USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-6.7!) USER MOD Set 1.2: B 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 74:sc= 0.127 USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= 0.0624 F(o=-0.63,f=0.19) USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= 0.366 USER MOD Set 3.2: A 81 THR OG1 : rot -28:sc= 0.393 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 3 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.24) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0.241! F(o=-0.3,f=0.24!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -1.48! USER MOD Single : A 28 ASN : amide:sc= 0.259 K(o=0.26,f=-2.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 44:sc= 0.0804 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.12! C(o=-3.1!,f=-12!) USER MOD Single : A 58 THR OG1 : rot -130:sc= -0.0107 USER MOD Single : A 63 SER OG : rot 180:sc= -0.617 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -144:sc= -2.64! (180deg=-5.56!) USER MOD Single : A 74 SER OG : rot -88:sc= 1.17 USER MOD Single : A 76 SER OG : rot 180:sc= 0.00769 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -0.0627 K(o=-0.063,f=-0.59) USER MOD Single : B 93 LYS NZ :NH3+ -113:sc= 0.0707 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.580 20.157 -18.988 1.00 0.00 N ATOM 2 CA GLY A 1 4.468 20.596 -17.874 1.00 0.00 C ATOM 3 C GLY A 1 5.055 19.428 -17.103 1.00 0.00 C ATOM 4 O GLY A 1 4.503 19.017 -16.081 1.00 0.00 O ATOM 0 H1 GLY A 1 3.205 20.992 -19.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.123 19.574 -19.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.791 19.599 -18.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.278 21.204 -18.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.902 21.230 -17.191 1.00 0.00 H new ATOM 10 N SER A 2 6.172 18.890 -17.596 1.00 0.00 N ATOM 11 CA SER A 2 6.832 17.758 -16.947 1.00 0.00 C ATOM 12 C SER A 2 8.341 17.769 -17.204 1.00 0.00 C ATOM 13 O SER A 2 8.832 18.515 -18.053 1.00 0.00 O ATOM 14 CB SER A 2 6.231 16.440 -17.442 1.00 0.00 C ATOM 15 OG SER A 2 6.651 15.352 -16.633 1.00 0.00 O ATOM 0 H SER A 2 6.637 19.220 -18.442 1.00 0.00 H new ATOM 0 HA SER A 2 6.669 17.849 -15.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.143 16.506 -17.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.530 16.266 -18.476 1.00 0.00 H new ATOM 0 HG SER A 2 6.253 14.522 -16.969 1.00 0.00 H new ATOM 21 N HIS A 3 9.064 16.931 -16.458 1.00 0.00 N ATOM 22 CA HIS A 3 10.515 16.827 -16.589 1.00 0.00 C ATOM 23 C HIS A 3 11.026 15.508 -15.990 1.00 0.00 C ATOM 24 O HIS A 3 12.061 15.477 -15.319 1.00 0.00 O ATOM 25 CB HIS A 3 11.185 18.023 -15.901 1.00 0.00 C ATOM 26 CG HIS A 3 12.621 18.224 -16.285 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.051 18.272 -17.595 1.00 0.00 N ATOM 28 CD2 HIS A 3 13.726 18.395 -15.522 1.00 0.00 C ATOM 29 CE1 HIS A 3 14.359 18.462 -17.619 1.00 0.00 C ATOM 30 NE2 HIS A 3 14.793 18.540 -16.376 1.00 0.00 N ATOM 0 H HIS A 3 8.663 16.312 -15.753 1.00 0.00 H new ATOM 0 HA HIS A 3 10.771 16.836 -17.649 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.626 18.927 -16.141 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.124 17.888 -14.821 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.762 18.414 -14.443 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.969 18.540 -18.507 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.763 18.684 -16.094 1.00 0.00 H new ATOM 39 N MET A 4 10.291 14.419 -16.238 1.00 0.00 N ATOM 40 CA MET A 4 10.664 13.100 -15.723 1.00 0.00 C ATOM 41 C MET A 4 9.994 11.981 -16.528 1.00 0.00 C ATOM 42 O MET A 4 9.231 12.246 -17.460 1.00 0.00 O ATOM 43 CB MET A 4 10.290 12.978 -14.239 1.00 0.00 C ATOM 44 CG MET A 4 8.803 13.154 -13.960 1.00 0.00 C ATOM 45 SD MET A 4 8.372 14.854 -13.539 1.00 0.00 S ATOM 46 CE MET A 4 7.043 14.585 -12.371 1.00 0.00 C ATOM 0 H MET A 4 9.435 14.426 -16.792 1.00 0.00 H new ATOM 0 HA MET A 4 11.744 12.995 -15.827 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.605 12.000 -13.874 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.847 13.724 -13.672 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.234 12.845 -14.837 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.510 12.496 -13.142 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.669 15.546 -12.018 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.236 14.038 -12.858 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.414 14.007 -11.525 1.00 0.00 H new ATOM 56 N GLY A 5 10.287 10.730 -16.158 1.00 0.00 N ATOM 57 CA GLY A 5 9.707 9.590 -16.850 1.00 0.00 C ATOM 58 C GLY A 5 10.024 8.268 -16.170 1.00 0.00 C ATOM 59 O GLY A 5 11.117 7.724 -16.341 1.00 0.00 O ATOM 0 H GLY A 5 10.916 10.489 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.626 9.715 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.078 9.565 -17.875 1.00 0.00 H new ATOM 63 N LEU A 6 9.065 7.752 -15.398 1.00 0.00 N ATOM 64 CA LEU A 6 9.243 6.485 -14.688 1.00 0.00 C ATOM 65 C LEU A 6 8.254 5.429 -15.189 1.00 0.00 C ATOM 66 O LEU A 6 7.266 5.757 -15.851 1.00 0.00 O ATOM 67 CB LEU A 6 9.072 6.696 -13.180 1.00 0.00 C ATOM 68 CG LEU A 6 10.280 7.320 -12.472 1.00 0.00 C ATOM 69 CD1 LEU A 6 10.178 8.840 -12.472 1.00 0.00 C ATOM 70 CD2 LEU A 6 10.403 6.791 -11.050 1.00 0.00 C ATOM 0 H LEU A 6 8.157 8.193 -15.249 1.00 0.00 H new ATOM 0 HA LEU A 6 10.253 6.125 -14.885 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.203 7.333 -13.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.855 5.734 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 6 11.179 7.038 -13.020 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.045 9.263 -11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.146 9.203 -13.499 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.270 9.144 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.267 7.247 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.501 7.038 -10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.530 5.709 -11.074 1.00 0.00 H new ATOM 82 N VAL A 7 8.530 4.163 -14.868 1.00 0.00 N ATOM 83 CA VAL A 7 7.672 3.053 -15.287 1.00 0.00 C ATOM 84 C VAL A 7 6.738 2.615 -14.158 1.00 0.00 C ATOM 85 O VAL A 7 7.161 2.476 -13.008 1.00 0.00 O ATOM 86 CB VAL A 7 8.502 1.831 -15.747 1.00 0.00 C ATOM 87 CG1 VAL A 7 7.604 0.764 -16.360 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.582 2.250 -16.735 1.00 0.00 C ATOM 0 H VAL A 7 9.342 3.881 -14.319 1.00 0.00 H new ATOM 0 HA VAL A 7 7.081 3.420 -16.126 1.00 0.00 H new ATOM 0 HB VAL A 7 8.987 1.406 -14.868 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.211 -0.085 -16.676 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.875 0.434 -15.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.083 1.179 -17.223 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.152 1.374 -17.044 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.118 2.708 -17.609 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.250 2.969 -16.261 1.00 0.00 H new ATOM 98 N GLN A 8 5.469 2.389 -14.502 1.00 0.00 N ATOM 99 CA GLN A 8 4.470 1.958 -13.526 1.00 0.00 C ATOM 100 C GLN A 8 4.252 0.446 -13.594 1.00 0.00 C ATOM 101 O GLN A 8 4.280 -0.149 -14.674 1.00 0.00 O ATOM 102 CB GLN A 8 3.142 2.693 -13.749 1.00 0.00 C ATOM 103 CG GLN A 8 2.517 2.449 -15.116 1.00 0.00 C ATOM 104 CD GLN A 8 1.083 1.959 -15.026 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.166 2.590 -15.552 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.879 0.829 -14.357 1.00 0.00 N ATOM 0 H GLN A 8 5.110 2.498 -15.450 1.00 0.00 H new ATOM 0 HA GLN A 8 4.846 2.207 -12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.435 2.385 -12.978 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.306 3.763 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.545 3.373 -15.694 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.114 1.715 -15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.667 0.336 -13.936 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.065 0.454 -14.265 1.00 0.00 H new ATOM 115 N ARG A 9 4.033 -0.165 -12.431 1.00 0.00 N ATOM 116 CA ARG A 9 3.806 -1.608 -12.340 1.00 0.00 C ATOM 117 C ARG A 9 2.891 -1.946 -11.160 1.00 0.00 C ATOM 118 O ARG A 9 2.909 -1.268 -10.134 1.00 0.00 O ATOM 119 CB ARG A 9 5.140 -2.351 -12.200 1.00 0.00 C ATOM 120 CG ARG A 9 6.071 -1.760 -11.149 1.00 0.00 C ATOM 121 CD ARG A 9 6.072 -2.584 -9.870 1.00 0.00 C ATOM 122 NE ARG A 9 7.383 -2.596 -9.222 1.00 0.00 N ATOM 123 CZ ARG A 9 7.910 -1.551 -8.574 1.00 0.00 C ATOM 124 NH1 ARG A 9 7.257 -0.391 -8.512 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.101 -1.662 -7.994 1.00 0.00 N ATOM 0 H ARG A 9 4.008 0.319 -11.534 1.00 0.00 H new ATOM 0 HA ARG A 9 3.315 -1.930 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.939 -3.392 -11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.649 -2.348 -13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.084 -1.707 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.764 -0.739 -10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.331 -2.181 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.772 -3.607 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 9 7.930 -3.456 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.346 -0.294 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.668 0.400 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.612 -2.543 -8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.504 -0.866 -7.500 1.00 0.00 H new ATOM 139 N CYS A 10 2.092 -3.003 -11.313 1.00 0.00 N ATOM 140 CA CYS A 10 1.171 -3.430 -10.259 1.00 0.00 C ATOM 141 C CYS A 10 1.844 -4.422 -9.312 1.00 0.00 C ATOM 142 O CYS A 10 2.381 -5.443 -9.749 1.00 0.00 O ATOM 143 CB CYS A 10 -0.083 -4.064 -10.868 1.00 0.00 C ATOM 144 SG CYS A 10 -1.606 -3.717 -9.958 1.00 0.00 S ATOM 0 H CYS A 10 2.064 -3.578 -12.155 1.00 0.00 H new ATOM 0 HA CYS A 10 0.884 -2.547 -9.689 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.196 -3.708 -11.892 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.058 -5.144 -10.920 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.608 -4.294 -10.553 1.00 0.00 H new ATOM 150 N VAL A 11 1.803 -4.121 -8.014 1.00 0.00 N ATOM 151 CA VAL A 11 2.400 -4.992 -7.004 1.00 0.00 C ATOM 152 C VAL A 11 1.330 -5.785 -6.261 1.00 0.00 C ATOM 153 O VAL A 11 0.370 -5.214 -5.737 1.00 0.00 O ATOM 154 CB VAL A 11 3.243 -4.204 -5.976 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.522 -3.685 -6.617 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.435 -3.065 -5.365 1.00 0.00 C ATOM 0 H VAL A 11 1.363 -3.281 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 11 3.058 -5.675 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 11 3.519 -4.884 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.102 -3.133 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.111 -4.525 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.271 -3.025 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.052 -2.527 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.116 -2.382 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.558 -3.471 -4.860 