USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.315 X(o=0.83,f=0.83) USER MOD Set 1.2: A 88 THR OG1 : rot 74:sc= 1.14 USER MOD Set 2.1: A 74 TYR OH : rot 150:sc= 1.02 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 42 LYS NZ :NH3+ -168:sc= -0.083 (180deg=-0.399) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 0.0503 USER MOD Set 4.1: A 20 ASN : amide:sc= 1.6 K(o=2.8,f=-5.5!) USER MOD Set 4.2: A 22 ASN : amide:sc= 1.18 K(o=2.8,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 2.42 (180deg=0.748) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= -1.4 (180deg=-1.78!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= 1.15 (180deg=-0.0537) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 151:sc= -0.0999 (180deg=-0.514) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.836 K(o=0.84,f=-0.023) USER MOD Single : A 44 SER OG : rot -42:sc= 1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -141:sc= 1.01 USER MOD Single : A 50 SER OG : rot 101:sc= 1.24 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0.615 K(o=0.61,f=-5.8!) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.07) USER MOD Single : A 59 ASN : amide:sc= 0.604 K(o=0.6,f=-0.092) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 139:sc= -0.432 (180deg=-2.23!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 73 TYR OH : rot -151:sc= -0.18! USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.1) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -3.46! C(o=-3.5!,f=-6.4!) USER MOD Single : A 89 THR OG1 : rot -109:sc= 0.751 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.783 F(o=-1.5,f=-0.78) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.7!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.205 17.214 4.292 1.00 0.00 N ATOM 2 CA MET A 1 -6.006 16.662 4.905 1.00 0.00 C ATOM 3 C MET A 1 -5.341 15.835 3.845 1.00 0.00 C ATOM 4 O MET A 1 -5.688 15.946 2.672 1.00 0.00 O ATOM 5 CB MET A 1 -6.342 15.748 6.117 1.00 0.00 C ATOM 6 CG MET A 1 -7.227 16.343 7.203 1.00 0.00 C ATOM 7 SD MET A 1 -8.947 16.520 6.686 1.00 0.00 S ATOM 8 CE MET A 1 -9.683 17.113 8.205 1.00 0.00 C ATOM 0 H1 MET A 1 -7.936 17.348 5.019 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.981 18.130 3.854 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.556 16.559 3.564 1.00 0.00 H new ATOM 0 HA MET A 1 -5.373 17.469 5.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.827 14.848 5.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.404 15.436 6.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.182 15.710 8.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.836 17.319 7.489 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.750 17.273 8.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.535 16.375 8.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.213 18.053 8.495 1.00 0.00 H new ATOM 20 N SER A 2 -4.401 15.022 4.219 1.00 0.00 N ATOM 21 CA SER A 2 -3.785 14.129 3.297 1.00 0.00 C ATOM 22 C SER A 2 -3.600 12.772 3.958 1.00 0.00 C ATOM 23 O SER A 2 -2.952 12.675 4.992 1.00 0.00 O ATOM 24 CB SER A 2 -2.461 14.711 2.805 1.00 0.00 C ATOM 25 OG SER A 2 -2.687 15.980 2.179 1.00 0.00 O ATOM 0 H SER A 2 -4.042 14.962 5.172 1.00 0.00 H new ATOM 0 HA SER A 2 -4.423 13.996 2.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.772 14.826 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.993 14.026 2.098 1.00 0.00 H new ATOM 0 HG SER A 2 -1.834 16.348 1.868 1.00 0.00 H new ATOM 31 N ILE A 3 -4.308 11.777 3.418 1.00 0.00 N ATOM 32 CA ILE A 3 -4.259 10.335 3.792 1.00 0.00 C ATOM 33 C ILE A 3 -5.004 10.025 5.112 1.00 0.00 C ATOM 34 O ILE A 3 -5.633 8.990 5.247 1.00 0.00 O ATOM 35 CB ILE A 3 -2.803 9.705 3.757 1.00 0.00 C ATOM 36 CG1 ILE A 3 -2.858 8.232 3.350 1.00 0.00 C ATOM 37 CG2 ILE A 3 -2.070 9.815 5.101 1.00 0.00 C ATOM 38 CD1 ILE A 3 -3.315 7.992 1.927 1.00 0.00 C ATOM 0 H ILE A 3 -4.973 11.951 2.664 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.810 9.829 2.999 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.247 10.283 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.868 7.795 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.530 7.705 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.080 9.367 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.970 10.865 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.639 9.291 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.324 6.921 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.319 8.395 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.631 8.486 1.237 1.00 0.00 H new ATOM 50 N LEU A 4 -4.991 10.967 6.041 1.00 0.00 N ATOM 51 CA LEU A 4 -5.651 10.813 7.352 1.00 0.00 C ATOM 52 C LEU A 4 -7.162 11.048 7.263 1.00 0.00 C ATOM 53 O LEU A 4 -7.838 11.211 8.271 1.00 0.00 O ATOM 54 CB LEU A 4 -5.033 11.775 8.370 1.00 0.00 C ATOM 55 CG LEU A 4 -3.552 11.564 8.691 1.00 0.00 C ATOM 56 CD1 LEU A 4 -3.072 12.625 9.657 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.320 10.180 9.278 1.00 0.00 C ATOM 0 H LEU A 4 -4.525 11.866 5.919 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.494 9.785 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.161 12.792 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.598 11.699 9.299 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.985 11.644 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.017 12.465 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.204 13.610 9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.649 12.565 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.260 10.051 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.898 10.073 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.636 9.423 8.560 1.00 0.00 H new ATOM 69 N GLU A 5 -7.670 11.061 6.062 1.00 0.00 N ATOM 70 CA GLU A 5 -9.081 11.281 5.810 1.00 0.00 C ATOM 71 C GLU A 5 -9.716 9.942 5.505 1.00 0.00 C ATOM 72 O GLU A 5 -10.941 9.813 5.429 1.00 0.00 O ATOM 73 CB GLU A 5 -9.211 12.146 4.569 1.00 0.00 C ATOM 74 CG GLU A 5 -8.284 13.327 4.571 1.00 0.00 C ATOM 75 CD GLU A 5 -8.186 13.997 3.234 1.00 0.00 C ATOM 76 OE1 GLU A 5 -7.638 13.377 2.289 1.00 0.00 O ATOM 77 OE2 GLU A 5 -8.608 15.167 3.109 1.00 0.00 O ATOM 0 H GLU A 5 -7.117 10.918 5.217 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.556 11.755 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.011 11.537 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.239 12.499 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.628 14.051 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.291 13.002 4.882 1.00 0.00 H new ATOM 84 N ASP A 6 -8.876 8.951 5.344 1.00 0.00 N ATOM 85 CA ASP A 6 -9.298 7.661 4.876 1.00 0.00 C ATOM 86 C ASP A 6 -9.463 6.666 6.034 1.00 0.00 C ATOM 87 O ASP A 6 -8.537 6.481 6.845 1.00 0.00 O ATOM 88 CB ASP A 6 -8.283 7.143 3.876 1.00 0.00 C ATOM 89 CG ASP A 6 -8.770 5.931 3.163 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.707 4.852 3.730 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.271 6.070 2.025 1.00 0.00 O ATOM 0 H ASP A 6 -7.876 9.020 5.535 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.272 7.765 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.058 7.924 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.352 6.910 4.392 1.00 0.00 H new ATOM 96 N PRO A 7 -10.646 6.022 6.148 1.00 0.00 N ATOM 97 CA PRO A 7 -10.926 5.045 7.209 1.00 0.00 C ATOM 98 C PRO A 7 -10.160 3.729 7.020 1.00 0.00 C ATOM 99 O PRO A 7 -9.897 2.998 7.984 1.00 0.00 O ATOM 100 CB PRO A 7 -12.434 4.778 7.097 1.00 0.00 C ATOM 101 CG PRO A 7 -12.959 5.756 6.104 1.00 0.00 C ATOM 102 CD PRO A 7 -11.801 6.195 5.261 1.00 0.00 C ATOM 0 HA PRO A 7 -10.617 5.433 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.625 3.755 6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.924 4.903 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.733 5.300 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.414 6.609 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.709 5.590 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.909 7.231 4.940 1.00 0.00 H new ATOM 110 N GLU A 8 -9.794 3.430 5.801 1.00 0.00 N ATOM 111 CA GLU A 8 -9.074 2.220 5.525 1.00 0.00 C ATOM 112 C GLU A 8 -7.644 2.398 5.976 1.00 0.00 C ATOM 113 O GLU A 8 -7.045 1.492 6.542 1.00 0.00 O ATOM 114 CB GLU A 8 -9.159 1.848 4.037 1.00 0.00 C ATOM 115 CG GLU A 8 -10.576 1.711 3.516 1.00 0.00 C ATOM 116 CD GLU A 8 -11.373 0.697 4.280 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.877 1.010 5.359 1.00 0.00 O ATOM 118 OE2 GLU A 8 -11.511 -0.449 3.826 1.00 0.00 O ATOM 0 H GLU A 8 -9.984 4.010 4.984 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.523 1.393 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.640 2.608 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.632 0.908 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.075 2.678 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.547 1.428 2.464 1.00 0.00 H new ATOM 125 N PHE A 9 -7.131 3.604 5.766 1.00 0.00 N ATOM 126 CA PHE A 9 -5.777 3.977 6.168 1.00 0.00 C ATOM 127 C PHE A 9 -5.567 3.830 7.678 1.00 0.00 C ATOM 128 O PHE A 9 -4.540 3.299 8.129 1.00 0.00 O ATOM 129 CB PHE A 9 -5.450 5.410 5.727 1.00 0.00 C ATOM 130 CG PHE A 9 -4.065 5.849 6.105 1.00 0.00 C ATOM 131 CD1 PHE A 9 -2.980 5.449 5.356 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.848 6.647 7.222 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.708 5.832 5.704 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.572 7.029 7.577 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.500 6.623 6.816 1.00 0.00 C ATOM 0 H PHE A 9 -7.645 4.357 5.309 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.096 3.289 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.564 5.484 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.174 6.093 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.132 4.828 4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.688 6.971 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.867 5.513 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.414 7.645 8.450 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.499 6.922 7.088 1.00 0.00 H new ATOM 145 N VAL A 10 -6.526 4.289 8.459 1.00 0.00 N ATOM 146 CA VAL A 10 -6.413 4.200 9.903 1.00 0.00 C ATOM 147 C VAL A 10 -6.429 2.724 10.348 1.00 0.00 C ATOM 148 O VAL A 10 -5.657 2.319 11.225 1.00 0.00 O ATOM 149 CB VAL A 10 -7.479 5.074 10.660 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.900 4.606 10.432 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.169 5.164 12.141 1.00 0.00 C ATOM 0 H VAL A 10 -7.385 4.724 8.122 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.451 4.627 10.186 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.409 6.074 10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.588 5.250 10.981 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.132 4.651 9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.006 3.579 10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.925 5.775 12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.171 4.164 12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.188 5.618 12.280 1.00 0.00 H new ATOM 161 N LYS A 11 -7.239 1.907 9.673 1.00 0.00 N ATOM 162 CA LYS A 11 -7.285 0.482 9.954 1.00 0.00 C ATOM 163 C LYS A 11 -6.007 -0.214 9.488 1.00 0.00 C ATOM 164 O LYS A 11 -5.584 -1.199 10.079 1.00 0.00 O ATOM 165 CB LYS A 11 -8.562 -0.178 9.398 1.00 0.00 C ATOM 166 CG LYS A 11 -9.822 0.297 10.122 1.00 0.00 C ATOM 167 CD LYS A 11 -11.124 -0.429 9.714 1.00 0.00 C ATOM 168 CE LYS A 11 -11.645 -0.053 8.322 1.00 0.00 C ATOM 169 NZ LYS A 11 -10.915 -0.682 7.198 1.00 0.00 N ATOM 0 H LYS A 11 -7.868 2.212 8.931 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.335 0.360 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.650 0.045 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.479 -1.261 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.675 0.172 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.947 1.364 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.952 -1.505 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.896 -0.207 10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.697 -0.331 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.594 1.030 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.783 0.014 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.986 -1.013 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.462 -1.490 6.838 1.00 0.00 H new ATOM 183 N LEU A 12 -5.374 0.327 8.448 1.00 0.00 N ATOM 184 CA LEU A 12 -4.080 -0.175 7.977 1.00 0.00 C ATOM 185 C LEU A 12 -3.027 -0.054 9.046 1.00 0.00 C ATOM 186 O LEU A 12 -2.225 -0.945 9.215 1.00 0.00 O ATOM 187 CB LEU A 12 -3.588 0.554 6.726 1.00 0.00 C ATOM 188 CG LEU A 12 -4.284 0.242 5.416 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.724 1.130 4.335 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.058 -1.207 5.036 1.00 0.00 C ATOM 0 H LEU A 12 -5.736 1.116 7.913 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.241 -1.224 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.673 1.626 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.527 0.335 