413 1.00 0.00 H new ATOM 167 N GLY A 10 20.676 -5.971 -21.551 1.00 0.00 N ATOM 168 CA GLY A 10 20.677 -5.542 -22.941 1.00 0.00 C ATOM 169 C GLY A 10 21.665 -4.394 -23.111 1.00 0.00 C ATOM 170 O GLY A 10 22.553 -4.202 -22.272 1.00 0.00 O ATOM 0 H GLY A 10 21.617 -6.047 -21.165 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.952 -6.373 -23.590 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.677 -5.224 -23.236 1.00 0.00 H new ATOM 174 N ARG A 11 21.501 -3.588 -24.163 1.00 0.00 N ATOM 175 CA ARG A 11 22.148 -2.279 -24.240 1.00 0.00 C ATOM 176 C ARG A 11 21.383 -1.351 -23.301 1.00 0.00 C ATOM 177 O ARG A 11 20.514 -0.601 -23.742 1.00 0.00 O ATOM 178 CB ARG A 11 22.211 -1.776 -25.696 1.00 0.00 C ATOM 179 CG ARG A 11 22.889 -0.399 -25.872 1.00 0.00 C ATOM 180 CD ARG A 11 24.252 -0.248 -25.178 1.00 0.00 C ATOM 181 NE ARG A 11 25.222 -1.265 -25.626 1.00 0.00 N ATOM 182 CZ ARG A 11 26.283 -1.708 -24.938 1.00 0.00 C ATOM 183 NH1 ARG A 11 26.558 -1.246 -23.720 1.00 0.00 N ATOM 184 NH2 ARG A 11 27.073 -2.630 -25.479 1.00 0.00 N ATOM 0 H ARG A 11 20.925 -3.820 -24.972 1.00 0.00 H new ATOM 0 HA ARG A 11 23.189 -2.324 -23.921 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.748 -2.510 -26.297 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.197 -1.720 -26.091 1.00 0.00 H new ATOM 0 HG2 ARG A 11 23.019 -0.209 -26.937 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.218 0.370 -25.490 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.652 0.746 -25.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.119 -0.326 -24.099 1.00 0.00 H new ATOM 0 HE ARG A 11 25.070 -1.671 -26.550 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.956 -0.542 -23.294 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.371 -1.597 -23.213 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.869 -2.994 -26.410 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.883 -2.974 -24.963 1.00 0.00 H new ATOM 198 N VAL A 12 21.669 -1.449 -22.005 1.00 0.00 N ATOM 199 CA VAL A 12 21.005 -0.681 -20.952 1.00 0.00 C ATOM 200 C VAL A 12 22.026 -0.010 -20.020 1.00 0.00 C ATOM 201 O VAL A 12 21.635 0.674 -19.078 1.00 0.00 O ATOM 202 CB VAL A 12 19.979 -1.565 -20.207 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.849 -2.020 -21.144 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.603 -2.802 -19.542 1.00 0.00 C ATOM 0 H VAL A 12 22.387 -2.080 -21.648 1.00 0.00 H new ATOM 0 HA VAL A 12 20.443 0.135 -21.407 1.00 0.00 H new ATOM 0 HB VAL A 12 19.578 -0.931 -19.417 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.144 -2.640 -20.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.331 -1.147 -21.540 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.269 -2.597 -21.968 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.825 -3.376 -19.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.077 -3.423 -20.302 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.350 -2.486 -18.814 1.00 0.00 H new ATOM 214 N GLN A 13 23.327 -0.154 -20.299 1.00 0.00 N ATOM 215 CA GLN A 13 24.401 0.646 -19.717 1.00 0.00 C ATOM 216 C GLN A 13 25.323 1.069 -20.864 1.00 0.00 C ATOM 217 O GLN A 13 25.231 0.525 -21.971 1.00 0.00 O ATOM 218 CB GLN A 13 25.154 -0.120 -18.613 1.00 0.00 C ATOM 219 CG GLN A 13 24.235 -0.518 -17.448 1.00 0.00 C ATOM 220 CD GLN A 13 24.987 -0.640 -16.127 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.131 0.340 -15.398 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.466 -1.819 -15.773 1.00 0.00 N ATOM 0 H GLN A 13 23.668 -0.854 -20.958 1.00 0.00 H new ATOM 0 HA GLN A 13 23.993 1.528 -19.223 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.605 -1.016 -19.039 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.968 0.499 -18.235 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.443 0.224 -17.344 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.754 -1.469 -17.678 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.341 -2.625 -16.385 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.961 -1.923 -14.887 1.00 0.00 H new ATOM 231 N GLY A 14 26.162 2.081 -20.634 1.00 0.00 N ATOM 232 CA GLY A 14 26.787 2.836 -21.720 1.00 0.00 C ATOM 233 C GLY A 14 25.772 3.737 -22.444 1.00 0.00 C ATOM 234 O GLY A 14 26.073 4.265 -23.515 1.00 0.00 O ATOM 0 H GLY A 14 26.425 2.397 -19.700 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.596 3.447 -21.320 1.00 0.00 H new ATOM 0 HA3 GLY A 14 27.234 2.144 -22.434 1.00 0.00 H new ATOM 238 N VAL A 15 24.579 3.908 -21.866 1.00 0.00 N ATOM 239 CA VAL A 15 23.451 4.701 -22.342 1.00 0.00 C ATOM 240 C VAL A 15 22.771 5.273 -21.088 1.00 0.00 C ATOM 241 O VAL A 15 22.956 4.741 -19.988 1.00 0.00 O ATOM 242 CB VAL A 15 22.485 3.836 -23.195 1.00 0.00 C ATOM 243 CG1 VAL A 15 23.088 3.503 -24.568 1.00 0.00 C ATOM 244 CG2 VAL A 15 22.074 2.513 -22.524 1.00 0.00 C ATOM 0 H VAL A 15 24.364 3.455 -20.978 1.00 0.00 H new ATOM 0 HA VAL A 15 23.774 5.509 -22.999 1.00 0.00 H new ATOM 0 HB VAL A 15 21.594 4.454 -23.304 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.384 2.896 -25.137 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.292 4.427 -25.110 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.017 2.949 -24.433 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.399 1.966 -23.182 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.962 1.911 -22.333 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.569 2.725 -21.581 1.00 0.00 H new ATOM 254 N GLY A 16 21.977 6.338 -21.227 1.00 0.00 N ATOM 255 CA GLY A 16 21.427 7.103 -20.105 1.00 0.00 C ATOM 256 C GLY A 16 20.259 6.426 -19.381 1.00 0.00 C ATOM 257 O GLY A 16 19.472 7.112 -18.724 1.00 0.00 O ATOM 0 H GLY A 16 21.694 6.699 -22.138 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.224 7.290 -19.385 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.095 8.074 -20.473 1.00 0.00 H new ATOM 261 N PHE A 17 20.105 5.104 -19.501 1.00 0.00 N ATOM 262 CA PHE A 17 18.946 4.381 -18.993 1.00 0.00 C ATOM 263 C PHE A 17 18.768 4.548 -17.483 1.00 0.00 C ATOM 264 O PHE A 17 17.636 4.637 -17.016 1.00 0.00 O ATOM 265 CB PHE A 17 19.053 2.895 -19.355 1.00 0.00 C ATOM 266 CG PHE A 17 17.792 2.096 -19.078 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.555 2.534 -19.587 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.845 0.926 -18.296 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.380 1.820 -19.305 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.676 0.184 -18.053 1.00 0.00 C ATOM 271 CZ PHE A 17 15.442 0.627 -18.562 1.00 0.00 C ATOM 0 H PHE A 17 20.791 4.504 -19.959 1.00 0.00 H new ATOM 0 HA PHE A 17 18.063 4.810 -19.467 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.301 2.807 -20.413 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.879 2.455 -18.796 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.510 3.424 -20.197 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.787 0.598 -17.882 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.428 2.187 -19.659 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.726 -0.727 -17.475 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.545 0.053 -18.383 1.00 0.00 H new ATOM 281 N ARG A 18 19.864 4.655 -16.719 1.00 0.00 N ATOM 282 CA ARG A 18 19.814 4.907 -15.275 1.00 0.00 C ATOM 283 C ARG A 18 18.935 6.130 -14.985 1.00 0.00 C ATOM 284 O ARG A 18 18.049 6.073 -14.131 1.00 0.00 O ATOM 285 CB ARG A 18 21.255 5.105 -14.759 1.00 0.00 C ATOM 286 CG ARG A 18 21.374 5.172 -13.228 1.00 0.00 C ATOM 287 CD ARG A 18 21.578 3.804 -12.552 1.00 0.00 C ATOM 288 NE ARG A 18 22.995 3.556 -12.218 1.00 0.00 N ATOM 289 CZ ARG A 18 23.898 2.900 -12.957 1.00 0.00 C ATOM 290 NH1 ARG A 18 23.544 2.246 -14.060 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.165 2.890 -12.563 1.00 0.00 N ATOM 0 H ARG A 18 20.811 4.569 -17.087 1.00 0.00 H new ATOM 0 HA ARG A 18 19.370 4.058 -14.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.875 4.287 -15.125 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.658 6.025 -15.184 1.00 0.00 H new ATOM 0 HG2 ARG A 18 22.209 5.822 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.473 5.634 -12.824 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.978 3.756 -11.643 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.218 3.016 -13.214 1.00 0.00 H new ATOM 0 HE ARG A 18 23.322 3.926 -11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.568 2.238 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.248 1.753 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.437 3.377 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.866 2.395 -13.114 1.00 0.00 H new ATOM 305 N TYR A 19 19.153 7.220 -15.722 1.00 0.00 N ATOM 306 CA TYR A 19 18.399 8.450 -15.548 1.00 0.00 C ATOM 307 C TYR A 19 16.973 8.273 -16.067 1.00 0.00 C ATOM 308 O TYR A 19 16.045 8.736 -15.409 1.00 0.00 O ATOM 309 CB TYR A 19 19.106 9.609 -16.262 1.00 0.00 C ATOM 310 CG TYR A 19 20.554 9.788 -15.838 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.856 10.265 -14.548 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.597 9.440 -16.718 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.194 10.391 -14.134 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.939 9.563 -16.312 1.00 0.00 C ATOM 315 CZ TYR A 19 23.243 10.039 -15.015 1.00 0.00 C ATOM 316 OH TYR A 19 24.537 10.165 -14.603 1.00 0.00 O ATOM 0 H TYR A 19 19.860 7.269 -16.456 1.00 0.00 H new ATOM 0 HA TYR A 19 18.346 8.687 -14.486 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.069 9.439 -17.