1.00 0.00 H new ATOM 166 N ILE A 12 1.507 -7.102 -6.211 1.00 0.00 N ATOM 167 CA ILE A 12 0.563 -7.975 -5.525 1.00 0.00 C ATOM 168 C ILE A 12 1.126 -8.408 -4.177 1.00 0.00 C ATOM 169 O ILE A 12 2.082 -9.180 -4.115 1.00 0.00 O ATOM 170 CB ILE A 12 0.235 -9.229 -6.369 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.127 -8.834 -7.806 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.900 -10.018 -5.727 1.00 0.00 C ATOM 173 CD1 ILE A 12 1.076 -8.670 -8.713 1.00 0.00 C ATOM 0 H ILE A 12 2.296 -7.587 -6.638 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.356 -7.409 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 12 1.121 -9.863 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.788 -9.592 -8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.687 -7.899 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.120 -10.898 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.604 -10.331 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.789 -9.390 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.743 -8.390 -9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.727 -7.891 -8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.625 -9.611 -8.763 1.00 0.00 H new ATOM 185 N ILE A 13 0.524 -7.909 -3.101 1.00 0.00 N ATOM 186 CA ILE A 13 0.958 -8.239 -1.747 1.00 0.00 C ATOM 187 C ILE A 13 -0.072 -9.127 -1.057 1.00 0.00 C ATOM 188 O ILE A 13 -1.270 -8.847 -1.097 1.00 0.00 O ATOM 189 CB ILE A 13 1.180 -6.967 -0.893 1.00 0.00 C ATOM 190 CG1 ILE A 13 2.073 -5.961 -1.631 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.791 -7.327 0.455 1.00 0.00 C ATOM 192 CD1 ILE A 13 1.496 -4.561 -1.675 1.00 0.00 C ATOM 0 H ILE A 13 -0.271 -7.271 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 13 1.905 -8.771 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 13 0.209 -6.502 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.048 -5.929 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.236 -6.311 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.940 -6.420 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.121 -7.999 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.751 -7.820 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.179 -3.903 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.534 -4.580 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.359 -4.192 -0.659 1.00 0.00 H new ATOM 204 N GLN A 14 0.399 -10.197 -0.423 1.00 0.00 N ATOM 205 CA GLN A 14 -0.489 -11.118 0.277 1.00 0.00 C ATOM 206 C GLN A 14 -0.300 -11.012 1.788 1.00 0.00 C ATOM 207 O GLN A 14 0.811 -11.161 2.298 1.00 0.00 O ATOM 208 CB GLN A 14 -0.259 -12.559 -0.194 1.00 0.00 C ATOM 209 CG GLN A 14 1.196 -13.004 -0.164 1.00 0.00 C ATOM 210 CD GLN A 14 1.894 -12.835 -1.503 1.00 0.00 C ATOM 211 OE1 GLN A 14 3.180 -12.499 -1.466 1.00 0.00 O flip ATOM 212 NE2 GLN A 14 1.288 -13.006 -2.560 1.00 0.00 N flip ATOM 0 H GLN A 14 1.387 -10.447 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.516 -10.840 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.845 -13.231 0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.637 -12.661 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.730 -12.431 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.244 -14.051 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.301 -13.263 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.773 -12.890 -3.450 1.00 0.00 H new ATOM 221 N LYS A 15 -1.398 -10.747 2.493 1.00 0.00 N ATOM 222 CA LYS A 15 -1.376 -10.615 3.947 1.00 0.00 C ATOM 223 C LYS A 15 -0.966 -11.929 4.613 1.00 0.00 C ATOM 224 O LYS A 15 -1.334 -13.011 4.148 1.00 0.00 O ATOM 225 CB LYS A 15 -2.754 -10.181 4.452 1.00 0.00 C ATOM 226 CG LYS A 15 -2.737 -9.607 5.859 1.00 0.00 C ATOM 227 CD LYS A 15 -3.649 -10.390 6.793 1.00 0.00 C ATOM 228 CE LYS A 15 -4.982 -9.681 7.004 1.00 0.00 C ATOM 229 NZ LYS A 15 -5.812 -9.661 5.763 1.00 0.00 N ATOM 0 H LYS A 15 -2.320 -10.619 2.076 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.639 -9.856 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.163 -9.435 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.427 -11.038 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.718 -9.622 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.052 -8.564 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.826 -11.383 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.154 -10.528 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.535 -10.179 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.800 -8.658 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.709 -9.169 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.297 -9.163 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.009 -10.637 5.462 1.00 0.00 H new ATOM 243 N ASP A 16 -0.202 -11.824 5.699 1.00 0.00 N ATOM 244 CA ASP A 16 0.265 -12.999 6.430 1.00 0.00 C ATOM 245 C ASP A 16 0.129 -12.796 7.941 1.00 0.00 C ATOM 246 O ASP A 16 -0.378 -11.766 8.394 1.00 0.00 O ATOM 247 CB ASP A 16 1.728 -13.286 6.071 1.00 0.00 C ATOM 248 CG ASP A 16 1.997 -14.762 5.840 1.00 0.00 C ATOM 249 OD1 ASP A 16 1.702 -15.570 6.746 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.503 -15.106 4.753 1.00 0.00 O ATOM 0 H ASP A 16 0.107 -10.935 6.092 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.354 -13.850 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.993 -12.728 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.372 -12.925 6.873 1.00 0.00 H new ATOM 255 N ASP A 17 0.595 -13.781 8.714 1.00 0.00 N ATOM 256 CA ASP A 17 0.541 -13.711 10.173 1.00 0.00 C ATOM 257 C ASP A 17 1.277 -12.470 10.685 1.00 0.00 C ATOM 258 O ASP A 17 0.873 -11.869 11.682 1.00 0.00 O ATOM 259 CB ASP A 17 1.152 -14.974 10.793 1.00 0.00 C ATOM 260 CG ASP A 17 0.184 -16.146 10.819 1.00 0.00 C ATOM 261 OD1 ASP A 17 -0.491 -16.389 9.795 1.00 0.00 O ATOM 262 OD2 ASP A 17 0.105 -16.826 11.864 1.00 0.00 O ATOM 0 H ASP A 17 1.014 -14.637 8.351 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.506 -13.642 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.041 -15.256 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.476 -14.754 11.810 1.00 0.00 H new ATOM 267 N ASN A 18 2.353 -12.089 9.992 1.00 0.00 N ATOM 268 CA ASN A 18 3.139 -10.914 10.373 1.00 0.00 C ATOM 269 C ASN A 18 2.734 -9.675 9.561 1.00 0.00 C ATOM 270 O ASN A 18 3.443 -8.666 9.571 1.00 0.00 O ATOM 271 CB ASN A 18 4.637 -11.190 10.187 1.00 0.00 C ATOM 272 CG ASN A 18 5.089 -12.457 10.894 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.950 -12.584 12.110 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.634 -13.401 10.134 1.00 0.00 N ATOM 0 H ASN A 18 2.699 -12.576 9.166 1.00 0.00 H new ATOM 0 HA ASN A 18 2.936 -10.711 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.858 -11.273 9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.209 -10.343 10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.956 -14.272 10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.730 -13.254 9.129 1.00 0.00 H new ATOM 281 N GLY A 19 1.595 -9.748 8.863 1.00 0.00 N ATOM 282 CA GLY A 19 1.136 -8.622 8.069 1.00 0.00 C ATOM 283 C GLY A 19 1.966 -8.420 6.813 1.00 0.00 C ATOM 284 O GLY A 19 2.800 -9.263 6.468 1.00 0.00 O ATOM 0 H GLY A 19 0.987 -10.567 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.094 -8.778 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.172 -7.716 8.674 1.00 0.00 H new ATOM 288 N PHE A 20 1.744 -7.298 6.129 1.00 0.00 N ATOM 289 CA PHE A 20 2.484 -6.983 4.906 1.00 0.00 C ATOM 290 C PHE A 20 3.935 -6.630 5.229 1.00 0.00 C ATOM 291 O PHE A 20 4.862 -7.154 4.608 1.00 0.00 O ATOM 292 CB PHE A 20 1.825 -5.822 4.153 1.00 0.00 C ATOM 293 CG PHE A 20 0.332 -5.954 4.014 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.232 -7.067 3.410 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.506 -4.959 4.490 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.603 -7.184 3.285 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.876 -5.071 4.367 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.427 -6.184 3.765 1.00 0.00 C ATOM 0 H PHE A 20 1.059 -6.593 6.400 1.00 0.00 H new ATOM 0 HA PHE A 20 2.468 -7.868 4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.051 -4.891 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.267 -5.749 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.407 -7.851 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.082 -4.085 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.030 -8.056 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.517 -4.287 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.499 -6.273 3.669 1.00 0.00 H new ATOM 308 N GLY A 21 4.118 -5.744 6.211 1.00 0.00 N ATOM 309 CA GLY A 21 5.453 -5.334 6.612 1.00 0.00 C ATOM 310 C GLY A 21 6.013 -4.226 5.742 1.00 0.00 C ATOM 311 O GLY A 21 7.111 -4.352 5.201 1.00 0.00 O ATOM 0 H GLY A 21 3.362 -5.304 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.429 -4.999 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.120 -6.195 6.571 1.00 0.00 H new ATOM 315 N LEU A 22 5.261 -3.133 5.609 1.00 0.00 N ATOM 316 CA LEU A 22 5.698 -1.996 4.803 1.00 0.00 C ATOM 317 C LEU A 22 5.130 -0.686 5.351 1.00 0.00 C ATOM 318 O LEU A 22 3.963 -0.618 5.745 1.00 0.00 O ATOM 319 CB LEU A 22 5.292 -2.180 3.337 1.00 0.00 C ATOM 320 CG LEU A 22 3.853 -2.651 3.105 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.915 -1.459 2.966 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.778 -3.544 1.873 1.00 0.00 C ATOM 0 H LEU A 22 4.348 -3.012 6.049 1.00 0.00 H new ATOM 0 HA LEU A 22 6.786 -1.947 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.434 -1.232 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.970 -2.900 2.878 1.00 0.00 H new ATOM 0 HG LEU A 22 3.536 -3.233 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.898 -1.814 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.948 -0.862 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.227 -0.847 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.749 -3.870 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.114 -2.987 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.417 -4.415 2.016 1.00 0.00 H new ATOM 334 N THR A 23 5.967 0.351 5.371 1.00 0.00 N ATOM 335 CA THR A 23 5.558 1.662 5.866 1.00 0.00 C ATOM 336 C THR A 23 5.454 2.657 4.714 1.00 0.00 C ATOM 337 O THR A 23 6.425 2.882 3.990 1.00 0.00 O ATOM 338 CB THR A 23 6.549 2.172 6.917 1.00 0.00 C ATOM 339 OG1 THR A 23 7.043 1.103 7.709 1.00 0.00 O ATOM 340 CG2 THR A 23 5.952 3.198 7.856 1.00 0.00 C ATOM 0 H THR A 23 6.934 0.307 5.049 1.00 0.00 H new ATOM 0 HA THR A 23 4.578 1.563 6.332 1.00 0.00 H new ATOM 0 HB THR A 23 7.350 2.644 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.675 1.452 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.707 3.517 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.610 4.060 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.109 2.757 8.388 1.00 0.00 H new ATOM 348 N VAL A 24 4.267 3.237 4.540 1.00 0.00 N ATOM 349 CA VAL A 24 4.030 4.197 3.464 1.00 0.00 C ATOM 350 C VAL A 24 3.601 5.566 3.995 1.00 0.00 C ATOM 351 O VAL A 24 3.091 5.682 5.112 