6.604 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.354 0.418 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.221 0.910 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.892 2.174 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.654 0.949 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.563 -1.419 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.990 -1.392 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.459 -1.854 5.816 1.00 0.00 H new ATOM 202 N ARG A 13 -3.044 1.036 9.791 1.00 0.00 N ATOM 203 CA ARG A 13 -2.050 1.230 10.846 1.00 0.00 C ATOM 204 C ARG A 13 -2.311 0.307 12.016 1.00 0.00 C ATOM 205 O ARG A 13 -1.403 -0.046 12.756 1.00 0.00 O ATOM 206 CB ARG A 13 -1.975 2.677 11.317 1.00 0.00 C ATOM 207 CG ARG A 13 -1.570 3.649 10.236 1.00 0.00 C ATOM 208 CD ARG A 13 -1.283 5.023 10.794 1.00 0.00 C ATOM 209 NE ARG A 13 -2.410 5.575 11.567 1.00 0.00 N ATOM 210 CZ ARG A 13 -2.530 6.853 11.954 1.00 0.00 C ATOM 211 NH1 ARG A 13 -1.615 7.755 11.603 1.00 0.00 N ATOM 212 NH2 ARG A 13 -3.562 7.214 12.700 1.00 0.00 N ATOM 0 H ARG A 13 -3.721 1.793 9.693 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.082 0.981 10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.947 2.972 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.263 2.745 12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.685 3.273 9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.364 3.717 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.401 4.973 11.432 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.045 5.700 9.974 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.159 4.933 11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.815 7.476 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.714 8.725 11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.259 6.522 12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.661 8.184 12.999 1.00 0.00 H new ATOM 226 N GLN A 14 -3.562 -0.069 12.194 1.00 0.00 N ATOM 227 CA GLN A 14 -3.926 -1.014 13.247 1.00 0.00 C ATOM 228 C GLN A 14 -3.558 -2.427 12.819 1.00 0.00 C ATOM 229 O GLN A 14 -3.372 -3.325 13.649 1.00 0.00 O ATOM 230 CB GLN A 14 -5.418 -0.945 13.583 1.00 0.00 C ATOM 231 CG GLN A 14 -5.891 0.397 14.115 1.00 0.00 C ATOM 232 CD GLN A 14 -7.330 0.366 14.607 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.141 -0.486 14.031 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.707 1.110 15.522 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.345 0.260 11.629 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.371 -0.742 14.145 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.989 -1.186 12.687 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.645 -1.713 14.322 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.240 0.708 14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.797 1.147 13.329 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.052 1.763 15.951 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.673 1.070 15.847 1.00 0.00 H new ATOM 243 N PHE A 15 -3.482 -2.616 11.527 1.00 0.00 N ATOM 244 CA PHE A 15 -3.114 -3.881 10.948 1.00 0.00 C ATOM 245 C PHE A 15 -1.579 -3.971 10.911 1.00 0.00 C ATOM 246 O PHE A 15 -1.004 -5.041 11.120 1.00 0.00 O ATOM 247 CB PHE A 15 -3.710 -3.976 9.529 1.00 0.00 C ATOM 248 CG PHE A 15 -3.669 -5.344 8.907 1.00 0.00 C ATOM 249 CD1 PHE A 15 -2.588 -5.761 8.157 1.00 0.00 C ATOM 250 CD2 PHE A 15 -4.733 -6.209 9.068 1.00 0.00 C ATOM 251 CE1 PHE A 15 -2.572 -7.015 7.584 1.00 0.00 C ATOM 252 CE2 PHE A 15 -4.722 -7.461 8.495 1.00 0.00 C ATOM 253 CZ PHE A 15 -3.640 -7.865 7.753 1.00 0.00 C ATOM 0 H PHE A 15 -3.676 -1.887 10.840 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.503 -4.710 11.540 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.747 -3.642 9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.174 -3.283 8.880 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.746 -5.099 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.587 -5.899 9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.719 -7.330 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.564 -8.124 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.627 -8.847 7.303 1.00 0.00 H new ATOM 263 N LYS A 16 -0.947 -2.826 10.625 1.00 0.00 N ATOM 264 CA LYS A 16 0.519 -2.618 10.545 1.00 0.00 C ATOM 265 C LYS A 16 1.112 -3.172 9.251 1.00 0.00 C ATOM 266 O LYS A 16 2.079 -2.641 8.721 1.00 0.00 O ATOM 267 CB LYS A 16 1.279 -3.130 11.783 1.00 0.00 C ATOM 268 CG LYS A 16 2.798 -2.939 11.697 1.00 0.00 C ATOM 269 CD LYS A 16 3.517 -3.495 12.906 1.00 0.00 C ATOM 270 CE LYS A 16 3.223 -2.681 14.133 1.00 0.00 C ATOM 271 NZ LYS A 16 3.791 -3.274 15.353 1.00 0.00 N ATOM 0 H LYS A 16 -1.465 -1.969 10.431 1.00 0.00 H new ATOM 0 HA LYS A 16 0.657 -1.537 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.906 -2.612 12.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.062 -4.190 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.173 -3.428 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.023 -1.877 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.212 -4.529 13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.591 -3.505 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.623 -1.675 14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.144 -2.583 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.121 -3.159 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.970 -4.286 15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.685 -2.797 15.587 1.00 0.00 H new ATOM 285 N GLY A 17 0.557 -4.232 8.765 1.00 0.00 N ATOM 286 CA GLY A 17 1.009 -4.781 7.536 1.00 0.00 C ATOM 287 C GLY A 17 1.119 -6.259 7.623 1.00 0.00 C ATOM 288 O GLY A 17 0.497 -6.966 6.849 1.00 0.00 O ATOM 0 H GLY A 17 -0.214 -4.735 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.319 -4.510 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.979 -4.355 7.278 1.00 0.00 H new ATOM 292 N LYS A 18 1.902 -6.722 8.613 1.00 0.00 N ATOM 293 CA LYS A 18 2.172 -8.148 8.860 1.00 0.00 C ATOM 294 C LYS A 18 2.774 -8.813 7.620 1.00 0.00 C ATOM 295 O LYS A 18 2.694 -10.037 7.429 1.00 0.00 O ATOM 296 CB LYS A 18 0.886 -8.817 9.316 1.00 0.00 C ATOM 297 CG LYS A 18 0.349 -8.180 10.586 1.00 0.00 C ATOM 298 CD LYS A 18 -1.067 -8.600 10.871 1.00 0.00 C ATOM 299 CE LYS A 18 -1.168 -10.072 11.234 1.00 0.00 C ATOM 300 NZ LYS A 18 -2.561 -10.481 11.491 1.00 0.00 N ATOM 0 H LYS A 18 2.373 -6.105 9.275 1.00 0.00 H new ATOM 0 HA LYS A 18 2.914 -8.257 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.137 -8.745 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.067 -9.878 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.985 -8.456 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.394 -7.095 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.465 -7.998 11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.686 -8.400 9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.756 -10.675 10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.562 -10.270 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.587 -11.492 11.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.946 -9.924 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.134 -10.316 10.639 1.00 0.00 H new ATOM 314 N VAL A 19 3.452 -7.990 6.840 1.00 0.00 N ATOM 315 CA VAL A 19 4.041 -8.344 5.568 1.00 0.00 C ATOM 316 C VAL A 19 5.477 -7.866 5.504 1.00 0.00 C ATOM 317 O VAL A 19 5.929 -7.115 6.379 1.00 0.00 O ATOM 318 CB VAL A 19 3.263 -7.706 4.379 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.921 -8.366 4.185 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.065 -6.216 4.616 1.00 0.00 C ATOM 0 H VAL A 19 3.612 -7.014 7.090 1.00 0.00 H new ATOM 0 HA VAL A 19 3.995 -9.430 5.485 1.00 0.00 H new ATOM 0 HB VAL A 19 3.857 -7.856 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.403 -7.898 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.064 -9.426 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.325 -8.251 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.520 -5.783 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.497 -6.066 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.036 -5.730 4.707 1.00 0.00 H new ATOM 330 N ASN A 20 6.187 -8.322 4.497 1.00 0.00 N ATOM 331 CA ASN A 20 7.559 -7.915 4.253 1.00 0.00 C ATOM 332 C ASN A 20 7.543 -6.531 3.637 1.00 0.00 C ATOM 333 O ASN A 20 6.915 -6.323 2.584 1.00 0.00 O ATOM 334 CB ASN A 20 8.226 -8.876 3.256 1.00 0.00 C ATOM 335 CG ASN A 20 9.744 -8.715 3.131 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.301 -7.629 3.328 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.409 -9.782 2.757 1.00 0.00 N ATOM 0 H ASN A 20 5.828 -8.992 3.816 1.00 0.00 H new ATOM 0 HA ASN A 20 8.111 -7.923 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.006 -9.900 3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.776 -8.729 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.418 -9.732 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.917 -10.662 2.603 1.00 0.00 H new ATOM 344 N PHE A 21 8.234 -5.607 4.266 1.00 0.00 N ATOM 345 CA PHE A 21 8.368 -4.232 3.789 1.00 0.00 C ATOM 346 C PHE A 21 8.873 -4.204 2.346 1.00 0.00 C ATOM 347 O PHE A 21 8.400 -3.422 1.518 1.00 0.00 O ATOM 348 CB PHE A 21 9.356 -3.456 4.700 1.00 0.00 C ATOM 349 CG PHE A 21 9.681 -2.060 4.219 1.00 0.00 C ATOM 350 CD1 PHE A 21 10.747 -1.839 3.357 1.00 0.00 C ATOM 351 CD2 PHE A 21 8.916 -0.982 4.608 1.00 0.00 C ATOM 352 CE1 PHE A 21 11.030 -0.581 2.895 1.00 0.00 C ATOM 353 CE2 PHE A 21 9.201 0.286 4.151 1.00 0.00 C ATOM 354 CZ PHE A 21 10.259 0.484 3.292 1.00 0.00 C ATOM 0 H PHE A 21 8.730 -5.784 5.139 1.00 0.00 H new ATOM 0 HA PHE A 21 7.387 -3.758 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.934 -3.393 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.282 -4.025 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.362 -2.671 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.083 -1.133 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.858 -0.427 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.596 1.123 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.482 1.477 2.930 1.00 0.00 H new ATOM 364 N ASN A 22 9.783 -5.109 2.045 1.00 0.00 N ATOM 365 CA ASN A 22 10.464 -5.129 0.755 1.00 0.00 C ATOM 366 C ASN A 22 9.524 -5.559 -0.330 1.00 0.00 C ATOM 367 O ASN A 22 9.620 -5.108 -1.469 1.00 0.00 O ATOM 368 CB ASN A 22 11.685 -6.053 0.790 1.00 0.00 C ATOM 369 CG ASN A 22 12.728 -5.616 1.802 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.625 -4.838 1.489 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.632 -6.117 3.012 1.00 0.00 N ATOM 0 H ASN A 22 10.074 -5.851 2.682 1.00 0.00 H new ATOM 0 HA ASN A 22 10.807 -4.116 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.360 -7.067 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.138 -6.085 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.315 -5.862 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.874 -6.761 3.239 1.00 0.00 H new ATOM 378 N LEU A 23 8.590 -6.397 0.034 1.00 0.00 N ATOM 379 CA LEU A 23 7.633 -6.888 -0.901 1.00 0.00 C ATOM 380 C LEU A 23 6.593 -5.816 -1.180 1.00 0.00 C ATOM 381 O LEU A 23 6.234 -5.596 -2.322 1.00 0.00 O ATOM 382 CB LEU A 23 6.999 -8.182 -0.399 1.00 0.00 C ATOM 383 CG LEU A 23 6.003 -8.866 -1.338 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.629 -9.111 -2.699 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.565 -10.181 -0.740 1.00 0.00 C ATOM 0 H LEU A 23 8.478 -6.752 0.983 1.00 0.00 H new ATOM 0 HA LEU A 23 8.135 -7.125 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.798 -8.889 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.490 -7.970 0.541 1.00 0.00 H new ATOM 0 HG LEU A 23 5.140 -8.212 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.904 -9.598 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.930 -8.160 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.504 -9.752 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.856 -10.667 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.433 -10.825 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.089 -10.002 0.224 1.00 0.00 H new ATOM 397 N VAL A 24 6.154 -5.116 -0.137 1.00 0.00 N ATOM 398 CA VAL A 24 5.183 -4.024 -0.300 1.00 0.00 C ATOM 399 C VAL A 24 5.785 -2.913 -1.149 1.00 0.00 C ATOM 400 O VAL A 24 5.143 -2.411 -2.071 1.00 0.00 O ATOM 401 CB VAL A 24 4.722 -3.439 1.055 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.687 -2.332 0.860 1.00 0.00 C ATOM 403 CG2 VAL A 24 4.159 -4.526 1.922 1.00 0.00 C ATOM 0 H VAL A 24 6.449 -5.279 0.826 1.00 0.00 H new ATOM 0 HA VAL A 24 4.309 -4.446 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 24 5.592 -3.003 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.384 -1.942 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.122 -1.528 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.816 -2.735 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.838 -4.103 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.306 -4.985 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.924 -5.282 2.101 1.00 0.00 H new ATOM 413 N MET A 25 7.041 -2.574 -0.858 1.00 0.00 N