USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1024 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 8 LYS NZ :NH3+ -152:sc= -0.0411 (180deg=0) USER MOD Set 1.2: A 50 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.154 (180deg=-0.652) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.444 (180deg=-0.0339) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0.936 (180deg=0.781) USER MOD Single : A 15 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.018) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00329 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00375 X(o=-0.0038,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.82) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00356 K(o=-0.0036,f=-0.69) USER MOD Single : A 44 MET CE :methyl 178:sc= -3.3! (180deg=-3.37!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 165:sc= -10.2! (180deg=-12.8!) USER MOD Single : A 49 GLN : amide:sc= -0.0986 K(o=-0.099,f=-1.4!) USER MOD Single : A 52 HIS : no HE2:sc= -14.9! C(o=-15!,f=-26!) USER MOD Single : A 53 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-3.2) USER MOD Single : A 57 SER OG : rot 180:sc= -0.94! USER MOD Single : A 60 ASN : amide:sc= 0.766 K(o=0.77,f=-0.81) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.17) USER MOD Single : A 76 ASN : amide:sc= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 79 THR OG1 : rot 146:sc= -0.802 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.364 (180deg=-1.08!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.671! USER MOD Single : A 90 GLN : amide:sc= -0.0425 X(o=-0.042,f=-0.23) USER MOD Single : A 97 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.704 F(o=-1.4,f=-0.7) USER MOD Single : A 106 ASN : amide:sc= -4.15! C(o=-4.1!,f=-5.3!) USER MOD Single : A 110 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.075) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.386 -17.090 -11.811 1.00 0.00 N ATOM 2 CA MET A 1 -1.493 -15.984 -12.747 1.00 0.00 C ATOM 3 C MET A 1 -2.310 -16.383 -13.977 1.00 0.00 C ATOM 4 O MET A 1 -1.797 -16.378 -15.096 1.00 0.00 O ATOM 5 CB MET A 1 -0.093 -15.546 -13.183 1.00 0.00 C ATOM 6 CG MET A 1 0.691 -14.966 -12.005 1.00 0.00 C ATOM 7 SD MET A 1 1.815 -16.192 -11.357 1.00 0.00 S ATOM 8 CE MET A 1 3.000 -16.264 -12.691 1.00 0.00 C ATOM 0 H1 MET A 1 -1.906 -16.860 -10.941 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.790 -17.947 -12.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.385 -17.256 -11.582 1.00 0.00 H new ATOM 0 HA MET A 1 -2.002 -15.159 -12.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.445 -16.398 -13.599 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.171 -14.801 -13.975 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.247 -14.085 -12.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.003 -14.642 -11.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.977 -16.539 -12.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.681 -17.008 -13.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.065 -15.288 -13.173 1.00 0.00 H new ATOM 18 N SER A 2 -3.567 -16.721 -13.730 1.00 0.00 N ATOM 19 CA SER A 2 -4.459 -17.123 -14.804 1.00 0.00 C ATOM 20 C SER A 2 -5.055 -15.886 -15.480 1.00 0.00 C ATOM 21 O SER A 2 -5.197 -15.850 -16.702 1.00 0.00 O ATOM 22 CB SER A 2 -5.575 -18.031 -14.282 1.00 0.00 C ATOM 23 OG SER A 2 -6.706 -18.039 -15.149 1.00 0.00 O ATOM 0 H SER A 2 -3.989 -16.725 -12.801 1.00 0.00 H new ATOM 0 HA SER A 2 -3.881 -17.687 -15.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.195 -19.047 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.881 -17.697 -13.291 1.00 0.00 H new ATOM 0 HG SER A 2 -7.395 -18.631 -14.782 1.00 0.00 H new ATOM 29 N LEU A 3 -5.387 -14.903 -14.657 1.00 0.00 N ATOM 30 CA LEU A 3 -5.963 -13.668 -15.159 1.00 0.00 C ATOM 31 C LEU A 3 -5.421 -12.489 -14.348 1.00 0.00 C ATOM 32 O LEU A 3 -4.450 -12.635 -13.608 1.00 0.00 O ATOM 33 CB LEU A 3 -7.491 -13.756 -15.171 1.00 0.00 C ATOM 34 CG LEU A 3 -8.176 -13.696 -13.805 1.00 0.00 C ATOM 35 CD1 LEU A 3 -8.866 -12.347 -13.594 1.00 0.00 C ATOM 36 CD2 LEU A 3 -9.144 -14.868 -13.625 1.00 0.00 C ATOM 0 H LEU A 3 -5.268 -14.937 -13.645 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.667 -13.504 -16.195 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.877 -12.943 -15.785 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.778 -14.688 -15.659 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.409 -13.789 -13.036 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.345 -12.332 -12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.127 -11.548 -13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.619 -12.198 -14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.618 -14.802 -12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.908 -14.831 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.596 -15.807 -13.700 1.00 0.00 H new ATOM 48 N ALA A 4 -6.073 -11.348 -14.515 1.00 0.00 N ATOM 49 CA ALA A 4 -5.668 -10.144 -13.807 1.00 0.00 C ATOM 50 C ALA A 4 -5.590 -10.442 -12.308 1.00 0.00 C ATOM 51 O ALA A 4 -4.930 -9.721 -11.563 1.00 0.00 O ATOM 52 CB ALA A 4 -6.644 -9.011 -14.128 1.00 0.00 C ATOM 0 H ALA A 4 -6.879 -11.231 -15.130 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.678 -9.822 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.341 -8.108 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.640 -8.820 -15.201 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.648 -9.296 -13.814 1.00 0.00 H new ATOM 58 N GLU A 5 -6.277 -11.504 -11.911 1.00 0.00 N ATOM 59 CA GLU A 5 -6.293 -11.905 -10.515 1.00 0.00 C ATOM 60 C GLU A 5 -4.915 -11.694 -9.885 1.00 0.00 C ATOM 61 O GLU A 5 -4.805 -11.121 -8.802 1.00 0.00 O ATOM 62 CB GLU A 5 -6.746 -13.359 -10.368 1.00 0.00 C ATOM 63 CG GLU A 5 -7.222 -13.644 -8.942 1.00 0.00 C ATOM 64 CD GLU A 5 -8.462 -14.541 -8.947 1.00 0.00 C ATOM 65 OE1 GLU A 5 -8.426 -15.554 -9.678 1.00 0.00 O ATOM 66 OE2 GLU A 5 -9.416 -14.194 -8.218 1.00 0.00 O ATOM 0 H GLU A 5 -6.826 -12.098 -12.532 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.012 -11.279 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.552 -13.565 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.923 -14.027 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.423 -14.125 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.450 -12.706 -8.436 1.00 0.00 H new ATOM 73 N LYS A 6 -3.899 -12.168 -10.591 1.00 0.00 N ATOM 74 CA LYS A 6 -2.532 -12.039 -10.113 1.00 0.00 C ATOM 75 C LYS A 6 -2.351 -10.663 -9.467 1.00 0.00 C ATOM 76 O LYS A 6 -1.665 -10.535 -8.455 1.00 0.00 O ATOM 77 CB LYS A 6 -1.541 -12.323 -11.244 1.00 0.00 C ATOM 78 CG LYS A 6 -1.738 -11.345 -12.404 1.00 0.00 C ATOM 79 CD LYS A 6 -0.905 -11.760 -13.618 1.00 0.00 C ATOM 80 CE LYS A 6 -1.691 -11.562 -14.917 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.289 -12.842 -15.361 1.00 0.00 N ATOM 0 H LYS A 6 -3.994 -12.642 -11.489 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.324 -12.783 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.521 -12.245 -10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.672 -13.345 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.792 -11.307 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.454 -10.341 -12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.013 -11.173 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.612 -12.805 -13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.475 -10.821 -14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.031 -11.174 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.702 -12.722 -16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.553 -13.576 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.033 -13.128 -14.693 1.00 0.00 H new ATOM 95 N ILE A 7 -2.977 -9.670 -10.079 1.00 0.00 N ATOM 96 CA ILE A 7 -2.894 -8.309 -9.577 1.00 0.00 C ATOM 97 C ILE A 7 -4.042 -8.060 -8.597 1.00 0.00 C ATOM 98 O ILE A 7 -5.195 -8.373 -8.893 1.00 0.00 O ATOM 99 CB ILE A 7 -2.847 -7.312 -10.736 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.872 -7.776 -11.819 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.518 -5.903 -10.234 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.621 -8.396 -13.001 1.00 0.00 C ATOM 0 H ILE A 7 -3.545 -9.780 -10.919 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.966 -8.163 -9.024 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.837 -7.270 -11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.277 -6.931 -12.164 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.178 -8.505 -11.401 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.491 -5.213 -11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.282 -5.581 -9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.547 -5.910 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.905 -8.718 -13.757 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.196 -9.256 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.296 -7.657 -13.432 1.00 0.00 H new ATOM 114 N LYS A 8 -3.688 -7.501 -7.450 1.00 0.00 N ATOM 115 CA LYS A 8 -4.675 -7.206 -6.425 1.00 0.00 C ATOM 116 C LYS A 8 -4.231 -5.974 -5.634 1.00 0.00 C ATOM 117 O LYS A 8 -3.047 -5.809 -5.348 1.00 0.00 O ATOM 118 CB LYS A 8 -4.925 -8.439 -5.553 1.00 0.00 C ATOM 119 CG LYS A 8 -6.272 -9.084 -5.889 1.00 0.00 C ATOM 120 CD LYS A 8 -7.433 -8.233 -5.368 1.00 0.00 C ATOM 121 CE LYS A 8 -7.493 -8.264 -3.840 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.636 -9.086 -3.383 1.00 0.00 N ATOM 0 H LYS A 8 -2.731 -7.244 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.636 -6.964 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.124 -9.163 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.906 -8.155 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.362 -9.206 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.321 -10.081 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.317 -7.205 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.372 -8.602 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.563 -8.670 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.589 -7.249 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.960 -8.745 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.413 -9.012 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.339 -10.079 -3.302 1.00 0.00 H new ATOM 136 N VAL A 9 -5.206 -5.140 -5.304 1.00 0.00 N ATOM 137 CA VAL A 9 -4.931 -3.927 -4.553 1.00 0.00 C ATOM 138 C VAL A 9 -5.829 -3.884 -3.315 1.00 0.00 C ATOM 139 O VAL A 9 -7.010 -4.220 -3.389 1.00 0.00 O ATOM 140 CB VAL A 9 -5.099 -2.702 -5.455 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.748 -2.236 -6.004 1.00 0.00 C ATOM 142 CG2 VAL A 9 -6.082 -2.989 -6.591 1.00 0.00 C ATOM 0 H VAL A 9 -6.188 -5.280 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.898 -3.920 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.512 -1.895 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.895 -1.364 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.090 -1.973 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.295 -3.039 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.183 -2.103 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.710 -3.818 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.054 -3.251 -6.173 1.00 0.00 H new ATOM 152 N LEU A 10 -5.235 -3.468 -2.206 1.00 0.00 N ATOM 153 CA LEU A 10 -5.966 -3.378 -0.953 1.00 0.00 C ATOM 154 C LEU A 10 -5.939 -1.932 -0.456 1.00 0.00 C ATOM 155 O LEU A 10 -4.869 -1.370 -0.225 1.00 0.00 O ATOM 156 CB LEU A 10 -5.420 -4.387 0.059 1.00 0.00 C ATOM 157 CG LEU A 10 -5.301 -3.891 1.502 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.063 -3.009 1.677 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.580 -3.177 1.945 1.00 0.00 C ATOM 0 H LEU A 10 -4.255 -3.189 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.012 -3.645 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.064 -5.266 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.434 -4.711 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.175 -4.757 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.001 -2.669 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.170 -3.583 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.135 -2.146 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.468 -2.835 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.762 -2.321 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.422 -3.866 1.881 1.00 0.00 H new ATOM 171 N ILE A 11 -7.129 -1.369 -0.305 1.00 0.00 N ATOM 172 CA ILE A 11 -7.256 0.001 0.160 1.00 0.00 C ATOM 173 C ILE A 11 -7.961 0.011 1.518 1.00 0.00 C ATOM 174 O ILE A 11 -9.187 0.094 1.585 1.00 0.00 O ATOM 175 CB ILE A 11 -7.946 0.865 -0.897 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.252 0.220 -1.366 1.00 0.00 C ATOM 177 CG2 ILE A 11 -7.002 1.163 -2.064 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.989 -0.819 -2.459 1.00 0.00 C ATOM 0 H ILE A 11 -8.014 -1.838 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.272 0.445 0.308 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.205 1.820 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.751 -0.254 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.926 0.989 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.518 1.779 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.125 1.696 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.690 0.227 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.934 -1.262 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.512 -0.337 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.334 -1.599 -2.070 1.00 0.00 H new ATOM 190 N VAL A 12 -7.156 -0.076 2.567 1.00 0.00 N ATOM 191 CA VAL A 12 -7.688 -0.078 3.920 1.00 0.00 C ATOM 192 C VAL A 12 -7.017 1.033 4.729 1.00 0.00 C ATOM 193 O VAL A 12 -5.806 1.224 4.642 1.00 0.00 O ATOM 194 CB VAL A 12 -7.514 -1.462 4.548 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.066 -1.686 4.989 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.481 -1.659 5.717 1.00 0.00 C ATOM 0 H VAL A 12 -6.140 -0.146 2.508 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.758 0.128 3.910 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.751 -2.207 