1.00 0.00 O ATOM 352 CB VAL A 24 2.958 3.675 2.483 1.00 0.00 C ATOM 353 CG1 VAL A 24 3.388 2.350 1.869 1.00 0.00 C ATOM 354 CG2 VAL A 24 1.609 3.534 3.179 1.00 0.00 C ATOM 0 H VAL A 24 3.455 3.058 5.131 1.00 0.00 H new ATOM 0 HA VAL A 24 4.979 4.314 2.941 1.00 0.00 H new ATOM 0 HB VAL A 24 2.851 4.404 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.618 2.001 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.324 2.487 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.531 1.612 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.870 3.165 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.699 2.831 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.293 4.505 3.560 1.00 0.00 H new ATOM 364 N SER A 25 3.809 6.597 3.175 1.00 0.00 N ATOM 365 CA SER A 25 3.448 7.967 3.535 1.00 0.00 C ATOM 366 C SER A 25 2.835 8.696 2.336 1.00 0.00 C ATOM 367 O SER A 25 2.986 8.261 1.195 1.00 0.00 O ATOM 368 CB SER A 25 4.682 8.724 4.033 1.00 0.00 C ATOM 369 OG SER A 25 4.345 10.035 4.459 1.00 0.00 O ATOM 0 H SER A 25 4.229 6.507 2.250 1.00 0.00 H new ATOM 0 HA SER A 25 2.707 7.929 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.138 8.177 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.424 8.778 3.237 1.00 0.00 H new ATOM 0 HG SER A 25 5.152 10.494 4.773 1.00 0.00 H new ATOM 375 N GLY A 26 2.142 9.804 2.601 1.00 0.00 N ATOM 376 CA GLY A 26 1.518 10.569 1.529 1.00 0.00 C ATOM 377 C GLY A 26 0.053 10.222 1.352 1.00 0.00 C ATOM 378 O GLY A 26 -0.610 9.821 2.309 1.00 0.00 O ATOM 0 H GLY A 26 2.001 10.185 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.614 11.634 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.049 10.382 0.596 1.00 0.00 H new ATOM 382 N ASP A 27 -0.461 10.370 0.130 1.00 0.00 N ATOM 383 CA ASP A 27 -1.862 10.057 -0.137 1.00 0.00 C ATOM 384 C ASP A 27 -2.070 9.577 -1.574 1.00 0.00 C ATOM 385 O ASP A 27 -1.999 8.377 -1.828 1.00 0.00 O ATOM 386 CB ASP A 27 -2.752 11.266 0.174 1.00 0.00 C ATOM 387 CG ASP A 27 -4.220 10.997 -0.101 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.814 10.162 0.614 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.774 11.621 -1.030 1.00 0.00 O ATOM 0 H ASP A 27 0.065 10.700 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.151 9.238 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.627 11.544 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.424 12.117 -0.423 1.00 0.00 H new ATOM 394 N ASN A 28 -2.325 10.497 -2.514 1.00 0.00 N ATOM 395 CA ASN A 28 -2.528 10.100 -3.909 1.00 0.00 C ATOM 396 C ASN A 28 -1.384 9.184 -4.341 1.00 0.00 C ATOM 397 O ASN A 28 -1.602 8.013 -4.648 1.00 0.00 O ATOM 398 CB ASN A 28 -2.630 11.319 -4.833 1.00 0.00 C ATOM 399 CG ASN A 28 -3.976 11.403 -5.531 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.262 10.630 -6.444 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.812 12.346 -5.105 1.00 0.00 N ATOM 0 H ASN A 28 -2.394 11.499 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.473 9.563 -3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.467 12.227 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.838 11.273 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.729 12.448 -5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.536 12.967 -4.344 1.00 0.00 H new ATOM 408 N PRO A 29 -0.137 9.690 -4.323 1.00 0.00 N ATOM 409 CA PRO A 29 1.036 8.910 -4.664 1.00 0.00 C ATOM 410 C PRO A 29 1.662 8.295 -3.412 1.00 0.00 C ATOM 411 O PRO A 29 2.783 8.649 -3.033 1.00 0.00 O ATOM 412 CB PRO A 29 1.950 9.971 -5.269 1.00 0.00 C ATOM 413 CG PRO A 29 1.635 11.224 -4.506 1.00 0.00 C ATOM 414 CD PRO A 29 0.242 11.060 -3.934 1.00 0.00 C ATOM 0 HA PRO A 29 0.835 8.070 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.000 9.696 -5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.759 10.098 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.362 11.383 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.683 12.095 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.237 11.185 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.448 11.798 -4.343 1.00 0.00 H new ATOM 422 N VAL A 30 0.922 7.394 -2.752 1.00 0.00 N ATOM 423 CA VAL A 30 1.410 6.762 -1.518 1.00 0.00 C ATOM 424 C VAL A 30 2.845 6.262 -1.711 1.00 0.00 C ATOM 425 O VAL A 30 3.100 5.408 -2.558 1.00 0.00 O ATOM 426 CB VAL A 30 0.522 5.587 -1.046 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.960 5.115 0.332 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.948 5.978 -1.024 1.00 0.00 C ATOM 0 H VAL A 30 -0.006 7.089 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 30 1.374 7.530 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 30 0.642 4.770 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.326 4.288 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.997 4.782 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.871 5.936 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.545 5.130 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.091 6.816 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.262 6.268 -2.027 1.00 0.00 H new ATOM 438 N PHE A 31 3.782 6.813 -0.945 1.00 0.00 N ATOM 439 CA PHE A 31 5.187 6.432 -1.068 1.00 0.00 C ATOM 440 C PHE A 31 5.609 5.436 0.009 1.00 0.00 C ATOM 441 O PHE A 31 5.474 5.701 1.205 1.00 0.00 O ATOM 442 CB PHE A 31 6.079 7.673 -1.003 1.00 0.00 C ATOM 443 CG PHE A 31 7.376 7.518 -1.748 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.476 6.934 -1.139 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.492 7.953 -3.058 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.668 6.788 -1.823 1.00 0.00 C ATOM 447 CE2 PHE A 31 8.681 7.811 -3.746 1.00 0.00 C ATOM 448 CZ PHE A 31 9.771 7.228 -3.128 1.00 0.00 C ATOM 0 H PHE A 31 3.596 7.522 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 31 5.306 5.944 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.534 8.524 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.294 7.902 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.401 6.589 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.643 8.408 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.518 6.331 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.759 8.155 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.702 7.117 -3.665 1.00 0.00 H new ATOM 458 N VAL A 32 6.142 4.298 -0.432 1.00 0.00 N ATOM 459 CA VAL A 32 6.614 3.257 0.476 1.00 0.00 C ATOM 460 C VAL A 32 8.048 3.546 0.902 1.00 0.00 C ATOM 461 O VAL A 32 8.930 3.707 0.057 1.00 0.00 O ATOM 462 CB VAL A 32 6.557 1.857 -0.179 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.865 0.771 0.843 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.201 1.618 -0.832 1.00 0.00 C ATOM 0 H VAL A 32 6.258 4.074 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 32 5.955 3.260 1.344 1.00 0.00 H new ATOM 0 HB VAL A 32 7.318 1.816 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.819 -0.206 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.863 0.928 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.133 0.812 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.185 0.627 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.417 1.684 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.029 2.372 -1.601 1.00 0.00 H new ATOM 474 N GLN A 33 8.274 3.618 2.213 1.00 0.00 N ATOM 475 CA GLN A 33 9.603 3.897 2.750 1.00 0.00 C ATOM 476 C GLN A 33 10.310 2.609 3.175 1.00 0.00 C ATOM 477 O GLN A 33 11.255 2.175 2.518 1.00 0.00 O ATOM 478 CB GLN A 33 9.507 4.862 3.934 1.00 0.00 C ATOM 479 CG GLN A 33 10.075 6.241 3.640 1.00 0.00 C ATOM 480 CD GLN A 33 11.478 6.420 4.190 1.00 0.00 C ATOM 481 OE1 GLN A 33 11.705 6.295 5.393 1.00 0.00 O ATOM 482 NE2 GLN A 33 12.429 6.716 3.311 1.00 0.00 N ATOM 0 H GLN A 33 7.553 3.487 2.922 1.00 0.00 H new ATOM 0 HA GLN A 33 10.193 4.362 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.462 4.963 4.226 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.036 4.434 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.087 6.403 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.420 6.999 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.198 6.811 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.390 6.849 3.625 1.00 0.00 H new ATOM 491 N SER A 34 9.850 2.003 4.273 1.00 0.00 N ATOM 492 CA SER A 34 10.447 0.766 4.775 1.00 0.00 C ATOM 493 C SER A 34 9.620 -0.446 4.360 1.00 0.00 C ATOM 494 O SER A 34 8.387 -0.402 4.377 1.00 0.00 O ATOM 495 CB SER A 34 10.579 0.812 6.300 1.00 0.00 C ATOM 496 OG SER A 34 11.855 1.294 6.689 1.00 0.00 O ATOM 0 H SER A 34 9.068 2.349 4.829 1.00 0.00 H new ATOM 0 HA SER A 34 11.441 0.673 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.802 1.454 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.423 -0.185 6.712 1.00 0.00 H new ATOM 0 HG SER A 34 11.912 1.315 7.667 1.00 0.00 H new ATOM 502 N VAL A 35 10.307 -1.524 3.985 1.00 0.00 N ATOM 503 CA VAL A 35 9.646 -2.752 3.560 1.00 0.00 C ATOM 504 C VAL A 35 10.344 -3.983 4.142 1.00 0.00 C ATOM 505 O VAL A 35 11.564 -3.992 4.318 1.00 0.00 O ATOM 506 CB VAL A 35 9.605 -2.851 2.017 1.00 0.00 C ATOM 507 CG1 VAL A 35 11.011 -2.865 1.430 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.824 -4.075 1.571 1.00 0.00 C ATOM 0 H VAL A 35 11.326 -1.569 3.968 1.00 0.00 H new ATOM 0 HA VAL A 35 8.624 -2.722 3.937 1.00 0.00 H new ATOM 0 HB VAL A 35 9.092 -1.966 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.951 -2.935 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.530 -1.947 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.559 -3.723 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.810 -4.121 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.298 -4.973 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.802 -4.010 1.944 1.00 0.00 H new ATOM 518 N LYS A 36 9.558 -5.019 4.440 1.00 0.00 N ATOM 519 CA LYS A 36 10.093 -6.258 5.001 1.00 0.00 C ATOM 520 C LYS A 36 11.050 -6.929 4.022 1.00 0.00 C ATOM 521 O LYS A 36 10.689 -7.188 2.874 1.00 0.00 O ATOM 522 CB LYS A 36 8.953 -7.221 5.349 1.00 0.00 C ATOM 523 CG LYS A 36 8.638 -7.283 6.833 1.00 0.00 C ATOM 524 CD LYS A 36 7.937 -8.583 7.197 1.00 0.00 C ATOM 525 CE LYS A 36 8.213 -8.978 8.641 1.00 0.00 C ATOM 526 NZ LYS A 36 8.462 -10.442 8.785 1.00 0.00 N ATOM 0 H LYS A 36 8.547 -5.023 4.301 1.00 0.00 H new ATOM 0 HA LYS A 36 10.641 -6.007 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.056 -6.919 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.214 -8.220 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.560 -7.192 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.007 -6.438 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.863 -8.473 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.272 -9.378 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.078 -8.426 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.365 -8.692 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.645 -10.666 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.627 -10.970 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.287 -10.712 8.213 1.00 0.00 H new ATOM 540 N GLU A 37 12.267 -7.210 4.486 1.00 0.00 N ATOM 541 