ATOM 414 CA MET A 25 7.781 -1.555 -1.607 1.00 0.00 C ATOM 415 C MET A 25 7.835 -1.928 -3.092 1.00 0.00 C ATOM 416 O MET A 25 7.744 -1.059 -3.968 1.00 0.00 O ATOM 417 CB MET A 25 9.200 -1.383 -1.015 1.00 0.00 C ATOM 418 CG MET A 25 10.070 -0.341 -1.712 1.00 0.00 C ATOM 419 SD MET A 25 11.719 -0.182 -0.965 1.00 0.00 S ATOM 420 CE MET A 25 12.405 -1.817 -1.271 1.00 0.00 C ATOM 0 H MET A 25 7.574 -2.996 -0.098 1.00 0.00 H new ATOM 0 HA MET A 25 7.264 -0.599 -1.520 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.108 -1.112 0.037 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.712 -2.345 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.177 -0.609 -2.763 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.567 0.625 -1.679 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.489 -1.746 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.153 -2.478 -0.442 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.990 -2.219 -2.195 1.00 0.00 H new ATOM 430 N GLN A 26 7.927 -3.226 -3.354 1.00 0.00 N ATOM 431 CA GLN A 26 7.933 -3.763 -4.702 1.00 0.00 C ATOM 432 C GLN A 26 6.531 -3.720 -5.316 1.00 0.00 C ATOM 433 O GLN A 26 6.392 -3.385 -6.478 1.00 0.00 O ATOM 434 CB GLN A 26 8.470 -5.192 -4.703 1.00 0.00 C ATOM 435 CG GLN A 26 8.382 -5.894 -6.047 1.00 0.00 C ATOM 436 CD GLN A 26 8.860 -7.320 -5.990 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.774 -7.974 -4.953 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.323 -7.828 -7.094 1.00 0.00 N ATOM 0 H GLN A 26 8.000 -3.939 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 26 8.589 -3.142 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.512 -5.176 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.919 -5.775 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.349 -5.875 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.975 -5.345 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.379 -7.254 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.630 -8.800 -7.119 1.00 0.00 H new ATOM 447 N ILE A 27 5.504 -4.068 -4.530 1.00 0.00 N ATOM 448 CA ILE A 27 4.096 -4.022 -4.993 1.00 0.00 C ATOM 449 C ILE A 27 3.769 -2.613 -5.473 1.00 0.00 C ATOM 450 O ILE A 27 3.282 -2.407 -6.598 1.00 0.00 O ATOM 451 CB ILE A 27 3.090 -4.403 -3.842 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.336 -5.830 -3.310 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.628 -4.236 -4.281 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.191 -6.926 -4.342 1.00 0.00 C ATOM 0 H ILE A 27 5.614 -4.386 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 27 3.989 -4.746 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 27 3.277 -3.705 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.340 -5.877 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.639 -6.024 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.968 -4.509 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.449 -3.198 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.429 -4.882 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.382 -7.892 -3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.179 -6.913 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.907 -6.764 -5.148 1.00 0.00 H new ATOM 466 N LEU A 28 4.099 -1.656 -4.628 1.00 0.00 N ATOM 467 CA LEU A 28 3.880 -0.247 -4.892 1.00 0.00 C ATOM 468 C LEU A 28 4.671 0.193 -6.117 1.00 0.00 C ATOM 469 O LEU A 28 4.180 0.927 -6.953 1.00 0.00 O ATOM 470 CB LEU A 28 4.313 0.561 -3.677 1.00 0.00 C ATOM 471 CG LEU A 28 3.612 0.222 -2.359 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.237 0.997 -1.229 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.116 0.504 -2.435 1.00 0.00 C ATOM 0 H LEU A 28 4.534 -1.839 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 28 2.821 -0.079 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.386 0.426 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.149 1.617 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 28 3.738 -0.845 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.732 0.750 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.293 0.738 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.139 2.065 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.649 0.252 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.955 1.561 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.672 -0.099 -3.227 1.00 0.00 H new ATOM 485 N ASP A 29 5.888 -0.303 -6.221 1.00 0.00 N ATOM 486 CA ASP A 29 6.789 0.001 -7.342 1.00 0.00 C ATOM 487 C ASP A 29 6.228 -0.526 -8.639 1.00 0.00 C ATOM 488 O ASP A 29 6.165 0.171 -9.646 1.00 0.00 O ATOM 489 CB ASP A 29 8.125 -0.684 -7.109 1.00 0.00 C ATOM 490 CG ASP A 29 9.128 -0.430 -8.217 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.605 0.724 -8.367 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.495 -1.384 -8.923 1.00 0.00 O ATOM 0 H ASP A 29 6.293 -0.935 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 29 6.902 1.083 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.543 -0.339 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.964 -1.758 -7.013 1.00 0.00 H new ATOM 497 N GLU A 30 5.805 -1.753 -8.575 1.00 0.00 N ATOM 498 CA GLU A 30 5.319 -2.502 -9.709 1.00 0.00 C ATOM 499 C GLU A 30 4.062 -1.841 -10.310 1.00 0.00 C ATOM 500 O GLU A 30 3.932 -1.735 -11.540 1.00 0.00 O ATOM 501 CB GLU A 30 5.052 -3.938 -9.268 1.00 0.00 C ATOM 502 CG GLU A 30 5.181 -4.978 -10.359 1.00 0.00 C ATOM 503 CD GLU A 30 5.012 -6.371 -9.817 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.867 -6.813 -9.028 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.040 -7.055 -10.169 1.00 0.00 O ATOM 0 H GLU A 30 5.786 -2.284 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 30 6.071 -2.509 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.744 -4.189 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.046 -3.993 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.432 -4.793 -11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.157 -4.888 -10.835 1.00 0.00 H new ATOM 512 N ILE A 31 3.140 -1.389 -9.456 1.00 0.00 N ATOM 513 CA ILE A 31 1.975 -0.664 -9.952 1.00 0.00 C ATOM 514 C ILE A 31 2.380 0.735 -10.439 1.00 0.00 C ATOM 515 O ILE A 31 1.902 1.193 -11.462 1.00 0.00 O ATOM 516 CB ILE A 31 0.813 -0.549 -8.909 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.258 0.191 -7.642 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.270 -1.919 -8.557 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.174 0.368 -6.608 1.00 0.00 C ATOM 0 H ILE A 31 3.177 -1.509 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 31 1.589 -1.253 -10.784 1.00 0.00 H new ATOM 0 HB ILE A 31 0.018 0.035 -9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.088 -0.353 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.637 1.173 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.536 -1.815 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.112 -2.401 -9.457 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.067 -2.527 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.577 0.901 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.648 0.941 -7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.191 -0.609 -6.292 1.00 0.00 H new ATOM 531 N GLU A 32 3.307 1.366 -9.716 1.00 0.00 N ATOM 532 CA GLU A 32 3.800 2.713 -10.010 1.00 0.00 C ATOM 533 C GLU A 32 4.409 2.786 -11.407 1.00 0.00 C ATOM 534 O GLU A 32 4.044 3.658 -12.209 1.00 0.00 O ATOM 535 CB GLU A 32 4.840 3.107 -8.954 1.00 0.00 C ATOM 536 CG GLU A 32 5.468 4.473 -9.120 1.00 0.00 C ATOM 537 CD GLU A 32 6.483 4.749 -8.035 1.00 0.00 C ATOM 538 OE1 GLU A 32 7.669 4.383 -8.208 1.00 0.00 O ATOM 539 OE2 GLU A 32 6.124 5.322 -6.977 1.00 0.00 O ATOM 0 H GLU A 32 3.744 0.948 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 32 2.962 3.409 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.367 3.063 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.634 2.361 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.950 4.538 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.691 5.237 -9.097 1.00 0.00 H new ATOM 546 N LEU A 33 5.307 1.861 -11.698 1.00 0.00 N ATOM 547 CA LEU A 33 5.985 1.822 -12.986 1.00 0.00 C ATOM 548 C LEU A 33 5.025 1.531 -14.141 1.00 0.00 C ATOM 549 O LEU A 33 5.220 2.025 -15.248 1.00 0.00 O ATOM 550 CB LEU A 33 7.226 0.874 -12.964 1.00 0.00 C ATOM 551 CG LEU A 33 7.025 -0.631 -12.632 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.441 -1.415 -13.800 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.334 -1.253 -12.174 1.00 0.00 C ATOM 0 H LEU A 33 5.587 1.120 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 33 6.373 2.823 -13.173 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.701 0.933 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.934 1.278 -12.241 1.00 0.00 H new ATOM 0 HG LEU A 33 6.299 -0.684 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.322 -2.460 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.470 -0.999 -14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.113 -1.348 -14.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.176 -2.307 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.077 -1.161 -12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.689 -0.738 -11.282 1.00 0.00 H new ATOM 565 N ASP A 34 3.994 0.749 -13.876 1.00 0.00 N ATOM 566 CA ASP A 34 2.994 0.445 -14.904 1.00 0.00 C ATOM 567 C ASP A 34 2.061 1.630 -15.129 1.00 0.00 C ATOM 568 O ASP A 34 1.822 2.047 -16.265 1.00 0.00 O ATOM 569 CB ASP A 34 2.177 -0.800 -14.538 1.00 0.00 C ATOM 570 CG ASP A 34 1.055 -1.060 -15.526 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.308 -1.645 -16.599 1.00 0.00 O ATOM 572 OD2 ASP A 34 -0.096 -0.684 -15.240 1.00 0.00 O ATOM 0 H ASP A 34 3.821 0.313 -12.970 1.00 0.00 H new ATOM 0 HA ASP A 34 3.534 0.244 -15.829 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.836 -1.668 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.758 -0.677 -13.539 1.00 0.00 H new ATOM 577 N LEU A 35 1.559 2.163 -14.034 1.00 0.00 N ATOM 578 CA LEU A 35 0.627 3.275 -14.027 1.00 0.00 C ATOM 579 C LEU A 35 1.231 4.536 -14.617 1.00 0.00 C ATOM 580 O LEU A 35 0.570 5.237 -15.396 1.00 0.00 O ATOM 581 CB LEU A 35 0.170 3.547 -12.589 1.00 0.00 C ATOM 582 CG LEU A 35 -0.697 4.785 -12.352 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.028 4.698 -13.068 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.871 5.020 -10.868 1.00 0.00 C ATOM 0 H LEU A 35 1.793 1.827 -13.100 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.223 2.998 -14.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.384 2.675 -12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.058 3.632 -11.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.180 5.645 -12.779 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.608 5.600 -12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.859 4.604 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.577 3.827 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.490 5.903 -10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.354 4.153 -10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.105 5.173 -10.407 1.00 0.00 H new ATOM 596 N ARG A 36 2.454 4.868 -14.169 1.00 0.00 N ATOM 597 CA ARG A 36 3.189 6.084 -14.588 1.00 0.00 C ATOM 598 C ARG A 36 2.470 7.367 -14.171 1.00 0.00 C ATOM 599 O ARG A 36 2.854 8.472 -14.557 1.00 0.00 O ATOM 600 CB ARG A 36 3.489 6.085 -16.096 1.00 0.00 C ATOM 601 CG ARG A 36 4.481 5.014 -16.534 1.00 0.00 C ATOM 602 CD ARG A 36 5.784 5.133 -15.748 1.00 0.00 C ATOM 603 NE ARG A 36 6.303 6.504 -15.766 1.00 0.00 N ATOM 604 CZ ARG A 36 7.147 7.017 -14.865 1.00 0.00 C ATOM 605 NH1 ARG A 36 7.712 6.241 -13.940 1.00 0.00 N ATOM 606 NH2 ARG A 36 7.440 8.301 -14.905 1.00 0.00 N ATOM 0 H ARG A 36 2.969 4.297 -13.499 1.00 0.00 H new ATOM 0 HA ARG A 36 4.143 6.060 -14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.556 5.945 -16.641 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.879 7.063 -16.377 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.048 4.026 -16.382 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.683 5.113 -17.601 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.617 4.820 -14.