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.561 10.533 -16.066 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.057 10.535 -13.874 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.366 9.077 -17.709 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.421 10.757 -13.143 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.736 9.294 -16.990 1.00 0.00 H new ATOM 0 HH TYR A 19 25.139 9.882 -15.323 1.00 0.00 H new ATOM 326 N PHE A 20 16.777 7.577 -17.197 1.00 0.00 N ATOM 327 CA PHE A 20 15.443 7.329 -17.745 1.00 0.00 C ATOM 328 C PHE A 20 14.559 6.641 -16.706 1.00 0.00 C ATOM 329 O PHE A 20 13.466 7.121 -16.413 1.00 0.00 O ATOM 330 CB PHE A 20 15.512 6.482 -19.025 1.00 0.00 C ATOM 331 CG PHE A 20 14.169 6.311 -19.713 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.659 7.333 -20.537 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.435 5.121 -19.543 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.424 7.162 -21.190 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.208 4.946 -20.207 1.00 0.00 C ATOM 336 CZ PHE A 20 11.700 5.967 -21.028 1.00 0.00 C ATOM 0 H PHE A 20 17.534 7.175 -17.750 1.00 0.00 H new ATOM 0 HA PHE A 20 15.005 8.294 -18.002 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.211 6.946 -19.721 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.913 5.499 -18.779 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.216 8.249 -20.668 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.816 4.341 -18.901 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.032 7.949 -21.816 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.655 4.026 -20.086 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.755 5.834 -21.534 1.00 0.00 H new ATOM 346 N VAL A 21 15.050 5.554 -16.111 1.00 0.00 N ATOM 347 CA VAL A 21 14.333 4.797 -15.097 1.00 0.00 C ATOM 348 C VAL A 21 13.986 5.714 -13.920 1.00 0.00 C ATOM 349 O VAL A 21 12.830 5.739 -13.500 1.00 0.00 O ATOM 350 CB VAL A 21 15.190 3.582 -14.690 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.618 2.824 -13.491 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.309 2.573 -15.842 1.00 0.00 C ATOM 0 H VAL A 21 15.971 5.173 -16.326 1.00 0.00 H new ATOM 0 HA VAL A 21 13.387 4.416 -15.482 1.00 0.00 H new ATOM 0 HB VAL A 21 16.163 3.998 -14.427 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.265 1.980 -13.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.561 3.492 -12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.620 2.459 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.919 1.728 -15.524 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.316 2.219 -16.120 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.776 3.055 -16.701 1.00 0.00 H new ATOM 362 N GLN A 22 14.943 6.501 -13.411 1.00 0.00 N ATOM 363 CA GLN A 22 14.668 7.414 -12.311 1.00 0.00 C ATOM 364 C GLN A 22 13.563 8.408 -12.683 1.00 0.00 C ATOM 365 O GLN A 22 12.648 8.631 -11.893 1.00 0.00 O ATOM 366 CB GLN A 22 15.961 8.127 -11.875 1.00 0.00 C ATOM 367 CG GLN A 22 15.657 9.277 -10.893 1.00 0.00 C ATOM 368 CD GLN A 22 16.737 9.505 -9.849 1.00 0.00 C ATOM 369 OE1 GLN A 22 17.282 10.596 -9.706 1.00 0.00 O ATOM 370 NE2 GLN A 22 17.035 8.481 -9.071 1.00 0.00 N ATOM 0 H GLN A 22 15.906 6.519 -13.746 1.00 0.00 H new ATOM 0 HA GLN A 22 14.302 6.838 -11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 22 16.634 7.411 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.477 8.520 -12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.516 10.197 -11.460 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.715 9.068 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.569 7.584 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.731 8.587 -8.333 1.00 0.00 H new ATOM 379 N MET A 23 13.637 9.021 -13.861 1.00 0.00 N ATOM 380 CA MET A 23 12.709 10.076 -14.242 1.00 0.00 C ATOM 381 C MET A 23 11.312 9.503 -14.505 1.00 0.00 C ATOM 382 O MET A 23 10.317 10.148 -14.172 1.00 0.00 O ATOM 383 CB MET A 23 13.276 10.840 -15.444 1.00 0.00 C ATOM 384 CG MET A 23 14.539 11.612 -15.029 1.00 0.00 C ATOM 385 SD MET A 23 15.421 12.397 -16.406 1.00 0.00 S ATOM 386 CE MET A 23 16.796 13.142 -15.488 1.00 0.00 C ATOM 0 H MET A 23 14.336 8.802 -14.571 1.00 0.00 H new ATOM 0 HA MET A 23 12.596 10.785 -13.422 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.513 10.144 -16.249 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.528 11.532 -15.831 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.261 12.379 -14.307 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.218 10.928 -14.521 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.450 13.673 -16.180 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.404 13.842 -14.750 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.362 12.360 -14.982 1.00 0.00 H new ATOM 396 N GLU A 24 11.215 8.278 -15.026 1.00 0.00 N ATOM 397 CA GLU A 24 9.941 7.589 -15.183 1.00 0.00 C ATOM 398 C GLU A 24 9.349 7.222 -13.818 1.00 0.00 C ATOM 399 O GLU A 24 8.138 7.344 -13.631 1.00 0.00 O ATOM 400 CB GLU A 24 10.103 6.350 -16.081 1.00 0.00 C ATOM 401 CG GLU A 24 10.344 6.703 -17.559 1.00 0.00 C ATOM 402 CD GLU A 24 9.136 7.408 -18.193 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.214 6.727 -18.697 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.054 8.657 -18.145 1.00 0.00 O ATOM 0 H GLU A 24 12.019 7.740 -15.349 1.00 0.00 H new ATOM 0 HA GLU A 24 9.240 8.264 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.937 5.751 -15.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.208 5.732 -16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.220 7.346 -17.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.565 5.793 -18.117 1.00 0.00 H new ATOM 411 N ALA A 25 10.173 6.833 -12.840 1.00 0.00 N ATOM 412 CA ALA A 25 9.697 6.602 -11.483 1.00 0.00 C ATOM 413 C ALA A 25 9.197 7.908 -10.860 1.00 0.00 C ATOM 414 O ALA A 25 8.150 7.921 -10.212 1.00 0.00 O ATOM 415 CB ALA A 25 10.810 6.008 -10.622 1.00 0.00 C ATOM 0 H ALA A 25 11.172 6.673 -12.968 1.00 0.00 H new ATOM 0 HA ALA A 25 8.869 5.895 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.438 5.841 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.134 5.060 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.653 6.699 -10.589 1.00 0.00 H new ATOM 421 N ASP A 26 9.931 9.005 -11.064 1.00 0.00 N ATOM 422 CA ASP A 26 9.609 10.313 -10.501 1.00 0.00 C ATOM 423 C ASP A 26 8.315 10.872 -11.083 1.00 0.00 C ATOM 424 O ASP A 26 7.489 11.370 -10.323 1.00 0.00 O ATOM 425 CB ASP A 26 10.750 11.309 -10.724 1.00 0.00 C ATOM 426 CG ASP A 26 10.336 12.720 -10.269 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.091 12.928 -9.060 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.259 13.632 -11.121 1.00 0.00 O ATOM 0 H ASP A 26 10.777 9.006 -11.633 1.00 0.00 H new ATOM 0 HA ASP A 26 9.471 10.171 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.633 10.988 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.023 11.327 -11.779 1.00 0.00 H new ATOM 433 N LYS A 27 8.067 10.756 -12.394 1.00 0.00 N ATOM 434 CA LYS A 27 6.795 11.223 -12.951 1.00 0.00 C ATOM 435 C LYS A 27 5.618 10.363 -12.476 1.00 0.00 C ATOM 436 O LYS A 27 4.498 10.866 -12.397 1.00 0.00 O ATOM 437 CB LYS A 27 6.878 11.434 -14.476 1.00 0.00 C ATOM 438 CG LYS A 27 6.959 10.174 -15.351 1.00 0.00 C ATOM 439 CD LYS A 27 5.587 9.627 -15.779 1.00 0.00 C ATOM 440 CE LYS A 27 5.719 8.359 -16.637 1.00 0.00 C ATOM 441 NZ LYS A 27 6.293 8.628 -17.977 1.00 0.00 N ATOM 0 H LYS A 27 8.713 10.353 -13.073 1.00 0.00 H new ATOM 0 HA LYS A 27 6.589 12.216 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.004 12.007 -14.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.753 12.049 -14.686 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.544 10.399 -16.243 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.495 9.398 -14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.992 9.406 -14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.050 10.391 -16.341 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.348 7.637 -16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.737 7.901 -16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.375 7.736 -18.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.672 9.282 -18.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.235 9.055 -17.872 1.00 0.00 H new ATOM 455 N ARG A 28 5.852 9.094 -12.104 1.00 0.00 N ATOM 456 CA ARG A 28 4.861 8.258 -11.412 1.00 0.00 C ATOM 457 C ARG A 28 4.848 8.498 -9.890 1.00 0.00 C ATOM 458 O ARG A 28 4.038 7.880 -9.200 1.00 0.00 O ATOM 459 CB ARG A 28 5.121 6.766 -11.721 1.00 0.00 C ATOM 460 CG ARG A 28 4.876 6.320 -13.175 1.00 0.00 C ATOM 461 CD ARG A 28 3.533 6.736 -13.795 1.00 0.00 C ATOM 462 NE ARG A 28 2.365 6.375 -12.967 1.00 0.00 N ATOM 463 CZ ARG A 28 1.098 6.296 -13.405 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.814 6.447 -14.697 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.111 6.071 -12.543 1.00 0.00 N ATOM 0 H ARG A 28 6.738 8.618 -12.276 1.00 0.00 H new ATOM 0 HA ARG A 28 3.877 8.542 -11.786 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.155 6.538 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.489 6.165 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.678 6.719 -13.796 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.951 5.233 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.535 7.814 -13.956 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.433 6.267 -14.774 1.00 0.00 H new ATOM 0 HE ARG A 28 2.534 6.169 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.563 6.625 -15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.152 6.385 -15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.317 5.959 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.852 6.011 -12.874 1.00 0.00 H new ATOM 479 N LYS A 29 5.714 9.371 -9.356 1.00 0.00 N ATOM 480 CA LYS A 29 5.957 9.612 -7.928 1.00 0.00 C ATOM 481 C LYS A 29 6.055 8.317 -7.112 1.00 0.00 C ATOM 482 O LYS A 29 5.532 8.222 -6.000 1.00 0.00 O ATOM 483 CB LYS A 29 4.974 10.665 -7.368 1.00 0.00 C ATOM 484 CG LYS A 29 5.118 12.055 -8.019 1.00 0.00 C ATOM 485 CD LYS A 29 6.434 12.765 -7.650 1.00 0.00 C ATOM 486 CE LYS A 29 6.644 14.000 -8.535 1.00 0.00 C ATOM 