CA GLU A 37 13.280 -7.858 3.652 1.00 0.00 C ATOM 542 C GLU A 37 13.064 -9.372 3.578 1.00 0.00 C ATOM 543 O GLU A 37 13.474 -10.014 2.611 1.00 0.00 O ATOM 544 CB GLU A 37 14.682 -7.559 4.192 1.00 0.00 C ATOM 545 CG GLU A 37 15.177 -6.159 3.859 1.00 0.00 C ATOM 546 CD GLU A 37 15.821 -5.467 5.045 1.00 0.00 C ATOM 547 OE1 GLU A 37 15.090 -4.821 5.826 1.00 0.00 O ATOM 548 OE2 GLU A 37 17.058 -5.566 5.191 1.00 0.00 O ATOM 0 H GLU A 37 12.576 -6.999 5.435 1.00 0.00 H new ATOM 0 HA GLU A 37 13.186 -7.454 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.680 -7.687 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.382 -8.289 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.897 -6.218 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.340 -5.558 3.503 1.00 0.00 H new ATOM 555 N ASP A 38 12.425 -9.939 4.604 1.00 0.00 N ATOM 556 CA ASP A 38 12.167 -11.378 4.649 1.00 0.00 C ATOM 557 C ASP A 38 10.693 -11.666 4.951 1.00 0.00 C ATOM 558 O ASP A 38 10.368 -12.394 5.891 1.00 0.00 O ATOM 559 CB ASP A 38 13.074 -12.048 5.694 1.00 0.00 C ATOM 560 CG ASP A 38 12.817 -11.551 7.109 1.00 0.00 C ATOM 561 OD1 ASP A 38 12.936 -10.329 7.347 1.00 0.00 O ATOM 562 OD2 ASP A 38 12.498 -12.386 7.980 1.00 0.00 O ATOM 0 H ASP A 38 12.078 -9.424 5.413 1.00 0.00 H new ATOM 0 HA ASP A 38 12.394 -11.795 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.922 -13.127 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.116 -11.864 5.434 1.00 0.00 H new ATOM 567 N GLY A 39 9.802 -11.090 4.144 1.00 0.00 N ATOM 568 CA GLY A 39 8.377 -11.299 4.338 1.00 0.00 C ATOM 569 C GLY A 39 7.591 -11.203 3.045 1.00 0.00 C ATOM 570 O GLY A 39 8.173 -11.045 1.965 1.00 0.00 O ATOM 0 H GLY A 39 10.043 -10.483 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.215 -12.280 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.998 -10.560 5.044 1.00 0.00 H new ATOM 574 N ALA A 40 6.266 -11.297 3.158 1.00 0.00 N ATOM 575 CA ALA A 40 5.381 -11.217 1.996 1.00 0.00 C ATOM 576 C ALA A 40 5.688 -9.989 1.140 1.00 0.00 C ATOM 577 O ALA A 40 5.611 -10.050 -0.086 1.00 0.00 O ATOM 578 CB ALA A 40 3.924 -11.202 2.435 1.00 0.00 C ATOM 0 H ALA A 40 5.781 -11.429 4.045 1.00 0.00 H new ATOM 0 HA ALA A 40 5.558 -12.103 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.280 -11.142 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.701 -12.115 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.746 -10.338 3.075 1.00 0.00 H new ATOM 584 N ALA A 41 6.038 -8.877 1.795 1.00 0.00 N ATOM 585 CA ALA A 41 6.364 -7.639 1.091 1.00 0.00 C ATOM 586 C ALA A 41 7.458 -7.873 0.052 1.00 0.00 C ATOM 587 O ALA A 41 7.234 -7.692 -1.146 1.00 0.00 O ATOM 588 CB ALA A 41 6.787 -6.558 2.078 1.00 0.00 C ATOM 0 H ALA A 41 6.102 -8.812 2.811 1.00 0.00 H new ATOM 0 HA ALA A 41 5.469 -7.301 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.026 -5.643 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.973 -6.364 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.666 -6.893 2.630 1.00 0.00 H new ATOM 594 N MET A 42 8.638 -8.291 0.512 1.00 0.00 N ATOM 595 CA MET A 42 9.754 -8.563 -0.390 1.00 0.00 C ATOM 596 C MET A 42 9.447 -9.765 -1.280 1.00 0.00 C ATOM 597 O MET A 42 9.797 -9.771 -2.461 1.00 0.00 O ATOM 598 CB MET A 42 11.040 -8.808 0.398 1.00 0.00 C ATOM 599 CG MET A 42 12.109 -7.751 0.166 1.00 0.00 C ATOM 600 SD MET A 42 13.764 -8.454 0.031 1.00 0.00 S ATOM 601 CE MET A 42 14.514 -7.346 -1.160 1.00 0.00 C ATOM 0 H MET A 42 8.844 -8.447 1.499 1.00 0.00 H new ATOM 0 HA MET A 42 9.896 -7.687 -1.023 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.803 -8.845 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.442 -9.784 0.127 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.877 -7.200 -0.745 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.089 -7.034 0.986 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.543 -7.654 -1.346 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.951 -7.379 -2.093 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.505 -6.329 -0.767 1.00 0.00 H new ATOM 611 N ARG A 43 8.780 -10.777 -0.713 1.00 0.00 N ATOM 612 CA ARG A 43 8.418 -11.973 -1.477 1.00 0.00 C ATOM 613 C ARG A 43 7.535 -11.608 -2.672 1.00 0.00 C ATOM 614 O ARG A 43 7.615 -12.241 -3.726 1.00 0.00 O ATOM 615 CB ARG A 43 7.694 -12.990 -0.588 1.00 0.00 C ATOM 616 CG ARG A 43 8.507 -14.245 -0.311 1.00 0.00 C ATOM 617 CD ARG A 43 7.891 -15.469 -0.976 1.00 0.00 C ATOM 618 NE ARG A 43 8.890 -16.275 -1.679 1.00 0.00 N ATOM 619 CZ ARG A 43 9.732 -17.121 -1.078 1.00 0.00 C ATOM 620 NH1 ARG A 43 9.714 -17.267 0.248 1.00 0.00 N ATOM 621 NH2 ARG A 43 10.600 -17.820 -1.802 1.00 0.00 N ATOM 0 H ARG A 43 8.483 -10.791 0.263 1.00 0.00 H new ATOM 0 HA ARG A 43 9.340 -12.423 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.440 -12.515 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.755 -13.273 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.526 -14.107 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.571 -14.408 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.398 -16.081 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.122 -15.150 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 43 8.947 -16.185 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.054 -16.731 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.360 -17.915 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.623 -17.711 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.243 -18.466 -1.344 1.00 0.00 H new ATOM 635 N ALA A 44 6.693 -10.585 -2.502 1.00 0.00 N ATOM 636 CA ALA A 44 5.797 -10.136 -3.564 1.00 0.00 C ATOM 637 C ALA A 44 6.508 -9.223 -4.572 1.00 0.00 C ATOM 638 O ALA A 44 5.990 -8.980 -5.664 1.00 0.00 O ATOM 639 CB ALA A 44 4.599 -9.416 -2.964 1.00 0.00 C ATOM 0 H ALA A 44 6.615 -10.053 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 44 5.461 -11.021 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.936 -9.085 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.060 -10.095 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.941 -8.552 -2.395 1.00 0.00 H new ATOM 645 N GLY A 45 7.690 -8.719 -4.206 1.00 0.00 N ATOM 646 CA GLY A 45 8.439 -7.842 -5.096 1.00 0.00 C ATOM 647 C GLY A 45 8.413 -6.385 -4.654 1.00 0.00 C ATOM 648 O GLY A 45 8.562 -5.483 -5.481 1.00 0.00 O ATOM 0 H GLY A 45 8.141 -8.903 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.473 -8.182 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.028 -7.918 -6.103 1.00 0.00 H new ATOM 652 N VAL A 46 8.226 -6.155 -3.352 1.00 0.00 N ATOM 653 CA VAL A 46 8.183 -4.801 -2.806 1.00 0.00 C ATOM 654 C VAL A 46 9.555 -4.383 -2.279 1.00 0.00 C ATOM 655 O VAL A 46 10.237 -5.166 -1.613 1.00 0.00 O ATOM 656 CB VAL A 46 7.142 -4.676 -1.672 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.981 -3.224 -1.242 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.802 -5.258 -2.102 1.00 0.00 C ATOM 0 H VAL A 46 8.102 -6.892 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 46 7.890 -4.139 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 46 7.505 -5.247 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.243 -3.161 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.937 -2.842 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.648 -2.628 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.084 -5.159 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.435 -4.720 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.926 -6.312 -2.350 1.00 0.00 H new ATOM 668 N GLN A 47 9.950 -3.147 -2.584 1.00 0.00 N ATOM 669 CA GLN A 47 11.238 -2.615 -2.147 1.00 0.00 C ATOM 670 C GLN A 47 11.080 -1.233 -1.514 1.00 0.00 C ATOM 671 O GLN A 47 10.088 -0.539 -1.753 1.00 0.00 O ATOM 672 CB GLN A 47 12.207 -2.533 -3.330 1.00 0.00 C ATOM 673 CG GLN A 47 13.480 -3.344 -3.140 1.00 0.00 C ATOM 674 CD GLN A 47 14.522 -3.044 -4.201 1.00 0.00 C ATOM 675 OE1 GLN A 47 15.334 -2.132 -4.046 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.503 -3.806 -5.289 1.00 0.00 N ATOM 0 H GLN A 47 9.393 -2.494 -3.135 1.00 0.00 H new ATOM 0 HA GLN A 47 11.641 -3.294 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.698 -2.880 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.474 -1.489 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.898 -3.134 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.237 -4.406 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.813 -4.552 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.179 -3.645 -6.036 1.00 0.00 H new ATOM 685 N THR A 48 12.066 -0.840 -0.708 1.00 0.00 N ATOM 686 CA THR A 48 12.047 0.460 -0.037 1.00 0.00 C ATOM 687 C THR A 48 12.108 1.603 -1.050 1.00 0.00 C ATOM 688 O THR A 48 13.108 1.767 -1.753 1.00 0.00 O ATOM 689 CB THR A 48 13.218 0.577 0.948 1.00 0.00 C ATOM 690 OG1 THR A 48 14.426 0.110 0.361 1.00 0.00 O ATOM 691 CG2 THR A 48 13.000 -0.182 2.241 1.00 0.00 C ATOM 0 H THR A 48 12.890 -1.405 -0.503 1.00 0.00 H new ATOM 0 HA THR A 48 11.109 0.534 0.514 1.00 0.00 H new ATOM 0 HB THR A 48 13.285 1.639 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.496 0.448 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.867 -0.054 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.112 0.203 2.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.863 -1.241 2.023 1.00 0.00 H new ATOM 699 N GLY A 49 11.036 2.391 -1.116 1.00 0.00 N ATOM 700 CA GLY A 49 10.991 3.513 -2.039 1.00 0.00 C ATOM 701 C GLY A 49 10.177 3.219 -3.284 1.00 0.00 C ATOM 702 O GLY A 49 10.740 2.947 -4.348 1.00 0.00 O ATOM 0 H GLY A 49 10.198 2.272 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.568 4.379 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.007 3.779 -2.330 1.00 0.00 H new ATOM 706 N ASP A 50 8.852 3.277 -3.157 1.00 0.00 N ATOM 707 CA ASP A 50 7.961 3.018 -4.288 1.00 0.00 C ATOM 708 C ASP A 50 6.745 3.946 -4.253 1.00 0.00 C ATOM 709 O ASP A 50 6.247 4.283 -3.179 1.00 0.00 O ATOM 710 CB ASP A 50 7.505 1.554 -4.277 1.00 0.00 C ATOM 711 CG ASP A 50 8.443 0.639 -5.048 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.762 0.955 -6.216 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.856 -0.398 -4.487 1.00 0.00 O ATOM 0 H ASP A 50 8.372 3.500 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 50 8.514 3.214 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.434 1.208 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.505 1.486 -4.706 1.00 0.00 H new ATOM 718 N ARG A 51 6.267 4.352 -5.432 1.00 0.00 N ATOM 719 CA ARG A 51 5.103 5.238 -5.526 1.00 0.00 C ATOM 720 C ARG A 51 3.829 4.435 -5.770 1.00 0.00 C ATOM 721 O ARG A 51 3.825 3.510 -6.574 1.00 0.00 O ATOM 722 CB ARG A 51 5.286 6.257 -6.657 1.00 0.00 C ATOM 723 CG ARG A 51 6.154 7.447 -6.284 1.00 0.00 C ATOM 724 CD ARG A 51 6.322 8.398 -7.461 1.00 0.00 C ATOM 725 NE ARG A 51 7.016 9.627 -7.078 1.00 0.00 N ATOM 726 CZ ARG A 51 8.337 9.716 -6.890 1.00 0.00 C ATOM 727 NH1 ARG A 51 9.118 8.652 -7.067 1.00 0.00 N ATOM 728 NH2 ARG A 51 8.878 10.875 -6.528 1.00 0.00 N ATOM 0 H ARG A 51 6.666 4.083 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 51 5.014 5.768 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.728 