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.527 4.457 -16.170 1.00 0.00 H new ATOM 0 HE ARG A 36 5.997 7.113 -16.524 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.502 5.243 -13.914 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.354 6.645 -13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.024 8.897 -15.620 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.083 8.699 -14.221 1.00 0.00 H new ATOM 620 N GLY A 37 1.469 7.193 -13.337 1.00 0.00 N ATOM 621 CA GLY A 37 0.646 8.276 -12.883 1.00 0.00 C ATOM 622 C GLY A 37 -0.348 8.725 -13.940 1.00 0.00 C ATOM 623 O GLY A 37 -0.980 9.768 -13.790 1.00 0.00 O ATOM 0 H GLY A 37 1.206 6.284 -12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.107 7.969 -11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.279 9.118 -12.601 1.00 0.00 H new ATOM 627 N SER A 38 -0.519 7.937 -14.994 1.00 0.00 N ATOM 628 CA SER A 38 -1.365 8.357 -16.082 1.00 0.00 C ATOM 629 C SER A 38 -2.475 7.362 -16.483 1.00 0.00 C ATOM 630 O SER A 38 -3.635 7.771 -16.629 1.00 0.00 O ATOM 631 CB SER A 38 -0.490 8.708 -17.279 1.00 0.00 C ATOM 632 OG SER A 38 0.415 7.648 -17.564 1.00 0.00 O ATOM 0 H SER A 38 -0.087 7.020 -15.110 1.00 0.00 H new ATOM 0 HA SER A 38 -1.912 9.229 -15.723 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.116 8.903 -18.150 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.066 9.623 -17.075 1.00 0.00 H new ATOM 0 HG SER A 38 0.968 7.889 -18.336 1.00 0.00 H new ATOM 638 N ASP A 39 -2.154 6.070 -16.644 1.00 0.00 N ATOM 639 CA ASP A 39 -3.152 5.141 -17.218 1.00 0.00 C ATOM 640 C ASP A 39 -4.227 4.648 -16.226 1.00 0.00 C ATOM 641 O ASP A 39 -5.150 5.398 -15.889 1.00 0.00 O ATOM 642 CB ASP A 39 -2.518 3.980 -18.017 1.00 0.00 C ATOM 643 CG ASP A 39 -3.552 3.186 -18.813 1.00 0.00 C ATOM 644 OD1 ASP A 39 -3.939 3.628 -19.911 1.00 0.00 O ATOM 645 OD2 ASP A 39 -4.000 2.118 -18.364 1.00 0.00 O ATOM 0 H ASP A 39 -1.256 5.653 -16.400 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.694 5.758 -17.934 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.768 4.380 -18.699 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.000 3.310 -17.330 1.00 0.00 H new ATOM 650 N ASN A 40 -4.102 3.429 -15.737 1.00 0.00 N ATOM 651 CA ASN A 40 -5.119 2.848 -14.858 1.00 0.00 C ATOM 652 C ASN A 40 -4.475 2.041 -13.773 1.00 0.00 C ATOM 653 O ASN A 40 -4.001 0.927 -14.011 1.00 0.00 O ATOM 654 CB ASN A 40 -6.107 1.936 -15.620 1.00 0.00 C ATOM 655 CG ASN A 40 -7.033 2.651 -16.582 1.00 0.00 C ATOM 656 OD1 ASN A 40 -8.128 3.073 -16.218 1.00 0.00 O ATOM 657 ND2 ASN A 40 -6.614 2.793 -17.803 1.00 0.00 N ATOM 0 H ASN A 40 -3.310 2.816 -15.929 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.674 3.686 -14.436 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.536 1.192 -16.176 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.712 1.395 -14.893 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.199 3.266 -18.491 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.700 2.431 -18.074 1.00 0.00 H new ATOM 664 N ILE A 41 -4.486 2.569 -12.578 1.00 0.00 N ATOM 665 CA ILE A 41 -3.851 1.915 -11.452 1.00 0.00 C ATOM 666 C ILE A 41 -4.635 0.671 -11.067 1.00 0.00 C ATOM 667 O ILE A 41 -4.076 -0.305 -10.603 1.00 0.00 O ATOM 668 CB ILE A 41 -3.686 2.861 -10.236 1.00 0.00 C ATOM 669 CG1 ILE A 41 -2.943 2.162 -9.089 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.025 3.406 -9.782 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.713 3.033 -7.889 1.00 0.00 C ATOM 0 H ILE A 41 -4.931 3.459 -12.353 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.846 1.626 -11.761 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.078 3.709 -10.551 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.512 1.284 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.980 1.807 -9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.878 4.067 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.486 3.964 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.675 2.580 -9.494 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.183 2.466 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.117 3.899 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.672 3.368 -7.493 1.00 0.00 H new ATOM 683 N LYS A 42 -5.935 0.706 -11.323 1.00 0.00 N ATOM 684 CA LYS A 42 -6.806 -0.435 -11.087 1.00 0.00 C ATOM 685 C LYS A 42 -6.337 -1.632 -11.903 1.00 0.00 C ATOM 686 O LYS A 42 -6.377 -2.762 -11.447 1.00 0.00 O ATOM 687 CB LYS A 42 -8.259 -0.094 -11.452 1.00 0.00 C ATOM 688 CG LYS A 42 -8.409 0.539 -12.844 1.00 0.00 C ATOM 689 CD LYS A 42 -9.856 0.633 -13.294 1.00 0.00 C ATOM 690 CE LYS A 42 -10.412 -0.737 -13.660 1.00 0.00 C ATOM 691 NZ LYS A 42 -9.700 -1.336 -14.825 1.00 0.00 N ATOM 0 H LYS A 42 -6.414 1.524 -11.699 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.762 -0.684 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.859 -1.003 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.662 0.590 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.971 1.537 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.845 -0.049 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.459 1.072 -12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.929 1.299 -14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.327 -1.404 -12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.474 -0.648 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.230 -2.162 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.626 -0.631 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.747 -1.633 -14.534 1.00 0.00 H new ATOM 705 N THR A 43 -5.861 -1.353 -13.085 1.00 0.00 N ATOM 706 CA THR A 43 -5.406 -2.355 -13.978 1.00 0.00 C ATOM 707 C THR A 43 -3.993 -2.794 -13.570 1.00 0.00 C ATOM 708 O THR A 43 -3.662 -3.980 -13.637 1.00 0.00 O ATOM 709 CB THR A 43 -5.457 -1.803 -15.406 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.775 -1.215 -15.596 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.261 -2.915 -16.430 1.00 0.00 C ATOM 0 H THR A 43 -5.782 -0.404 -13.451 1.00 0.00 H new ATOM 0 HA THR A 43 -6.045 -3.237 -13.937 1.00 0.00 H new ATOM 0 HB THR A 43 -4.662 -1.070 -15.545 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.842 -0.849 -16.503 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.302 -2.495 -17.435 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.291 -3.387 -16.273 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.050 -3.659 -16.315 1.00 0.00 H new ATOM 719 N SER A 44 -3.194 -1.839 -13.085 1.00 0.00 N ATOM 720 CA SER A 44 -1.871 -2.120 -12.556 1.00 0.00 C ATOM 721 C SER A 44 -1.987 -3.106 -11.384 1.00 0.00 C ATOM 722 O SER A 44 -1.225 -4.083 -11.290 1.00 0.00 O ATOM 723 CB SER A 44 -1.236 -0.820 -12.081 1.00 0.00 C ATOM 724 OG SER A 44 -1.310 0.162 -13.091 1.00 0.00 O ATOM 0 H SER A 44 -3.453 -0.853 -13.051 1.00 0.00 H new ATOM 0 HA SER A 44 -1.248 -2.563 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.744 -0.467 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.195 -0.994 -11.810 1.00 0.00 H new ATOM 0 HG SER A 44 -1.103 -0.245 -13.958 1.00 0.00 H new ATOM 730 N ILE A 45 -2.984 -2.851 -10.517 1.00 0.00 N ATOM 731 CA ILE A 45 -3.296 -3.696 -9.366 1.00 0.00 C ATOM 732 C ILE A 45 -3.541 -5.138 -9.825 1.00 0.00 C ATOM 733 O ILE A 45 -3.066 -6.084 -9.202 1.00 0.00 O ATOM 734 CB ILE A 45 -4.567 -3.153 -8.601 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.292 -1.797 -7.915 1.00 0.00 C ATOM 736 CG2 ILE A 45 -5.130 -4.159 -7.601 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.259 -1.846 -6.804 1.00 0.00 C ATOM 0 H ILE A 45 -3.598 -2.041 -10.603 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.446 -3.675 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.329 -2.998 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.960 -1.084 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.228 -1.416 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.002 -3.731 -7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.421 -5.069 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.370 -4.396 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.132 -0.849 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.595 -2.530 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.308 -2.193 -7.207 1.00 0.00 H new ATOM 749 N ILE A 46 -4.250 -5.283 -10.942 1.00 0.00 N ATOM 750 CA ILE A 46 -4.587 -6.586 -11.491 1.00 0.00 C ATOM 751 C ILE A 46 -3.337 -7.419 -11.767 1.00 0.00 C ATOM 752 O ILE A 46 -3.243 -8.541 -11.292 1.00 0.00 O ATOM 753 CB ILE A 46 -5.454 -6.478 -12.781 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.759 -5.729 -12.479 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.758 -7.870 -13.351 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.653 -5.513 -13.686 1.00 0.00 C ATOM 0 H ILE A 46 -4.605 -4.499 -11.489 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.182 -7.092 -10.731 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.891 -5.919 -13.529 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.316 -6.285 -11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.515 -4.759 -12.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.364 -7.770 -14.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.824 -8.374 -13.597 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.302 -8.456 -12.610 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.552 -4.977 -13.382 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.118 -4.929 -14.435 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.932 -6.478 -14.110 1.00 0.00 H new ATOM 768 N TYR A 47 -2.365 -6.853 -12.479 1.00 0.00 N ATOM 769 CA TYR A 47 -1.154 -7.607 -12.849 1.00 0.00 C ATOM 770 C TYR A 47 -0.395 -8.032 -11.599 1.00 0.00 C ATOM 771 O TYR A 47 -0.111 -9.215 -11.386 1.00 0.00 O ATOM 772 CB TYR A 47 -0.191 -6.765 -13.699 1.00 0.00 C ATOM 773 CG TYR A 47 -0.804 -6.037 -14.864 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.362 -6.713 -15.940 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.796 -4.660 -14.890 1.00 0.00 C ATOM 776 CE1 TYR A 47 -1.903 -6.019 -17.007 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.333 -3.957 -15.937 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.887 -4.638 -17.001 1.00 0.00 C ATOM 779 OH TYR A 47 -2.421 -3.942 -18.063 1.00 0.00 O ATOM 0 H TYR A 47 -2.384 -5.889 -12.811 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.490 -8.471 -13.423 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.289 -6.032 -13.050 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.595 -7.419 -14.077 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.374 -7.793 -15.944 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.355 -4.121 -14.065 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.335 -6.554 -17.840 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.322 -2.877 -15.929 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.331 -2.980 -17.902 1.00 0.00 H new ATOM 789 N VAL A 48 -0.131 -7.052 -10.758 1.00 0.00 N ATOM 790 CA VAL A 48 0.681 -7.219 -9.572 1.00 0.00 C ATOM 791 C VAL A 48 0.067 -8.218 -8.591 1.00 0.00 C ATOM 792 O VAL A 48 0.751 -9.137 -8.113 1.00 0.00 O ATOM 793 CB VAL A 48 0.920 -5.854 -8.888 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.810 -5.991 -7.663 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.531 -4.884 -9.882 1.00 0.00 C ATOM 0 H VAL A 48 -0.481 -6.102 -10.883 1.00 0.00 H new ATOM 0 HA VAL A 48 1.641 -7.629 -9.886 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.042 -5.468 -8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.956 -5.011 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.337 -6.659 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.776 -6.401 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.698 -3.923 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.481 -5.280 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.853 -4.752 -10.725 1.00 0.00 H new ATOM 805 N TYR A 49 -1.215 -8.079 -8.329 1.00 0.00 N ATOM 806 CA TYR A 49 -1.891 -8.961 -7.395 1.00 0.00 C ATOM 807 C TYR A 49 -1.953 -10.382 -7.917 1.00 0.00 C ATOM 808 O TYR A 49 -1.777 -11.313 -7.161 1.00 0.00 O ATOM 809 CB TYR A 49 -3.291 -8.450 -7.015 1.00 0.00 C ATOM 810 CG TYR A 49 -3.315 -7.242 -6.074 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.254 -6.336 -6.007 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.407 -7.019 -5.249 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.290 -5.254 -5.154 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.451 -5.935 -4.394 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.390 -5.056 -4.351 1.00 0.00 C ATOM 816 OH TYR A 49 -3.430 -3.978 -3.509 1.00 0.00 O ATOM 0 H TYR A 49 -1.812 -7.365 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.294 -8.963 -6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.824 -8.188 -7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.842 -9.265 -6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.389 -6.486 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.240 -7.706 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.459 -4.565 -5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.313 -5.777 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.841 -4.242 -2.659 1.00 0.00 H new ATOM 826 N SER A 50 -2.130 -10.536 -9.219 1.00 0.00 N ATOM 827 CA SER A 50 -2.226 -11.859 -9.817 1.00 0.00 C ATOM 828 C SER A 50 -0.859 -12.563 -9.847 1.00 0.00 C ATOM 829 O SER A 50 -0.779 -13.792 -9.861 1.00 0.00 O ATOM 830 CB SER A 50 -2.804 -11.752 -11.217 1.00 0.00 C ATOM 831 OG SER A 50 -4.022 -11.011 -11.200 1.00 0.00 O ATOM 0 H SER A 50 -2.210 -9.764 -9.881 1.00 0.00 H new ATOM 0 HA SER A 50 -2.892 -12.464 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.085 -11.266 -11.877 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.984 -12.749 -11.620 1.00 0.00 H new ATOM 0 HG SER A 50 -3.851 -10.094 -11.499 1.00 0.00 H new ATOM 837 N SER A 51 0.199 -11.791 -9.852 1.00 0.00 N ATOM 838 CA SER A 51 1.523 -12.345 -9.849 1.00 0.00 C ATOM 839 C SER A 51 1.958 -12.690 -8.423 1.00 0.00 C ATOM 840 O SER A 51 2.545 -13.747 -8.172 1.00 0.00 O ATOM 841 CB SER A 51 2.503 -11.359 -10.496 1.00 0.00 C ATOM 842 OG SER A 51 3.830 -11.853 -10.475 1.00 0.00 O ATOM 0 H SER A 51 0.165 -10.772 -9.858 1.00 0.00 H new ATOM 0 HA SER A 51 1.522 -13.266 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.201 -11.168 -11.526 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.461 -10.405 -9.970 1.00 0.00 H new ATOM 0 HG SER A 51 4.428 -11.201 -10.896 1.00 0.00 H new ATOM 848 N HIS A 52 1.627 -11.825 -7.488 1.00 0.00 N ATOM 849 CA HIS A 52 2.068 -11.975 -6.101 1.00 0.00 C ATOM 850 C HIS A 52 0.924 -12.500 -5.230 1.00 0.00 C ATOM 851 O HIS A 52 0.848 -12.173 -4.041 1.00 0.00 O ATOM 852 CB HIS A 52 2.554 -10.613 -5.542 1.00 0.00 C ATOM 853 CG HIS A 52 3.729 -9.979 -6.265 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.022 -10.020 -5.794 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.779 -9.226 -7.390 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.803 -9.319 -6.589 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.074 -8.831 -7.558 1.00 0.00 N ATOM 0 H HIS A 52 1.050 -11.001 -7.657 1.00 0.00 H new ATOM 0 HA HIS A 52 2.891 -12.689 -6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.718 -9.914 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.827 -10.749 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.947 -8.983 -8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.865 -9.172 -6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.419 -8.247 -8.320 1.00 0.00 H new ATOM 866 N LEU A 53 0.097 -13.375 -5.812 1.00 0.00 N ATOM 867 CA LEU A 53 -1.130 -13.928 -5.167 1.00 0.00 C ATOM 868 C LEU A 53 -0.934 -14.420 -3.751 1.00 0.00 C ATOM 869 O LEU A 53 -1.765 -14.152 -2.894 1.00 0.00 O ATOM 870 CB LEU A 53 -1.709 -15.080 -5.981 1.00 0.00 C ATOM 871 CG LEU A 53 -2.382 -14.730 -7.290 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.759 -15.995 -8.021 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.628 -13.896 -7.043 1.00 0.00 C ATOM 0 H LEU A 53 0.250 -13.732 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.813 -13.079 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.903 -15.783 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.434 -15.604 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.686 -14.150 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.244 -15.740 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.862 -16.581 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.444 -16.579 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.099 -13.654 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.327 -14.460 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.353 -12.975 -6.530 1.00 0.00 H new ATOM 885 N ASP A 54 0.155 -15.124 -3.515 1.00 0.00 N ATOM 886 CA ASP A 54 0.417 -15.750 -2.206 1.00 0.00 C ATOM 887 C ASP A 54 0.339 -14.743 -1.057 1.00 0.00 C ATOM 888 O ASP A 54 -0.398 -14.953 -0.102 1.00 0.00 O ATOM 889 CB ASP A 54 1.779 -16.463 -2.218 1.00 0.00 C ATOM 890 CG ASP A 54 2.129 -17.166 -0.913 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.486 -18.194 -0.579 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.105 -16.754 -0.234 1.00 0.00 O ATOM 0 H ASP A 54 0.885 -15.286 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.366 -16.488 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.785 -17.196 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.556 -15.733 -2.444 1.00 0.00 H new ATOM 897 N GLU A 55 1.043 -13.633 -1.178 1.00 0.00 N ATOM 898 CA GLU A 55 1.032 -12.627 -0.124 1.00 0.00 C ATOM 899 C GLU A 55 -0.293 -11.857 -0.112 1.00 0.00 C ATOM 900 O GLU A 55 -0.802 -11.490 0.959 1.00 0.00 O ATOM 901 CB GLU A 55 2.220 -11.682 -0.240 1.00 0.00 C ATOM 902 CG GLU A 55 2.443 -10.824 1.000 1.00 0.00 C ATOM 903 CD GLU A 55 2.748 -11.649 2.237 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.817 -12.309 2.285 1.00 0.00 O ATOM 905 OE2 GLU A 55 1.961 -11.632 3.199 1.00 0.00 O ATOM 0 H GLU A 55 1.624 -13.403 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 55 1.124 -13.148 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.120 -12.266 -0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.072 -11.030 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.267 -10.134 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.555 -10.218 1.182 1.00 0.00 H new ATOM 912 N ILE A 56 -0.864 -11.649 -1.306 1.00 0.00 N ATOM 913 CA ILE A 56 -2.140 -10.935 -1.447 1.00 0.00 C ATOM 914 C ILE A 56 -3.225 -11.705 -0.696 1.00 0.00 C ATOM 915 O ILE A 56 -4.093 -11.127 -0.065 1.00 0.00 O ATOM 916 CB ILE A 56 -2.572 -10.778 -2.950 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.496 -10.059 -3.794 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.917 -10.057 -3.077 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.078 -8.698 -3.280 1.00 0.00 C ATOM 0 H ILE A 56 -0.462 -11.965 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.009 -9.935 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.684 -11.788 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.613 -10.696 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.870 -9.946 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.183 -9.967 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.686 -10.627 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.840 -9.063 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.320 -8.277 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.944 -8.037 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.668 -8.799 -2.275 1.00 0.00 H new ATOM 931 N ARG A 57 -3.130 -13.006 -0.765 1.00 0.00 N ATOM 932 CA ARG A 57 -4.041 -13.900 -0.106 1.00 0.00 C ATOM 933 C ARG A 57 -3.803 -13.937 1.405 1.00 0.00 C ATOM 934 O ARG A 57 -4.762 -13.908 2.190 1.00 0.00 O ATOM 935 CB ARG A 57 -3.938 -15.285 -0.749 1.00 0.00 C ATOM 936 CG ARG A 57 -4.700 -16.391 -0.053 1.00 0.00 C ATOM 937 CD ARG A 57 -4.781 -17.613 -0.942 1.00 0.00 C ATOM 938 NE ARG A 57 -5.579 -17.343 -2.147 1.00 0.00 N ATOM 939 CZ ARG A 57 -5.392 -17.901 -3.347 1.00 0.00 C ATOM 940 NH1 ARG A 57 -4.346 -18.677 -3.567 1.00 0.00 N ATOM 941 NH2 ARG A 57 -6.242 -17.655 -4.332 1.00 0.00 N ATOM 0 H ARG A 57 -2.400 -13.483 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.060 -13.535 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.294 -15.215 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.886 -15.567 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.207 -16.647 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.704 -16.048 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.777 -17.923 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.224 -18.440 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.342 -16.671 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.675 -18.853 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.209 -19.100 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.040 -17.039 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.099 -18.081 -5.248 1.00 0.00 H new ATOM 955 N LYS A 58 -2.541 -13.989 1.804 1.00 0.00 N ATOM 956 CA LYS A 58 -2.159 -14.014 3.222 1.00 0.00 C ATOM 957 C LYS A 58 -2.682 -12.797 3.962 1.00 0.00 C ATOM 958 O LYS A 58 -3.312 -12.911 5.015 1.00 0.00 O ATOM 959 CB LYS A 58 -0.644 -14.038 3.367 1.00 0.00 C ATOM 960 CG LYS A 58 0.030 -15.323 2.936 1.00 0.00 C ATOM 961 CD LYS A 58 1.539 -15.144 2.865 1.00 0.00 C ATOM 962 CE LYS A 58 2.131 -14.694 4.190 1.00 0.00 C ATOM 963 NZ LYS A 58 3.562 -14.378 4.056 1.00 0.00 N ATOM 0 H LYS A 58 -1.749 -14.015 1.162 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.597 -14.915 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.227 -13.216 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.393 -13.848 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.214 -16.120 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.351 -15.630 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.000 -16.085 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.780 -14.411 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.595 -13.816 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.998 -15.478 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.898 -13.916 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.098 -15.255 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.702 -13.739 3.248 1.00 0.00 H new ATOM 977 N ASN A 59 -2.433 -11.645 3.412 1.00 0.00 N ATOM 978 CA ASN A 59 -2.808 -10.410 4.062 1.00 0.00 C ATOM 979 C ASN A 59 -3.752 -9.636 3.203 1.00 0.00 C ATOM 980 O ASN A 59 -3.547 -8.451 2.903 1.00 0.00 O ATOM 981 CB ASN A 59 -1.583 -9.579 4.474 1.00 0.00 C ATOM 982 CG ASN A 59 -0.808 -10.228 5.606 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.108 -10.011 6.773 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.200 -11.009 5.288 1.00 0.00 N ATOM 0 H ASN A 59 -1.970 -11.528 2.511 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.327 -10.660 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.927 -9.450 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.907 -8.584 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.754 -11.451 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.429 -11.173 4.308 1.00 0.00 H new ATOM 991 N LYS A 60 -4.816 -10.322 2.830 1.00 0.00 N ATOM 992 CA LYS A 60 -5.860 -9.794 1.963 1.00 0.00 C ATOM 993 C LYS A 60 -6.434 -8.481 2.461 1.00 0.00 C ATOM 994 O LYS A 60 -6.693 -7.599 1.676 1.00 0.00 O ATOM 995 CB LYS A 60 -6.970 -10.833 1.746 1.00 0.00 C ATOM 996 CG LYS A 60 -7.598 -11.366 3.027 1.00 0.00 C ATOM 997 CD LYS A 60 -8.725 -12.322 2.716 1.00 0.00 C ATOM 998 CE LYS A 60 -9.361 -12.873 3.976 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.497 -13.757 3.660 1.00 0.00 N ATOM 0 H LYS A 60 -4.985 -11.283 3.126 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.389 -9.581 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.752 -10.387 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.560 -11.671 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.840 -11.873 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.974 -10.536 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.482 -11.810 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.346 -13.145 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.617 -13.425 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.702 -12.050 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.912 -14.119 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.217 -13.222 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.165 -14.555 3.081 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.576 -8.350 3.768 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.121 -7.156 4.374 1.00 0.00 C ATOM 1015 C GLU A 61 -6.255 -5.947 4.048 1.00 0.00 C ATOM 1016 O GLU A 61 -6.755 -4.907 3.622 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.188 -7.343 5.871 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.975 -8.566 6.301 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.395 -8.541 5.806 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.223 -7.825 6.401 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -9.713 -9.235 4.828 1.00 0.00 O ATOM 0 H GLU A 61 -6.315 -9.073 4.438 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.121 -6.983 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.174 -7.418 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.638 -6.457 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.479 -9.462 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.974 -8.630 7.389 1.00 0.00 H new ATOM 1028 N PHE A 62 -4.953 -6.119 4.210 1.00 0.00 N ATOM 1029 CA PHE A 62 -3.992 -5.071 3.939 1.00 0.00 C ATOM 1030 C PHE A 62 -4.025 -4.702 2.465 1.00 0.00 C ATOM 1031 O PHE A 62 -4.197 -3.535 2.108 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.574 -5.530 4.353 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.473 -4.547 4.027 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.286 -3.414 4.796 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.638 -4.756 2.938 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.294 -2.511 4.489 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.354 -3.855 2.626 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.527 -2.731 3.400 1.00 0.00 C ATOM 0 H PHE A 62 -4.536 -6.992 4.534 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.254 -4.189 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.567 -5.720 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.355 -6.477 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.926 -3.235 5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.769 -5.637 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.157 -1.631 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.996 -4.030 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.304 -2.021 3.157 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.926 -5.708 1.620 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.855 -5.498 0.198 1.00 0.00 C ATOM 1050 C TYR A 63 -5.154 -5.014 -0.419 1.00 0.00 C ATOM 1051 O TYR A 63 -5.126 -4.310 -1.417 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.272 -6.708 -0.527 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.810 -6.915 -0.197 