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.970 -2.677 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.406 -1.609 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.789 -0.931 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.337 -2.651 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.290 -0.903 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.507 -1.564 5.361 1.00 0.00 H new ATOM 206 N ASP A 13 -7.835 1.739 5.497 1.00 0.00 N ATOM 207 CA ASP A 13 -7.336 2.826 6.321 1.00 0.00 C ATOM 208 C ASP A 13 -8.179 2.925 7.593 1.00 0.00 C ATOM 209 O ASP A 13 -9.214 2.270 7.709 1.00 0.00 O ATOM 210 CB ASP A 13 -7.433 4.164 5.585 1.00 0.00 C ATOM 211 CG ASP A 13 -6.851 4.167 4.170 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.205 3.241 3.408 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.065 5.095 3.880 1.00 0.00 O ATOM 0 H ASP A 13 -8.840 1.579 5.565 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.292 2.618 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.482 4.457 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.920 4.924 6.174 1.00 0.00 H new ATOM 218 N ASP A 14 -7.705 3.748 8.517 1.00 0.00 N ATOM 219 CA ASP A 14 -8.402 3.941 9.776 1.00 0.00 C ATOM 220 C ASP A 14 -9.590 4.880 9.558 1.00 0.00 C ATOM 221 O ASP A 14 -10.490 4.954 10.394 1.00 0.00 O ATOM 222 CB ASP A 14 -7.485 4.575 10.823 1.00 0.00 C ATOM 223 CG ASP A 14 -7.736 4.123 12.264 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.645 4.709 12.891 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.016 3.202 12.704 1.00 0.00 O ATOM 0 H ASP A 14 -6.846 4.289 8.418 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.733 2.965 10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.451 4.349 10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.597 5.658 10.773 1.00 0.00 H new ATOM 230 N GLN A 15 -9.555 5.576 8.431 1.00 0.00 N ATOM 231 CA GLN A 15 -10.617 6.508 8.092 1.00 0.00 C ATOM 232 C GLN A 15 -10.904 6.461 6.590 1.00 0.00 C ATOM 233 O GLN A 15 -9.981 6.478 5.777 1.00 0.00 O ATOM 234 CB GLN A 15 -10.264 7.927 8.540 1.00 0.00 C ATOM 235 CG GLN A 15 -11.494 8.646 9.100 1.00 0.00 C ATOM 236 CD GLN A 15 -11.124 9.499 10.315 1.00 0.00 C ATOM 237 OE1 GLN A 15 -10.734 9.001 11.359 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.268 10.807 10.123 1.00 0.00 N ATOM 0 H GLN A 15 -8.807 5.513 7.740 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.521 6.210 8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.483 7.889 9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.862 8.489 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.933 9.278 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.251 7.914 9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.599 11.157 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.047 11.460 10.875 1.00 0.00 H new ATOM 247 N VAL A 16 -12.188 6.405 6.267 1.00 0.00 N ATOM 248 CA VAL A 16 -12.608 6.358 4.876 1.00 0.00 C ATOM 249 C VAL A 16 -11.902 7.468 4.096 1.00 0.00 C ATOM 250 O VAL A 16 -11.297 7.213 3.057 1.00 0.00 O ATOM 251 CB VAL A 16 -14.133 6.440 4.788 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.760 5.046 4.804 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.701 7.310 5.911 1.00 0.00 C ATOM 0 H VAL A 16 -12.951 6.391 6.944 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.320 5.410 4.421 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.388 6.910 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.845 5.134 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.392 4.472 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.491 4.537 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.787 7.352 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.429 6.882 6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.292 8.317 5.833 1.00 0.00 H new ATOM 263 N THR A 17 -12.004 8.678 4.628 1.00 0.00 N ATOM 264 CA THR A 17 -11.383 9.828 3.995 1.00 0.00 C ATOM 265 C THR A 17 -10.005 9.456 3.445 1.00 0.00 C ATOM 266 O THR A 17 -9.719 9.685 2.271 1.00 0.00 O ATOM 267 CB THR A 17 -11.342 10.966 5.017 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.902 10.338 6.218 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.736 11.494 5.362 1.00 0.00 C ATOM 0 H THR A 17 -12.508 8.886 5.490 1.00 0.00 H new ATOM 0 HA THR A 17 -11.961 10.165 3.135 1.00 0.00 H new ATOM 0 HB THR A 17 -10.731 11.781 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.845 11.005 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.650 12.300 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.216 11.871 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.337 10.687 5.782 1.00 0.00 H new ATOM 277 N SER A 18 -9.188 8.887 4.320 1.00 0.00 N ATOM 278 CA SER A 18 -7.847 8.480 3.936 1.00 0.00 C ATOM 279 C SER A 18 -7.918 7.386 2.869 1.00 0.00 C ATOM 280 O SER A 18 -7.315 7.512 1.804 1.00 0.00 O ATOM 281 CB SER A 18 -7.053 7.989 5.149 1.00 0.00 C ATOM 282 OG SER A 18 -6.840 9.027 6.102 1.00 0.00 O ATOM 0 H SER A 18 -9.429 8.698 5.293 1.00 0.00 H new ATOM 0 HA SER A 18 -7.330 9.347 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.587 7.165 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.091 7.597 4.818 1.00 0.00 H new ATOM 0 HG SER A 18 -6.332 8.674 6.862 1.00 0.00 H new ATOM 288 N ARG A 19 -8.658 6.335 3.192 1.00 0.00 N ATOM 289 CA ARG A 19 -8.815 5.220 2.275 1.00 0.00 C ATOM 290 C ARG A 19 -9.531 5.675 1.002 1.00 0.00 C ATOM 291 O ARG A 19 -8.920 5.763 -0.062 1.00 0.00 O ATOM 292 CB ARG A 19 -9.610 4.083 2.920 1.00 0.00 C ATOM 293 CG ARG A 19 -9.547 2.815 2.065 1.00 0.00 C ATOM 294 CD ARG A 19 -10.761 2.720 1.139 1.00 0.00 C ATOM 295 NE ARG A 19 -12.008 2.725 1.935 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.393 1.722 2.735 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.632 0.626 2.849 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.542 1.814 3.420 1.00 0.00 N ATOM 0 H ARG A 19 -9.155 6.233 4.077 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.819 4.855 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.213 3.876 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.649 4.388 3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.632 2.816 1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.508 1.938 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.762 3.557 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.704 1.809 0.544 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.613 3.544 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.759 0.555 2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.925 -0.138 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.123 2.648 3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.835 1.050 4.029 1.00 0.00 H new ATOM 312 N LEU A 20 -10.818 5.954 1.154 1.00 0.00 N ATOM 313 CA LEU A 20 -11.624 6.398 0.029 1.00 0.00 C ATOM 314 C LEU A 20 -10.806 7.365 -0.829 1.00 0.00 C ATOM 315 O LEU A 20 -10.996 7.436 -2.042 1.00 0.00 O ATOM 316 CB LEU A 20 -12.951 6.982 0.520 1.00 0.00 C ATOM 317 CG LEU A 20 -13.205 8.451 0.175 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.579 8.902 0.676 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.081 9.342 0.708 1.00 0.00 C ATOM 0 H LEU A 20 -11.322 5.881 2.038 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.889 5.554 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.764 6.386 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.996 6.871 1.603 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.208 8.551 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.734 9.950 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.354 8.294 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.628 8.784 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.286 10.381 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.021 9.243 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.134 9.038 0.263 1.00 0.00 H new ATOM 331 N LEU A 21 -9.915 8.086 -0.165 1.00 0.00 N ATOM 332 CA LEU A 21 -9.067 9.046 -0.852 1.00 0.00 C ATOM 333 C LEU A 21 -8.108 8.300 -1.782 1.00 0.00 C ATOM 334 O LEU A 21 -8.015 8.617 -2.966 1.00 0.00 O ATOM 335 CB LEU A 21 -8.362 9.956 0.156 1.00 0.00 C ATOM 336 CG LEU A 21 -9.098 11.247 0.523 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.580 11.817 1.845 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.016 12.268 -0.614 1.00 0.00 C ATOM 0 H LEU A 21 -9.762 8.025 0.842 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.669 9.706 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.189 9.388 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.384 10.220 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.152 11.010 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.120 12.734 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.735 11.089 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.516 12.035 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.547 13.176 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.971 12.507 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.471 11.850 -1.512 1.00 0.00 H new ATOM 350 N LEU A 22 -7.422 7.321 -1.210 1.00 0.00 N ATOM 351 CA LEU A 22 -6.474 6.528 -1.972 1.00 0.00 C ATOM 352 C LEU A 22 -7.236 5.640 -2.959 1.00 0.00 C ATOM 353 O LEU A 22 -6.877 5.560 -4.132 1.00 0.00 O ATOM 354 CB LEU A 22 -5.548 5.751 -1.033 1.00 0.00 C ATOM 355 CG LEU A 22 -6.237 4.905 0.039 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.910 3.678 -0.578 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.256 4.524 1.150 1.00 0.00 C ATOM 0 H LEU A 22 -7.504 7.059 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.823 7.174 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.919 5.096 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.886 6.461 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.023 5.506 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.392 3.094 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.658 3.999 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.160 3.065 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.771 3.923 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.432 3.949 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.865 5.428 1.616 1.00 0.00 H new ATOM 369 N GLY A 23 -8.273 4.995 -2.445 1.00 0.00 N ATOM 370 CA GLY A 23 -9.089 4.117 -3.266 1.00 0.00 C ATOM 371 C GLY A 23 -9.663 4.867 -4.470 1.00 0.00 C ATOM 372 O GLY A 23 -9.886 4.277 -5.526 1.00 0.00 O ATOM 0 H GLY A 23 -8.567 5.063 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.489 3.274 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.902 3.706 -2.668 1.00 0.00 H new ATOM 376 N ASP A 24 -9.887 6.157 -4.270 1.00 0.00 N ATOM 377 CA ASP A 24 -10.432 6.995 -5.325 1.00 0.00 C ATOM 378 C ASP A 24 -9.336 7.291 -6.351 1.00 0.00 C ATOM 379 O ASP A 24 -9.541 7.115 -7.551 1.00 0.00 O ATOM 380 CB ASP A 24 -10.931 8.329 -4.767 1.00 0.00 C ATOM 381 CG ASP A 24 -12.428 8.380 -4.456 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.917 7.398 -3.855 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.050 9.399 -4.825 1.00 0.00 O ATOM 0 H ASP A 24 -9.701 6.643 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.266 6.462 -5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.378 8.554 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.697 9.116 -5.484 1.00 0.00 H new ATOM 388 N ALA A 25 -8.197 7.735 -5.841 1.00 0.00 N ATOM 389 CA ALA A 25 -7.068 8.058 -6.698 1.00 0.00 C ATOM 390 C ALA A 25 -6.554 6.778 -7.360 1.00 0.00 C ATOM 391 O ALA A 25 -6.279 6.764 -8.559 1.00 0.00 O ATOM 392 CB ALA A 25 -5.989 8.763 -5.876 1.00 0.00 C ATOM 0 H ALA A 25 -8.031 7.879 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.371 8.741 -7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.142 9.005 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.396 9.680 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.658 8.107 -5.071 1.00 0.00 H new ATOM 398 N LEU A 26 -6.442 5.736 -6.552 1.00 0.00 N ATOM 399 CA LEU A 26 -5.966 4.454 -7.044 1.00 0.00 C ATOM 400 C LEU A 26 -6.846 4.002 -8.210 1.00 0.00 C ATOM 401 O LEU A 26 -6.340 3.609 -9.259 1.00 0.00 O ATOM 402 CB LEU A 26 -5.887 3.438 -5.903 1.00 0.00 C ATOM 403 CG LEU A 26 -4.587 3.436 -5.095 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.367 3.462 -6.018 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.567 4.587 -4.087 1.00 0.00 C ATOM 0 H LEU A 26 -6.673 5.752 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.950 4.547 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.716 3.624 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.034 2.442 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.540 2.508 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.457 3.460 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.379 2.583 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.395 4.362 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.633 4.563 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.648 5.536 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.406 4.483 -3.399 1.00 0.00 H new ATOM 417 N GLN A 27 -8.151 4.073 -7.987 1.00 0.00 N ATOM 418 CA GLN A 27 -9.108 3.676 -9.006 1.00 0.00 C ATOM 419 C GLN A 27 -8.936 4.537 -10.259 1.00 0.00 C ATOM 420 O GLN A 27 -9.179 4.076 -11.373 1.00 0.00 O ATOM 421 CB GLN A 27 -10.539 3.758 -8.476 1.00 0.00 C ATOM 422 CG GLN A 27 -11.039 5.204 -8.464 1.00 0.00 C ATOM 423 CD GLN A 27 -12.453 5.301 -9.038 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.672 5.212 -10.235 1.00 0.00 O ATOM 425 NE2 GLN A 27 -13.398 5.489 -8.121 1.00 0.00 N ATOM 0 H GLN A 27 -8.568 4.400 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.915 2.637 -9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.196 3.148 -9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.581 3.347 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.030 5.587 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.363 5.831 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.146 5.555 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.375 5.568 -8.404 1.00 0.00 H new ATOM 434 N GLN A 28 -8.521 5.775 -10.035 1.00 0.00 N ATOM 435 CA GLN A 28 -8.314 6.706 -11.131 1.00 0.00 C ATOM 436 C GLN A 28 -7.033 6.358 -11.889 