5.754 -7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.306 6.619 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.705 7.979 -5.445 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.132 7.097 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.879 7.899 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.342 8.647 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 51 6.457 10.470 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.710 7.761 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.125 8.728 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.286 11.695 -6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.885 10.945 -6.384 1.00 0.00 H new ATOM 742 N ILE A 52 2.749 4.796 -5.082 1.00 0.00 N ATOM 743 CA ILE A 52 1.475 4.102 -5.242 1.00 0.00 C ATOM 744 C ILE A 52 0.485 4.962 -6.023 1.00 0.00 C ATOM 745 O ILE A 52 0.187 6.096 -5.634 1.00 0.00 O ATOM 746 CB ILE A 52 0.864 3.703 -3.873 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.808 2.182 -3.732 1.00 0.00 C ATOM 748 CG2 ILE A 52 -0.532 4.297 -3.681 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.073 1.717 -2.593 1.00 0.00 C ATOM 0 H ILE A 52 2.731 5.563 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 52 1.673 3.189 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 52 1.512 4.111 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.442 1.751 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.818 1.801 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.926 3.995 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.474 5.385 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.193 3.936 -4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.067 0.628 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.305 2.119 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.092 2.069 -2.754 1.00 0.00 H new ATOM 761 N ILE A 53 -0.027 4.399 -7.114 1.00 0.00 N ATOM 762 CA ILE A 53 -0.999 5.079 -7.959 1.00 0.00 C ATOM 763 C ILE A 53 -2.405 4.522 -7.718 1.00 0.00 C ATOM 764 O ILE A 53 -3.390 5.257 -7.803 1.00 0.00 O ATOM 765 CB ILE A 53 -0.648 4.938 -9.457 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.789 5.404 -9.717 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.628 5.731 -10.314 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.424 4.754 -10.928 1.00 0.00 C ATOM 0 H ILE A 53 0.220 3.463 -7.435 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.972 6.136 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.725 3.886 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.793 6.486 -9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.397 5.189 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.364 5.619 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.639 5.357 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.582 6.785 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.440 5.130 -11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.452 3.673 -10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.839 4.990 -11.817 1.00 0.00 H new ATOM 780 N LYS A 54 -2.495 3.221 -7.417 1.00 0.00 N ATOM 781 CA LYS A 54 -3.790 2.585 -7.166 1.00 0.00 C ATOM 782 C LYS A 54 -3.666 1.451 -6.149 1.00 0.00 C ATOM 783 O LYS A 54 -2.582 0.898 -5.953 1.00 0.00 O ATOM 784 CB LYS A 54 -4.391 2.046 -8.472 1.00 0.00 C ATOM 785 CG LYS A 54 -4.195 2.960 -9.674 1.00 0.00 C ATOM 786 CD LYS A 54 -4.650 2.289 -10.961 1.00 0.00 C ATOM 787 CE LYS A 54 -4.920 3.304 -12.062 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.398 2.847 -13.381 1.00 0.00 N ATOM 0 H LYS A 54 -1.694 2.595 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.453 3.346 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.945 1.076 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.458 1.880 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.755 3.884 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.143 3.234 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.887 1.586 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.554 1.711 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.993 3.480 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.458 4.256 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.602 3.567 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.370 2.703 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.857 1.952 -13.645 1.00 0.00 H new ATOM 802 N VAL A 55 -4.786 1.106 -5.511 1.00 0.00 N ATOM 803 CA VAL A 55 -4.812 0.033 -4.517 1.00 0.00 C ATOM 804 C VAL A 55 -5.975 -0.923 -4.779 1.00 0.00 C ATOM 805 O VAL A 55 -7.143 -0.541 -4.668 1.00 0.00 O ATOM 806 CB VAL A 55 -4.914 0.587 -3.078 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.572 1.146 -2.627 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.006 1.646 -2.975 1.00 0.00 C ATOM 0 H VAL A 55 -5.688 1.556 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.871 -0.509 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.184 -0.235 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.661 1.532 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.822 0.355 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.270 1.952 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.056 2.019 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.778 2.470 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.965 1.207 -3.249 1.00 0.00 H new ATOM 818 N ASN A 56 -5.642 -2.166 -5.139 1.00 0.00 N ATOM 819 CA ASN A 56 -6.644 -3.191 -5.437 1.00 0.00 C ATOM 820 C ASN A 56 -7.541 -2.760 -6.601 1.00 0.00 C ATOM 821 O ASN A 56 -8.730 -3.084 -6.637 1.00 0.00 O ATOM 822 CB ASN A 56 -7.487 -3.495 -4.190 1.00 0.00 C ATOM 823 CG ASN A 56 -6.981 -4.706 -3.429 1.00 0.00 C ATOM 824 OD1 ASN A 56 -5.857 -5.162 -3.645 1.00 0.00 O ATOM 825 ND2 ASN A 56 -7.807 -5.240 -2.535 1.00 0.00 N ATOM 0 H ASN A 56 -4.678 -2.487 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.121 -4.100 -5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.481 -2.627 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.522 -3.663 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.518 -6.058 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.730 -4.832 -2.386 1.00 0.00 H new ATOM 832 N GLY A 57 -6.962 -2.017 -7.551 1.00 0.00 N ATOM 833 CA GLY A 57 -7.724 -1.544 -8.696 1.00 0.00 C ATOM 834 C GLY A 57 -8.365 -0.187 -8.448 1.00 0.00 C ATOM 835 O GLY A 57 -8.394 0.662 -9.340 1.00 0.00 O ATOM 0 H GLY A 57 -5.981 -1.737 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.067 -1.479 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.500 -2.270 -8.937 1.00 0.00 H new ATOM 839 N THR A 58 -8.876 0.017 -7.229 1.00 0.00 N ATOM 840 CA THR A 58 -9.517 1.276 -6.858 1.00 0.00 C ATOM 841 C THR A 58 -8.519 2.432 -6.930 1.00 0.00 C ATOM 842 O THR A 58 -7.499 2.431 -6.236 1.00 0.00 O ATOM 843 CB THR A 58 -10.114 1.177 -5.446 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.569 -0.143 -5.178 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.279 2.116 -5.214 1.00 0.00 C ATOM 0 H THR A 58 -8.856 -0.678 -6.483 1.00 0.00 H new ATOM 0 HA THR A 58 -10.322 1.471 -7.566 1.00 0.00 H new ATOM 0 HB THR A 58 -9.302 1.460 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.485 -0.109 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.650 1.991 -4.197 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.951 3.145 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.076 1.888 -5.921 1.00 0.00 H new ATOM 853 N LEU A 59 -8.822 3.413 -7.782 1.00 0.00 N ATOM 854 CA LEU A 59 -7.956 4.577 -7.956 1.00 0.00 C ATOM 855 C LEU A 59 -7.877 5.384 -6.666 1.00 0.00 C ATOM 856 O LEU A 59 -8.875 5.542 -5.961 1.00 0.00 O ATOM 857 CB LEU A 59 -8.462 5.467 -9.100 1.00 0.00 C ATOM 858 CG LEU A 59 -8.719 4.740 -10.424 1.00 0.00 C ATOM 859 CD1 LEU A 59 -10.145 4.981 -10.900 1.00 0.00 C ATOM 860 CD2 LEU A 59 -7.718 5.185 -11.480 1.00 0.00 C ATOM 0 H LEU A 59 -9.661 3.423 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.958 4.218 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.387 5.949 -8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.733 6.259 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.591 3.670 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.308 4.457 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.846 4.610 -10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.304 6.049 -11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.916 4.658 -12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.813 6.259 -11.642 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.707 4.957 -11.142 1.00 0.00 H new ATOM 872 N VAL A 60 -6.686 5.893 -6.361 1.00 0.00 N ATOM 873 CA VAL A 60 -6.481 6.685 -5.150 1.00 0.00 C ATOM 874 C VAL A 60 -6.621 8.186 -5.422 1.00 0.00 C ATOM 875 O VAL A 60 -6.029 9.008 -4.719 1.00 0.00 O ATOM 876 CB VAL A 60 -5.097 6.408 -4.524 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.949 4.934 -4.171 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.985 6.858 -5.460 1.00 0.00 C ATOM 0 H VAL A 60 -5.850 5.772 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.258 6.383 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.017 6.984 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.966 4.762 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.721 4.652 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.053 4.332 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.018 6.654 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.061 6.315 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.079 7.927 -5.649 1.00 0.00 H new ATOM 888 N THR A 61 -7.414 8.540 -6.437 1.00 0.00 N ATOM 889 CA THR A 61 -7.635 9.941 -6.790 1.00 0.00 C ATOM 890 C THR A 61 -8.147 10.739 -5.589 1.00 0.00 C ATOM 891 O THR A 61 -7.761 11.893 -5.393 1.00 0.00 O ATOM 892 CB THR A 61 -8.626 10.053 -7.955 1.00 0.00 C ATOM 893 OG1 THR A 61 -9.619 9.045 -7.874 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.967 9.937 -9.313 1.00 0.00 C ATOM 0 H THR A 61 -7.913 7.874 -7.027 1.00 0.00 H new ATOM 0 HA THR A 61 -6.677 10.361 -7.098 1.00 0.00 H new ATOM 0 HB THR A 61 -9.065 11.046 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.249 9.263 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.723 10.025 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.231 10.733 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.471 8.970 -9.395 1.00 0.00 H new ATOM 902 N HIS A 62 -9.015 10.115 -4.791 1.00 0.00 N ATOM 903 CA HIS A 62 -9.582 10.762 -3.609 1.00 0.00 C ATOM 904 C HIS A 62 -9.783 9.759 -2.465 1.00 0.00 C ATOM 905 O HIS A 62 -10.707 9.899 -1.659 1.00 0.00 O ATOM 906 CB HIS A 62 -10.915 11.429 -3.969 1.00 0.00 C ATOM 907 CG HIS A 62 -11.957 10.476 -4.484 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.912 9.560 -5.483 1.00 0.00 N flip ATOM 909 CD2 HIS A 62 -13.228 10.403 -3.961 1.00 0.00 C flip ATOM 910 CE1 HIS A 62 -13.143 8.956 -5.539 1.00 0.00 C flip ATOM 911 NE2 HIS A 62 -13.919 9.482 -4.611 1.00 0.00 N flip ATOM 0 H HIS A 62 -9.341 9.160 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.879 11.521 -3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.306 