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.835 -6.113 -0.776 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.406 -7.890 0.696 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.503 -6.278 -0.472 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.075 -8.064 1.005 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.877 -7.257 0.418 1.00 0.00 C ATOM 1059 OH TYR A 63 2.205 -7.425 0.728 1.00 0.00 O ATOM 0 H TYR A 63 -3.893 -6.687 1.903 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.158 -4.672 0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.835 -7.600 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.386 -6.576 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.128 -5.346 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.146 -8.526 1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.248 -5.644 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.222 -8.831 1.705 1.00 0.00 H new ATOM 0 HH TYR A 63 2.300 -8.157 1.372 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.276 -5.358 0.172 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.561 -4.885 -0.336 1.00 0.00 C ATOM 1071 C ASP A 64 -7.767 -3.429 0.039 1.00 0.00 C ATOM 1072 O ASP A 64 -8.172 -2.611 -0.798 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.720 -5.737 0.180 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.067 -5.242 -0.298 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.455 -5.546 -1.450 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.781 -4.555 0.473 1.00 0.00 O ATOM 0 H ASP A 64 -6.334 -5.956 0.996 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.544 -4.976 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.580 -6.768 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.705 -5.741 1.270 1.00 0.00 H new ATOM 1081 N MET A 65 -7.456 -3.096 1.291 1.00 0.00 N ATOM 1082 CA MET A 65 -7.572 -1.731 1.762 1.00 0.00 C ATOM 1083 C MET A 65 -6.651 -0.795 1.018 1.00 0.00 C ATOM 1084 O MET A 65 -7.085 0.265 0.575 1.00 0.00 O ATOM 1085 CB MET A 65 -7.371 -1.611 3.275 1.00 0.00 C ATOM 1086 CG MET A 65 -8.521 -2.174 4.079 1.00 0.00 C ATOM 1087 SD MET A 65 -8.397 -1.849 5.861 1.00 0.00 S ATOM 1088 CE MET A 65 -7.018 -2.894 6.312 1.00 0.00 C ATOM 0 H MET A 65 -7.123 -3.758 1.992 1.00 0.00 H new ATOM 0 HA MET A 65 -8.597 -1.427 1.550 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.454 -2.129 3.555 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.236 -0.561 3.534 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.454 -1.752 3.706 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.572 -3.251 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.377 -2.366 7.019 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.390 -3.809 6.773 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.445 -3.145 5.420 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.389 -1.190 0.831 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.471 -0.324 0.112 1.00 0.00 C ATOM 1100 C ILE A 66 -4.898 -0.147 -1.330 1.00 0.00 C ATOM 1101 O ILE A 66 -4.813 0.941 -1.843 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.967 -0.734 0.168 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.730 -2.124 -0.403 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.438 -0.648 1.585 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.268 -2.448 -0.602 1.00 0.00 C ATOM 0 H ILE A 66 -4.996 -2.073 1.157 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.535 0.622 0.649 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.420 -0.027 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.171 -2.864 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.247 -2.209 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.388 -0.938 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.537 0.375 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.009 -1.318 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.171 -3.453 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.827 -1.730 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.750 -2.395 0.355 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.429 -1.210 -1.944 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.838 -1.187 -3.354 1.00 0.00 C ATOM 1119 C ALA A 67 -6.788 -0.038 -3.653 1.00 0.00 C ATOM 1120 O ALA A 67 -6.595 0.700 -4.624 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.476 -2.508 -3.757 1.00 0.00 C ATOM 0 H ALA A 67 -5.587 -2.105 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.934 -1.035 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.770 -2.465 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.759 -3.317 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.356 -2.690 -3.141 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.788 0.141 -2.811 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.745 1.202 -3.035 1.00 0.00 C ATOM 1129 C GLU A 68 -8.178 2.577 -2.658 1.00 0.00 C ATOM 1130 O GLU A 68 -8.461 3.576 -3.339 1.00 0.00 O ATOM 1131 CB GLU A 68 -10.092 0.923 -2.359 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.043 0.716 -0.857 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.415 0.503 -0.281 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.885 -0.646 -0.228 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.073 1.491 0.112 1.00 0.00 O ATOM 0 H GLU A 68 -7.956 -0.425 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.939 1.227 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.763 1.755 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.530 0.035 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.415 -0.145 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.580 1.583 -0.385 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.357 2.622 -1.604 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.710 3.872 -1.168 1.00 0.00 C ATOM 1144 C ILE A 69 -5.762 4.374 -2.247 1.00 0.00 C ATOM 1145 O ILE A 69 -5.763 5.560 -2.580 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.905 3.689 0.146 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.817 3.267 1.285 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.151 4.973 0.520 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.068 2.980 2.559 1.00 0.00 C ATOM 0 H ILE A 69 -7.122 1.809 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.507 4.594 -0.988 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.173 2.900 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.548 4.054 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.373 2.378 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.597 4.813 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.457 5.233 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.864 5.786 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.772 2.683 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.355 2.173 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.533 3.875 2.876 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.970 3.455 -2.793 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.010 3.747 -3.849 1.00 0.00 C ATOM 1163 C LEU A 70 -4.679 4.459 -5.010 1.00 0.00 C ATOM 1164 O LEU A 70 -4.190 5.469 -5.478 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.330 2.452 -4.331 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.401 1.749 -3.326 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -2.014 0.374 -3.828 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.152 2.575 -3.074 1.00 0.00 C ATOM 0 H LEU A 70 -4.978 2.475 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.247 4.410 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.108 1.748 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.752 2.683 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.945 1.643 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.357 -0.106 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.911 -0.231 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.495 0.468 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.511 2.057 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.613 2.715 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.434 3.547 -2.670 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.827 3.956 -5.424 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.573 4.549 -6.536 1.00 0.00 C ATOM 1182 C GLN A 71 -7.082 5.944 -6.158 1.00 0.00 C ATOM 1183 O GLN A 71 -6.871 6.926 -6.880 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.754 3.649 -6.908 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.354 2.210 -7.186 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.514 1.331 -7.579 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.480 1.789 -8.189 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.451 0.082 -7.205 1.00 0.00 N ATOM 0 H GLN A 71 -6.270 3.136 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.906 4.642 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.483 3.665 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.248 4.057 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.610 2.195 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.878 1.795 -6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.632 -0.259 -6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.220 -0.553 -7.417 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.685 6.006 -4.992 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.300 7.182 -4.437 1.00 0.00 C ATOM 1199 C ARG A 72 -7.289 8.323 -4.283 1.00 0.00 C ATOM 1200 O ARG A 72 -7.504 9.444 -4.754 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.829 6.748 -3.088 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.650 7.725 -2.308 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.189 7.006 -1.090 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.992 5.835 -1.488 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.160 4.702 -0.780 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -10.598 4.533 0.412 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -11.886 3.734 -1.286 1.00 0.00 N ATOM 0 H ARG A 72 -7.761 5.195 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.088 7.566 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.430 5.851 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.977 6.461 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.044 8.581 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.468 8.110 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.363 6.687 -0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.800 7.689 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.467 5.889 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.022 5.273 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.743 3.664 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.315 3.845 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.022 2.870 -0.761 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.182 8.028 -3.665 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.202 9.029 -3.389 1.00 0.00 C ATOM 1223 C TYR A 73 -4.215 9.271 -4.502 1.00 0.00 C ATOM 1224 O TYR A 73 -3.529 10.285 -4.491 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.527 8.825 -2.048 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.367 9.295 -0.897 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.334 8.485 -0.323 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.186 10.567 -0.383 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.096 8.934 0.733 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.938 11.022 0.665 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.892 10.209 1.222 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.628 10.668 2.282 1.00 0.00 O ATOM 0 H TYR A 73 -5.937 7.092 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.771 9.957 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.300 7.767 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.576 9.358 -2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.492 7.489 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.437 11.212 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.846 8.295 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.781 12.018 1.053 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.720 11.642 2.219 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.121 8.380 -5.467 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.264 8.659 -6.607 1.00 0.00 C ATOM 1244 C TYR A 74 -3.854 9.818 -7.407 1.00 0.00 C ATOM 1245 O TYR A 74 -3.130 10.667 -7.929 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.984 7.393 -7.459 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.403 7.438 -8.915 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.599 8.033 -9.888 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.597 6.876 -9.313 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.992 8.058 -11.211 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.990 6.895 -10.624 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.190 7.485 -11.571 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.602 7.508 -12.888 1.00 0.00 O ATOM 0 H TYR A 74 -4.608 7.484 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.281 