1.00 0.00 C ATOM 437 O GLN A 28 -6.798 6.864 -12.986 1.00 0.00 O ATOM 438 CB GLN A 28 -8.278 8.150 -10.626 1.00 0.00 C ATOM 439 CG GLN A 28 -8.754 9.122 -11.707 1.00 0.00 C ATOM 440 CD GLN A 28 -7.987 10.444 -11.632 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.453 11.432 -11.089 1.00 0.00 O ATOM 442 NE2 GLN A 28 -6.788 10.407 -12.208 1.00 0.00 N ATOM 0 H GLN A 28 -8.322 6.155 -9.110 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.155 6.618 -11.819 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.909 8.246 -9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.263 8.407 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.617 8.673 -12.691 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.821 9.309 -11.588 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.459 9.546 -12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.198 11.239 -12.212 1.00 0.00 H new ATOM 451 N LEU A 29 -6.234 5.497 -11.275 1.00 0.00 N ATOM 452 CA LEU A 29 -4.981 5.075 -11.877 1.00 0.00 C ATOM 453 C LEU A 29 -5.253 3.941 -12.867 1.00 0.00 C ATOM 454 O LEU A 29 -4.784 3.980 -14.004 1.00 0.00 O ATOM 455 CB LEU A 29 -3.960 4.717 -10.796 1.00 0.00 C ATOM 456 CG LEU A 29 -3.811 3.226 -10.483 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.986 2.520 -11.561 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.228 3.016 -9.084 1.00 0.00 C ATOM 0 H LEU A 29 -6.431 5.080 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.536 5.893 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.987 5.103 -11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.236 5.235 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.803 2.774 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.895 1.462 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.481 2.627 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.993 2.968 -11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.132 1.948 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.246 3.486 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.890 3.464 -8.343 1.00 0.00 H new ATOM 470 N GLY A 30 -6.009 2.959 -12.400 1.00 0.00 N ATOM 471 CA GLY A 30 -6.349 1.816 -13.231 1.00 0.00 C ATOM 472 C GLY A 30 -5.851 0.513 -12.601 1.00 0.00 C ATOM 473 O GLY A 30 -5.031 -0.190 -13.188 1.00 0.00 O ATOM 0 H GLY A 30 -6.396 2.931 -11.457 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.430 1.769 -13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.909 1.937 -14.221 1.00 0.00 H new ATOM 477 N PHE A 31 -6.368 0.232 -11.414 1.00 0.00 N ATOM 478 CA PHE A 31 -5.986 -0.974 -10.699 1.00 0.00 C ATOM 479 C PHE A 31 -6.673 -2.204 -11.292 1.00 0.00 C ATOM 480 O PHE A 31 -7.557 -2.079 -12.139 1.00 0.00 O ATOM 481 CB PHE A 31 -6.444 -0.798 -9.249 1.00 0.00 C ATOM 482 CG PHE A 31 -7.961 -0.689 -9.085 1.00 0.00 C ATOM 483 CD1 PHE A 31 -8.758 -1.737 -9.424 1.00 0.00 C ATOM 484 CD2 PHE A 31 -8.513 0.456 -8.600 1.00 0.00 C ATOM 485 CE1 PHE A 31 -10.167 -1.637 -9.271 1.00 0.00 C ATOM 486 CE2 PHE A 31 -9.921 0.557 -8.448 1.00 0.00 C ATOM 487 CZ PHE A 31 -10.718 -0.491 -8.787 1.00 0.00 C ATOM 0 H PHE A 31 -7.048 0.818 -10.930 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.909 -1.123 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.085 -1.642 -8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.979 0.098 -8.838 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.320 -2.646 -9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.880 1.288 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.800 -2.470 -9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.359 1.466 -8.063 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.789 -0.414 -8.672 1.00 0.00 H new ATOM 497 N LYS A 32 -6.242 -3.367 -10.824 1.00 0.00 N ATOM 498 CA LYS A 32 -6.804 -4.619 -11.299 1.00 0.00 C ATOM 499 C LYS A 32 -8.070 -4.940 -10.499 1.00 0.00 C ATOM 500 O LYS A 32 -9.162 -5.011 -11.061 1.00 0.00 O ATOM 501 CB LYS A 32 -5.753 -5.730 -11.257 1.00 0.00 C ATOM 502 CG LYS A 32 -5.452 -6.255 -12.662 1.00 0.00 C ATOM 503 CD LYS A 32 -4.316 -5.463 -13.311 1.00 0.00 C ATOM 504 CE LYS A 32 -4.227 -5.759 -14.810 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.734 -4.573 -15.545 1.00 0.00 N ATOM 0 H LYS A 32 -5.510 -3.468 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.099 -4.531 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.837 -5.352 -10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.107 -6.547 -10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.181 -7.310 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.347 -6.186 -13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.477 -4.396 -13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.371 -5.716 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.559 -6.603 -14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.208 -6.047 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.680 -4.792 -16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.386 -3.777 -15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.789 -4.316 -15.195 1.00 0.00 H new ATOM 519 N GLN A 33 -7.880 -5.127 -9.201 1.00 0.00 N ATOM 520 CA GLN A 33 -8.992 -5.438 -8.320 1.00 0.00 C ATOM 521 C GLN A 33 -8.799 -4.760 -6.962 1.00 0.00 C ATOM 522 O GLN A 33 -8.084 -5.274 -6.103 1.00 0.00 O ATOM 523 CB GLN A 33 -9.157 -6.951 -8.158 1.00 0.00 C ATOM 524 CG GLN A 33 -10.550 -7.401 -8.601 1.00 0.00 C ATOM 525 CD GLN A 33 -11.204 -8.286 -7.539 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.042 -8.091 -6.346 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.950 -9.269 -8.037 1.00 0.00 N ATOM 0 H GLN A 33 -6.973 -5.069 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.906 -5.052 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.399 -7.468 -8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.995 -7.229 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.176 -6.528 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.477 -7.948 -9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.044 -9.377 -9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.428 -9.915 -7.409 1.00 0.00 H new ATOM 536 N ILE A 34 -9.448 -3.615 -6.811 1.00 0.00 N ATOM 537 CA ILE A 34 -9.357 -2.861 -5.572 1.00 0.00 C ATOM 538 C ILE A 34 -10.170 -3.570 -4.487 1.00 0.00 C ATOM 539 O ILE A 34 -11.263 -4.069 -4.751 1.00 0.00 O ATOM 540 CB ILE A 34 -9.773 -1.406 -5.799 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.555 -0.479 -5.789 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.831 -0.973 -4.782 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.983 0.989 -5.770 1.00 0.00 C ATOM 0 H ILE A 34 -10.039 -3.191 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.325 -2.824 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.227 -1.331 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.938 -0.693 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.940 -0.671 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.109 0.065 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.712 -1.607 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.427 -1.067 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.098 1.626 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.579 1.206 -6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.577 1.183 -4.877 1.00 0.00 H new ATOM 555 N THR A 35 -9.604 -3.593 -3.289 1.00 0.00 N ATOM 556 CA THR A 35 -10.262 -4.234 -2.163 1.00 0.00 C ATOM 557 C THR A 35 -10.067 -3.407 -0.890 1.00 0.00 C ATOM 558 O THR A 35 -8.944 -3.253 -0.413 1.00 0.00 O ATOM 559 CB THR A 35 -9.724 -5.661 -2.049 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.870 -6.440 -1.719 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.792 -5.841 -0.849 1.00 0.00 C ATOM 0 H THR A 35 -8.697 -3.178 -3.074 1.00 0.00 H new ATOM 0 HA THR A 35 -11.340 -4.290 -2.315 1.00 0.00 H new ATOM 0 HB THR A 35 -9.192 -5.922 -2.964 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.611 -7.381 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.438 -6.871 -0.814 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.940 -5.168 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.333 -5.612 0.069 1.00 0.00 H new ATOM 569 N ALA A 36 -11.177 -2.898 -0.377 1.00 0.00 N ATOM 570 CA ALA A 36 -11.142 -2.091 0.831 1.00 0.00 C ATOM 571 C ALA A 36 -11.490 -2.969 2.035 1.00 0.00 C ATOM 572 O ALA A 36 -12.290 -3.896 1.921 1.00 0.00 O ATOM 573 CB ALA A 36 -12.094 -0.903 0.679 1.00 0.00 C ATOM 0 H ALA A 36 -12.107 -3.029 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.143 -1.688 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.068 -0.298 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.785 -0.296 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.108 -1.268 0.516 1.00 0.00 H new ATOM 579 N ALA A 37 -10.873 -2.644 3.161 1.00 0.00 N ATOM 580 CA ALA A 37 -11.108 -3.391 4.385 1.00 0.00 C ATOM 581 C ALA A 37 -11.336 -2.411 5.539 1.00 0.00 C ATOM 582 O ALA A 37 -11.348 -1.198 5.335 1.00 0.00 O ATOM 583 CB ALA A 37 -9.930 -4.332 4.643 1.00 0.00 C ATOM 0 H ALA A 37 -10.211 -1.874 3.252 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.003 -4.007 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.106 -4.892 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.829 -5.026 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.014 -3.749 4.744 1.00 0.00 H new ATOM 589 N GLY A 38 -11.510 -2.975 6.726 1.00 0.00 N ATOM 590 CA GLY A 38 -11.737 -2.167 7.911 1.00 0.00 C ATOM 591 C GLY A 38 -10.545 -1.249 8.185 1.00 0.00 C ATOM 592 O GLY A 38 -10.696 -0.029 8.240 1.00 0.00 O ATOM 0 H GLY A 38 -11.498 -3.981 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.639 -1.569 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.906 -2.815 8.771 1.00 0.00 H new ATOM 596 N ASP A 39 -9.386 -1.869 8.348 1.00 0.00 N ATOM 597 CA ASP A 39 -8.168 -1.123 8.615 1.00 0.00 C ATOM 598 C ASP A 39 -7.007 -2.100 8.805 1.00 0.00 C ATOM 599 O ASP A 39 -7.219 -3.305 8.936 1.00 0.00 O ATOM 600 CB ASP A 39 -8.301 -0.291 9.893 1.00 0.00 C ATOM 601 CG ASP A 39 -9.399 -0.751 10.853 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.277 -1.890 11.352 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.337 0.048 11.065 1.00 0.00 O ATOM 0 H ASP A 39 -9.264 -2.881 8.300 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.987 -0.459 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.347 -0.308 10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.493 0.745 9.615 1.00 0.00 H new ATOM 608 N GLY A 40 -5.804 -1.545 8.815 1.00 0.00 N ATOM 609 CA GLY A 40 -4.608 -2.353 8.986 1.00 0.00 C ATOM 610 C GLY A 40 -4.885 -3.820 8.652 1.00 0.00 C ATOM 611 O GLY A 40 -5.151 -4.159 7.501 1.00 0.00 O ATOM 0 H GLY A 40 -5.632 -0.545 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.814 -1.974 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.253 -2.271 10.013 1.00 0.00 H new ATOM 615 N GLU A 41 -4.813 -4.651 9.682 1.00 0.00 N ATOM 616 CA GLU A 41 -5.054 -6.074 9.513 1.00 0.00 C ATOM 617 C GLU A 41 -6.384 -6.306 8.793 1.00 0.00 C ATOM 618 O GLU A 41 -6.435 -7.021 7.793 1.00 0.00 O ATOM 619 CB GLU A 41 -5.026 -6.798 10.861 1.00 0.00 C ATOM 620 CG GLU A 41 -6.341 -6.600 11.617 1.00 0.00 C ATOM 621 CD GLU A 41 -6.312 -7.323 12.966 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.216 -7.804 13.328 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.386 -7.378 13.603 1.00 0.00 O ATOM 0 H GLU A 41 -4.591 -4.366 10.636 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.254 -6.488 8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.850 -7.862 10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.197 -6.424 11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.518 -5.536 11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.170 -6.975 11.017 1.00 0.00 H new ATOM 630 N GLN A 42 -7.426 -5.689 9.329 1.00 0.00 N ATOM 631 CA GLN A 42 -8.753 -5.819 8.751 1.00 0.00 C ATOM 632 C GLN A 42 -8.665 -5.852 7.224 1.00 0.00 C ATOM 633 O GLN A 42 -9.505 -6.460 6.563 1.00 0.00 O ATOM 634 CB GLN A 42 -9.671 -4.690 9.223 1.00 0.00 C ATOM 635 CG GLN A 42 -10.720 -5.212 10.207 1.00 0.00 C ATOM 636 CD GLN A 42 -11.994 -5.639 9.476 1.00 0.00 C ATOM 637 OE1 GLN A 42 -11.988 -5.950 8.295 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.082 -5.636 10.239 1.00 0.00 N ATOM 0 H GLN A 42 -7.379 -5.097 10.158 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.186 -6.760 9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.078 -3.909 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.166 -4.236 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.314 -6.058 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.957 -4.437 10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.016 -5.365 11.220 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.983 -5.905 9.844 1.00 0.00 H new ATOM 647 N GLY A 43 -7.639 -5.191 6.708 1.00 0.00 N ATOM 648 CA GLY A 43 -7.430 -5.137 5.271 1.00 0.00 C ATOM 649 C GLY A 43 -6.216 -5.973 4.862 1.00 0.00 C ATOM 650 O GLY A 43 -6.276 -6.728 3.893 1.00 0.00 O ATOM 0 H GLY A 43 -6.943 -4.688 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.318 -5.503 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.285 -4.103 4.960 1.00 0.00 H new ATOM 654 N MET A 44 -5.142 -5.810 5.621 1.00 0.00 N ATOM 655 CA MET A 44 -3.915 -6.540 5.349 1.00 0.00 C ATOM 656 C MET A 44 -4.171 -8.047 5.316 1.00 0.00 C ATOM 657 O MET A 44 -3.775 -8.728 4.370 1.00 0.00 O ATOM 658 CB MET A 44 -2.880 -6.220 6.430 1.00 0.00 C ATOM 659 CG MET A 44 -2.037 -7.453 6.763 1.00 0.00 C ATOM 660 SD MET A 44 -1.199 -8.033 5.298 1.00 0.00 S ATOM 661 CE MET A 44 -0.673 -9.644 5.859 1.00 0.00 C ATOM 0 H MET A 44 -5.096 -5.183 6.424 1.00 0.00 H new ATOM 0 HA MET A 44 -3.540 -6.233 4.373 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.232 -5.412 6.090 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.385 -5.866 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.308 -7.208 7.536 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.674 -8.242 7.164 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.160 -10.162 5.049 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.006 -9.531 6.704 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.543 -10.224 6.167 1.00 0.00 H new ATOM 671 N