11.936 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.734 12.195 -4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.603 11.005 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -13.430 8.177 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.888 9.222 -4.426 1.00 0.00 H new ATOM 920 N SER A 63 -8.913 8.751 -2.403 1.00 0.00 N ATOM 921 CA SER A 63 -8.993 7.727 -1.366 1.00 0.00 C ATOM 922 C SER A 63 -8.324 8.198 -0.077 1.00 0.00 C ATOM 923 O SER A 63 -7.122 8.463 -0.054 1.00 0.00 O ATOM 924 CB SER A 63 -8.344 6.429 -1.855 1.00 0.00 C ATOM 925 OG SER A 63 -9.003 5.936 -3.010 1.00 0.00 O ATOM 0 H SER A 63 -8.144 8.623 -3.061 1.00 0.00 H new ATOM 0 HA SER A 63 -10.046 7.540 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.292 6.606 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.379 5.680 -1.064 1.00 0.00 H new ATOM 0 HG SER A 63 -8.570 5.108 -3.305 1.00 0.00 H new ATOM 931 N ASN A 64 -9.116 8.303 0.991 1.00 0.00 N ATOM 932 CA ASN A 64 -8.609 8.746 2.288 1.00 0.00 C ATOM 933 C ASN A 64 -7.668 7.709 2.901 1.00 0.00 C ATOM 934 O ASN A 64 -7.531 6.598 2.384 1.00 0.00 O ATOM 935 CB ASN A 64 -9.772 9.031 3.243 1.00 0.00 C ATOM 936 CG ASN A 64 -10.181 10.494 3.240 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.328 11.107 2.182 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.367 11.065 4.425 1.00 0.00 N ATOM 0 H ASN A 64 -10.113 8.087 0.982 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.043 9.664 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.628 8.417 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.488 8.738 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.642 12.046 4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.235 10.523 5.279 1.00 0.00 H new ATOM 945 N HIS A 65 -7.023 8.083 4.008 1.00 0.00 N ATOM 946 CA HIS A 65 -6.092 7.192 4.700 1.00 0.00 C ATOM 947 C HIS A 65 -6.780 5.884 5.092 1.00 0.00 C ATOM 948 O HIS A 65 -6.429 4.818 4.583 1.00 0.00 O ATOM 949 CB HIS A 65 -5.519 7.891 5.939 1.00 0.00 C ATOM 950 CG HIS A 65 -4.652 7.014 6.787 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.155 6.033 7.614 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.307 6.973 6.934 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.162 5.427 8.232 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.030 5.977 7.837 1.00 0.00 N ATOM 0 H HIS A 65 -7.129 8.999 4.444 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.274 6.952 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.940 8.757 5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.343 8.265 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.587 7.605 6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.258 4.618 8.941 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.099 5.706 8.152 1.00 0.00 H new ATOM 963 N LEU A 66 -7.762 5.975 5.994 1.00 0.00 N ATOM 964 CA LEU A 66 -8.506 4.797 6.452 1.00 0.00 C ATOM 965 C LEU A 66 -9.068 4.004 5.270 1.00 0.00 C ATOM 966 O LEU A 66 -9.150 2.777 5.328 1.00 0.00 O ATOM 967 CB LEU A 66 -9.650 5.203 7.394 1.00 0.00 C ATOM 968 CG LEU A 66 -9.390 4.965 8.888 1.00 0.00 C ATOM 969 CD1 LEU A 66 -9.253 3.477 9.185 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.151 5.721 9.347 1.00 0.00 C ATOM 0 H LEU A 66 -8.060 6.852 6.422 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.807 4.162 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.863 6.261 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.547 4.654 7.107 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.247 5.344 9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.069 3.334 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.172 2.964 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.419 3.067 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.986 5.538 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.285 5.378 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.294 6.789 9.181 1.00 0.00 H new ATOM 982 N GLU A 67 -9.448 4.709 4.198 1.00 0.00 N ATOM 983 CA GLU A 67 -9.994 4.065 3.004 1.00 0.00 C ATOM 984 C GLU A 67 -9.004 3.065 2.411 1.00 0.00 C ATOM 985 O GLU A 67 -9.364 1.923 2.122 1.00 0.00 O ATOM 986 CB GLU A 67 -10.360 5.111 1.947 1.00 0.00 C ATOM 987 CG GLU A 67 -11.837 5.473 1.934 1.00 0.00 C ATOM 988 CD GLU A 67 -12.144 6.646 1.023 1.00 0.00 C ATOM 989 OE1 GLU A 67 -12.094 6.471 -0.212 1.00 0.00 O ATOM 990 OE2 GLU A 67 -12.428 7.743 1.547 1.00 0.00 O ATOM 0 H GLU A 67 -9.386 5.725 4.136 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.893 3.527 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.775 6.014 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.078 4.735 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.416 4.607 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.157 5.712 2.948 1.00 0.00 H new ATOM 997 N VAL A 68 -7.757 3.500 2.230 1.00 0.00 N ATOM 998 CA VAL A 68 -6.720 2.640 1.666 1.00 0.00 C ATOM 999 C VAL A 68 -6.481 1.419 2.549 1.00 0.00 C ATOM 1000 O VAL A 68 -6.525 0.284 2.077 1.00 0.00 O ATOM 1001 CB VAL A 68 -5.387 3.400 1.477 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -4.379 2.536 0.733 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.612 4.717 0.746 1.00 0.00 C ATOM 0 H VAL A 68 -7.442 4.441 2.466 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.078 2.315 0.689 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.982 3.627 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.447 3.088 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.189 1.626 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.778 2.274 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.660 5.233 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.045 4.519 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.293 5.342 1.324 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.234 1.664 3.835 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.990 0.588 4.792 1.00 0.00 C ATOM 1015 C VAL A 69 -7.168 -0.383 4.842 1.00 0.00 C ATOM 1016 O VAL A 69 -6.979 -1.600 4.781 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.728 1.141 6.209 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -5.293 0.026 7.147 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.686 2.250 6.171 1.00 0.00 C ATOM 0 H VAL A 69 -6.198 2.600 4.238 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.102 0.057 4.450 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.659 1.563 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.113 0.436 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.077 -0.729 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.377 -0.429 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.517 2.625 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.752 1.858 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.042 3.062 5.537 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.380 0.162 4.945 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.592 -0.654 4.994 1.00 0.00 C ATOM 1031 C LYS A 70 -9.692 -1.561 3.768 1.00 0.00 C ATOM 1032 O LYS A 70 -10.065 -2.728 3.885 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.832 0.241 5.089 1.00 0.00 C ATOM 1034 CG LYS A 70 -12.143 -0.525 5.195 1.00 0.00 C ATOM 1035 CD LYS A 70 -12.322 -1.149 6.571 1.00 0.00 C ATOM 1036 CE LYS A 70 -13.581 -2.002 6.632 1.00 0.00 C ATOM 1037 NZ LYS A 70 -13.666 -2.790 7.894 1.00 0.00 N ATOM 0 H LYS A 70 -8.548 1.167 4.996 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.540 -1.284 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.732 0.891 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.870 0.886 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.975 0.148 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.170 -1.306 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.453 -1.762 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.376 -0.363 7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.458 -1.360 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.599 -2.681 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.539 -3.356 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.844 -3.423 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.675 -2.142 8.708 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.358 -1.016 2.595 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.412 -1.780 1.351 1.00 0.00 C ATOM 1053 C LEU A 71 -8.350 -2.879 1.332 1.00 0.00 C ATOM 1054 O LEU A 71 -8.638 -4.019 0.967 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.232 -0.853 0.142 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.491 -0.646 -0.710 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -11.411 0.382 -0.067 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -10.116 -0.221 -2.123 1.00 0.00 C ATOM 0 H LEU A 71 -9.048 -0.051 2.483 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.393 -2.252 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.888 0.119 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.444 -1.258 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.026 -1.594 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.298 0.514 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.708 0.036 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.887 1.333 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.022 -0.079 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.557 0.714 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.500 -0.993 -2.584 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.128 -2.534 1.732 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.035 -3.504 1.764 1.00 0.00 C ATOM 1072 C ILE A 72 -6.297 -4.592 2.811 1.00 0.00 C ATOM 1073 O ILE A 72 -6.027 -5.771 2.573 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.677 -2.827 2.058 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.439 -1.645 1.111 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.545 -3.835 1.933 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -3.596 -0.545 1.719 1.00 0.00 C ATOM 0 H ILE A 72 -6.870 -1.595 2.037 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.988 -3.959 0.775 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.701 -2.448 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.952 -2.007 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.401 -1.231 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.595 -3.343 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.699 -4.646 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.528 -4.240 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.468 0.259 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.092 -0.156 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.620 -0.944 1.994 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.826 -4.188 3.968 1.00 0.00 N ATOM 1090 CA LYS A 73 -7.125 -5.129 5.048 1.00 0.00 C ATOM 1091 C LYS A 73 -8.270 -6.073 4.682 1.00 0.00 C ATOM 1092 O LYS A 73 -8.281 -7.230 5.109 1.00 0.00 O ATOM 1093 CB LYS A 73 -7.460 -4.377 6.340 1.00 0.00 C ATOM 1094 CG LYS A 73 -6.437 -4.593 7.442 1.00 0.00 C ATOM 1095 CD LYS A 73 -6.243 -3.340 8.286 