487 NZ LYS A 29 7.978 14.611 -8.321 1.00 0.00 N ATOM 0 H LYS A 29 6.299 9.963 -9.946 1.00 0.00 H new ATOM 0 HA LYS A 29 6.949 10.052 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.954 10.310 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.130 10.759 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.061 11.949 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.278 12.680 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.413 13.061 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.271 12.077 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.537 13.719 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.869 14.736 -8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.014 15.539 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.145 14.732 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.712 13.992 -8.721 1.00 0.00 H new ATOM 501 N LEU A 30 6.745 7.318 -7.666 1.00 0.00 N ATOM 502 CA LEU A 30 7.227 6.160 -6.916 1.00 0.00 C ATOM 503 C LEU A 30 8.436 6.582 -6.072 1.00 0.00 C ATOM 504 O LEU A 30 9.001 7.659 -6.282 1.00 0.00 O ATOM 505 CB LEU A 30 7.615 5.035 -7.889 1.00 0.00 C ATOM 506 CG LEU A 30 6.433 4.476 -8.703 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.961 3.460 -9.709 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.373 3.802 -7.827 1.00 0.00 C ATOM 0 H LEU A 30 6.986 7.291 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 30 6.441 5.789 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.372 5.409 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.071 4.222 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 30 5.955 5.319 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.131 3.058 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.671 3.946 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.459 2.648 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.565 3.428 -8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.824 2.972 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.974 4.526 -7.117 1.00 0.00 H new ATOM 520 N ALA A 31 8.869 5.716 -5.152 1.00 0.00 N ATOM 521 CA ALA A 31 10.080 5.899 -4.355 1.00 0.00 C ATOM 522 C ALA A 31 10.902 4.609 -4.429 1.00 0.00 C ATOM 523 O ALA A 31 10.319 3.533 -4.582 1.00 0.00 O ATOM 524 CB ALA A 31 9.696 6.244 -2.913 1.00 0.00 C ATOM 0 H ALA A 31 8.375 4.850 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 31 10.682 6.722 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.599 6.380 -2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.112 7.164 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.103 5.433 -2.490 1.00 0.00 H new ATOM 530 N GLY A 32 12.234 4.698 -4.357 1.00 0.00 N ATOM 531 CA GLY A 32 13.088 3.544 -4.637 1.00 0.00 C ATOM 532 C GLY A 32 14.534 3.905 -4.968 1.00 0.00 C ATOM 533 O GLY A 32 15.017 4.976 -4.593 1.00 0.00 O ATOM 0 H GLY A 32 12.738 5.549 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.079 2.881 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.664 2.986 -5.472 1.00 0.00 H new ATOM 537 N TRP A 33 15.228 3.023 -5.688 1.00 0.00 N ATOM 538 CA TRP A 33 16.534 3.292 -6.272 1.00 0.00 C ATOM 539 C TRP A 33 16.669 2.631 -7.641 1.00 0.00 C ATOM 540 O TRP A 33 15.906 1.724 -7.994 1.00 0.00 O ATOM 541 CB TRP A 33 17.674 2.847 -5.337 1.00 0.00 C ATOM 542 CG TRP A 33 17.833 1.382 -5.022 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.026 0.373 -5.909 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.914 0.753 -3.703 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.189 -0.820 -5.238 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.169 -0.639 -3.876 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.827 1.221 -2.373 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.343 -1.517 -2.799 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.990 0.348 -1.279 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.251 -1.019 -1.489 1.00 0.00 C ATOM 0 H TRP A 33 14.886 2.082 -5.883 1.00 0.00 H new ATOM 0 HA TRP A 33 16.615 4.371 -6.404 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.611 3.193 -5.773 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.549 3.375 -4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.049 0.488 -6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.309 -1.724 -5.695 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.632 2.268 -2.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.545 -2.563 -2.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.914 0.731 -0.272 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.380 -1.682 -0.646 1.00 0.00 H new ATOM 561 N VAL A 34 17.707 3.031 -8.376 1.00 0.00 N ATOM 562 CA VAL A 34 18.164 2.368 -9.587 1.00 0.00 C ATOM 563 C VAL A 34 19.689 2.294 -9.501 1.00 0.00 C ATOM 564 O VAL A 34 20.331 3.257 -9.075 1.00 0.00 O ATOM 565 CB VAL A 34 17.621 3.113 -10.828 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.989 4.604 -10.896 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.053 2.403 -12.118 1.00 0.00 C ATOM 0 H VAL A 34 18.266 3.849 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 34 17.785 1.351 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 34 16.536 3.081 -10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.565 5.043 -11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.590 5.118 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 34 19.074 4.711 -10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.661 2.943 -12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.141 2.376 -12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.664 1.385 -12.120 1.00 0.00 H new ATOM 577 N LYS A 35 20.290 1.165 -9.877 1.00 0.00 N ATOM 578 CA LYS A 35 21.735 0.988 -9.817 1.00 0.00 C ATOM 579 C LYS A 35 22.266 0.048 -10.886 1.00 0.00 C ATOM 580 O LYS A 35 21.537 -0.788 -11.415 1.00 0.00 O ATOM 581 CB LYS A 35 22.153 0.536 -8.405 1.00 0.00 C ATOM 582 CG LYS A 35 21.619 -0.817 -7.888 1.00 0.00 C ATOM 583 CD LYS A 35 21.949 -0.922 -6.386 1.00 0.00 C ATOM 584 CE LYS A 35 21.595 -2.254 -5.704 1.00 0.00 C ATOM 585 NZ LYS A 35 22.455 -3.385 -6.128 1.00 0.00 N ATOM 0 H LYS A 35 19.787 0.351 -10.231 1.00 0.00 H new ATOM 0 HA LYS A 35 22.189 1.956 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.242 0.498 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.842 1.308 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.543 -0.887 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.076 -1.641 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.017 -0.744 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.427 -0.120 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.676 -2.132 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.555 -2.498 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.625 -4.015 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.981 -3.916 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.363 -3.018 -6.478 1.00 0.00 H new ATOM 599 N ASN A 36 23.565 0.163 -11.161 1.00 0.00 N ATOM 600 CA ASN A 36 24.342 -0.930 -11.736 1.00 0.00 C ATOM 601 C ASN A 36 24.351 -2.045 -10.697 1.00 0.00 C ATOM 602 O ASN A 36 24.655 -1.768 -9.536 1.00 0.00 O ATOM 603 CB ASN A 36 25.781 -0.454 -12.003 1.00 0.00 C ATOM 604 CG ASN A 36 26.745 -1.614 -12.225 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.762 -2.208 -13.296 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.566 -1.941 -11.241 1.00 0.00 N ATOM 0 H ASN A 36 24.104 1.012 -10.992 1.00 0.00 H new ATOM 0 HA ASN A 36 23.915 -1.272 -12.679 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.790 0.195 -12.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.125 0.145 -11.160 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.233 -2.703 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.533 -1.431 -10.358 1.00 0.00 H new ATOM 613 N ARG A 37 24.047 -3.281 -11.085 1.00 0.00 N ATOM 614 CA ARG A 37 24.279 -4.461 -10.253 1.00 0.00 C ATOM 615 C ARG A 37 25.712 -4.915 -10.519 1.00 0.00 C ATOM 616 O ARG A 37 26.189 -4.769 -11.640 1.00 0.00 O ATOM 617 CB ARG A 37 23.236 -5.538 -10.617 1.00 0.00 C ATOM 618 CG ARG A 37 23.481 -6.888 -9.925 1.00 0.00 C ATOM 619 CD ARG A 37 22.260 -7.817 -9.958 1.00 0.00 C ATOM 620 NE ARG A 37 21.363 -7.561 -8.815 1.00 0.00 N ATOM 621 CZ ARG A 37 20.678 -8.477 -8.118 1.00 0.00 C ATOM 622 NH1 ARG A 37 20.709 -9.764 -8.459 1.00 0.00 N ATOM 623 NH2 ARG A 37 19.953 -8.096 -7.073 1.00 0.00 N ATOM 0 H ARG A 37 23.630 -3.494 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 37 24.166 -4.256 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.243 -5.176 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.240 -5.686 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.322 -7.388 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 37 23.766 -6.711 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.715 -7.672 -10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.590 -8.856 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 37 21.253 -6.589 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.261 -10.066 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.181 -10.448 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.921 -7.112 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.428 -8.787 -6.537 1.00 0.00 H new ATOM 637 N ASP A 38 26.385 -5.504 -9.529 1.00 0.00 N ATOM 638 CA ASP A 38 27.796 -5.905 -9.631 1.00 0.00 C ATOM 639 C ASP A 38 28.083 -6.819 -10.833 1.00 0.00 C ATOM 640 O ASP A 38 29.156 -6.736 -11.431 1.00 0.00 O ATOM 641 CB ASP A 38 28.227 -6.598 -8.334 1.00 0.00 C ATOM 642 CG ASP A 38 29.684 -7.087 -8.413 1.00 0.00 C ATOM 643 OD1 ASP A 38 30.613 -6.250 -8.350 1.00 0.00 O ATOM 644 OD2 ASP A 38 29.909 -8.314 -8.502 1.00 0.00 O ATOM 0 H ASP A 38 25.966 -5.720 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 38 28.374 -4.994 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.119 -5.907 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.569 -7.444 -8.136 1.00 0.00 H new ATOM 649 N ASP A 39 27.114 -7.657 -11.220 1.00 0.00 N ATOM 650 CA ASP A 39 27.198 -8.538 -12.392 1.00 0.00 C ATOM 651 C ASP A 39 27.284 -7.772 -13.725 1.00 0.00 C ATOM 652 O ASP A 39 27.737 -8.325 -14.729 1.00 0.00 O ATOM 653 CB ASP A 39 25.976 -9.466 -12.410 1.00 0.00 C ATOM 654 CG ASP A 39 26.018 -10.434 -13.603 1.00 0.00 C ATOM 655 OD1 ASP A 39 26.710 -11.475 -13.519 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.336 -10.163 -14.615 1.00 0.00 O ATOM 0 H ASP A 39 26.231 -7.744 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 39 28.122 -9.109 -12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.936 -10.034 -11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.065 -8.869 -12.457 1.00 0.00 H new ATOM 661 N GLY A 40 26.852 -6.508 -13.752 1.00 0.00 N ATOM 662 CA GLY A 40 26.867 -5.625 -14.914 1.00 0.00 C ATOM 663 C GLY A 40 25.467 -5.329 -15.460 1.00 0.00 C ATOM 664 O GLY A 40 25.344 -4.589 -16.440 1.00 0.00 O ATOM 0 H GLY A 40 26.465 -6.055 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.351 -4.687 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.469 -6.079 -15.701 1.00 0.00 H new ATOM 668 N ARG A 41 24.409 -5.903 -14.871 1.00 0.00 N ATOM 669 CA ARG A 41 23.032 -5.597 -15.258 1.00 0.00 C ATOM 670 C ARG A 41 22.621 -4.262 -14.634 1.00 0.00 C ATOM 671 O ARG A 41 23.356 -3.700 -13.819 1.00 0.00 O ATOM 672 CB ARG A 41 22.069 -6.723 -14.823 1.00 0.00 C ATOM 673 CG ARG A 41 22.378 -8.161 -15.285 1.00 0.00 C ATOM 674 CD ARG A 41 22.974 -8.316 -16.697 1.00 0.00 C ATOM 675 NE ARG A 41 24.437 -8.481 -16.655 1.00 0.00 N ATOM 676 CZ ARG A 41 25.325 -8.108 -17.582 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.941 -7.619 -18.757 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.622 -8.225 -17.318 1.00 0.00 N ATOM 0 H ARG A 41 24.486 -6.587 -14.119 1.00 0.00 H new ATOM 0 HA ARG A 41 22.976 -5.522 -16.344 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.028 -6.724 -13.734 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.072 -6.465 -15.179 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.071 -8.607 -14.571 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.456 -8.740 -15.239 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.524 -9.178 -17.189 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.723 -7.441 -17.296 1.00 0.00 H new ATOM 0 HE ARG A 41 24.816 -8.932 -15.822 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.948 -7.521 -18.969 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.639 -7.342 -19.447 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.928 -8.595 -16.418 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.312 -7.945 -18.015 1.00 0.00 H new ATOM 692 N VAL A 42 21.423 -3.784 -14.955 1.00 0.00 N ATOM 693 CA VAL A 42 20.787 -2.711 -14.199 1.00 0.00 C ATOM 694 C VAL A 42 19.818 -3.388 -13.235 1.00 0.00 C ATOM 695 O VAL A 42 19.245 -4.434 -13.546 1.00 0.00 O ATOM 696 CB VAL A 42 20.110 -1.693 -15.142 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.408 -0.556 -14.380 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.167 -1.052 -16.051 1.00 0.00 C ATOM 0 H VAL A 42 20.869 -4.126 -15.740 1.00 0.00 H new ATOM 0 HA VAL A 42 21.510 -2.121 -13.635 1.00 0.00 H new ATOM 0 HB VAL A 42 19.364 -2.246 -15.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.949 0.130 -15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.638 -0.974 -13.731 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.138 -0.018 -13.776 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.688 -0.334 -16.716 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.911 -0.541 -15.440 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.655 -1.826 -16.644 1.00 0.00 H new ATOM 708 N GLU A 43 19.630 -2.781 -12.072 1.00 0.00 N ATOM 709 CA GLU A 43 18.771 -3.240 -11.004 1.00 0.00 C ATOM 710 C GLU A 43 17.979 -2.034 -10.521 1.00 0.00 C ATOM 711 O GLU A 43 18.518 -0.939 -10.369 1.00 0.00 O ATOM 712 CB GLU A 43 19.645 -3.843 -9.900 1.00 0.00 C ATOM 713 CG GLU A 43 18.930 -4.012 -8.551 1.00 0.00 C ATOM 714 CD GLU A 43 19.744 -4.876 -7.587 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.979 -4.998 -7.745 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.152 -5.472 -6.664 1.00 0.00 O ATOM 0 H GLU A 43 20.102 -1.907 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 43 18.075 -4.014 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.008 -4.816 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.520 -3.208 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.757 -3.033 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.952 -4.467 -8.711 1.00 0.00 H new ATOM 723 N ILE A 44 16.692 -2.237 -10.288 1.00 0.00 N ATOM 724 CA ILE A 44 15.734 -1.224 -9.910 1.00 0.00 C ATOM 725 C ILE A 44 15.003 -1.820 -8.714 1.00 0.00 C ATOM 726 O ILE A 44 14.729 -3.023 -8.691 1.00 0.00 O ATOM 727 CB ILE A 44 14.768 -0.965 -11.089 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.477 -0.862 -12.464 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.932 0.301 -10.816 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.514 -1.091 -13.620 1.00 0.00 C ATOM 0 H ILE A 44 16.271 -3.163 -10.363 1.00 0.00 H new ATOM 0 HA ILE A 44 16.191 -0.266 -9.662 1.00 0.00 H new ATOM 0 HB ILE A 44 14.115 -1.836 -11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.935 0.122 -12.563 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.283 -1.595 -12.512 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.254 0.476 -11.651 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.354 0.165 -9.902 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.596 1.158 -10.702 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.053 -1.010 -14.564 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.076 -2.086 -13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.723 -0.342 -13.588 1.00 0.00 H new ATOM 742 N LEU A 45 14.663 -0.999 -7.730 1.00 0.00 N ATOM 743 CA LEU A 45 13.877 -1.431 -6.583 1.00 0.00 C ATOM 744 C LEU A 45 12.963 -0.264 -6.267 1.00 0.00 C ATOM 745 O LEU A 45 13.462 0.842 -6.078 1.00 0.00 O ATOM 746 CB LEU A 45 14.820 -1.789 -5.422 1.00 0.00 C ATOM 747 CG LEU A 45 14.201 -2.718 -4.363 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.288 -3.064 -3.342 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.997 -2.124 -3.623 1.00 0.00 C ATOM 0 H LEU A 45 14.925 -0.013 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 45 13.286 -2.327 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.712 -2.265 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.143 -0.869 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 45 13.826 -3.595 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.874 -3.723 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.114 -3.566 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.651 -2.149 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.624 -2.846 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.300 -1.213 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.209 -1.890 -4.339 1.00 0.00 H new ATOM 761 N ALA A 46 11.648 -0.474 -6.266 1.00 0.00 N ATOM 762 CA ALA A 46 10.682 0.599 -6.099 1.00 0.00 C ATOM 763 C ALA A 46 9.492 0.117 -5.283 1.00 0.00 C ATOM 764 O ALA A 46 9.196 -1.079 -5.239 1.00 0.00 O ATOM 765 CB ALA A 46 10.220 1.100 -7.473 1.00 0.00 C ATOM 0 H ALA A 46 11.226 -1.396 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 46 11.155 1.422 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.496 1.904 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.079 1.472 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.757 0.280 -8.022 1.00 0.00 H new ATOM 771 N GLU A 47 8.789 1.073 -4.686 1.00 0.00 N ATOM 772 CA GLU A 47 7.546 0.892 -3.958 1.00 0.00 C ATOM 773 C GLU A 47 6.577 2.026 -4.305 1.00 0.00 C ATOM 774 O GLU A 47 6.995 3.115 -4.718 1.00 0.00 O ATOM 775 CB GLU A 47 7.815 0.820 -2.445 1.00 0.00 C ATOM 776 CG GLU A 47 8.540 2.064 -1.897 1.00 0.00 C ATOM 777 CD GLU A 47 8.619 2.091 -0.368 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.646 1.018 0.270 1.00 0.00 O ATOM 779 OE2 GLU A 47 8.706 3.198 0.204 1.00 0.00 O ATOM 0 H GLU A 47 9.091 2.047 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 47 7.087 -0.052 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.868 0.699 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.414 -0.065 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.549 2.099 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.024 2.959 -2.244 1.00 0.00 H new ATOM 786 N GLY A 48 5.281 1.759 -4.143 1.00 0.00 N ATOM 787 CA GLY A 48 4.204 2.697 -4.433 1.00 0.00 C ATOM 788 C GLY A 48 2.882 1.955 -4.635 1.00 0.00 C ATOM 789 O GLY A 48 2.797 0.770 -4.297 1.00 0.00 O ATOM 0 H GLY A 48 4.946 0.860 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.105 3.410 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.445 3.271 -5.328 1.00 0.00 H new ATOM 793 N PRO A 49 1.837 2.622 -5.150 1.00 0.00 N ATOM 794 CA PRO A 49 0.581 1.962 -5.474 1.00 0.00 C ATOM 795 C PRO A 49 0.762 1.047 -6.691 1.00 0.00 C ATOM 796 O PRO A 49 1.572 1.317 -7.585 1.00 0.00 O ATOM 797 CB PRO A 49 -0.429 3.089 -5.708 1.00 0.00 C ATOM 798 CG PRO A 49 0.430 4.273 -6.148 1.00 0.00 C ATOM 799 CD PRO A 49 1.774 4.045 -5.452 1.00 0.00 C ATOM 0 HA PRO A 49 0.227 1.309 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.158 2.819 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.989 3.318 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.543 4.301 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.017 5.221 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.602 4.344 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.847 4.640 -4.542 1.00 0.00 H new ATOM 807 N GLU A 50 -0.014 -0.039 -6.731 1.00 0.00 N ATOM 