LYS A 45 -4.831 -8.526 6.360 1.00 0.00 N ATOM 672 CA LYS A 45 -5.145 -9.941 6.462 1.00 0.00 C ATOM 673 C LYS A 45 -5.936 -10.375 5.228 1.00 0.00 C ATOM 674 O LYS A 45 -5.754 -11.484 4.726 1.00 0.00 O ATOM 675 CB LYS A 45 -5.856 -10.239 7.785 1.00 0.00 C ATOM 676 CG LYS A 45 -5.222 -9.456 8.936 1.00 0.00 C ATOM 677 CD LYS A 45 -5.041 -10.344 10.169 1.00 0.00 C ATOM 678 CE LYS A 45 -6.391 -10.667 10.814 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.214 -11.600 11.948 1.00 0.00 N ATOM 0 H LYS A 45 -5.157 -7.959 7.143 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.230 -10.533 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.911 -9.979 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.806 -11.307 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.256 -9.061 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.849 -8.601 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.539 -11.269 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.399 -9.842 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.863 -9.748 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.058 -11.108 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.140 -11.808 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.783 -12.483 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.595 -11.166 12.662 1.00 0.00 H new ATOM 693 N ILE A 46 -6.799 -9.478 4.772 1.00 0.00 N ATOM 694 CA ILE A 46 -7.620 -9.755 3.605 1.00 0.00 C ATOM 695 C ILE A 46 -6.712 -10.048 2.407 1.00 0.00 C ATOM 696 O ILE A 46 -6.949 -10.999 1.664 1.00 0.00 O ATOM 697 CB ILE A 46 -8.607 -8.612 3.362 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.947 -8.890 4.050 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.777 -8.343 1.865 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.734 -9.524 5.425 1.00 0.00 C ATOM 0 H ILE A 46 -6.947 -8.559 5.190 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.230 -10.643 3.769 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.197 -7.706 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.505 -7.960 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.549 -9.553 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.484 -7.526 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.814 -8.071 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.154 -9.240 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.700 -9.712 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.197 -10.466 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.153 -8.847 6.052 1.00 0.00 H new ATOM 712 N MET A 47 -5.695 -9.213 2.258 1.00 0.00 N ATOM 713 CA MET A 47 -4.752 -9.371 1.164 1.00 0.00 C ATOM 714 C MET A 47 -3.937 -10.657 1.323 1.00 0.00 C ATOM 715 O MET A 47 -3.557 -11.281 0.335 1.00 0.00 O ATOM 716 CB MET A 47 -3.806 -8.169 1.128 1.00 0.00 C ATOM 717 CG MET A 47 -4.514 -6.932 0.573 1.00 0.00 C ATOM 718 SD MET A 47 -4.719 -7.085 -1.194 1.00 0.00 S ATOM 719 CE MET A 47 -3.215 -6.301 -1.750 1.00 0.00 C ATOM 0 H MET A 47 -5.503 -8.425 2.876 1.00 0.00 H new ATOM 0 HA MET A 47 -5.313 -9.432 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.437 -7.962 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.938 -8.403 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.486 -6.815 1.051 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.935 -6.038 0.804 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.047 -6.539 -2.800 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.303 -5.221 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.375 -6.663 -1.157 1.00 0.00 H new ATOM 729 N ALA A 48 -3.694 -11.015 2.576 1.00 0.00 N ATOM 730 CA ALA A 48 -2.933 -12.214 2.878 1.00 0.00 C ATOM 731 C ALA A 48 -3.687 -13.437 2.352 1.00 0.00 C ATOM 732 O ALA A 48 -3.101 -14.298 1.696 1.00 0.00 O ATOM 733 CB ALA A 48 -2.676 -12.291 4.383 1.00 0.00 C ATOM 0 H ALA A 48 -4.011 -10.495 3.394 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.962 -12.187 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.105 -13.191 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.112 -11.414 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.628 -12.323 4.913 1.00 0.00 H new ATOM 739 N GLN A 49 -4.975 -13.476 2.660 1.00 0.00 N ATOM 740 CA GLN A 49 -5.815 -14.580 2.226 1.00 0.00 C ATOM 741 C GLN A 49 -5.915 -14.603 0.700 1.00 0.00 C ATOM 742 O GLN A 49 -5.488 -15.565 0.061 1.00 0.00 O ATOM 743 CB GLN A 49 -7.203 -14.496 2.865 1.00 0.00 C ATOM 744 CG GLN A 49 -7.099 -14.279 4.376 1.00 0.00 C ATOM 745 CD GLN A 49 -7.425 -15.565 5.139 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.399 -16.660 4.600 1.00 0.00 O ATOM 747 NE2 GLN A 49 -7.735 -15.371 6.417 1.00 0.00 N ATOM 0 H GLN A 49 -5.458 -12.761 3.205 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.355 -15.512 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.766 -13.678 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.756 -15.413 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.093 -13.946 4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.783 -13.487 4.681 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.737 -14.427 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.971 -16.166 7.011 1.00 0.00 H new ATOM 756 N ASN A 50 -6.480 -13.535 0.159 1.00 0.00 N ATOM 757 CA ASN A 50 -6.641 -13.421 -1.280 1.00 0.00 C ATOM 758 C ASN A 50 -5.323 -12.955 -1.902 1.00 0.00 C ATOM 759 O ASN A 50 -4.329 -12.781 -1.198 1.00 0.00 O ATOM 760 CB ASN A 50 -7.720 -12.396 -1.635 1.00 0.00 C ATOM 761 CG ASN A 50 -8.640 -12.133 -0.441 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.905 -13.000 0.375 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.110 -10.890 -0.384 1.00 0.00 N ATOM 0 H ASN A 50 -6.832 -12.740 0.692 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.932 -14.399 -1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.251 -11.464 -1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.308 -12.758 -2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.732 -10.614 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.848 -10.213 -1.100 1.00 0.00 H new ATOM 770 N PRO A 51 -5.360 -12.759 -3.247 1.00 0.00 N ATOM 771 CA PRO A 51 -4.179 -12.316 -3.971 1.00 0.00 C ATOM 772 C PRO A 51 -3.914 -10.828 -3.726 1.00 0.00 C ATOM 773 O PRO A 51 -4.848 -10.041 -3.588 1.00 0.00 O ATOM 774 CB PRO A 51 -4.469 -12.636 -5.428 1.00 0.00 C ATOM 775 CG PRO A 51 -5.974 -12.817 -5.524 1.00 0.00 C ATOM 776 CD PRO A 51 -6.519 -12.954 -4.112 1.00 0.00 C ATOM 0 HA PRO A 51 -3.269 -12.817 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.130 -11.830 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.946 -13.540 -5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.429 -11.964 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.215 -13.702 -6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.292 -12.212 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.970 -13.934 -3.955 1.00 0.00 H new ATOM 784 N HIS A 52 -2.633 -10.489 -3.681 1.00 0.00 N ATOM 785 CA HIS A 52 -2.233 -9.111 -3.457 1.00 0.00 C ATOM 786 C HIS A 52 -1.067 -8.757 -4.383 1.00 0.00 C ATOM 787 O HIS A 52 -0.249 -9.616 -4.711 1.00 0.00 O ATOM 788 CB HIS A 52 -1.910 -8.872 -1.981 1.00 0.00 C ATOM 789 CG HIS A 52 -1.042 -9.941 -1.361 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.171 -10.343 -0.044 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.031 -10.687 -1.893 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.274 -11.287 0.197 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.432 -11.499 -0.951 1.00 0.00 N ATOM 0 H HIS A 52 -1.860 -11.145 -3.796 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.061 -8.445 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.410 -7.909 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.843 -8.806 -1.422 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.844 -9.974 0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.331 -10.627 -2.909 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.127 -11.799 1.137 1.00 0.00 H new ATOM 802 N HIS A 53 -1.028 -7.493 -4.777 1.00 0.00 N ATOM 803 CA HIS A 53 0.023 -7.016 -5.659 1.00 0.00 C ATOM 804 C HIS A 53 0.459 -5.614 -5.227 1.00 0.00 C ATOM 805 O HIS A 53 1.647 -5.300 -5.235 1.00 0.00 O ATOM 806 CB HIS A 53 -0.425 -7.074 -7.121 1.00 0.00 C ATOM 807 CG HIS A 53 0.709 -6.989 -8.114 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.535 -7.202 -9.471 1.00 0.00 N ATOM 809 CD2 HIS A 53 2.032 -6.712 -7.936 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.706 -7.058 -10.072 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.634 -6.755 -9.117 1.00 0.00 N ATOM 0 H HIS A 53 -1.708 -6.784 -4.501 1.00 0.00 H new ATOM 0 HA HIS A 53 0.892 -7.669 -5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.971 -8.003 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.122 -6.257 -7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.509 -6.494 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.894 -7.162 -11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.626 -6.589 -9.284 1.00 0.00 H new ATOM 820 N LEU A 54 -0.529 -4.810 -4.861 1.00 0.00 N ATOM 821 CA LEU A 54 -0.263 -3.449 -4.428 1.00 0.00 C ATOM 822 C LEU A 54 -1.165 -3.112 -3.239 1.00 0.00 C ATOM 823 O LEU A 54 -2.379 -2.990 -3.390 1.00 0.00 O ATOM 824 CB LEU A 54 -0.403 -2.476 -5.599 1.00 0.00 C ATOM 825 CG LEU A 54 -0.298 -0.989 -5.254 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.137 -0.487 -5.422 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.293 -0.164 -6.072 1.00 0.00 C ATOM 0 H LEU A 54 -1.514 -5.075 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 54 0.768 -3.353 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.365 -2.713 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.367 -2.650 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.562 -0.863 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.184 0.573 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.798 -1.047 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.453 -0.629 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.197 0.889 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.085 -0.291 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.307 -0.501 -5.858 1.00 0.00 H new ATOM 839 N VAL A 55 -0.535 -2.972 -2.081 1.00 0.00 N ATOM 840 CA VAL A 55 -1.265 -2.652 -0.865 1.00 0.00 C ATOM 841 C VAL A 55 -1.213 -1.142 -0.627 1.00 0.00 C ATOM 842 O VAL A 55 -0.154 -0.527 -0.751 1.00 0.00 O ATOM 843 CB VAL A 55 -0.709 -3.462 0.308 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.975 -2.754 1.638 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.285 -4.880 0.316 1.00 0.00 C ATOM 0 H VAL A 55 0.473 -3.074 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.314 -2.929 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 55 0.371 -3.540 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.570 -3.351 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.496 -1.775 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.049 -2.631 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.874 -5.435 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.370 -4.831 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.022 -5.385 -0.613 1.00 0.00 H new ATOM 855 N ILE A 56 -2.368 -0.588 -0.289 1.00 0.00 N ATOM 856 CA ILE A 56 -2.466 0.839 -0.032 1.00 0.00 C ATOM 857 C ILE A 56 -3.323 1.070 1.215 1.00 0.00 C ATOM 858 O ILE A 56 -4.482 0.661 1.261 1.00 0.00 O ATOM 859 CB ILE A 56 -2.978 1.573 -1.273 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.065 0.761 -1.981 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.825 1.929 -2.213 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.471 -0.471 -2.667 1.00 0.00 C ATOM 0 H ILE A 56 -3.244 -1.101 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.481 1.257 0.174 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.434 2.510 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.820 0.451 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.568 1.386 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.216 2.450 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.117 2.574 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.319 1.017 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.265 -1.030 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.734 -0.156 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.990 -1.106 -1.922 1.00 0.00 H new ATOM 874 N SER A 57 -2.718 1.724 2.196 1.00 0.00 N ATOM 875 CA SER A 57 -3.411 2.014 3.439 1.00 0.00 C ATOM 876 C SER A 57 -3.002 3.396 3.956 1.00 0.00 C ATOM 877 O SER A 57 -2.265 4.120 3.288 1.00 0.00 O ATOM 878 CB SER A 57 -3.119 0.945 4.494 1.00 0.00 C ATOM 879 OG SER A 57 -3.311 1.436 5.819 1.00 0.00 O ATOM 0 H SER A 57 -1.756 2.061 2.155 1.00 0.00 H new ATOM 0 HA SER A 57 -4.483 2.009 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.768 0.085 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.093 0.596 4.382 1.00 0.00 H new ATOM 0 HG SER A 57 -3.116 0.724 6.463 1.00 0.00 H new ATOM 885 N ASP A 58 -3.499 3.719 5.141 1.00 0.00 N ATOM 886 CA ASP A 58 -3.195 5.001 5.755 1.00 0.00 C ATOM 887 C ASP A 58 -1.881 4.891 6.531 1.00 0.00 C ATOM 888 O ASP A 58 -1.421 3.790 6.828 1.00 0.00 O ATOM 889 CB ASP A 58 -4.291 5.414 6.739 1.00 0.00 C ATOM 890 CG ASP A 58 -4.722 4.325 7.722 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.384 3.152 7.453 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.382 4.689 8.719 1.00 0.00 O ATOM 0 H ASP A 58 -4.110 3.116 5.