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.797 -2.864 8.263 1.00 0.00 C ATOM 1097 NZ LYS A 73 -3.845 -3.945 8.649 1.00 0.00 N ATOM 0 H LYS A 73 -7.056 -3.217 4.180 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.231 -5.733 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.532 -3.311 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.440 -4.697 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.759 -5.415 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.484 -4.886 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.893 -2.547 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.543 -3.544 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.550 -2.504 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.682 -2.020 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.059 -3.537 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.340 -4.652 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.471 -4.401 7.792 1.00 0.00 H new ATOM 1111 N SER A 74 -9.234 -5.581 3.898 1.00 0.00 N ATOM 1112 CA SER A 74 -10.376 -6.398 3.495 1.00 0.00 C ATOM 1113 C SER A 74 -10.000 -7.363 2.368 1.00 0.00 C ATOM 1114 O SER A 74 -10.472 -7.233 1.235 1.00 0.00 O ATOM 1115 CB SER A 74 -11.547 -5.510 3.063 1.00 0.00 C ATOM 1116 OG SER A 74 -11.120 -4.477 2.192 1.00 0.00 O ATOM 0 H SER A 74 -9.245 -4.628 3.534 1.00 0.00 H new ATOM 0 HA SER A 74 -10.682 -6.989 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.302 -6.118 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.019 -5.074 3.944 1.00 0.00 H new ATOM 0 HG SER A 74 -10.839 -3.700 2.719 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.146 -8.334 2.693 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.718 -9.312 1.709 1.00 0.00 C ATOM 1124 C GLY A 75 -7.357 -9.899 2.027 1.00 0.00 C ATOM 1125 O GLY A 75 -6.477 -9.201 2.536 1.00 0.00 O ATOM 0 H GLY A 75 -8.744 -8.459 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.453 -10.115 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.687 -8.843 0.725 1.00 0.00 H new ATOM 1129 N SER A 76 -7.182 -11.185 1.724 1.00 0.00 N ATOM 1130 CA SER A 76 -5.914 -11.869 1.973 1.00 0.00 C ATOM 1131 C SER A 76 -4.844 -11.418 0.978 1.00 0.00 C ATOM 1132 O SER A 76 -3.675 -11.277 1.334 1.00 0.00 O ATOM 1133 CB SER A 76 -6.099 -13.387 1.892 1.00 0.00 C ATOM 1134 OG SER A 76 -6.792 -13.759 0.710 1.00 0.00 O ATOM 0 H SER A 76 -7.902 -11.774 1.306 1.00 0.00 H new ATOM 0 HA SER A 76 -5.583 -11.606 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.125 -13.876 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.651 -13.736 2.765 1.00 0.00 H new ATOM 0 HG SER A 76 -6.894 -14.733 0.684 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.255 -11.189 -0.270 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.340 -10.749 -1.318 1.00 0.00 C ATOM 1142 C TYR A 77 -4.749 -9.371 -1.831 1.00 0.00 C ATOM 1143 O TYR A 77 -5.939 -9.098 -1.999 1.00 0.00 O ATOM 1144 CB TYR A 77 -4.345 -11.751 -2.474 1.00 0.00 C ATOM 1145 CG TYR A 77 -3.343 -12.874 -2.327 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -3.356 -13.708 -1.213 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -2.388 -13.105 -3.307 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -2.446 -14.737 -1.083 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -1.475 -14.133 -3.184 1.00 0.00 C ATOM 1150 CZ TYR A 77 -1.507 -14.947 -2.072 1.00 0.00 C ATOM 1151 OH TYR A 77 -0.599 -15.974 -1.947 1.00 0.00 O ATOM 0 H TYR A 77 -6.221 -11.302 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.335 -10.689 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.343 -12.180 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.142 -11.218 -3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.090 -13.547 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.359 -12.470 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.469 -15.375 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.738 -14.299 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.009 -15.986 -2.729 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.764 -8.503 -2.073 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.042 -7.152 -2.560 1.00 0.00 C ATOM 1163 C VAL A 78 -3.070 -6.728 -3.661 1.00 0.00 C ATOM 1164 O VAL A 78 -1.852 -6.810 -3.494 1.00 0.00 O ATOM 1165 CB VAL A 78 -3.979 -6.108 -1.423 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.204 -6.211 -0.527 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -2.700 -6.268 -0.614 1.00 0.00 C ATOM 0 H VAL A 78 -2.774 -8.710 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.053 -7.186 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.972 -5.115 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.138 -5.467 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.103 -6.033 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.250 -7.207 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.677 -5.523 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.668 -7.266 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.837 -6.130 -1.266 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.620 -6.252 -4.775 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.804 -5.792 -5.896 1.00 0.00 C ATOM 1179 C ALA A 79 -2.901 -4.279 -6.038 1.00 0.00 C ATOM 1180 O ALA A 79 -3.953 -3.751 -6.395 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.237 -6.473 -7.183 1.00 0.00 C ATOM 0 H ALA A 79 -4.626 -6.175 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.765 -6.056 -5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.619 -6.119 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.122 -7.552 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.282 -6.238 -7.386 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.803 -3.586 -5.751 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.776 -2.128 -5.835 1.00 0.00 C ATOM 1189 C LEU A 80 -0.914 -1.653 -7.001 1.00 0.00 C ATOM 1190 O LEU A 80 0.229 -2.085 -7.158 1.00 0.00 O ATOM 1191 CB LEU A 80 -1.252 -1.527 -4.523 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.471 -2.377 -3.266 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -0.670 -1.818 -2.100 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -2.952 -2.445 -2.913 1.00 0.00 C ATOM 0 H LEU A 80 -0.922 -4.009 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.798 -1.788 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.183 -1.341 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.730 -0.559 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.122 -3.389 -3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.837 -2.433 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.391 -1.824 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.989 -0.796 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.085 -3.053 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.328 -1.439 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.503 -2.892 -3.740 1.00 0.00 H new ATOM 1206 N THR A 81 -1.462 -0.744 -7.806 1.00 0.00 N ATOM 1207 CA THR A 81 -0.731 -0.195 -8.945 1.00 0.00 C ATOM 1208 C THR A 81 0.279 0.837 -8.456 1.00 0.00 C ATOM 1209 O THR A 81 -0.103 1.902 -7.960 1.00 0.00 O ATOM 1210 CB THR A 81 -1.691 0.441 -9.953 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.717 -0.465 -10.320 1.00 0.00 O ATOM 1212 CG2 THR A 81 -1.003 0.894 -11.225 1.00 0.00 C ATOM 0 H THR A 81 -2.406 -0.374 -7.691 1.00 0.00 H new ATOM 0 HA THR A 81 -0.204 -1.007 -9.446 1.00 0.00 H new ATOM 0 HB THR A 81 -2.103 1.313 -9.446 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.389 -1.384 -10.231 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.737 1.336 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.241 1.635 -10.983 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.535 0.038 -11.710 1.00 0.00 H new ATOM 1220 N VAL A 82 1.564 0.505 -8.577 1.00 0.00 N ATOM 1221 CA VAL A 82 2.639 1.389 -8.126 1.00 0.00 C ATOM 1222 C VAL A 82 3.543 1.840 -9.275 1.00 0.00 C ATOM 1223 O VAL A 82 3.387 1.408 -10.417 1.00 0.00 O ATOM 1224 CB VAL A 82 3.512 0.701 -7.053 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.782 0.645 -5.722 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.922 -0.693 -7.502 1.00 0.00 C ATOM 0 H VAL A 82 1.887 -0.372 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 82 2.150 2.266 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 82 4.417 1.294 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.414 0.157 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.550 1.657 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.857 0.081 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.536 -1.158 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.031 -1.298 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.493 -0.624 -8.428 1.00 0.00 H new ATOM 1236 N GLN A 83 4.496 2.715 -8.951 1.00 0.00 N ATOM 1237 CA GLN A 83 5.445 3.236 -9.928 1.00 0.00 C ATOM 1238 C GLN A 83 6.795 3.513 -9.264 1.00 0.00 C ATOM 1239 O GLN A 83 6.854 3.864 -8.080 1.00 0.00 O ATOM 1240 CB GLN A 83 4.903 4.518 -10.568 1.00 0.00 C ATOM 1241 CG GLN A 83 5.627 4.913 -11.846 1.00 0.00 C ATOM 1242 CD GLN A 83 5.263 6.307 -12.312 1.00 0.00 C ATOM 1243 OE1 GLN A 83 4.334 6.487 -13.098 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.998 7.304 -11.831 1.00 0.00 N ATOM 0 H GLN A 83 4.629 3.079 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 83 5.584 2.486 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.843 4.385 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.980 5.334 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.703 4.858 -11.682 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.387 4.197 -12.632 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.759 7.109 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.801 8.265 -12.112 1.00 0.00 H new ATOM 1253 N GLY A 84 7.874 3.354 -10.030 1.00 0.00 N ATOM 1254 CA GLY A 84 9.206 3.591 -9.499 1.00 0.00 C ATOM 1255 C GLY A 84 10.303 3.138 -10.444 1.00 0.00 C ATOM 1256 O GLY A 84 10.181 3.288 -11.662 1.00 0.00 O ATOM 0 H GLY A 84 7.848 3.065 -11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.326 4.655 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.312 3.068 -8.549 1.00 0.00 H new ATOM 1260 N ARG A 85 11.374 2.586 -9.879 1.00 0.00 N ATOM 1261 CA ARG A 85 12.504 2.105 -10.671 1.00 0.00 C ATOM 1262 C ARG A 85 12.439 0.586 -10.842 1.00 0.00 C ATOM 1263 O ARG A 85 11.793 -0.107 -10.052 1.00 0.00 O ATOM 1264 CB ARG A 85 13.831 2.497 -10.008 1.00 0.00 C ATOM 1265 CG ARG A 85 13.927 3.969 -9.644 1.00 0.00 C ATOM 1266 CD ARG A 85 14.909 4.199 -8.507 1.00 0.00 C ATOM 1267 NE ARG A 85 14.440 5.225 -7.575 1.00 0.00 N ATOM 1268 CZ ARG A 85 14.482 6.538 -7.825 1.00 0.00 C ATOM 1269 NH1 ARG A 85 14.955 6.992 -8.984 1.00 0.00 N ATOM 1270 NH2 ARG A 85 14.044 7.399 -6.911 1.00 0.00 N ATOM 0 H ARG A 85 11.483 2.460 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 85 12.448 2.571 -11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.965 1.900 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.650 2.245 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.240 