808 CA GLU A 50 0.156 -1.125 -7.691 1.00 0.00 C ATOM 809 C GLU A 50 0.063 -0.624 -9.134 1.00 0.00 C ATOM 810 O GLU A 50 0.882 -1.023 -9.959 1.00 0.00 O ATOM 811 CB GLU A 50 -0.882 -2.222 -7.393 1.00 0.00 C ATOM 812 CG GLU A 50 -0.778 -3.434 -8.331 1.00 0.00 C ATOM 813 CD GLU A 50 -1.838 -4.498 -7.992 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.575 -5.389 -7.153 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.948 -4.463 -8.572 1.00 0.00 O ATOM 0 H GLU A 50 -0.790 -0.188 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 50 1.156 -1.546 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.759 -2.558 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.882 -1.796 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.904 -3.109 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.217 -3.872 -8.254 1.00 0.00 H new ATOM 822 N ASN A 51 -0.892 0.257 -9.448 1.00 0.00 N ATOM 823 CA ASN A 51 -1.100 0.732 -10.820 1.00 0.00 C ATOM 824 C ASN A 51 0.056 1.612 -11.301 1.00 0.00 C ATOM 825 O ASN A 51 0.467 1.521 -12.460 1.00 0.00 O ATOM 826 CB ASN A 51 -2.421 1.506 -10.921 1.00 0.00 C ATOM 827 CG ASN A 51 -2.659 1.995 -12.350 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.718 1.205 -13.287 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.807 3.295 -12.550 1.00 0.00 N ATOM 0 H ASN A 51 -1.537 0.658 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.142 -0.146 -11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.247 0.866 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.402 2.357 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.972 3.651 -13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.756 3.941 -11.762 1.00 0.00 H new ATOM 836 N ALA A 52 0.609 2.448 -10.415 1.00 0.00 N ATOM 837 CA ALA A 52 1.780 3.253 -10.741 1.00 0.00 C ATOM 838 C ALA A 52 2.984 2.343 -10.973 1.00 0.00 C ATOM 839 O ALA A 52 3.740 2.559 -11.919 1.00 0.00 O ATOM 840 CB ALA A 52 2.066 4.253 -9.616 1.00 0.00 C ATOM 0 H ALA A 52 0.260 2.581 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 52 1.585 3.815 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.943 4.848 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.207 4.911 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.252 3.713 -8.688 1.00 0.00 H new ATOM 846 N LEU A 53 3.136 1.304 -10.148 1.00 0.00 N ATOM 847 CA LEU A 53 4.181 0.308 -10.322 1.00 0.00 C ATOM 848 C LEU A 53 4.009 -0.425 -11.654 1.00 0.00 C ATOM 849 O LEU A 53 5.002 -0.600 -12.357 1.00 0.00 O ATOM 850 CB LEU A 53 4.182 -0.659 -9.125 1.00 0.00 C ATOM 851 CG LEU A 53 4.848 -0.076 -7.865 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.471 -0.929 -6.656 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.379 -0.025 -7.961 1.00 0.00 C ATOM 0 H LEU A 53 2.534 1.135 -9.342 1.00 0.00 H new ATOM 0 HA LEU A 53 5.152 0.802 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.154 -0.933 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.699 -1.575 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 53 4.488 0.948 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.940 -0.520 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.388 -0.925 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.815 -1.952 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.787 0.396 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.768 -1.033 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.670 0.599 -8.806 1.00 0.00 H new ATOM 865 N GLN A 54 2.789 -0.807 -12.053 1.00 0.00 N ATOM 866 CA GLN A 54 2.572 -1.482 -13.337 1.00 0.00 C ATOM 867 C GLN A 54 2.978 -0.562 -14.487 1.00 0.00 C ATOM 868 O GLN A 54 3.708 -0.977 -15.388 1.00 0.00 O ATOM 869 CB GLN A 54 1.106 -1.917 -13.536 1.00 0.00 C ATOM 870 CG GLN A 54 0.522 -2.944 -12.550 1.00 0.00 C ATOM 871 CD GLN A 54 1.552 -3.891 -11.931 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.972 -4.871 -12.543 1.00 0.00 O ATOM 873 NE2 GLN A 54 1.983 -3.613 -10.711 1.00 0.00 N ATOM 0 H GLN A 54 1.940 -0.660 -11.506 1.00 0.00 H new ATOM 0 HA GLN A 54 3.190 -2.380 -13.330 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.483 -1.023 -13.497 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.012 -2.327 -14.542 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.012 -2.409 -11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.232 -3.537 -13.068 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.624 -2.796 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.674 -4.216 -10.265 1.00 0.00 H new ATOM 882 N SER A 55 2.548 0.699 -14.428 1.00 0.00 N ATOM 883 CA SER A 55 2.900 1.719 -15.409 1.00 0.00 C ATOM 884 C SER A 55 4.425 1.881 -15.497 1.00 0.00 C ATOM 885 O SER A 55 4.981 2.039 -16.584 1.00 0.00 O ATOM 886 CB SER A 55 2.220 3.044 -15.031 1.00 0.00 C ATOM 887 OG SER A 55 0.821 2.880 -14.848 1.00 0.00 O ATOM 0 H SER A 55 1.937 1.042 -13.687 1.00 0.00 H new ATOM 0 HA SER A 55 2.547 1.412 -16.394 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.664 3.433 -14.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.401 3.782 -15.812 1.00 0.00 H new ATOM 0 HG SER A 55 0.650 2.486 -13.967 1.00 0.00 H new ATOM 893 N PHE A 56 5.121 1.792 -14.363 1.00 0.00 N ATOM 894 CA PHE A 56 6.566 1.853 -14.334 1.00 0.00 C ATOM 895 C PHE A 56 7.197 0.592 -14.941 1.00 0.00 C ATOM 896 O PHE A 56 8.193 0.738 -15.645 1.00 0.00 O ATOM 897 CB PHE A 56 7.032 2.168 -12.908 1.00 0.00 C ATOM 898 CG PHE A 56 8.527 2.336 -12.702 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.300 3.101 -13.597 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.140 1.781 -11.561 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.673 3.284 -13.362 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.508 1.973 -11.320 1.00 0.00 C ATOM 903 CZ PHE A 56 11.273 2.727 -12.220 1.00 0.00 C ATOM 0 H PHE A 56 4.691 1.676 -13.445 1.00 0.00 H new ATOM 0 HA PHE A 56 6.917 2.666 -14.970 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.538 3.084 -12.583 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.686 1.369 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.837 3.547 -14.465 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.551 1.202 -10.865 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.268 3.854 -14.060 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.970 1.542 -10.444 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.326 2.880 -12.035 1.00 0.00 H new ATOM 913 N VAL A 57 6.621 -0.615 -14.803 1.00 0.00 N ATOM 914 CA VAL A 57 7.133 -1.765 -15.561 1.00 0.00 C ATOM 915 C VAL A 57 6.955 -1.511 -17.061 1.00 0.00 C ATOM 916 O VAL A 57 7.871 -1.807 -17.825 1.00 0.00 O ATOM 917 CB VAL A 57 6.499 -3.121 -15.172 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.338 -4.279 -15.743 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.406 -3.358 -13.663 1.00 0.00 C ATOM 0 H VAL A 57 5.827 -0.815 -14.194 1.00 0.00 H new ATOM 0 HA VAL A 57 8.189 -1.852 -15.305 1.00 0.00 H new ATOM 0 HB VAL A 57 5.490 -3.087 -15.583 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.884 -5.230 -15.464 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.375 -4.200 -16.829 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.350 -4.228 -15.340 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.950 -4.330 -13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.406 -3.336 -13.229 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.796 -2.577 -13.209 1.00 0.00 H new ATOM 929 N GLU A 58 5.820 -0.950 -17.500 1.00 0.00 N ATOM 930 CA GLU A 58 5.597 -0.639 -18.912 1.00 0.00 C ATOM 931 C GLU A 58 6.670 0.336 -19.419 1.00 0.00 C ATOM 932 O GLU A 58 7.182 0.165 -20.526 1.00 0.00 O ATOM 933 CB GLU A 58 4.187 -0.070 -19.154 1.00 0.00 C ATOM 934 CG GLU A 58 3.048 -1.071 -18.914 1.00 0.00 C ATOM 935 CD GLU A 58 3.011 -2.194 -19.964 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.542 -1.957 -21.101 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.432 -3.328 -19.648 1.00 0.00 O ATOM 0 H GLU A 58 5.040 -0.702 -16.891 1.00 0.00 H new ATOM 0 HA GLU A 58 5.673 -1.570 -19.474 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.040 0.792 -18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.126 0.292 -20.180 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.159 -1.510 -17.923 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.096 -0.540 -18.923 1.00 0.00 H new ATOM 944 N ALA A 59 7.051 1.324 -18.601 1.00 0.00 N ATOM 945 CA ALA A 59 8.134 2.238 -18.928 1.00 0.00 C ATOM 946 C ALA A 59 9.478 1.502 -19.012 1.00 0.00 C ATOM 947 O ALA A 59 10.207 1.658 -19.991 1.00 0.00 O ATOM 948 CB ALA A 59 8.195 3.367 -17.895 1.00 0.00 C ATOM 0 H ALA A 59 6.614 1.506 -17.698 1.00 0.00 H new ATOM 0 HA ALA A 59 7.935 2.669 -19.909 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.009 4.047 -18.147 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.252 3.913 -17.897 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.368 2.945 -16.905 1.00 0.00 H new ATOM 954 N VAL A 60 9.813 0.691 -18.006 1.00 0.00 N ATOM 955 CA VAL A 60 11.099 0.008 -17.916 1.00 0.00 C ATOM 956 C VAL A 60 11.263 -0.975 -19.081 1.00 0.00 C ATOM 957 O VAL A 60 12.308 -0.973 -19.732 1.00 0.00 O ATOM 958 CB VAL A 60 11.219 -0.659 -16.526 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.396 -1.637 -16.416 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.412 0.406 -15.433 1.00 0.00 C ATOM 0 H VAL A 60 9.190 0.490 -17.224 1.00 0.00 H new ATOM 0 HA VAL A 60 11.920 0.720 -18.007 1.00 0.00 H new ATOM 0 HB VAL A 60 10.290 -1.213 -16.393 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.419 -2.067 -15.415 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.277 -2.433 -17.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.329 -1.106 -16.