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.122 5.746 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.942 6.277 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.164 5.737 6.172 1.00 0.00 H new ATOM 897 N PHE A 59 -1.312 6.048 6.836 1.00 0.00 N ATOM 898 CA PHE A 59 -0.059 6.095 7.572 1.00 0.00 C ATOM 899 C PHE A 59 -0.295 5.889 9.069 1.00 0.00 C ATOM 900 O PHE A 59 0.644 5.626 9.819 1.00 0.00 O ATOM 901 CB PHE A 59 0.538 7.486 7.348 1.00 0.00 C ATOM 902 CG PHE A 59 1.887 7.474 6.625 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.780 6.477 6.868 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.193 8.461 5.741 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.032 6.467 6.197 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.445 8.450 5.071 1.00 0.00 C ATOM 907 CZ PHE A 59 4.338 7.453 5.313 1.00 0.00 C ATOM 0 H PHE A 59 -1.695 6.960 6.587 1.00 0.00 H new ATOM 0 HA PHE A 59 0.607 5.305 7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.167 8.084 6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.659 7.978 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.537 5.694 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.484 9.253 5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.741 5.675 6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.688 9.234 4.369 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.290 7.445 4.803 1.00 0.00 H new ATOM 917 N ASN A 60 -1.554 6.018 9.461 1.00 0.00 N ATOM 918 CA ASN A 60 -1.925 5.850 10.856 1.00 0.00 C ATOM 919 C ASN A 60 -1.266 4.583 11.405 1.00 0.00 C ATOM 920 O ASN A 60 -0.601 3.857 10.668 1.00 0.00 O ATOM 921 CB ASN A 60 -3.440 5.699 11.009 1.00 0.00 C ATOM 922 CG ASN A 60 -4.138 7.058 10.915 1.00 0.00 C ATOM 923 OD1 ASN A 60 -3.664 8.065 11.415 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.289 7.030 10.249 1.00 0.00 N ATOM 0 H ASN A 60 -2.330 6.237 8.837 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.594 6.733 11.402 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.823 5.035 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.668 5.234 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.832 7.886 10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.629 6.153 9.855 1.00 0.00 H new ATOM 931 N MET A 61 -1.474 4.358 12.694 1.00 0.00 N ATOM 932 CA MET A 61 -0.909 3.191 13.350 1.00 0.00 C ATOM 933 C MET A 61 -1.998 2.173 13.693 1.00 0.00 C ATOM 934 O MET A 61 -2.312 1.965 14.863 1.00 0.00 O ATOM 935 CB MET A 61 -0.191 3.622 14.631 1.00 0.00 C ATOM 936 CG MET A 61 -1.194 4.058 15.700 1.00 0.00 C ATOM 937 SD MET A 61 -0.566 5.473 16.589 1.00 0.00 S ATOM 938 CE MET A 61 -1.822 5.634 17.845 1.00 0.00 C ATOM 0 H MET A 61 -2.026 4.964 13.301 1.00 0.00 H new ATOM 0 HA MET A 61 -0.201 2.721 12.667 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.413 2.797 15.009 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.492 4.443 14.411 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.148 4.305 15.235 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.380 3.237 16.392 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.583 6.478 18.493 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.790 5.802 17.372 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.862 4.721 18.439 1.00 0.00 H new ATOM 948 N PRO A 62 -2.558 1.548 12.623 1.00 0.00 N ATOM 949 CA PRO A 62 -3.606 0.558 12.800 1.00 0.00 C ATOM 950 C PRO A 62 -3.030 -0.764 13.312 1.00 0.00 C ATOM 951 O PRO A 62 -1.928 -0.795 13.858 1.00 0.00 O ATOM 952 CB PRO A 62 -4.261 0.430 11.433 1.00 0.00 C ATOM 953 CG PRO A 62 -3.264 1.003 10.438 1.00 0.00 C ATOM 954 CD PRO A 62 -2.211 1.769 11.222 1.00 0.00 C ATOM 0 HA PRO A 62 -4.338 0.850 13.553 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.487 -0.611 11.204 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.204 0.975 11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.802 0.204 9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.767 1.662 9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.208 1.404 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.226 2.830 10.973 1.00 0.00 H new ATOM 962 N LYS A 63 -3.801 -1.824 13.117 1.00 0.00 N ATOM 963 CA LYS A 63 -3.381 -3.145 13.553 1.00 0.00 C ATOM 964 C LYS A 63 -2.060 -3.506 12.872 1.00 0.00 C ATOM 965 O LYS A 63 -1.230 -4.207 13.450 1.00 0.00 O ATOM 966 CB LYS A 63 -4.495 -4.167 13.317 1.00 0.00 C ATOM 967 CG LYS A 63 -5.435 -4.241 14.522 1.00 0.00 C ATOM 968 CD LYS A 63 -5.141 -5.479 15.371 1.00 0.00 C ATOM 969 CE LYS A 63 -3.663 -5.864 15.284 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.221 -6.511 16.540 1.00 0.00 N ATOM 0 H LYS A 63 -4.714 -1.795 12.663 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.198 -3.151 14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.061 -3.894 12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.059 -5.149 13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.324 -3.344 15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.470 -4.268 14.180 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.409 -5.285 16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.758 -6.311 15.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.506 -6.541 14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.060 -4.976 15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.216 -6.766 16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.352 -5.853 17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.784 -7.370 16.705 1.00 0.00 H new ATOM 984 N MET A 64 -1.906 -3.013 11.652 1.00 0.00 N ATOM 985 CA MET A 64 -0.700 -3.275 10.885 1.00 0.00 C ATOM 986 C MET A 64 -0.369 -2.099 9.963 1.00 0.00 C ATOM 987 O MET A 64 -1.157 -1.756 9.082 1.00 0.00 O ATOM 988 CB MET A 64 -0.892 -4.541 10.049 1.00 0.00 C ATOM 989 CG MET A 64 -1.602 -5.630 10.856 1.00 0.00 C ATOM 990 SD MET A 64 -1.360 -7.220 10.082 1.00 0.00 S ATOM 991 CE MET A 64 -0.946 -8.202 11.515 1.00 0.00 C ATOM 0 H MET A 64 -2.597 -2.433 11.175 1.00 0.00 H new ATOM 0 HA MET A 64 0.128 -3.410 11.581 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.473 -4.307 9.157 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.077 -4.908 9.711 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.215 -5.650 11.875 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.667 -5.408 10.924 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.762 -9.232 11.209 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.050 -7.798 11.987 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.773 -8.176 12.225 1.00 0.00 H new ATOM 1001 N ASP A 65 0.795 -1.512 10.198 1.00 0.00 N ATOM 1002 CA ASP A 65 1.239 -0.383 9.400 1.00 0.00 C ATOM 1003 C ASP A 65 2.542 -0.749 8.687 1.00 0.00 C ATOM 1004 O ASP A 65 3.113 -1.809 8.936 1.00 0.00 O ATOM 1005 CB ASP A 65 1.509 0.840 10.279 1.00 0.00 C ATOM 1006 CG ASP A 65 1.596 2.170 9.528 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.661 2.442 8.745 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.598 2.884 9.754 1.00 0.00 O ATOM 0 H ASP A 65 1.445 -1.798 10.931 1.00 0.00 H new ATOM 0 HA ASP A 65 0.452 -0.146 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.719 0.913 11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.443 0.682 10.818 1.00 0.00 H new ATOM 1013 N GLY A 66 2.974 0.150 7.814 1.00 0.00 N ATOM 1014 CA GLY A 66 4.199 -0.064 7.063 1.00 0.00 C ATOM 1015 C GLY A 66 5.153 -0.988 7.823 1.00 0.00 C ATOM 1016 O GLY A 66 5.824 -1.825 7.221 1.00 0.00 O ATOM 0 H GLY A 66 2.497 1.028 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.963 -0.498 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.686 0.893 6.875 1.00 0.00 H new ATOM 1020 N LEU A 67 5.184 -0.806 9.135 1.00 0.00 N ATOM 1021 CA LEU A 67 6.044 -1.612 9.983 1.00 0.00 C ATOM 1022 C LEU A 67 5.478 -3.030 10.075 1.00 0.00 C ATOM 1023 O LEU A 67 6.111 -3.985 9.626 1.00 0.00 O ATOM 1024 CB LEU A 67 6.239 -0.939 11.343 1.00 0.00 C ATOM 1025 CG LEU A 67 6.868 0.456 11.316 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.260 0.419 10.683 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.948 1.459 10.617 1.00 0.00 C ATOM 0 H LEU A 67 4.626 -0.111 9.632 1.00 0.00 H new ATOM 0 HA LEU A 67 7.040 -1.693 9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.268 -0.869 11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.863 -1.586 11.960 1.00 0.00 H new ATOM 0 HG LEU A 67 6.991 0.794 12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.684 1.423 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.905 -0.243 11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.185 0.051 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.419 2.442 10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.770 1.136 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.999 1.514 11.150 1.00 0.00 H new ATOM 1039 N GLY A 68 4.293 -3.124 10.659 1.00 0.00 N ATOM 1040 CA GLY A 68 3.635 -4.409 10.816 1.00 0.00 C ATOM 1041 C GLY A 68 3.378 -5.064 9.457 1.00 0.00 C ATOM 1042 O GLY A 68 3.571 -6.267 9.297 1.00 0.00 O ATOM 0 H GLY A 68 3.771 -2.330 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.253 -5.065 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.691 -4.276 11.344 1.00 0.00 H new ATOM 1046 N LEU A 69 2.946 -4.241 8.512 1.00 0.00 N ATOM 1047 CA LEU A 69 2.661 -4.723 7.172 1.00 0.00 C ATOM 1048 C LEU A 69 3.903 -5.419 6.611 1.00 0.00 C ATOM 1049 O LEU A 69 3.810 -6.520 6.070 1.00 0.00 O ATOM 1050 CB LEU A 69 2.144 -3.585 6.291 1.00 0.00 C ATOM 1051 CG LEU A 69 0.689 -3.702 5.828 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.265 -3.726 7.023 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.338 -2.593 4.836 1.00 0.00 C ATOM 0 H LEU A 69 2.787 -3.243 8.649 1.00 0.00 H new ATOM 0 HA LEU A 69 1.862 -5.464 7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.256 -2.649 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.781 -3.517 5.409 1.00 0.00 H new ATOM 0 HG LEU A 69 0.572 -4.650 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.292 -3.810 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.031 -4.580 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.153 -2.806 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.701 -2.700 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.476 -1.622 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.988 -2.665 3.964 1.00 0.00 H new ATOM 1065 N LEU A 70 5.036 -4.748 6.758 1.00 0.00 N ATOM 1066 CA LEU A 70 6.294 -5.289 6.273 1.00 0.00 C ATOM 1067 C LEU A 70 6.542 -6.653 6.919 1.00 0.00 C ATOM 1068 O LEU A 70 6.481 -7.682 6.249 1.00 0.00 O ATOM 1069 CB LEU A 70 7.428 -4.287 6.495 1.00 0.00 C ATOM 1070 CG LEU A 70 8.788 -4.672 5.908 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.868 -3.672 6.324 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.161 -6.108 6.281 1.00 0.00 C ATOM 0 H LEU A 70 5.109 -3.835 7.206 1.00 0.00 H new ATOM 0 HA LEU A 70 6.249 -5.451 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.129 -3.329 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.547 -4.135 7.568 1.00 0.00 H new ATOM 0 HG LEU A 70 8.714 -4.632 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.824 -3.969 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.601 -2.678 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.949 -3.655 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.132 -6.355 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.210 -6.201 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.407 -6.792 5.892 1.00 0.00 H new ATOM 1084 N GLN A 71 6.816 -6.617 8.215 1.00 0.00 N ATOM 1085 CA GLN A 71 7.074 -7.837 8.960 1.00 0.00 C ATOM 1086 C GLN A 71 6.076 -8.925 8.557 1.00 0.00 C ATOM 1087 O GLN A 71 6.405 -10.111 8.573 1.00 0.00 O ATOM 1088 CB GLN A 71 7.025 -7.581 10.467 1.00 0.00 C ATOM 1089 CG GLN A 71 7.957 -6.431 10.858 1.00 0.00 C ATOM 1090 CD GLN A 71 8.566 -6.665 12.242 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.117 -7.714 12.538 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.435 -5.634 13.072 1.00 0.00 N ATOM 0 H GLN A 71 6.865 -5.761 8.768 1.00 0.00 H new ATOM 0 HA GLN A 71 8.079 -8.182 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.004 -7.344 10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.313 -8.486 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.752 -6.335 10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.403 -5.492 10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.963 -4.785 12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.807 -5.692 14.020 1.00 0.00 H new ATOM 1101 N ALA A 72 4.878 -8.484 8.204 1.00 0.00 N ATOM 1102 CA ALA A 72 3.831 -9.405 7.797 1.00 0.00 C ATOM 1103 C ALA A 72 4.248 -10.104 6.501 1.00 0.00 C ATOM 1104 O ALA A 72 4.179 -11.328 6.402 1.00 0.00 O ATOM 1105 CB ALA A 72 2.511 -8.646 7.652 1.00 0.00 C ATOM 0 H ALA A 72 4.609 -7.500 8.191 1.00 0.00 H new ATOM 0 HA ALA A 72 3.682 -10.175 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.725 -9.337 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.245 -8.193 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.621 -7.866 6.899 1.00 0.00 H new ATOM 1111 N VAL A 73 4.670 -9.295 5.540 1.00 0.00 N ATOM 1112 CA VAL A 73 5.099 -9.821 4.255 1.00 0.00 C ATOM 1113 C VAL A 73 6.260 -10.794 4.468 1.00 0.00 C ATOM 1114 O VAL A 73 6.231 -11.919 3.972 1.00 0.00 O ATOM 1115 CB VAL A 73 5.447 -8.670 3.309 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.591 -7.437 3.606 1.00 0.00 C ATOM 1117 CG2 VAL A 73 6.938 -8.334 3.382 1.00 0.00 C ATOM 0 H VAL A 73 4.724 -8.280 5.625 1.00 0.00 H new ATOM 0 HA VAL A 73 4.292 -10.380 3.782 1.00 0.00 H new ATOM 0 HB VAL A 73 5.225 -8.993 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.859 -6.634 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.537 -7.686 3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.766 -7.111 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.160 -7.513 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.195 -8.040 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.523 -9.209 3.098 1.00 0.00 H new ATOM 1127 N ARG A 74 7.256 -10.324 5.205 1.00 0.00 N ATOM 1128 CA ARG A 74 8.425 -11.138 5.489 1.00 0.00 C ATOM 1129 C ARG A 74 8.015 -12.594 5.721 1.00 0.00 C ATOM 1130 O ARG A 74 8.782 -13.512 5.434 1.00 0.00 O ATOM 1131 CB ARG A 74 9.169 -10.622 6.722 1.00 0.00 C ATOM 1132 CG ARG A 74 9.559 -9.152 6.552 1.00 0.00 C ATOM 1133 CD ARG A 74 9.955 -8.855 5.104 1.00 0.00 C ATOM 1134 NE ARG A 74 11.088 -9.719 4.701 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.855 -9.499 3.625 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.615 -8.442 2.837 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.860 -10.336 3.336 1.00 0.00 N ATOM 0 H ARG A 74 7.277 -9.390 5.614 1.00 0.00 H new ATOM 0 HA ARG A 74 9.089 -11.077 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.540 -10.735 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.063 -11.222 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.724 -8.514 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.389 -8.913 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.105 -9.025 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.233 -7.806 5.002 1.00 0.00 H new ATOM 0 HE ARG A 74 11.298 -10.533 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.849 -7.806 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.199 -8.274 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.041 -11.141 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.444 -10.168 2.517 1.00 0.00 H new ATOM 1151 N ALA A 75 6.806 -12.759 6.239 1.00 0.00 N ATOM 1152 CA ALA A 75 6.285 -14.087 6.513 1.00 0.00 C ATOM 1153 C ALA A 75 5.576 -14.620 5.267 1.00 0.00 C ATOM 1154 O ALA A 75 5.816 -15.749 4.846 1.00 0.00 O ATOM 1155 CB ALA A 75 5.361 -14.031 7.732 1.00 0.00 C ATOM 0 H ALA A 75 6.173 -11.995 6.476 1.00 0.00 H new ATOM 0 HA ALA A 75 7.096 -14.776 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.970 -15.027 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.921 -13.675 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.533 -13.351 7.530 1.00 0.00 H new ATOM 1161 N ASN A 76 4.714 -13.779 4.711 1.00 0.00 N ATOM 1162 CA ASN A 76 3.967 -14.151 3.522 1.00 0.00 C ATOM 1163 C ASN A 76 4.802 -13.832 2.280 1.00 0.00 C ATOM 1164 O ASN A 76 5.141 -12.675 2.036 1.00 0.00 O ATOM 1165 CB ASN A 76 2.658 -13.366 3.425 1.00 0.00 C ATOM 1166 CG ASN A 76 1.495 -14.162 4.023 1.00 0.00 C ATOM 1167 OD1 ASN A 76 1.668 -15.224 4.597 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.306 -13.590 3.858 1.00 0.00 N ATOM 0 H ASN A 76 4.517 -12.842 5.063 1.00 0.00 H new ATOM 0 HA ASN A 76 3.745 -15.216 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.760 -12.416 3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.446 -13.134 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.532 -14.042 4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.232 -12.699 3.367 1.00 0.00 H new ATOM 1175 N PRO A 77 5.119 -14.906 1.509 1.00 0.00 N ATOM 1176 CA PRO A 77 5.909 -14.752 0.298 1.00 0.00 C ATOM 1177 C PRO A 77 5.071 -14.146 -0.829 1.00 0.00 C ATOM 1178 O PRO A 77 5.610 -13.724 -1.850 1.00 0.00 O ATOM 1179 CB PRO A 77 6.413 -16.149 -0.023 1.00 0.00 C ATOM 1180 CG PRO A 77 5.515 -17.104 0.746 1.00 0.00 C ATOM 1181 CD PRO A 77 4.735 -16.291 1.766 1.00 0.00 C ATOM 0 HA PRO A 77 6.743 -14.061 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.365 -16.345 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.455 -16.266 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.835 -17.618 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.110 -17.871 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.661 -16.433 1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.985 -16.589 2.784 1.00 0.00 H new ATOM 1189 N ALA A 78 3.765 -14.121 -0.605 1.00 0.00 N ATOM 1190 CA ALA A 78 2.847 -13.573 -1.590 1.00 0.00 C ATOM 1191 C ALA A 78 2.984 -12.048 -1.616 1.00 0.00 C ATOM 1192 O ALA A 78 3.101 -11.451 -2.684 1.00 0.00 O ATOM 1193 CB ALA A 78 1.422 -14.025 -1.266 1.00 0.00 C ATOM 0 H ALA A 78 3.321 -14.471 0.244 1.00 0.00 H new ATOM 0 HA ALA A 78 3.088 -13.943 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.733 -13.614 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.372 -15.114 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.144 -13.670 -0.274 1.00 0.00 H new ATOM 1199 N THR A 79 2.965 -11.465 -0.426 1.00 0.00 N ATOM 1200 CA THR A 79 3.085 -10.022 -0.299 1.00 0.00 C ATOM 1201 C THR A 79 4.559 -9.611 -0.269 1.00 0.00 C ATOM 1202 O THR A 79 4.885 -8.444 -0.482 1.00 0.00 O ATOM 1203 CB THR A 79 2.309 -9.591 0.947 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.949 -8.385 1.355 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.517 -10.543 2.126 1.00 0.00 C ATOM 0 H THR A 79 2.868 -11.965 0.458 1.00 0.00 H new ATOM 0 HA THR A 79 2.654 -9.512 -1.160 1.00 0.00 H new ATOM 0 HB THR A 79 1.246 -9.535 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.284 -7.776 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.944 -10.190 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.180 -11.542 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.575 -10.576 2.385 1.00 0.00 H new ATOM 1213 N LYS A 80 5.409 -10.591 -0.003 1.00 0.00 N ATOM 1214 CA LYS A 80 6.839 -10.346 0.058 1.00 0.00 C ATOM 1215 C LYS A 80 7.275 -9.580 -1.192 1.00 0.00 C ATOM 1216 O LYS A 80 8.231 -8.807 -1.150 1.00 0.00 O ATOM 1217 CB LYS A 80 7.599 -11.657 0.272 1.00 0.00 C ATOM 1218 CG LYS A 80 7.877 -11.893 1.758 1.00 0.00 C ATOM 1219 CD LYS A 80 9.380 -11.970 2.030 1.00 0.00 C ATOM 1220 CE LYS A 80 9.769 -13.343 2.581 1.00 0.00 C ATOM 1221 NZ LYS A 80 10.234 -14.228 1.490 1.00 0.00 N ATOM 0 H LYS A 80 5.134 -11.557 0.173 1.00 0.00 H new ATOM 0 HA LYS A 80 7.081 -9.720 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.019 -12.488 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.540 -11.630 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.438 -11.087 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.398 -12.818 2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.930 -11.775 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.664 -11.195 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.556 -13.232 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.914 -13.795 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.494 -15.155 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.472 -14.348 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.063 -13.803 1.028 1.00 0.00 H new ATOM 1235 N LYS A 81 6.552 -9.821 -2.277 1.00 0.00 N ATOM 1236 CA LYS A 81 6.851 -9.164 -3.537 1.00 0.00 C ATOM 1237 C LYS A 81 5.836 -8.044 -3.777 1.00 0.00 C ATOM 1238 O LYS A 81 5.993 -7.247 -4.702 1.00 0.00 O ATOM 1239 CB LYS A 81 6.917 -10.187 -4.673 1.00 0.00 C ATOM 1240 CG LYS A 81 5.696 -10.071 -5.587 1.00 0.00 C ATOM 1241 CD LYS A 81 4.431 -10.559 -4.878 1.00 0.00 C ATOM 1242 CE LYS A 81 4.407 -12.087 -4.791 1.00 0.00 C ATOM 1243 NZ LYS A 81 4.990 -12.685 -6.012 1.00 0.00 N ATOM 0 H LYS A 81 5.760 -10.463 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 81 7.836 -8.700 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.826 -10.033 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.971 -11.194 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.566 -9.034 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.858 -10.656 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.384 -10.133 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.550 -10.208 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.966 -12.416 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.382 -12.434 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.728 -13.690 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.627 -12.187 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.026 -12.599 -5.980 1.00 0.00 H new ATOM 1257 N ALA A 82 4.820 -8.018 -2.927 1.00 0.00 N ATOM 1258 CA ALA A 82 3.781 -7.008 -3.034 1.00 0.00 C ATOM 1259 C ALA A 82 4.257 -5.718 -2.363 1.00 0.00 C ATOM 1260 O ALA A 82 4.961 -5.763 -1.355 1.00 0.00 O ATOM 1261 CB ALA A 82 2.485 -7.542 -2.420 1.00 0.00 C ATOM 0 H ALA A 82 4.694 -8.680 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 82 3.576 -6.778 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.705 -6.785 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.174 -8.441 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.652 -7.782 -1.370 1.00 0.00 H new ATOM 1267 N ALA A 83 3.853 -4.600 -2.948 1.00 0.00 N ATOM 1268 CA ALA A 83 4.229 -3.301 -2.420 1.00 0.00 C ATOM 1269 C ALA A 83 3.146 -2.815 -1.454 1.00 0.00 C ATOM 1270 O ALA A 83 2.088 -3.431 -1.342 1.00 0.00 O ATOM 1271 CB ALA A 83 4.461 -2.326 -3.576 1.00 0.00 C ATOM 0 H ALA A 83 3.268 -4.568 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 83 5.162 -3.370 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.743 -1.351 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.260 -2.703 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.545 -2.229 -4.159 1.00 0.00 H new ATOM 1277 N PHE A 84 3.448 -1.714 -0.783 1.00 0.00 N ATOM 1278 CA PHE A 84 2.513 -1.137 0.169 1.00 0.00 C ATOM 1279 C PHE A 84 2.686 0.380 0.258 1.00 0.00 C ATOM 1280 O PHE A 84 3.808 0.876 0.346 1.00 0.00 O ATOM 1281 CB PHE A 84 2.825 -1.755 1.533 1.00 0.00 C ATOM 1282 CG PHE A 84 3.731 -2.987 1.465 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.226 -4.181 1.059 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.043 -2.885 1.812 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.067 -5.324 0.996 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.884 -4.028 1.750 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.378 -5.223 1.343 1.00 0.00 C ATOM 0 H PHE A 84 4.327 -1.206 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 84 1.489 -1.341 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.300 -1.002 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.889 -2.031 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.185 -4.261 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.444 -1.936 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.665 -6.273 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.925 -3.948 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.018 -6.092 1.295 1.00 0.00 H new ATOM 1297 N ILE A 85 1.559 1.075 0.233 1.00 0.00 N ATOM 1298 CA ILE A 85 1.571 2.526 0.309 1.00 0.00 C ATOM 1299 C ILE A 85 1.011 2.966 1.663 1.00 0.00 C ATOM 1300 O ILE A 85 -0.061 2.520 2.070 1.00 0.00 O ATOM 1301 CB ILE A 85 0.835 3.132 -0.887 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.328 2.521 -2.201 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.952 4.658 -0.887 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.817 3.319 -3.402 1.00 0.00 C ATOM 0 H ILE A 85 0.630 0.660 0.161 1.00 0.00 H new ATOM 0 HA ILE A 85 2.592 2.902 0.248 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.224 2.889 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.418 2.501 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.989 1.488 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.420 5.064 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.517 5.056 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.003 4.942 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.182 2.864 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.273 3.317 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.178 4.345 -3.337 1.00 0.00 H new ATOM 1316 N ILE A 86 1.761 3.836 2.323 1.00 0.00 N ATOM 1317 CA ILE A 86 1.353 4.341 3.623 1.00 0.00 C ATOM 1318 C ILE A 86 1.338 5.870 3.590 1.00 0.00 C ATOM 1319 O ILE A 86 2.392 6.505 3.599 1.00 0.00 O ATOM 1320 CB ILE A 86 2.238 3.758 4.727 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.949 2.491 4.248 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.433 3.515 6.005 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.942 1.375 3.959 1.00 0.00 C ATOM 0 H ILE A 86 2.649 4.204 1.982 1.00 0.00 H new ATOM 0 HA ILE A 86 0.339 4.017 3.856 1.00 0.00 H new ATOM 0 HB ILE A 86 3.010 4.489 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.523 2.710 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.658 2.159 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.086 3.101 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.013 4.458 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.625 2.813 5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.472 0.485 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.386 1.142 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.249 1.702 3.184 1.00 0.00 H new ATOM 1335 N LEU A 87 0.133 6.419 3.551 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.032 7.862 3.516 1.00 0.00 C ATOM 1337 C LEU A 87 -1.050 8.280 4.579 1.00 0.00 C ATOM 1338 O LEU A 87 -1.807 7.451 5.080 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.393 8.326 2.104 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.887 8.462 1.803 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.617 7.140 2.046 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.504 9.613 2.600 1.00 0.00 C ATOM 0 H LEU A 87 -0.739 5.890 3.543 1.00 0.00 H new ATOM 0 HA LEU A 87 0.907 8.359 3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.082 9.291 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.038 7.623 1.391 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.003 8.704 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.677 7.264 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.199 6.369 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.496 6.844 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.566 9.688 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.378 9.426 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.008 10.546 2.335 1.00 0.00 H new ATOM 1354 N THR A 88 -1.034 9.568 4.893 1.00 0.00 N ATOM 1355 CA THR A 88 -1.945 10.106 5.888 1.00 0.00 C ATOM 1356 C THR A 88 -2.459 11.480 5.452 1.00 0.00 C ATOM 1357 O THR A 88 -2.018 12.019 4.438 1.00 0.00 O ATOM 1358 CB THR A 88 -1.218 10.129 7.234 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.940 11.088 8.002 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.190 10.721 7.128 1.00 0.00 C ATOM 0 H THR A 88 -0.405 10.254 4.476 1.00 0.00 H new ATOM 0 HA THR A 88 -2.831 9.479 5.992 1.00 0.00 H new ATOM 0 HB THR A 88 -1.158 9.116 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.537 11.165 8.892 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.662 10.714 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.784 10.125 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.127 11.746 6.763 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.386 12.007 6.239 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.965 13.308 5.947 1.00 0.00 C ATOM 1370 C ALA A 89 -2.863 14.369 5.970 1.00 0.00 C ATOM 1371 O ALA A 89 -3.072 15.495 5.521 1.00 0.00 O ATOM 1372 CB ALA A 89 -5.082 13.605 6.948 1.00 0.00 C ATOM 0 H ALA A 89 -3.750 11.557 7.079 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.409 13.316 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.516 14.580 6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.853 12.839 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.674 13.608 7.959 