4.541 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.943 4.339 -9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.065 3.264 -7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.875 4.496 -8.917 1.00 0.00 H new ATOM 0 HE ARG A 85 14.058 4.920 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.289 6.336 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.983 7.995 -9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.678 7.057 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.075 8.401 -7.098 1.00 0.00 H new ATOM 1284 N PRO A 86 13.108 0.047 -11.883 1.00 0.00 N ATOM 1285 CA PRO A 86 13.123 -1.397 -12.153 1.00 0.00 C ATOM 1286 C PRO A 86 13.638 -2.203 -10.960 1.00 0.00 C ATOM 1287 O PRO A 86 14.595 -1.795 -10.299 1.00 0.00 O ATOM 1288 CB PRO A 86 14.082 -1.537 -13.343 1.00 0.00 C ATOM 1289 CG PRO A 86 14.096 -0.194 -13.986 1.00 0.00 C ATOM 1290 CD PRO A 86 13.897 0.800 -12.875 1.00 0.00 C ATOM 0 HA PRO A 86 12.122 -1.780 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.080 -1.828 -13.014 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.740 -2.304 -14.038 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.040 -0.018 -14.502 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.305 -0.110 -14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.848 1.136 -12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.367 1.688 -13.220 1.00 0.00 H new ATOM 1298 N PRO A 87 12.999 -3.359 -10.666 1.00 0.00 N ATOM 1299 CA PRO A 87 13.388 -4.229 -9.541 1.00 0.00 C ATOM 1300 C PRO A 87 14.811 -4.785 -9.684 1.00 0.00 C ATOM 1301 O PRO A 87 15.559 -4.389 -10.581 1.00 0.00 O ATOM 1302 CB PRO A 87 12.361 -5.373 -9.595 1.00 0.00 C ATOM 1303 CG PRO A 87 11.227 -4.843 -10.400 1.00 0.00 C ATOM 1304 CD PRO A 87 11.841 -3.905 -11.397 1.00 0.00 C ATOM 0 HA PRO A 87 13.392 -3.683 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.788 -6.264 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.035 -5.657 -8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.691 -5.650 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.506 -4.325 -9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.145 -4.424 -12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.145 -3.121 -11.695 1.00 0.00 H new ATOM 1312 N GLY A 88 15.175 -5.706 -8.791 1.00 0.00 N ATOM 1313 CA GLY A 88 16.502 -6.301 -8.824 1.00 0.00 C ATOM 1314 C GLY A 88 16.495 -7.724 -9.353 1.00 0.00 C ATOM 1315 O GLY A 88 17.037 -7.991 -10.427 1.00 0.00 O ATOM 0 H GLY A 88 14.572 -6.051 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 88 17.154 -5.689 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.924 -6.294 -7.819 1.00 0.00 H new ATOM 1319 N SER A 89 15.888 -8.639 -8.596 1.00 0.00 N ATOM 1320 CA SER A 89 15.821 -10.044 -8.996 1.00 0.00 C ATOM 1321 C SER A 89 14.372 -10.509 -9.137 1.00 0.00 C ATOM 1322 O SER A 89 14.021 -11.019 -10.221 1.00 0.00 O ATOM 1323 CB SER A 89 16.558 -10.919 -7.977 1.00 0.00 C ATOM 1324 OG SER A 89 17.798 -11.373 -8.494 1.00 0.00 O ATOM 1325 OXT SER A 89 13.601 -10.357 -8.165 1.00 0.00 O ATOM 0 H SER A 89 15.437 -8.433 -7.705 1.00 0.00 H new ATOM 0 HA SER A 89 16.305 -10.142 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.728 -10.352 -7.062 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.937 -11.774 -7.711 1.00 0.00 H new ATOM 0 HG SER A 89 18.249 -11.928 -7.823 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -0.152 21.235 7.281 1.00 0.00 N ATOM 1333 CA VAL B 90 -0.333 20.474 8.548 1.00 0.00 C ATOM 1334 C VAL B 90 -1.369 19.362 8.377 1.00 0.00 C ATOM 1335 O VAL B 90 -2.576 19.614 8.415 1.00 0.00 O ATOM 1336 CB VAL B 90 -0.772 21.398 9.710 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -0.834 20.625 11.022 1.00 0.00 C ATOM 1338 CG2 VAL B 90 0.165 22.593 9.835 1.00 0.00 C ATOM 0 HA VAL B 90 0.634 20.035 8.792 1.00 0.00 H new ATOM 0 HB VAL B 90 -1.772 21.771 9.486 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -1.145 21.294 11.824 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -1.552 19.810 10.931 1.00 0.00 H new ATOM 0 HG13 VAL B 90 0.150 20.217 11.251 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -0.163 23.228 10.658 1.00 0.00 H new ATOM 0 HG22 VAL B 90 1.178 22.242 10.029 1.00 0.00 H new ATOM 0 HG23 VAL B 90 0.151 23.165 8.907 1.00 0.00 H new ATOM 1350 N GLU B 91 -0.887 18.132 8.184 1.00 0.00 N ATOM 1351 CA GLU B 91 -1.762 16.975 8.005 1.00 0.00 C ATOM 1352 C GLU B 91 -0.959 15.674 8.037 1.00 0.00 C ATOM 1353 O GLU B 91 0.030 15.529 7.316 1.00 0.00 O ATOM 1354 CB GLU B 91 -2.531 17.083 6.683 1.00 0.00 C ATOM 1355 CG GLU B 91 -3.697 16.110 6.578 1.00 0.00 C ATOM 1356 CD GLU B 91 -3.809 15.468 5.208 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -2.781 14.974 4.695 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -4.926 15.454 4.650 1.00 0.00 O ATOM 0 H GLU B 91 0.109 17.913 8.148 1.00 0.00 H new ATOM 0 HA GLU B 91 -2.475 16.962 8.829 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -2.906 18.100 6.572 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -1.844 16.905 5.856 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -3.582 15.330 7.331 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -4.624 16.636 6.804 1.00 0.00 H new ATOM 1365 N ASN B 92 -1.390 14.734 8.878 1.00 0.00 N ATOM 1366 CA ASN B 92 -0.711 13.445 9.006 1.00 0.00 C ATOM 1367 C ASN B 92 -1.418 12.369 8.186 1.00 0.00 C ATOM 1368 O ASN B 92 -2.513 11.924 8.539 1.00 0.00 O ATOM 1369 CB ASN B 92 -0.638 13.026 10.480 1.00 0.00 C ATOM 1370 CG ASN B 92 0.732 13.274 11.090 1.00 0.00 C ATOM 1371 OD1 ASN B 92 1.461 14.171 10.667 1.00 0.00 O ATOM 1372 ND2 ASN B 92 1.086 12.481 12.096 1.00 0.00 N ATOM 0 H ASN B 92 -2.206 14.841 9.481 1.00 0.00 H new ATOM 0 HA ASN B 92 0.302 13.556 8.619 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -1.389 13.575 11.048 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.884 11.968 10.566 1.00 0.00 H new ATOM 0 HD21 ASN B 92 1.992 12.604 12.548 1.00 0.00 H new ATOM 0 HD22 ASN B 92 0.452 11.749 12.416 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.784 11.953 7.089 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.345 10.926 6.214 1.00 0.00 C ATOM 1381 C LYS B 93 -0.360 9.766 6.026 1.00 0.00 C ATOM 1382 O LYS B 93 -0.203 9.243 4.921 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.722 11.539 4.859 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.058 11.050 4.321 1.00 0.00 C ATOM 1385 CD LYS B 93 -4.131 12.121 4.438 1.00 0.00 C ATOM 1386 CE LYS B 93 -5.459 11.537 4.891 1.00 0.00 C ATOM 1387 NZ LYS B 93 -6.406 12.592 5.348 1.00 0.00 N ATOM 0 H LYS B 93 0.121 12.313 6.786 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.245 10.527 6.683 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.754 12.624 4.957 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -0.941 11.307 4.135 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -2.946 10.758 3.277 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.369 10.161 4.869 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.808 12.884 5.146 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.260 12.614 3.475 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.908 10.978 4.070 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.286 10.829 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -6.569 12.493 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.002 13.530 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.309 12.491 4.842 1.00 0.00 H new ATOM 1401 N VAL B 94 0.298 9.365 7.115 1.00 0.00 N ATOM 1402 CA VAL B 94 1.263 8.268 7.070 1.00 0.00 C ATOM 1403 C VAL B 94 0.659 6.985 7.639 1.00 0.00 C ATOM 1404 O VAL B 94 -0.036 7.014 8.657 1.00 0.00 O ATOM 1405 CB VAL B 94 2.552 8.614 7.849 1.00 0.00 C ATOM 1406 CG1 VAL B 94 3.609 7.536 7.654 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.088 9.975 7.421 1.00 0.00 C ATOM 0 H VAL B 94 0.180 9.784 8.038 1.00 0.00 H new ATOM 0 HA VAL B 94 1.519 8.112 6.022 1.00 0.00 H new ATOM 0 HB VAL B 94 2.306 8.659 8.910 1.00 0.00 H new ATOM 0 HG11 VAL B 94 4.507 7.802 8.212 1.00 0.00 H new ATOM 0 HG12 VAL B 94 3.226 6.582 8.016 1.00 0.00 H new ATOM 0 HG13 VAL B 94 3.852 7.452 6.595 1.00 0.00 H new ATOM 0 HG21 VAL B 94 3.996 10.201 7.981 1.00 0.00 H new ATOM 0 HG22 VAL B 94 3.314 9.958 6.355 1.00 0.00 H new ATOM 0 HG23 VAL B 94 2.338 10.741 7.621 1.00 0.00 H new ATOM 1417 N THR B 95 0.927 5.861 6.971 1.00 0.00 N ATOM 1418 CA THR B 95 0.409 4.563 7.403 1.00 0.00 C ATOM 1419 C THR B 95 1.548 3.568 7.639 1.00 0.00 C ATOM 1420 O THR B 95 2.598 3.650 6.998 1.00 0.00 O ATOM 1421 CB THR B 95 -0.573 4.002 6.362 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.219 5.051 5.656 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.653 3.127 6.968 1.00 0.00 C ATOM 0 H THR B 95 1.500 5.825 6.128 1.00 0.00 H new ATOM 0 HA THR B 95 -0.120 4.710 8.345 1.00 0.00 H new ATOM 0 HB THR B 95 0.037 3.394 5.693 1.00 0.00 H new ATOM 0 HG1 THR B 95 -1.838 4.670 4.998 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.312 2.764 6.179 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.192 2.279 7.475 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.232 3.708 7.686 1.00 0.00 H new ATOM 1431 N ASP B 96 1.332 2.628 8.560 1.00 0.00 N ATOM 1432 CA ASP B 96 2.338 1.617 8.880 1.00 0.00 C ATOM 1433 C ASP B 96 1.697 0.233 8.991 1.00 0.00 C ATOM 1434 O ASP B 96 0.789 0.023 9.799 1.00 0.00 O ATOM 1435 CB ASP B 96 3.052 1.976 10.190 1.00 0.00 C ATOM 1436 CG ASP B 96 4.305 1.150 10.429 1.00 0.00 C ATOM 1437 OD1 ASP B 96 4.202 -0.095 10.479 1.00 0.00 O ATOM 1438 OD2 ASP B 96 5.390 1.749 10.572 1.00 0.00 O ATOM 0 H ASP B 96 0.469 2.546 9.097 1.00 0.00 H new ATOM 0 HA ASP B 96 3.070 1.593 8.073 1.00 0.00 H new ATOM 0 HB2 ASP B 96 3.318 3.033 10.175 1.00 0.00 H new ATOM 0 HB3 ASP B 96 2.364 1.832 11.023 1.00 0.00 H new ATOM 1443 N LEU B 97 2.181 -0.707 8.177 1.00 0.00 N ATOM 1444 CA LEU B 97 1.665 -2.078 8.176 1.00 0.00 C ATOM 1445 C LEU B 97 2.809 -3.095 8.271 1.00 0.00 C ATOM 1446 O LEU B 97 2.525 -4.283 8.535 1.00 0.00 O ATOM 1447 CB LEU B 97 0.839 -2.333 6.906 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.611 -2.775 7.140 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -0.658 -4.088 7.910 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.393 -1.691 7.871 1.00 0.00 C ATOM 1451 OXT LEU B 97 3.977 -2.698 8.080 1.00 0.00 O ATOM 0 H LEU B 97 2.933 -0.543 7.507 1.00 0.00 H new ATOM 0 HA LEU B 97 1.024 -2.200 9.049 1.00 0.00 H new ATOM 0 HB2 LEU B 97 0.831 -1.421 6.310 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.342 -3.097 6.313 1.00 0.00 H new ATOM 0 HG LEU B 97 -1.079 -2.935 6.169 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -1.696 -4.382 8.065 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -0.142 -4.862 7.341 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -0.169 -3.961 8.876 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.419 -2.025 8.027 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.925 -1.493 8.835 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.395 -0.779 7.274 1.00 0.00 H new TER 1463 LEU B 97