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.495 -0.081 -14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.321 0.973 -15.634 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.557 1.082 -15.429 1.00 0.00 H new ATOM 970 N LYS A 61 10.244 -1.787 -19.391 1.00 0.00 N ATOM 971 CA LYS A 61 10.344 -2.801 -20.443 1.00 0.00 C ATOM 972 C LYS A 61 10.467 -2.190 -21.843 1.00 0.00 C ATOM 973 O LYS A 61 10.862 -2.896 -22.769 1.00 0.00 O ATOM 974 CB LYS A 61 9.200 -3.825 -20.339 1.00 0.00 C ATOM 975 CG LYS A 61 7.854 -3.304 -20.864 1.00 0.00 C ATOM 976 CD LYS A 61 6.720 -4.329 -20.746 1.00 0.00 C ATOM 977 CE LYS A 61 6.428 -4.731 -19.294 1.00 0.00 C ATOM 978 NZ LYS A 61 5.129 -5.432 -19.166 1.00 0.00 N ATOM 0 H LYS A 61 9.338 -1.759 -18.924 1.00 0.00 H new ATOM 0 HA LYS A 61 11.276 -3.343 -20.280 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.475 -4.721 -20.896 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.083 -4.121 -19.296 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.580 -2.404 -20.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.966 -3.015 -21.909 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.815 -3.916 -21.192 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.980 -5.219 -21.319 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.227 -5.376 -18.928 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.424 -3.841 -18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.044 -5.835 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.353 -4.758 -19.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.076 -6.196 -19.870 1.00 0.00 H new ATOM 992 N ASN A 62 10.129 -0.906 -22.024 1.00 0.00 N ATOM 993 CA ASN A 62 10.386 -0.209 -23.284 1.00 0.00 C ATOM 994 C ASN A 62 11.890 0.001 -23.506 1.00 0.00 C ATOM 995 O ASN A 62 12.331 0.108 -24.651 1.00 0.00 O ATOM 996 CB ASN A 62 9.673 1.154 -23.301 1.00 0.00 C ATOM 997 CG ASN A 62 9.781 1.821 -24.670 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.062 1.468 -25.602 1.00 0.00 O ATOM 999 ND2 ASN A 62 10.658 2.798 -24.821 1.00 0.00 N ATOM 0 H ASN A 62 9.677 -0.332 -21.312 1.00 0.00 H new ATOM 0 HA ASN A 62 9.997 -0.832 -24.089 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.623 1.020 -23.041 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.109 1.804 -22.542 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.745 3.271 -25.721 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.248 3.080 -24.038 1.00 0.00 H new ATOM 1006 N GLY A 63 12.678 0.084 -22.426 1.00 0.00 N ATOM 1007 CA GLY A 63 13.963 0.773 -22.437 1.00 0.00 C ATOM 1008 C GLY A 63 13.730 2.281 -22.573 1.00 0.00 C ATOM 1009 O GLY A 63 12.591 2.725 -22.758 1.00 0.00 O ATOM 0 H GLY A 63 12.438 -0.326 -21.524 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.510 0.560 -21.519 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.575 0.412 -23.264 1.00 0.00 H new ATOM 1013 N SER A 64 14.784 3.097 -22.508 1.00 0.00 N ATOM 1014 CA SER A 64 14.644 4.452 -23.022 1.00 0.00 C ATOM 1015 C SER A 64 14.547 4.376 -24.553 1.00 0.00 C ATOM 1016 O SER A 64 15.041 3.412 -25.151 1.00 0.00 O ATOM 1017 CB SER A 64 15.799 5.346 -22.564 1.00 0.00 C ATOM 1018 OG SER A 64 17.027 4.990 -23.168 1.00 0.00 O ATOM 0 H SER A 64 15.698 2.857 -22.124 1.00 0.00 H new ATOM 0 HA SER A 64 13.737 4.908 -22.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 15.568 6.384 -22.802 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.898 5.281 -21.480 1.00 0.00 H new ATOM 0 HG SER A 64 17.735 5.588 -22.847 1.00 0.00 H new ATOM 1024 N PRO A 65 14.029 5.422 -25.215 1.00 0.00 N ATOM 1025 CA PRO A 65 14.238 5.687 -26.638 1.00 0.00 C ATOM 1026 C PRO A 65 15.704 5.648 -27.128 1.00 0.00 C ATOM 1027 O PRO A 65 15.933 5.805 -28.330 1.00 0.00 O ATOM 1028 CB PRO A 65 13.615 7.067 -26.876 1.00 0.00 C ATOM 1029 CG PRO A 65 12.513 7.149 -25.823 1.00 0.00 C ATOM 1030 CD PRO A 65 13.107 6.389 -24.639 1.00 0.00 C ATOM 0 HA PRO A 65 13.778 4.886 -27.216 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.348 7.864 -26.753 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.213 7.157 -27.885 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.280 8.182 -25.563 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.587 6.692 -26.172 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.624 7.066 -23.959 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.327 5.891 -24.062 1.00 0.00 H new ATOM 1038 N PHE A 66 16.690 5.447 -26.243 1.00 0.00 N ATOM 1039 CA PHE A 66 18.118 5.433 -26.540 1.00 0.00 C ATOM 1040 C PHE A 66 18.781 4.133 -26.045 1.00 0.00 C ATOM 1041 O PHE A 66 20.008 4.035 -26.073 1.00 0.00 O ATOM 1042 CB PHE A 66 18.770 6.679 -25.914 1.00 0.00 C ATOM 1043 CG PHE A 66 18.067 7.987 -26.238 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.263 8.606 -27.488 1.00 0.00 C ATOM 1045 CD2 PHE A 66 17.187 8.568 -25.302 1.00 0.00 C ATOM 1046 CE1 PHE A 66 17.585 9.799 -27.799 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.509 9.760 -25.615 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.708 10.376 -26.864 1.00 0.00 C ATOM 0 H PHE A 66 16.498 5.282 -25.255 1.00 0.00 H new ATOM 0 HA PHE A 66 18.263 5.461 -27.620 1.00 0.00 H new ATOM 0 HB2 PHE A 66 18.798 6.554 -24.832 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.804 6.743 -26.254 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.935 8.164 -28.209 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.033 8.097 -24.343 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.739 10.272 -28.758 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.835 10.203 -24.896 1.00 0.00 H new ATOM 0 HZ PHE A 66 16.188 11.291 -27.104 1.00 0.00 H new ATOM 1058 N SER A 67 17.997 3.134 -25.618 1.00 0.00 N ATOM 1059 CA SER A 67 18.480 1.865 -25.072 1.00 0.00 C ATOM 1060 C SER A 67 17.777 0.690 -25.763 1.00 0.00 C ATOM 1061 O SER A 67 16.809 0.880 -26.505 1.00 0.00 O ATOM 1062 CB SER A 67 18.217 1.830 -23.560 1.00 0.00 C ATOM 1063 OG SER A 67 18.770 2.959 -22.917 1.00 0.00 O ATOM 0 H SER A 67 16.979 3.191 -25.645 1.00 0.00 H new ATOM 0 HA SER A 67 19.551 1.778 -25.252 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.143 1.794 -23.376 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.644 0.921 -23.135 1.00 0.00 H new ATOM 0 HG SER A 67 18.080 3.647 -22.813 1.00 0.00 H new ATOM 1069 N LYS A 68 18.240 -0.536 -25.496 1.00 0.00 N ATOM 1070 CA LYS A 68 17.617 -1.768 -25.967 1.00 0.00 C ATOM 1071 C LYS A 68 17.730 -2.799 -24.852 1.00 0.00 C ATOM 1072 O LYS A 68 18.721 -3.523 -24.770 1.00 0.00 O ATOM 1073 CB LYS A 68 18.264 -2.245 -27.282 1.00 0.00 C ATOM 1074 CG LYS A 68 17.480 -3.417 -27.899 1.00 0.00 C ATOM 1075 CD LYS A 68 18.225 -4.017 -29.097 1.00 0.00 C ATOM 1076 CE LYS A 68 17.368 -5.103 -29.764 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.046 -5.713 -30.935 1.00 0.00 N ATOM 0 H LYS A 68 19.076 -0.698 -24.934 1.00 0.00 H new ATOM 0 HA LYS A 68 16.564 -1.606 -26.198 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.304 -1.418 -27.991 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.293 -2.552 -27.093 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.320 -4.187 -27.145 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.496 -3.072 -28.216 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.459 -3.234 -29.818 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.174 -4.442 -28.769 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.137 -5.880 -29.035 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.419 -4.671 -30.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.431 -6.440 -31.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.244 -4.978 -31.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.940 -6.149 -30.630 1.00 0.00 H new ATOM 1091 N VAL A 69 16.732 -2.849 -23.974 1.00 0.00 N ATOM 1092 CA VAL A 69 16.520 -4.010 -23.119 1.00 0.00 C ATOM 1093 C VAL A 69 16.289 -5.224 -24.028 1.00 0.00 C ATOM 1094 O VAL A 69 15.540 -5.137 -25.005 1.00 0.00 O ATOM 1095 CB VAL A 69 15.370 -3.743 -22.119 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.105 -3.130 -22.739 1.00 0.00 C ATOM 1097 CG2 VAL A 69 14.965 -5.006 -21.345 1.00 0.00 C ATOM 0 H VAL A 69 16.057 -2.097 -23.837 1.00 0.00 H new ATOM 0 HA VAL A 69 17.392 -4.217 -22.498 1.00 0.00 H new ATOM 0 HB VAL A 69 15.797 -3.003 -21.442 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.355 -2.979 -21.962 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.352 -2.172 -23.196 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.709 -3.804 -23.499 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.155 -4.767 -20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.631 -5.771 -22.046 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.821 -5.378 -20.782 1.00 0.00 H new ATOM 1107 N THR A 70 16.918 -6.350 -23.699 1.00 0.00 N ATOM 1108 CA THR A 70 16.741 -7.624 -24.382 1.00 0.00 C ATOM 1109 C THR A 70 16.266 -8.708 -23.400 1.00 0.00 C ATOM 1110 O THR A 70 15.756 -9.741 -23.840 1.00 0.00 O ATOM 1111 CB THR A 70 18.047 -7.998 -25.112 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.142 -8.031 -24.217 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.394 -6.973 -26.199 1.00 0.00 C ATOM 0 H THR A 70 17.583 -6.400 -22.927 1.00 0.00 H new ATOM 0 HA THR A 70 15.958 -7.538 -25.135 1.00 0.00 H new ATOM 0 HB THR A 70 17.877 -8.981 -25.552 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.957 -8.272 -24.705 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.320 -7.267 -26.694 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.588 -6.933 -26.932 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.521 -5.990 -25.745 1.00 0.00 H new ATOM 1121 N ASP A 71 16.369 -8.478 -22.083 1.00 0.00 N ATOM 1122 CA ASP A 71 15.860 -9.373 -21.046 1.00 0.00 C ATOM 1123 C ASP A 71 15.533 -8.563 -19.789 1.00 0.00 C ATOM 1124 O ASP A 71 16.218 -7.587 -19.477 1.00 0.00 O ATOM 1125 CB ASP A 71 16.905 -10.451 -20.727 1.00 0.00 C ATOM 1126 CG ASP A 71 16.440 -11.372 -19.589 