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.714 13.970 6.495 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.579 14.874 6.583 1.00 0.00 C ATOM 1380 C GLN A 90 0.558 14.386 5.682 1.00 0.00 C ATOM 1381 O GLN A 90 0.664 14.801 4.529 1.00 0.00 O ATOM 1382 CB GLN A 90 -0.105 15.022 8.030 1.00 0.00 C ATOM 1383 CG GLN A 90 -1.048 15.930 8.823 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.293 17.129 9.404 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.517 17.762 8.748 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.605 17.403 10.667 1.00 0.00 N ATOM 0 H GLN A 90 -1.544 13.034 6.863 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.896 15.858 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.055 14.041 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.903 15.435 8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.852 16.280 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.513 15.363 9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.293 16.832 11.158 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.157 18.185 11.145 1.00 0.00 H new ATOM 1395 N GLY A 91 1.380 13.510 6.242 1.00 0.00 N ATOM 1396 CA GLY A 91 2.505 12.960 5.504 1.00 0.00 C ATOM 1397 C GLY A 91 3.640 12.564 6.450 1.00 0.00 C ATOM 1398 O GLY A 91 4.006 13.328 7.342 1.00 0.00 O ATOM 0 H GLY A 91 1.289 13.167 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.180 12.089 4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.866 13.694 4.784 1.00 0.00 H new ATOM 1402 N ASP A 92 4.166 11.369 6.224 1.00 0.00 N ATOM 1403 CA ASP A 92 5.252 10.862 7.045 1.00 0.00 C ATOM 1404 C ASP A 92 6.247 10.111 6.159 1.00 0.00 C ATOM 1405 O ASP A 92 6.250 8.881 6.125 1.00 0.00 O ATOM 1406 CB ASP A 92 4.733 9.887 8.104 1.00 0.00 C ATOM 1407 CG ASP A 92 3.794 10.502 9.144 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.174 11.556 9.699 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.717 9.906 9.360 1.00 0.00 O ATOM 0 H ASP A 92 3.860 10.737 5.484 1.00 0.00 H new ATOM 0 HA ASP A 92 5.727 11.710 7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.211 9.073 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.586 9.448 8.621 1.00 0.00 H new ATOM 1414 N ARG A 93 7.070 10.882 5.463 1.00 0.00 N ATOM 1415 CA ARG A 93 8.068 10.304 4.578 1.00 0.00 C ATOM 1416 C ARG A 93 8.969 9.340 5.353 1.00 0.00 C ATOM 1417 O ARG A 93 9.420 8.333 4.808 1.00 0.00 O ATOM 1418 CB ARG A 93 8.930 11.393 3.937 1.00 0.00 C ATOM 1419 CG ARG A 93 8.334 11.852 2.605 1.00 0.00 C ATOM 1420 CD ARG A 93 9.093 13.059 2.050 1.00 0.00 C ATOM 1421 NE ARG A 93 8.555 14.308 2.632 1.00 0.00 N ATOM 1422 CZ ARG A 93 9.013 14.869 3.760 1.00 0.00 C ATOM 1423 NH1 ARG A 93 10.020 14.296 4.433 1.00 0.00 N ATOM 1424 NH2 ARG A 93 8.463 16.004 4.214 1.00 0.00 N ATOM 0 H ARG A 93 7.066 11.902 5.494 1.00 0.00 H new ATOM 0 HA ARG A 93 7.542 9.762 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.012 12.243 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.940 11.015 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.370 11.034 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.284 12.110 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.154 12.969 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.004 13.087 0.964 1.00 0.00 H new ATOM 0 HE ARG A 93 7.788 14.771 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.438 13.433 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.368 14.723 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.697 16.440 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.811 16.432 5.072 1.00 0.00 H new ATOM 1438 N ALA A 94 9.205 9.682 6.611 1.00 0.00 N ATOM 1439 CA ALA A 94 10.044 8.859 7.465 1.00 0.00 C ATOM 1440 C ALA A 94 9.344 7.524 7.726 1.00 0.00 C ATOM 1441 O ALA A 94 9.993 6.480 7.784 1.00 0.00 O ATOM 1442 CB ALA A 94 10.354 9.616 8.758 1.00 0.00 C ATOM 0 H ALA A 94 8.830 10.518 7.059 1.00 0.00 H new ATOM 0 HA ALA A 94 10.994 8.644 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.983 8.999 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.876 10.543 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.423 9.846 9.277 1.00 0.00 H new ATOM 1448 N LEU A 95 8.030 7.599 7.875 1.00 0.00 N ATOM 1449 CA LEU A 95 7.235 6.410 8.128 1.00 0.00 C ATOM 1450 C LEU A 95 7.391 5.439 6.955 1.00 0.00 C ATOM 1451 O LEU A 95 7.673 4.259 7.155 1.00 0.00 O ATOM 1452 CB LEU A 95 5.783 6.788 8.424 1.00 0.00 C ATOM 1453 CG LEU A 95 5.503 7.327 9.828 1.00 0.00 C ATOM 1454 CD1 LEU A 95 4.982 6.220 10.747 1.00 0.00 C ATOM 1455 CD2 LEU A 95 6.740 8.017 10.407 1.00 0.00 C ATOM 0 H LEU A 95 7.495 8.466 7.825 1.00 0.00 H new ATOM 0 HA LEU A 95 7.593 5.895 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.469 7.539 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.159 5.909 8.263 1.00 0.00 H new ATOM 0 HG LEU A 95 4.718 8.080 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.791 6.630 11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.057 5.813 10.338 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.726 5.427 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.514 8.391 11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.562 7.303 10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.027 8.849 9.764 1.00 0.00 H new ATOM 1467 N VAL A 96 7.200 5.973 5.758 1.00 0.00 N ATOM 1468 CA VAL A 96 7.316 5.169 4.553 1.00 0.00 C ATOM 1469 C VAL A 96 8.767 4.714 4.386 1.00 0.00 C ATOM 1470 O VAL A 96 9.046 3.517 4.353 1.00 0.00 O ATOM 1471 CB VAL A 96 6.792 5.953 3.348 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.687 5.742 2.125 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.342 5.578 3.037 1.00 0.00 C ATOM 0 H VAL A 96 6.966 6.952 5.596 1.00 0.00 H new ATOM 0 HA VAL A 96 6.702 4.272 4.632 1.00 0.00 H new ATOM 0 HB VAL A 96 6.816 7.013 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.292 6.310 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.698 6.083 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.710 4.683 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.995 6.150 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.282 4.513 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.715 5.804 3.899 1.00 0.00 H new ATOM 1483 N GLN A 97 9.653 5.694 4.285 1.00 0.00 N ATOM 1484 CA GLN A 97 11.068 5.410 4.122 1.00 0.00 C ATOM 1485 C GLN A 97 11.529 4.395 5.169 1.00 0.00 C ATOM 1486 O GLN A 97 12.436 3.603 4.915 1.00 0.00 O ATOM 1487 CB GLN A 97 11.898 6.693 4.200 1.00 0.00 C ATOM 1488 CG GLN A 97 11.604 7.609 3.010 1.00 0.00 C ATOM 1489 CD GLN A 97 12.890 7.965 2.261 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.291 9.114 2.174 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.510 6.917 1.725 1.00 0.00 N ATOM 0 H GLN A 97 9.418 6.686 4.313 1.00 0.00 H new ATOM 0 HA GLN A 97 11.220 4.978 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.678 7.217 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.959 6.444 4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.908 7.117 2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.118 8.520 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.119 5.981 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.376 7.049 1.203 1.00 0.00 H new ATOM 1500 N LYS A 98 10.884 4.450 6.325 1.00 0.00 N ATOM 1501 CA LYS A 98 11.217 3.545 7.412 1.00 0.00 C ATOM 1502 C LYS A 98 10.843 2.116 7.013 1.00 0.00 C ATOM 1503 O LYS A 98 11.655 1.200 7.134 1.00 0.00 O ATOM 1504 CB LYS A 98 10.565 4.010 8.716 1.00 0.00 C ATOM 1505 CG LYS A 98 11.445 5.038 9.432 1.00 0.00 C ATOM 1506 CD LYS A 98 10.630 5.844 10.445 1.00 0.00 C ATOM 1507 CE LYS A 98 11.417 6.050 11.741 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.726 7.484 11.939 1.00 0.00 N ATOM 0 H LYS A 98 10.132 5.107 6.533 1.00 0.00 H new ATOM 0 HA LYS A 98 12.291 3.554 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.589 4.446 8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.396 3.153 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.264 4.530 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.892 5.712 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.366 6.811 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.696 5.325 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.840 5.676 12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.342 5.474 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.260 7.605 12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.295 7.830 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.840 8.026 11.993 1.00 0.00 H new ATOM 1522 N ALA A 99 9.611 1.970 6.546 1.00 0.00 N ATOM 1523 CA ALA A 99 9.118 0.668 6.129 1.00 0.00 C ATOM 1524 C ALA A 99 10.095 0.057 5.121 1.00 0.00 C ATOM 1525 O ALA A 99 10.513 -1.090 5.274 1.00 0.00 O ATOM 1526 CB ALA A 99 7.707 0.815 5.558 1.00 0.00 C ATOM 0 H ALA A 99 8.940 2.732 6.447 1.00 0.00 H new ATOM 0 HA ALA A 99 9.055 -0.010 6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.337 -0.162 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.046 1.225 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.730 1.486 4.699 1.00 0.00 H new ATOM 1532 N ALA A 100 10.428 0.850 4.114 1.00 0.00 N ATOM 1533 CA ALA A 100 11.348 0.402 3.082 1.00 0.00 C ATOM 1534 C ALA A 100 12.637 -0.100 3.736 1.00 0.00 C ATOM 1535 O ALA A 100 13.170 -1.137 3.345 1.00 0.00 O ATOM 1536 CB ALA A 100 11.601 1.543 2.094 1.00 0.00 C ATOM 0 H ALA A 100 10.078 1.800 3.990 1.00 0.00 H new ATOM 0 HA ALA A 100 10.920 -0.428 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.291 1.208 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.659 1.843 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.034 2.393 2.622 1.00 0.00 H new ATOM 1542 N ALA A 101 13.098 0.658 4.719 1.00 0.00 N ATOM 1543 CA ALA A 101 14.314 0.303 5.429 1.00 0.00 C ATOM 1544 C ALA A 101 14.065 -0.960 6.257 1.00 0.00 C ATOM 1545 O ALA A 101 14.855 -1.903 6.210 1.00 0.00 O ATOM 1546 CB ALA A 101 14.766 1.484 6.292 1.00 0.00 C ATOM 0 H ALA A 101 12.651 1.517 5.041 1.00 0.00 H new ATOM 0 HA ALA A 101 15.118 0.085 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.679 1.217 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.957 2.348 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.985 1.729 7.011 1.00 0.00 H new ATOM 1552 N LEU A 102 12.966 -0.939 6.995 1.00 0.00 N ATOM 1553 CA LEU A 102 12.603 -2.070 7.831 1.00 0.00 C ATOM 1554 C LEU A 102 12.901 -3.370 7.080 1.00 0.00 C ATOM 1555 O LEU A 102 13.470 -4.302 7.647 1.00 0.00 O ATOM 1556 CB LEU A 102 11.151 -1.949 8.297 1.00 0.00 C ATOM 1557 CG LEU A 102 10.927 -1.192 9.607 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.520 -1.958 10.791 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.474 0.235 9.517 1.00 0.00 C ATOM 0 H LEU A 102 12.314 -0.155 7.032 1.00 0.00 H new ATOM 0 HA LEU A 102 13.205 -2.080 8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.579 -1.454 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.741 -2.953 8.406 1.00 0.00 H new ATOM 0 HG LEU A 102 9.853 -1.115 9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.347 -1.398 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.044 -2.936 10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.592 -2.087 10.641 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.302 0.751 10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.544 0.202 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.966 0.769 8.714 1.00 0.00 H new ATOM 1571 N GLY A 103 12.504 -3.391 5.817 1.00 0.00 N ATOM 1572 CA GLY A 103 12.723 -4.560 4.983 1.00 0.00 C ATOM 1573 C GLY A 103 11.480 -4.878 4.148 1.00 0.00 C ATOM 1574 O GLY A 103 11.058 -6.031 4.070 1.00 0.00 O ATOM 0 H GLY A 103 12.032 -2.617 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.574 -4.387 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.974 -5.416 5.609 1.00 0.00 H new ATOM 1578 N ALA A 104 10.930 -3.835 3.544 1.00 0.00 N ATOM 1579 CA ALA A 104 9.744 -3.987 2.718 1.00 0.00 C ATOM 1580 C ALA A 104 10.162 -4.122 1.252 1.00 0.00 C ATOM 1581 O ALA A 104 11.251 -3.695 0.873 1.00 0.00 O ATOM 1582 CB ALA A 104 8.803 -2.803 2.950 1.00 0.00 C ATOM 0 H ALA A 104 11.284 -2.881 3.610 1.00 0.00 H new ATOM 0 HA ALA A 104 9.201 -4.892 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.914 -2.918 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.512 -2.770 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.312 -1.876 2.686 1.00 0.00 H new ATOM 1588 N ASN A 105 9.274 -4.715 0.469 1.00 0.00 N ATOM 1589 CA ASN A 105 9.538 -4.912 -0.946 1.00 0.00 C ATOM 1590 C ASN A 105 9.478 -3.561 -1.663 1.00 0.00 C ATOM 1591 O ASN A 105 10.385 -3.214 -2.419 1.00 0.00 O ATOM 1592 CB ASN A 105 8.491 -5.830 -1.580 1.00 0.00 C ATOM 1593 CG ASN A 105 9.001 -6.413 -2.900 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.283 -6.057 -3.961 1.00 0.00 O flip ATOM 1595 ND2 ASN A 105 9.980 -7.139 -2.950 1.00 0.00 N flip ATOM 0 H ASN A 105 8.371 -5.066 0.787 1.00 0.00 H new ATOM 0 HA ASN A 105 10.523 -5.367 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.246 -6.639 -0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.571 -5.272 -1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.486 -7.373 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.293 -7.512 -3.846 1.00 0.00 H new ATOM 1602 N ASN A 106 8.401 -2.834 -1.400 1.00 0.00 N ATOM 1603 CA ASN A 106 8.211 -1.530 -2.011 1.00 0.00 C ATOM 1604 C ASN A 106 7.110 -0.777 -1.262 1.00 0.00 C ATOM 1605 O ASN A 106 5.954 -1.199 -1.262 1.00 0.00 O ATOM 1606 CB ASN A 106 7.783 -1.663 -3.474 1.00 0.00 C ATOM 1607 CG ASN A 106 8.889 -1.183 -4.414 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.815 -0.123 -5.013 1.00 0.00 O ATOM 1609 ND2 ASN A 106 9.918 -2.021 -4.512 1.00 0.00 N ATOM 0 H ASN A 106 7.651 -3.124 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 106 9.158 -0.993 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.541 -2.703 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.877 -1.082 -3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.707 -1.791 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.918 -2.893 -3.983 1.00 0.00 H new ATOM 1616 N VAL A 107 7.505 0.325 -0.642 1.00 0.00 N ATOM 1617 CA VAL A 107 6.566 1.141 0.108 1.00 0.00 C ATOM 1618 C VAL A 107 6.675 2.594 -0.356 