8.967 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.914 7.188 -7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.487 6.549 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.658 8.479 -9.603 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.235 6.411 -8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.365 8.523 -11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.929 6.446 -10.913 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.158 6.722 -13.071 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.169 9.871 -7.448 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.854 10.969 -8.086 1.00 0.00 C ATOM 1265 C LYS A 75 -5.782 12.218 -7.200 1.00 0.00 C ATOM 1266 O LYS A 75 -5.562 13.321 -7.684 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.326 10.621 -8.361 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.574 9.508 -9.375 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.053 9.880 -10.757 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.508 8.879 -11.806 1.00 0.00 C ATOM 1271 NZ LYS A 75 -6.887 9.124 -13.119 1.00 0.00 N ATOM 0 H LYS A 75 -5.784 9.163 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.361 11.164 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.793 10.337 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.832 11.521 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.088 8.593 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.642 9.299 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.405 10.876 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.964 9.921 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.263 7.870 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.592 8.927 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.541 8.831 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.675 10.137 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.005 8.577 -13.194 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.921 12.018 -5.898 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.986 13.125 -4.954 1.00 0.00 C ATOM 1287 C LYS A 76 -4.608 13.774 -4.701 1.00 0.00 C ATOM 1288 O LYS A 76 -4.483 15.000 -4.752 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.674 12.666 -3.650 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.090 13.789 -2.698 1.00 0.00 C ATOM 1291 CD LYS A 76 -8.061 13.260 -1.638 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.655 14.375 -0.774 1.00 0.00 C ATOM 1293 NZ LYS A 76 -7.682 14.966 0.162 1.00 0.00 N ATOM 0 H LYS A 76 -5.991 11.095 -5.469 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.594 13.913 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.560 12.087 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.999 11.994 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.208 14.210 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.560 14.595 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.868 12.717 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.541 12.547 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.047 15.158 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.498 13.978 -0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.109 15.790 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.414 14.259 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.835 15.267 -0.362 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.573 12.975 -4.456 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.236 13.535 -4.186 1.00 0.00 C ATOM 1309 C ILE A 77 -1.165 13.002 -5.156 1.00 0.00 C ATOM 1310 O ILE A 77 -0.222 13.705 -5.497 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.771 13.291 -2.707 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.779 11.789 -2.355 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.632 14.080 -1.732 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.341 11.467 -0.938 1.00 0.00 C ATOM 0 H ILE A 77 -3.623 11.956 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.339 14.609 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.744 13.646 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.786 11.400 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.125 11.263 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.291 13.895 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.551 15.144 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.672 13.767 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.378 10.389 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.322 11.821 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.008 11.959 -0.230 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.331 11.789 -5.620 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.369 11.206 -6.541 1.00 0.00 C ATOM 1328 C GLY A 78 0.139 9.892 -6.007 1.00 0.00 C ATOM 1329 O GLY A 78 0.377 9.777 -4.802 1.00 0.00 O ATOM 0 H GLY A 78 -2.116 11.183 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.834 11.055 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.465 11.892 -6.689 1.00 0.00 H new ATOM 1333 N ILE A 79 0.355 8.919 -6.893 1.00 0.00 N ATOM 1334 CA ILE A 79 0.727 7.553 -6.490 1.00 0.00 C ATOM 1335 C ILE A 79 2.055 7.525 -5.724 1.00 0.00 C ATOM 1336 O ILE A 79 2.176 6.815 -4.732 1.00 0.00 O ATOM 1337 CB ILE A 79 0.741 6.535 -7.700 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.038 5.105 -7.229 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.725 6.943 -8.789 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.039 4.560 -6.227 1.00 0.00 C ATOM 0 H ILE A 79 0.279 9.048 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.057 7.218 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.260 6.559 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.061 4.446 -8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.033 5.080 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.697 6.212 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.452 7.924 -9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.731 6.985 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.322 3.545 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.031 5.193 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.955 4.549 -6.674 1.00 0.00 H new ATOM 1352 N GLU A 80 3.008 8.356 -6.157 1.00 0.00 N ATOM 1353 CA GLU A 80 4.330 8.462 -5.515 1.00 0.00 C ATOM 1354 C GLU A 80 4.178 8.732 -4.024 1.00 0.00 C ATOM 1355 O GLU A 80 4.808 8.079 -3.174 1.00 0.00 O ATOM 1356 CB GLU A 80 5.108 9.616 -6.131 1.00 0.00 C ATOM 1357 CG GLU A 80 5.414 9.466 -7.600 1.00 0.00 C ATOM 1358 CD GLU A 80 6.089 10.691 -8.148 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.301 10.860 -7.941 1.00 0.00 O ATOM 1360 OE2 GLU A 80 5.411 11.528 -8.789 1.00 0.00 O ATOM 0 H GLU A 80 2.889 8.974 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 80 4.859 7.521 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.541 10.535 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.047 9.731 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.054 8.597 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.490 9.282 -8.149 1.00 0.00 H new ATOM 1367 N ASN A 81 3.297 9.665 -3.732 1.00 0.00 N ATOM 1368 CA ASN A 81 3.020 10.110 -2.382 1.00 0.00 C ATOM 1369 C ASN A 81 2.400 8.993 -1.583 1.00 0.00 C ATOM 1370 O ASN A 81 2.824 8.710 -0.468 1.00 0.00 O ATOM 1371 CB ASN A 81 2.065 11.318 -2.389 1.00 0.00 C ATOM 1372 CG ASN A 81 2.622 12.541 -3.091 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.289 13.368 -2.487 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.310 12.693 -4.351 1.00 0.00 N ATOM 0 H ASN A 81 2.742 10.145 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 81 3.964 10.407 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.132 11.028 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.822 11.582 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.625 13.520 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.752 11.985 -4.827 1.00 0.00 H new ATOM 1381 N VAL A 82 1.430 8.322 -2.186 1.00 0.00 N ATOM 1382 CA VAL A 82 0.691 7.264 -1.513 1.00 0.00 C ATOM 1383 C VAL A 82 1.614 6.105 -1.194 1.00 0.00 C ATOM 1384 O VAL A 82 1.615 5.610 -0.080 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.500 6.747 -2.352 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.388 5.839 -1.513 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.301 7.889 -2.916 1.00 0.00 C ATOM 0 H VAL A 82 1.135 8.493 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 82 0.291 7.694 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.100 6.171 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.221 5.484 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.807 4.987 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.772 6.395 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.132 7.496 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.688 8.500 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.664 8.500 -3.555 1.00 0.00 H new ATOM 1397 N ASN A 83 2.424 5.716 -2.169 1.00 0.00 N ATOM 1398 CA ASN A 83 3.388 4.620 -2.005 1.00 0.00 C ATOM 1399 C ASN A 83 4.305 4.879 -0.821 1.00 0.00 C ATOM 1400 O ASN A 83 4.539 4.002 0.012 1.00 0.00 O ATOM 1401 CB ASN A 83 4.234 4.405 -3.279 1.00 0.00 C ATOM 1402 CG ASN A 83 3.441 3.865 -4.462 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.444 3.189 -4.291 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.891 4.129 -5.672 1.00 0.00 N ATOM 0 H ASN A 83 2.437 6.145 -3.094 1.00 0.00 H new ATOM 0 HA ASN A 83 2.811 3.714 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.692 5.352 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.046 3.714 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.401 3.764 -6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.729 4.698 -5.792 1.00 0.00 H new ATOM 1411 N GLN A 84 4.771 6.109 -0.720 1.00 0.00 N ATOM 1412 CA GLN A 84 5.655 6.515 0.355 1.00 0.00 C ATOM 1413 C GLN A 84 4.878 6.427 1.688 1.00 0.00 C ATOM 1414 O GLN A 84 5.368 5.880 2.685 1.00 0.00 O ATOM 1415 CB GLN A 84 6.127 7.962 0.100 1.00 0.00 C ATOM 1416 CG GLN A 84 7.454 8.384 0.762 1.00 0.00 C ATOM 1417 CD GLN A 84 7.479 8.266 2.271 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.097 9.188 2.993 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.966 7.156 2.760 1.00 0.00 N ATOM 0 H GLN A 84 4.548 6.854 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 84 6.528 5.865 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.224 8.104 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.345 8.640 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.258 7.774 0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.667 9.418 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.273 6.413 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.039 7.032 3.770 1.00 0.00 H new ATOM 1428 N LEU A 85 3.662 6.933 1.683 1.00 0.00 N ATOM 1429 CA LEU A 85 2.822 6.928 2.869 1.00 0.00 C ATOM 1430 C LEU A 85 2.510 5.507 3.333 1.00 0.00 C ATOM 1431 O LEU A 85 2.541 5.233 4.526 1.00 0.00 O ATOM 1432 CB LEU A 85 1.546 7.743 2.650 1.00 0.00 C ATOM 1433 CG LEU A 85 1.758 9.240 2.374 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.439 9.927 2.099 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.476 9.914 3.539 1.00 0.00 C ATOM 0 H LEU A 85 3.228 7.357 0.864 1.00 0.00 H new ATOM 0 HA LEU A 85 3.384 7.410 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.998 7.311 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.914 7.640 3.532 1.00 0.00 H new ATOM 0 HG LEU A 85 2.386 9.331 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.613 10.986 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.033 9.473 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.215 9.819 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.614 10.973 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.880 9.807 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.449 9.445 3.687 1.00 0.00 H new ATOM 1447 N ILE A 86 2.262 4.600 2.395 1.00 0.00 N ATOM 1448 CA ILE A 86 1.996 3.195 2.723 1.00 0.00 C ATOM 1449 C ILE A 86 3.228 2.568 3.398 1.00 0.00 C ATOM 1450 O ILE A 86 3.106 1.842 4.388 1.00 0.00 O ATOM 1451 CB ILE A 86 1.575 2.359 1.466 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.289 2.927 0.823 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.392 0.877 1.807 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -0.915 2.988 1.752 1.00 0.00 C ATOM 0 H ILE A 86 2.239 4.809 1.397 1.00 0.00 H new ATOM 0 HA ILE A 86 1.154 3.175 3.415 1.00 0.00 H new ATOM 0 HB ILE A 86 2.386 2.438 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.497 3.931 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.032 2.316 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.100 0.331 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.330 0.473 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.616 0.771 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.769 3.399 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.156 1.984 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.684 3.624 2.606 1.00 0.00 H new ATOM 1466 N LEU A 87 4.411 2.903 2.895 1.00 0.00 N ATOM 1467 CA LEU A 87 5.662 