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.378 -12.017 -19.732 1.00 0.00 O ATOM 1128 OD2 ASP A 71 17.151 -11.479 -18.565 1.00 0.00 O ATOM 0 H ASP A 71 16.820 -7.644 -21.706 1.00 0.00 H new ATOM 0 HA ASP A 71 14.953 -9.862 -21.401 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.100 -11.045 -21.620 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.846 -9.975 -20.449 1.00 0.00 H new ATOM 1133 N ILE A 72 14.487 -8.964 -19.070 1.00 0.00 N ATOM 1134 CA ILE A 72 13.990 -8.320 -17.859 1.00 0.00 C ATOM 1135 C ILE A 72 13.485 -9.424 -16.920 1.00 0.00 C ATOM 1136 O ILE A 72 12.905 -10.413 -17.378 1.00 0.00 O ATOM 1137 CB ILE A 72 12.912 -7.258 -18.215 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.278 -6.651 -16.940 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.825 -7.779 -19.181 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.421 -5.406 -17.210 1.00 0.00 C ATOM 0 H ILE A 72 13.939 -9.784 -19.329 1.00 0.00 H new ATOM 0 HA ILE A 72 14.776 -7.769 -17.343 1.00 0.00 H new ATOM 0 HB ILE A 72 13.439 -6.469 -18.752 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.661 -7.408 -16.456 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.071 -6.390 -16.239 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.108 -6.984 -19.384 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.290 -8.096 -20.115 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.310 -8.625 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.010 -5.037 -16.271 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.038 -4.631 -17.666 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.606 -5.665 -17.886 1.00 0.00 H new ATOM 1152 N SER A 73 13.687 -9.238 -15.615 1.00 0.00 N ATOM 1153 CA SER A 73 13.343 -10.192 -14.569 1.00 0.00 C ATOM 1154 C SER A 73 12.795 -9.406 -13.381 1.00 0.00 C ATOM 1155 O SER A 73 13.417 -8.432 -12.965 1.00 0.00 O ATOM 1156 CB SER A 73 14.609 -10.964 -14.158 1.00 0.00 C ATOM 1157 OG SER A 73 15.145 -11.696 -15.250 1.00 0.00 O ATOM 0 H SER A 73 14.111 -8.386 -15.248 1.00 0.00 H new ATOM 0 HA SER A 73 12.596 -10.905 -14.919 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.357 -10.266 -13.783 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.372 -11.646 -13.341 1.00 0.00 H new ATOM 0 HG SER A 73 15.949 -12.175 -14.960 1.00 0.00 H new ATOM 1163 N VAL A 74 11.648 -9.806 -12.833 1.00 0.00 N ATOM 1164 CA VAL A 74 10.934 -9.094 -11.786 1.00 0.00 C ATOM 1165 C VAL A 74 10.603 -10.029 -10.619 1.00 0.00 C ATOM 1166 O VAL A 74 10.307 -11.211 -10.819 1.00 0.00 O ATOM 1167 CB VAL A 74 9.700 -8.443 -12.438 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.817 -9.387 -13.272 1.00 0.00 C ATOM 1169 CG2 VAL A 74 8.823 -7.692 -11.421 1.00 0.00 C ATOM 0 H VAL A 74 11.178 -10.665 -13.119 1.00 0.00 H new ATOM 0 HA VAL A 74 11.545 -8.307 -11.343 1.00 0.00 H new ATOM 0 HB VAL A 74 10.143 -7.735 -13.138 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.977 -8.829 -13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.406 -9.812 -14.085 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.442 -10.190 -12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.967 -7.252 -11.933 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.472 -8.388 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.408 -6.903 -10.949 1.00 0.00 H new ATOM 1179 N THR A 75 10.627 -9.475 -9.406 1.00 0.00 N ATOM 1180 CA THR A 75 10.243 -10.136 -8.169 1.00 0.00 C ATOM 1181 C THR A 75 9.436 -9.102 -7.380 1.00 0.00 C ATOM 1182 O THR A 75 9.972 -8.047 -7.033 1.00 0.00 O ATOM 1183 CB THR A 75 11.508 -10.584 -7.399 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.478 -11.164 -8.258 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.184 -11.619 -6.318 1.00 0.00 C ATOM 0 H THR A 75 10.928 -8.512 -9.258 1.00 0.00 H new ATOM 0 HA THR A 75 9.650 -11.034 -8.343 1.00 0.00 H new ATOM 0 HB THR A 75 11.903 -9.675 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.261 -11.432 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.101 -11.906 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.484 -11.190 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.737 -12.499 -6.780 1.00 0.00 H new ATOM 1193 N GLU A 76 8.147 -9.350 -7.128 1.00 0.00 N ATOM 1194 CA GLU A 76 7.397 -8.547 -6.170 1.00 0.00 C ATOM 1195 C GLU A 76 7.950 -8.798 -4.764 1.00 0.00 C ATOM 1196 O GLU A 76 8.649 -9.783 -4.506 1.00 0.00 O ATOM 1197 CB GLU A 76 5.884 -8.819 -6.254 1.00 0.00 C ATOM 1198 CG GLU A 76 5.486 -10.272 -5.953 1.00 0.00 C ATOM 1199 CD GLU A 76 3.970 -10.404 -5.732 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.498 -10.155 -4.599 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.239 -10.783 -6.677 1.00 0.00 O ATOM 0 H GLU A 76 7.609 -10.094 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 76 7.524 -7.492 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.369 -8.161 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.535 -8.558 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.792 -10.913 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.016 -10.620 -5.066 1.00 0.00 H new ATOM 1208 N SER A 77 7.633 -7.908 -3.836 1.00 0.00 N ATOM 1209 CA SER A 77 7.958 -8.032 -2.424 1.00 0.00 C ATOM 1210 C SER A 77 6.915 -7.253 -1.619 1.00 0.00 C ATOM 1211 O SER A 77 6.152 -6.457 -2.173 1.00 0.00 O ATOM 1212 CB SER A 77 9.389 -7.526 -2.190 1.00 0.00 C ATOM 1213 OG SER A 77 10.322 -8.388 -2.817 1.00 0.00 O ATOM 0 H SER A 77 7.125 -7.050 -4.053 1.00 0.00 H new ATOM 0 HA SER A 77 7.928 -9.071 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.494 -6.516 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.593 -7.473 -1.121 1.00 0.00 H new ATOM 0 HG SER A 77 9.844 -9.045 -3.365 1.00 0.00 H new ATOM 1219 N ARG A 78 6.833 -7.534 -0.316 1.00 0.00 N ATOM 1220 CA ARG A 78 5.784 -7.024 0.571 1.00 0.00 C ATOM 1221 C ARG A 78 6.413 -6.645 1.920 1.00 0.00 C ATOM 1222 O ARG A 78 5.808 -6.830 2.977 1.00 0.00 O ATOM 1223 CB ARG A 78 4.641 -8.061 0.686 1.00 0.00 C ATOM 1224 CG ARG A 78 4.044 -8.449 -0.682 1.00 0.00 C ATOM 1225 CD ARG A 78 2.838 -9.384 -0.564 1.00 0.00 C ATOM 1226 NE ARG A 78 2.419 -9.860 -1.894 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.263 -10.454 -2.203 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.324 -10.669 -1.284 1.00 0.00 N ATOM 1229 NH2 ARG A 78 1.079 -10.828 -3.461 1.00 0.00 N ATOM 0 H ARG A 78 7.506 -8.134 0.161 1.00 0.00 H new ATOM 0 HA ARG A 78 5.331 -6.120 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.018 -8.957 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.852 -7.656 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.745 -7.544 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.814 -8.932 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.091 -10.234 0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.012 -8.862 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 78 3.080 -9.722 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.479 -10.378 -0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.550 -11.125 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.807 -10.659 -4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.209 -11.285 -3.735 1.00 0.00 H new ATOM 1243 N SER A 79 7.647 -6.140 1.871 1.00 0.00 N ATOM 1244 CA SER A 79 8.518 -5.853 3.004 1.00 0.00 C ATOM 1245 C SER A 79 9.153 -4.485 2.725 1.00 0.00 C ATOM 1246 O SER A 79 10.352 -4.376 2.457 1.00 0.00 O ATOM 1247 CB SER A 79 9.543 -6.988 3.158 1.00 0.00 C ATOM 1248 OG SER A 79 8.898 -8.250 3.279 1.00 0.00 O ATOM 0 H SER A 79 8.089 -5.907 0.982 1.00 0.00 H new ATOM 0 HA SER A 79 7.984 -5.805 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.210 -6.999 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.161 -6.807 4.037 1.00 0.00 H new ATOM 0 HG SER A 79 9.573 -8.954 3.374 1.00 0.00 H new ATOM 1254 N LEU A 80 8.282 -3.471 2.644 1.00 0.00 N ATOM 1255 CA LEU A 80 8.528 -2.175 2.012 1.00 0.00 C ATOM 1256 C LEU A 80 9.769 -1.454 2.550 1.00 0.00 C ATOM 1257 O LEU A 80 10.182 -1.642 3.697 1.00 0.00 O ATOM 1258 CB LEU A 80 7.266 -1.293 2.119 1.00 0.00 C ATOM 1259 CG LEU A 80 6.384 -1.375 0.856 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.778 -2.772 0.643 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.251 -0.349 0.927 1.00 0.00 C ATOM 0 H LEU A 80 7.343 -3.538 3.037 1.00 0.00 H new ATOM 0 HA LEU A 80 8.745 -2.367 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.683 -1.601 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.563 -0.257 2.285 1.00 0.00 H new ATOM 0 HG LEU A 80 7.038 -1.160 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.167 -2.770 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.579 -3.504 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.157 -3.034 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.639 -0.420 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.634 -0.548 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.672 0.654 1.000 1.00 0.00 H new ATOM 1273 N GLU A 81 10.332 -0.588 1.708 1.00 0.00 N ATOM 1274 CA GLU A 81 11.473 0.261 2.020 1.00 0.00 C ATOM 1275 C GLU A 81 11.053 1.341 3.023 1.00 0.00 C ATOM 1276 O GLU A 81 11.816 1.668 3.935 1.00 0.00 O ATOM 1277 CB GLU A 81 11.989 0.960 0.744 1.00 0.00 C ATOM 1278 CG GLU A 81 12.312 0.046 -0.447 1.00 0.00 C ATOM 1279 CD GLU A 81 13.353 -1.028 -0.088 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.481 -0.680 0.329 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.035 -2.228 -0.225 1.00 0.00 O ATOM 0 H GLU A 81 9.991 -0.456 0.756 1.00 0.00 H new ATOM 0 HA GLU A 81 12.261 -0.364 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.241 1.686 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.889 1.520 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.397 -0.437 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.685 0.649 -1.275 1.00 0.00 H new ATOM 1288 N GLY A 82 9.849 1.902 2.851 1.00 0.00 N ATOM 1289 CA GLY A 82 9.439 3.121 3.540 1.00 0.00 C ATOM 1290 C GLY A 82 10.324 4.301 3.120 1.00 0.00 C ATOM 1291 O GLY A 82 10.715 5.116 3.960 1.00 0.00 O ATOM 0 H GLY A 82 9.136 1.520 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.396 3.342 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.505 2.976 4.618 1.00 0.00 H new ATOM 1295 N HIS A 83 10.706 4.345 1.841 1.00 0.00 N ATOM 1296 CA HIS A 83 11.553 5.377 1.256 1.00 0.00 C ATOM 1297 C HIS A 83 10.719 6.651 1.025 1.00 0.00 C ATOM 1298 O HIS A 83 9.485 6.618 1.071 1.00 0.00 O ATOM 1299 CB HIS A 83 12.161 4.835 -0.057 1.00 0.00 C ATOM 1300 CG HIS A 83 13.600 5.210 -0.333 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.124 5.567 -1.555 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.664 5.044 0.517 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.462 5.586 -1.453 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.845 5.315 -0.191 1.00 0.00 N ATOM 0 H HIS A 83 10.422 3.637 1.164 1.00 0.00 H new ATOM 0 HA HIS A 83 12.371 5.637 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.087 3.748 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.550 5.187 -0.888 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.587 5.781 -2.395 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.603 4.754 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.138 5.790 -2.270 1.00 0.00 H new ATOM 1312 N HIS A 84 11.386 7.775 0.745 1.00 0.00 N ATOM 1313 CA HIS A 84 10.741 9.079 0.535 1.00 0.00 C ATOM 1314 C HIS A 84 11.441 9.855 -0.601 1.00 0.00 C ATOM 1315 O HIS A 84 11.419 11.088 -0.647 1.00 0.00 O ATOM 1316 CB HIS A 84 10.715 9.837 1.880 1.00 0.00 C ATOM 1317 CG HIS A 84 9.631 10.886 1.988 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.493 12.006 1.201 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.605 10.909 2.896 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.412 12.687 1.615 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.832 12.056 2.654 1.00 0.00 N ATOM 0 H HIS A 84 12.402 7.807 0.656 1.00 0.00 H new ATOM 0 HA HIS A 84 9.709 8.953 0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.586 9.115 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.683 10.316 2.032 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.108 12.274 0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.423 10.173 3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.058 13.609 1.177 1.00 0.00 H new ATOM 1329 N ARG A 85 12.121 9.137 -1.499 1.00 0.00 N ATOM 1330 CA ARG A 85 12.968 9.675 -2.563 1.00 0.00 C ATOM 1331 C ARG A 85 13.134 8.592 -3.627 1.00 0.00 C ATOM 1332 O ARG A 85 12.794 7.428 -3.375 1.00 0.00 O ATOM 1333 CB ARG A 85 14.335 10.100 -1.971 1.00 0.00 C ATOM 1334 CG ARG A 85 15.109 8.913 -1.376 1.00 0.00 C ATOM 1335 CD ARG A 85 16.406 9.299 -0.664 1.00 0.00 C ATOM 1336 NE ARG A 85 17.029 8.085 -0.112 1.00 0.00 N ATOM 1337 CZ ARG A 85 18.288 7.930 0.303 1.00 0.00 C ATOM 1338 NH1 ARG A 85 19.127 8.962 0.349 1.00 0.00 N ATOM 1339 NH2 ARG A 85 18.682 6.717 0.674 1.00 0.00 N ATOM 0 H ARG A 85 12.094 8.117 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 85 12.515 10.557 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.936 10.568 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.175 10.851 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.463 8.390 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.343 8.210 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.087 9.788 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.200 10.012 0.134 1.00 0.00 H new ATOM 0 HE ARG A 85 16.427 7.265 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.811 9.889 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.086 8.826 0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.028 5.935 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.638 6.568 0.996 1.00 0.00 H new ATOM 1353 N PHE A 86 13.743 8.929 -4.760 1.00 0.00 N ATOM 1354 CA PHE A 86 14.254 7.941 -5.697 1.00 0.00 C ATOM 1355 C PHE A 86 15.744 8.226 -5.881 1.00 0.00 C ATOM 1356 O PHE A 86 16.123 9.387 -6.060 1.00 0.00 O ATOM 1357 CB PHE A 86 13.457 7.943 -7.010 1.00 0.00 C ATOM 1358 CG PHE A 86 13.351 6.556 -7.621 1.00 0.00 C ATOM 1359 CD1 PHE A 86 14.438 5.983 -8.306 1.00 0.00 C ATOM 1360 CD2 PHE A 86 12.172 5.807 -7.451 1.00 0.00 C ATOM 1361 CE1 PHE A 86 14.339 4.682 -8.828 1.00 0.00 C ATOM 1362 CE2 PHE A 86 12.087 4.491 -7.937 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.171 3.928 -8.632 1.00 0.00 C ATOM 0 H PHE A 86 13.895 9.895 -5.052 1.00 0.00 H new ATOM 0 HA PHE A 86 14.132 6.929 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.456 8.334 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.935 8.616 -7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.352 6.545 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 86 11.326 6.247 -6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.165 4.261 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 86 11.189 3.913 -7.776 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.106 2.920 -9.014 1.00 0.00 H new ATOM 1373 N SER A 87 16.582 7.191 -5.818 1.00 0.00 N ATOM 1374 CA SER A 87 18.033 7.332 -5.704 1.00 0.00 C ATOM 1375 C SER A 87 18.754 6.632 -6.861 1.00 0.00 C ATOM 1376 O SER A 87 18.181 5.769 -7.529 1.00 0.00 O ATOM 1377 CB SER A 87 18.469 6.770 -4.344 1.00 0.00 C ATOM 1378 OG SER A 87 17.763 7.410 -3.292 1.00 0.00 O ATOM 0 H SER A 87 16.269 6.221 -5.845 1.00 0.00 H new ATOM 0 HA SER A 87 18.305 8.386 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.286 5.696 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.541 6.915 -4.211 1.00 0.00 H new ATOM 0 HG SER A 87 18.051 7.039 -2.432 1.00 0.00 H new ATOM 1384 N ILE A 88 20.009 7.013 -7.099 1.00 0.00 N ATOM 1385 CA ILE A 88 20.890 6.398 -8.090 1.00 0.00 C ATOM 1386 C ILE A 88 22.085 5.827 -7.326 1.00 0.00 C ATOM 1387 O ILE A 88 22.630 6.496 -6.443 1.00 0.00 O ATOM 1388 CB ILE A 88 21.303 7.407 -9.198 1.00 0.00 C ATOM 1389 CG1 ILE A 88 20.039 7.951 -9.901 1.00 0.00 C ATOM 1390 CG2 ILE A 88 22.264 6.736 -10.192 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.207 8.721 -11.219 1.00 0.00 C ATOM 0 H ILE A 88 20.453 7.780 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 88 20.379 5.597 -8.625 1.00 0.00 H new ATOM 0 HB ILE A 88 21.830 8.250 -8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.377 7.107 -10.093 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.525 8.606 -9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.547 7.452 -10.964 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.156 6.399 -9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.771 5.880 -10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.229 9.035 -11.584 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.831 9.599 -11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.681 8.076 -11.959 1.00 0.00 H new ATOM 1403 N VAL A 89 22.493 4.603 -7.666 1.00 0.00 N ATOM 1404 CA VAL A 89 23.631 3.920 -7.052 1.00 0.00 C ATOM 1405 C VAL A 89 24.418 3.146 -8.130 1.00 0.00 C ATOM 1406 O VAL A 89 24.074 3.188 -9.318 1.00 0.00 O ATOM 1407 CB VAL A 89 23.180 3.035 -5.848 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.065 3.322 -4.626 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.711 3.180 -5.398 1.00 0.00 C ATOM 0 H VAL A 89 22.033 4.050 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 89 24.313 4.656 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 89 23.284 2.018 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.744 2.700 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.104 3.096 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.977 4.373 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.521 2.515 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.523 4.210 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.050 2.917 -6.224 1.00 0.00 H new ATOM 1419 N TYR A 90 25.487 2.448 -7.728 1.00 0.00 N ATOM 1420 CA TYR A 90 26.429 1.781 -8.634 1.00 0.00 C ATOM 1421 C TYR A 90 26.826 0.369 -8.156 1.00 0.00 C ATOM 1422 O TYR A 90 27.616 -0.296 -8.833 1.00 0.00 O ATOM 1423 CB TYR A 90 27.675 2.674 -8.806 1.00 0.00 C ATOM 1424 CG TYR A 90 27.418 3.983 -9.536 1.00 0.00 C ATOM 1425 CD1 TYR A 90 26.953 5.113 -8.835 1.00 0.00 C ATOM 1426 CD2 TYR A 90 27.641 4.067 -10.924 1.00 0.00 C ATOM 1427 CE1 TYR A 90 26.673 6.309 -9.520 1.00 0.00 C ATOM 1428 CE2 TYR A 90 27.369 5.262 -11.616 1.00 0.00 C ATOM 1429 CZ TYR A 90 26.876 6.388 -10.916 1.00 0.00 C ATOM 1430 OH TYR A 90 26.603 7.553 -11.570 1.00 0.00 O ATOM 0 H TYR A 90 25.726 2.329 -6.744 1.00 0.00 H new ATOM 0 HA TYR A 90 25.931 1.642 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 90 28.085 2.897 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 90 28.436 2.113 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 90 26.811 5.061 -7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 90 28.023 3.210 -11.460 1.00 0.00 H new ATOM 0 HE1 TYR A 90 26.303 7.167 -8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 90 27.537 5.319 -12.681 1.00 0.00 H new ATOM 0 HH TYR A 90 26.796 7.445 -12.525 1.00 0.00 H new ATOM 1440 N SER A 91 26.271 -0.105 -7.031 1.00 0.00 N ATOM 1441 CA SER A 91 26.810 -1.223 -6.251 1.00 0.00 C ATOM 1442 C SER A 91 28.329 -1.061 -6.077 1.00 0.00 C ATOM 1443 O SER A 91 28.758 0.050 -5.694 1.00 0.00 O ATOM 1444 CB SER A 91 26.395 -2.567 -6.867 1.00 0.00 C ATOM 1445 OG SER A 91 24.996 -2.596 -7.095 1.00 0.00 O ATOM 1446 OXT SER A 91 29.096 -2.027 -6.276 1.00 0.00 O ATOM 0 H SER A 91 25.418 0.287 -6.632 1.00 0.00 H new ATOM 0 HA SER A 91 26.382 -1.214 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 91 26.926 -2.723 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 91 26.678 -3.382 -6.201 1.00 0.00 H new ATOM 0 HG SER A 91 24.821 -2.574 -8.059 1.00 0.00 H new TER 1452 SER A 91