2.429 3.491 1.00 0.00 C ATOM 1468 C LEU A 87 5.816 2.979 4.912 1.00 0.00 C ATOM 1469 O LEU A 87 6.262 2.289 5.833 1.00 0.00 O ATOM 1470 CB LEU A 87 6.861 2.839 2.626 1.00 0.00 C ATOM 1471 CG LEU A 87 6.901 2.246 1.215 1.00 0.00 C ATOM 1472 CD1 LEU A 87 8.095 2.771 0.441 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.940 0.730 1.275 1.00 0.00 C ATOM 0 H LEU A 87 4.534 3.500 2.077 1.00 0.00 H new ATOM 0 HA LEU A 87 5.630 1.341 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.870 3.926 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.775 2.552 3.146 1.00 0.00 H new ATOM 0 HG LEU A 87 5.993 2.552 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.101 2.335 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.029 3.856 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.014 2.499 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.968 0.326 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.829 0.410 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.051 0.363 1.787 1.00 0.00 H new ATOM 1485 N THR A 88 5.416 4.212 5.077 1.00 0.00 N ATOM 1486 CA THR A 88 5.446 4.875 6.358 1.00 0.00 C ATOM 1487 C THR A 88 4.424 4.210 7.327 1.00 0.00 C ATOM 1488 O THR A 88 4.685 4.075 8.520 1.00 0.00 O ATOM 1489 CB THR A 88 5.143 6.384 6.162 1.00 0.00 C ATOM 1490 OG1 THR A 88 6.056 6.914 5.172 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.311 7.163 7.462 1.00 0.00 C ATOM 0 H THR A 88 5.056 4.792 4.319 1.00 0.00 H new ATOM 0 HA THR A 88 6.436 4.777 6.803 1.00 0.00 H new ATOM 0 HB THR A 88 4.108 6.490 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.787 6.607 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.091 8.216 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.626 6.769 8.213 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.336 7.061 7.817 1.00 0.00 H new ATOM 1499 N THR A 89 3.306 3.754 6.762 1.00 0.00 N ATOM 1500 CA THR A 89 2.222 3.093 7.492 1.00 0.00 C ATOM 1501 C THR A 89 2.697 1.762 8.084 1.00 0.00 C ATOM 1502 O THR A 89 2.475 1.485 9.251 1.00 0.00 O ATOM 1503 CB THR A 89 1.038 2.821 6.525 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.645 4.044 5.922 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.171 2.227 7.240 1.00 0.00 C ATOM 0 H THR A 89 3.124 3.835 5.762 1.00 0.00 H new ATOM 0 HA THR A 89 1.904 3.747 8.304 1.00 0.00 H new ATOM 0 HB THR A 89 1.380 2.100 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.227 4.318 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.971 2.055 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.109 1.281 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.516 2.919 8.008 1.00 0.00 H new ATOM 1513 N ILE A 90 3.392 0.968 7.276 1.00 0.00 N ATOM 1514 CA ILE A 90 3.849 -0.350 7.717 1.00 0.00 C ATOM 1515 C ILE A 90 5.044 -0.267 8.667 1.00 0.00 C ATOM 1516 O ILE A 90 5.425 -1.256 9.308 1.00 0.00 O ATOM 1517 CB ILE A 90 4.136 -1.312 6.535 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.183 -0.731 5.582 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.847 -1.629 5.791 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.487 -1.618 4.394 1.00 0.00 C ATOM 0 H ILE A 90 3.651 1.209 6.319 1.00 0.00 H new ATOM 0 HA ILE A 90 3.018 -0.775 8.279 1.00 0.00 H new ATOM 0 HB ILE A 90 4.543 -2.237 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.835 0.237 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.105 -0.552 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.061 -2.305 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.140 -2.102 6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.414 -0.707 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.237 -1.139 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.866 -2.578 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.577 -1.777 3.816 1.00 0.00 H new ATOM 1532 N LYS A 91 5.642 0.895 8.747 1.00 0.00 N ATOM 1533 CA LYS A 91 6.718 1.140 9.689 1.00 0.00 C ATOM 1534 C LYS A 91 6.185 1.925 10.891 1.00 0.00 C ATOM 1535 O LYS A 91 6.948 2.572 11.625 1.00 0.00 O ATOM 1536 CB LYS A 91 7.845 1.916 9.017 1.00 0.00 C ATOM 1537 CG LYS A 91 8.522 1.181 7.871 1.00 0.00 C ATOM 1538 CD LYS A 91 9.630 2.019 7.241 1.00 0.00 C ATOM 1539 CE LYS A 91 10.749 2.319 8.235 1.00 0.00 C ATOM 1540 NZ LYS A 91 11.778 3.204 7.663 1.00 0.00 N ATOM 0 H LYS A 91 5.402 1.698 8.166 1.00 0.00 H new ATOM 0 HA LYS A 91 7.111 0.183 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.446 2.859 8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.596 2.163 9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.938 0.242 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.781 0.928 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.040 1.491 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.212 2.955 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.327 2.784 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.211 1.384 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.517 3.381 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.201 2.751 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.343 4.107 7.384 1.00 0.00 H new ATOM 1554 N LEU A 92 4.890 1.845 11.105 1.00 0.00 N ATOM 1555 CA LEU A 92 4.244 2.560 12.168 1.00 0.00 C ATOM 1556 C LEU A 92 3.081 1.708 12.688 1.00 0.00 C ATOM 1557 O LEU A 92 2.728 0.701 12.072 1.00 0.00 O ATOM 1558 CB LEU A 92 3.731 3.903 11.604 1.00 0.00 C ATOM 1559 CG LEU A 92 3.188 4.929 12.596 1.00 0.00 C ATOM 1560 CD1 LEU A 92 4.272 5.356 13.572 1.00 0.00 C ATOM 1561 CD2 LEU A 92 2.629 6.135 11.856 1.00 0.00 C ATOM 0 H LEU A 92 4.258 1.278 10.540 1.00 0.00 H new ATOM 0 HA LEU A 92 4.931 2.758 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.548 4.369 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.944 3.685 10.883 1.00 0.00 H new ATOM 0 HG LEU A 92 2.381 4.467 13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.865 6.087 14.270 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.628 4.486 14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.101 5.801 13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.245 6.858 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.419 6.597 11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.821 5.816 11.197 1.00 0.00 H new ATOM 1573 N GLU A 93 2.531 2.075 13.822 1.00 0.00 N ATOM 1574 CA GLU A 93 1.386 1.384 14.366 1.00 0.00 C ATOM 1575 C GLU A 93 0.505 2.386 15.076 1.00 0.00 C ATOM 1576 O GLU A 93 -0.498 2.857 14.538 1.00 0.00 O ATOM 1577 CB GLU A 93 1.808 0.281 15.358 1.00 0.00 C ATOM 1578 CG GLU A 93 0.644 -0.544 15.916 1.00 0.00 C ATOM 1579 CD GLU A 93 1.067 -1.469 17.033 1.00 0.00 C ATOM 1580 OE1 GLU A 93 1.522 -2.601 16.762 1.00 0.00 O ATOM 1581 OE2 GLU A 93 0.958 -1.084 18.211 1.00 0.00 O ATOM 0 H GLU A 93 2.862 2.855 14.390 1.00 0.00 H new ATOM 0 HA GLU A 93 0.847 0.909 13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.508 -0.390 14.861 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.343 0.741 16.189 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.131 0.130 16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.202 -1.131 15.111 1.00 0.00 H new ATOM 1588 N HIS A 94 0.935 2.770 16.244 1.00 0.00 N ATOM 1589 CA HIS A 94 0.188 3.629 17.108 1.00 0.00 C ATOM 1590 C HIS A 94 1.180 4.414 17.938 1.00 0.00 C ATOM 1591 O HIS A 94 1.529 4.030 19.058 1.00 0.00 O ATOM 1592 CB HIS A 94 -0.740 2.769 17.989 1.00 0.00 C ATOM 1593 CG HIS A 94 -1.677 3.512 18.898 1.00 0.00 C ATOM 1594 ND1 HIS A 94 -1.487 4.051 20.119 1.00 0.00 N flip ATOM 1595 CD2 HIS A 94 -3.003 3.674 18.624 1.00 0.00 C flip ATOM 1596 CE1 HIS A 94 -2.695 4.516 20.548 1.00 0.00 C flip ATOM 1597 NE2 HIS A 94 -3.588 4.272 19.621 1.00 0.00 N flip ATOM 0 H HIS A 94 1.836 2.486 16.628 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.438 4.324 16.548 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.334 2.129 17.336 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.120 2.113 18.600 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.494 3.354 17.717 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.884 5.003 21.493 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.578 4.511 19.672 1.00 0.00 H new ATOM 1606 N HIS A 95 1.693 5.459 17.360 1.00 0.00 N ATOM 1607 CA HIS A 95 2.697 6.270 17.996 1.00 0.00 C ATOM 1608 C HIS A 95 2.009 7.284 18.899 1.00 0.00 C ATOM 1609 O HIS A 95 1.903 8.470 18.573 1.00 0.00 O ATOM 1610 CB HIS A 95 3.594 6.944 16.926 1.00 0.00 C ATOM 1611 CG HIS A 95 4.873 7.581 17.425 1.00 0.00 C ATOM 1612 ND1 HIS A 95 5.244 8.869 17.120 1.00 0.00 N ATOM 1613 CD2 HIS A 95 5.912 7.058 18.117 1.00 0.00 C ATOM 1614 CE1 HIS A 95 6.449 9.108 17.595 1.00 0.00 C ATOM 1615 NE2 HIS A 95 6.876 8.026 18.205 1.00 0.00 N ATOM 0 H HIS A 95 1.427 5.778 16.428 1.00 0.00 H new ATOM 0 HA HIS A 95 3.351 5.655 18.613 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.854 6.195 16.178 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.006 7.710 16.420 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.970 6.060 18.525 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.993 10.036 17.499 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.779 7.924 18.669 1.00 0.00 H new ATOM 1624 N HIS A 96 1.476 6.778 20.006 1.00 0.00 N ATOM 1625 CA HIS A 96 0.751 7.584 20.982 1.00 0.00 C ATOM 1626 C HIS A 96 1.731 8.469 21.716 1.00 0.00 C ATOM 1627 O HIS A 96 1.416 9.596 22.073 1.00 0.00 O ATOM 1628 CB HIS A 96 -0.016 6.686 21.973 1.00 0.00 C ATOM 1629 CG HIS A 96 -0.899 7.430 22.947 1.00 0.00 C ATOM 1630 ND1 HIS A 96 -0.586 7.598 24.271 1.00 0.00 N ATOM 1631 CD2 HIS A 96 -2.103 8.022 22.775 1.00 0.00 C ATOM 1632 CE1 HIS A 96 -1.548 8.258 24.872 1.00 0.00 C ATOM 1633 NE2 HIS A 96 -2.480 8.525 23.990 1.00 0.00 N ATOM 0 H HIS A 96 1.535 5.790 20.253 1.00 0.00 H new ATOM 0 HA HIS A 96 0.020 8.204 20.463 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.631 5.987 21.407 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.704 6.093 22.537 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.661 8.086 21.853 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.568 8.534 25.916 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -3.347 9.027 24.179 1.00 0.00 H new ATOM 1642 N HIS A 97 2.923 7.953 21.914 1.00 0.00 N ATOM 1643 CA HIS A 97 3.990 8.716 22.523 1.00 0.00 C ATOM 1644 C HIS A 97 4.532 9.643 21.469 1.00 0.00 C ATOM 1645 O HIS A 97 5.317 9.230 20.624 1.00 0.00 O ATOM 1646 CB HIS A 97 5.133 7.814 23.028 1.00 0.00 C ATOM 1647 CG HIS A 97 4.772 6.854 24.120 1.00 0.00 C ATOM 1648 ND1 HIS A 97 4.459 5.532 23.888 1.00 0.00 N ATOM 1649 CD2 HIS A 97 4.718 7.016 25.457 1.00 0.00 C ATOM 1650 CE1 HIS A 97 4.224 4.933 25.026 1.00 0.00 C ATOM 1651 NE2 HIS A 97 4.375 5.805 25.993 1.00 0.00 N ATOM 0 H HIS A 97 3.180 6.999 21.660 1.00 0.00 H new ATOM 0 HA HIS A 97 3.595 9.255 23.384 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.522 7.245 22.183 1.00 0.00 H new ATOM 0 HB3 HIS A 97 5.943 8.451 23.383 1.00 0.00 H new ATOM 0 HD2 HIS A 97 4.909 7.929 26.002 1.00 0.00 H new ATOM 0 HE1 HIS A 97 3.952 3.895 25.149 1.00 0.00 H new ATOM 0 HE2 HIS A 97 4.256 5.611 26.987 1.00 0.00 H new ATOM 1660 N HIS A 98 4.060 10.846 21.455 1.00 0.00 N ATOM 1661 CA HIS A 98 4.488 11.811 20.475 1.00 0.00 C ATOM 1662 C HIS A 98 4.680 13.165 21.099 1.00 0.00 C ATOM 1663 O HIS A 98 3.901 13.585 21.958 1.00 0.00 O ATOM 1664 CB HIS A 98 3.569 11.842 19.221 1.00 0.00 C ATOM 1665 CG HIS A 98 2.088 11.985 19.473 1.00 0.00 C ATOM 1666 ND1 HIS A 98 1.184 10.993 19.164 1.00 0.00 N ATOM 1667 CD2 HIS A 98 1.352 13.007 19.964 1.00 0.00 C ATOM 1668 CE1 HIS A 98 -0.029 11.400 19.449 1.00 0.00 C ATOM 1669 NE2 HIS A 98 0.047 12.609 19.935 1.00 0.00 N ATOM 0 H HIS A 98 3.368 11.195 22.118 1.00 0.00 H new ATOM 0 HA HIS A 98 5.462 11.490 20.105 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.888 12.668 18.585 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.732 10.924 18.656 1.00 0.00 H new ATOM 0 HD1 HIS A 98 1.422 10.081 18.773 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.726 13.958 20.313 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.936 10.832 19.306 1.00 0.00 H new ATOM 1678 N HIS A 99 5.705 13.825 20.677 1.00 0.00 N ATOM 1679 CA HIS A 99 6.118 15.087 21.237 1.00 0.00 C ATOM 1680 C HIS A 99 6.193 16.149 20.161 1.00 0.00 C ATOM 1681 O HIS A 99 7.025 16.015 19.251 1.00 0.00 O ATOM 1682 CB HIS A 99 7.459 14.951 22.016 1.00 0.00 C ATOM 1683 CG HIS A 99 8.553 14.204 21.286 1.00 0.00 C ATOM 1684 ND1 HIS A 99 9.376 14.780 20.359 1.00 0.00 N ATOM 1685 CD2 HIS A 99 8.921 12.904 21.351 1.00 0.00 C ATOM 1686 CE1 HIS A 99 10.202 13.872 19.877 1.00 0.00 C ATOM 1687 NE2 HIS A 99 9.944 12.726 20.466 1.00 0.00 N ATOM 1688 OXT HIS A 99 5.412 17.129 20.221 1.00 0.00 O ATOM 0 H HIS A 99 6.300 13.502 19.914 1.00 0.00 H new ATOM 0 HA HIS A 99 5.365 15.402 21.959 1.00 0.00 H new ATOM 0 HB2 HIS A 99 7.822 15.949 22.260 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.262 14.444 22.961 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.485 12.147 21.986 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.960 14.041 19.127 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.430 11.846 20.290 1.00 0.00 H new TER 1697 HIS A 99