1.00 0.00 C ATOM 1619 O VAL A 107 7.769 3.152 -0.410 1.00 0.00 O ATOM 1620 CB VAL A 107 6.810 0.973 1.609 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.238 1.378 1.981 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.786 1.765 2.423 1.00 0.00 C ATOM 0 H VAL A 107 8.464 0.672 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 107 5.543 0.816 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 107 6.687 -0.082 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.385 1.249 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.947 0.751 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.401 2.423 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.982 1.628 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.862 2.823 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.782 1.409 2.190 1.00 0.00 H new ATOM 1632 N LEU A 108 5.524 3.166 -0.680 1.00 0.00 N ATOM 1633 CA LEU A 108 5.476 4.544 -1.138 1.00 0.00 C ATOM 1634 C LEU A 108 4.519 5.339 -0.249 1.00 0.00 C ATOM 1635 O LEU A 108 3.511 4.809 0.216 1.00 0.00 O ATOM 1636 CB LEU A 108 5.123 4.602 -2.626 1.00 0.00 C ATOM 1637 CG LEU A 108 6.264 4.293 -3.598 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.579 4.904 -3.112 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.386 2.786 -3.838 1.00 0.00 C ATOM 0 H LEU A 108 4.618 2.700 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 108 6.457 5.010 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.311 3.899 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.741 5.598 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 108 6.030 4.755 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.373 4.669 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.471 5.986 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.832 4.493 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.204 2.593 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.586 2.282 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.455 2.408 -4.261 1.00 0.00 H new ATOM 1651 N ALA A 109 4.868 6.600 -0.037 1.00 0.00 N ATOM 1652 CA ALA A 109 4.052 7.474 0.789 1.00 0.00 C ATOM 1653 C ALA A 109 3.264 8.428 -0.110 1.00 0.00 C ATOM 1654 O ALA A 109 3.489 8.478 -1.318 1.00 0.00 O ATOM 1655 CB ALA A 109 4.946 8.215 1.785 1.00 0.00 C ATOM 0 H ALA A 109 5.705 7.037 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 109 3.331 6.895 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.335 8.871 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.461 7.493 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.680 8.810 1.242 1.00 0.00 H new ATOM 1661 N LYS A 110 2.356 9.163 0.514 1.00 0.00 N ATOM 1662 CA LYS A 110 1.533 10.115 -0.214 1.00 0.00 C ATOM 1663 C LYS A 110 1.453 11.422 0.575 1.00 0.00 C ATOM 1664 O LYS A 110 0.375 11.828 1.005 1.00 0.00 O ATOM 1665 CB LYS A 110 0.166 9.504 -0.533 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.255 9.826 -1.969 1.00 0.00 C ATOM 1667 CD LYS A 110 -0.432 11.332 -2.164 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.756 11.643 -2.866 1.00 0.00 C ATOM 1669 NZ LYS A 110 -2.897 11.377 -1.962 1.00 0.00 N ATOM 0 H LYS A 110 2.171 9.119 1.516 1.00 0.00 H new ATOM 0 HA LYS A 110 1.985 10.352 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.205 8.423 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.580 9.888 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.496 9.452 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.188 9.313 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.403 11.833 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.397 11.726 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.770 12.686 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.848 11.036 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.751 11.837 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.056 10.351 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.686 11.756 -1.017 1.00 0.00 H new ATOM 1683 N PRO A 111 2.640 12.064 0.746 1.00 0.00 N ATOM 1684 CA PRO A 111 2.715 13.318 1.475 1.00 0.00 C ATOM 1685 C PRO A 111 2.171 14.475 0.634 1.00 0.00 C ATOM 1686 O PRO A 111 1.430 14.257 -0.323 1.00 0.00 O ATOM 1687 CB PRO A 111 4.184 13.481 1.828 1.00 0.00 C ATOM 1688 CG PRO A 111 4.943 12.556 0.891 1.00 0.00 C ATOM 1689 CD PRO A 111 3.937 11.614 0.250 1.00 0.00 C ATOM 0 HA PRO A 111 2.100 13.318 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.504 14.515 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.367 13.218 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.467 13.132 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.698 11.993 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.984 11.665 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.130 10.578 0.530 1.00 0.00 H new ATOM 1697 N PHE A 112 2.560 15.681 1.021 1.00 0.00 N ATOM 1698 CA PHE A 112 2.121 16.872 0.314 1.00 0.00 C ATOM 1699 C PHE A 112 3.124 17.266 -0.771 1.00 0.00 C ATOM 1700 O PHE A 112 3.134 18.409 -1.227 1.00 0.00 O ATOM 1701 CB PHE A 112 2.035 17.999 1.347 1.00 0.00 C ATOM 1702 CG PHE A 112 0.623 18.247 1.881 1.00 0.00 C ATOM 1703 CD1 PHE A 112 0.065 17.373 2.761 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -0.074 19.342 1.476 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.245 17.603 3.258 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.385 19.572 1.972 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.942 18.698 2.852 1.00 0.00 C ATOM 0 H PHE A 112 3.175 15.859 1.815 1.00 0.00 H new ATOM 0 HA PHE A 112 1.161 16.687 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.692 17.762 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.409 18.919 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.619 16.503 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.369 20.037 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.687 16.909 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.939 20.441 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.939 18.873 3.229 1.00 0.00 H new ATOM 1717 N THR A 113 3.945 16.300 -1.153 1.00 0.00 N ATOM 1718 CA THR A 113 4.949 16.531 -2.177 1.00 0.00 C ATOM 1719 C THR A 113 4.743 15.575 -3.353 1.00 0.00 C ATOM 1720 O THR A 113 5.198 14.433 -3.316 1.00 0.00 O ATOM 1721 CB THR A 113 6.327 16.404 -1.525 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.219 16.238 -2.624 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.479 15.109 -0.723 1.00 0.00 C ATOM 0 H THR A 113 3.936 15.354 -0.771 1.00 0.00 H new ATOM 0 HA THR A 113 4.862 17.534 -2.596 1.00 0.00 H new ATOM 0 HB THR A 113 6.498 17.259 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.136 16.150 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.475 15.069 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.730 15.081 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.341 14.253 -1.384 1.00 0.00 H new ATOM 1731 N ILE A 114 4.057 16.077 -4.370 1.00 0.00 N ATOM 1732 CA ILE A 114 3.786 15.281 -5.554 1.00 0.00 C ATOM 1733 C ILE A 114 5.096 14.688 -6.077 1.00 0.00 C ATOM 1734 O ILE A 114 5.094 13.641 -6.723 1.00 0.00 O ATOM 1735 CB ILE A 114 3.028 16.109 -6.594 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.877 17.282 -7.086 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.675 16.570 -6.047 1.00 0.00 C ATOM 1738 CD1 ILE A 114 4.263 17.102 -8.556 1.00 0.00 C ATOM 0 H ILE A 114 3.681 17.025 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 114 3.133 14.444 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 114 2.827 15.473 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.323 18.213 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.778 17.364 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.157 17.156 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.072 15.700 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.831 17.182 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.866 17.950 -8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.837 16.183 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 114 3.361 17.045 -9.165 1.00 0.00 H new ATOM 1750 N GLU A 115 6.183 15.384 -5.779 1.00 0.00 N ATOM 1751 CA GLU A 115 7.498 14.939 -6.211 1.00 0.00 C ATOM 1752 C GLU A 115 7.853 13.608 -5.546 1.00 0.00 C ATOM 1753 O GLU A 115 8.412 12.720 -6.187 1.00 0.00 O ATOM 1754 CB GLU A 115 8.560 16.000 -5.916 1.00 0.00 C ATOM 1755 CG GLU A 115 9.522 16.156 -7.095 1.00 0.00 C ATOM 1756 CD GLU A 115 10.618 17.176 -6.777 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.271 18.373 -6.687 1.00 0.00 O ATOM 1758 OE2 GLU A 115 11.779 16.734 -6.631 1.00 0.00 O ATOM 0 H GLU A 115 6.181 16.252 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 115 7.473 14.788 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.077 16.955 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.118 15.723 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.974 15.192 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.970 16.474 -7.980 1.00 0.00 H new ATOM 1765 N LYS A 116 7.515 13.513 -4.268 1.00 0.00 N ATOM 1766 CA LYS A 116 7.791 12.305 -3.510 1.00 0.00 C ATOM 1767 C LYS A 116 6.799 11.213 -3.918 1.00 0.00 C ATOM 1768 O LYS A 116 7.202 10.132 -4.344 1.00 0.00 O ATOM 1769 CB LYS A 116 7.793 12.603 -2.009 1.00 0.00 C ATOM 1770 CG LYS A 116 8.844 11.760 -1.283 1.00 0.00 C ATOM 1771 CD LYS A 116 10.204 12.461 -1.281 1.00 0.00 C ATOM 1772 CE LYS A 116 11.224 11.675 -0.456 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.593 11.903 -0.973 1.00 0.00 N ATOM 0 H LYS A 116 7.053 14.253 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 116 8.789 11.932 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.994 13.662 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.807 12.398 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.524 11.577 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.933 10.787 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.564 12.568 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.098 13.466 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.168 11.979 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.988 10.612 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.274 11.363 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.646 11.591 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.821 12.916 -0.917 1.00 0.00 H new ATOM 1787 N MET A 117 5.522 11.534 -3.774 1.00 0.00 N ATOM 1788 CA MET A 117 4.470 10.595 -4.122 1.00 0.00 C ATOM 1789 C MET A 117 4.610 10.128 -5.573 1.00 0.00 C ATOM 1790 O MET A 117 4.678 8.929 -5.839 1.00 0.00 O ATOM 1791 CB MET A 117 3.107 11.260 -3.930 1.00 0.00 C ATOM 1792 CG MET A 117 2.021 10.524 -4.718 1.00 0.00 C ATOM 1793 SD MET A 117 1.785 11.305 -6.306 1.00 0.00 S ATOM 1794 CE MET A 117 0.144 10.721 -6.698 1.00 0.00 C ATOM 0 H MET A 117 5.192 12.432 -3.421 1.00 0.00 H new ATOM 0 HA MET A 117 4.555 9.726 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.849 11.270 -2.871 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.156 12.299 -4.256 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.304 9.480 -4.855 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.086 10.530 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.162 11.118 -7.666 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.145 9.632 -6.736 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.554 11.057 -5.931 1.00 0.00 H new ATOM 1804 N LYS A 118 4.649 11.100 -6.472 1.00 0.00 N ATOM 1805 CA LYS A 118 4.780 10.804 -7.889 1.00 0.00 C ATOM 1806 C LYS A 118 6.036 9.961 -8.116 1.00 0.00 C ATOM 1807 O LYS A 118 5.957 8.853 -8.645 1.00 0.00 O ATOM 1808 CB LYS A 118 4.749 12.095 -8.711 1.00 0.00 C ATOM 1809 CG LYS A 118 4.528 11.794 -10.194 1.00 0.00 C ATOM 1810 CD LYS A 118 3.963 13.015 -10.923 1.00 0.00 C ATOM 1811 CE LYS A 118 4.813 13.367 -12.146 1.00 0.00 C ATOM 1812 NZ LYS A 118 4.132 12.945 -13.390 1.00 0.00 N ATOM 0 H LYS A 118 4.592 12.093 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 118 3.932 10.212 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.954 12.744 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.687 12.636 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.471 11.496 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.842 10.953 -10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 118 2.938 12.815 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.929 13.866 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.997 14.441 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.785 12.879 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.723 13.191 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.979 11.917 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.215 13.430 -13.466 1.00 0.00 H new ATOM 1826 N ALA A 119 7.166 10.517 -7.704 1.00 0.00 N ATOM 1827 CA ALA A 119 8.437 9.829 -7.856 1.00 0.00 C ATOM 1828 C ALA A 119 8.360 8.466 -7.166 1.00 0.00 C ATOM 1829 O ALA A 119 8.929 7.488 -7.649 1.00 0.00 O ATOM 1830 CB ALA A 119 9.560 10.704 -7.296 1.00 0.00 C ATOM 0 H ALA A 119 7.228 11.436 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 119 8.655 9.653 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.514 10.189 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.591 11.648 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.377 10.899 -6.239 1.00 0.00 H new ATOM 1836 N ALA A 120 7.651 8.444 -6.046 1.00 0.00 N ATOM 1837 CA ALA A 120 7.492 7.216 -5.285 1.00 0.00 C ATOM 1838 C ALA A 120 6.868 6.143 -6.179 1.00 0.00 C ATOM 1839 O ALA A 120 7.442 5.070 -6.360 1.00 0.00 O ATOM 1840 CB ALA A 120 6.653 7.495 -4.037 1.00 0.00 C ATOM 0 H ALA A 120 7.181 9.257 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 120 8.460 6.843 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.533 6.574 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.154 8.242 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.673 7.868 -4.334 1.00 0.00 H new ATOM 1846 N ILE A 121 5.701 6.470 -6.715 1.00 0.00 N ATOM 1847 CA ILE A 121 4.994 5.548 -7.587 1.00 0.00 C ATOM 1848 C ILE A 121 5.886 5.191 -8.777 1.00 0.00 C ATOM 1849 O ILE A 121 5.948 4.032 -9.185 1.00 0.00 O ATOM 1850 CB ILE A 121 3.636 6.126 -7.988 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.703 6.779 -9.370 1.00 0.00 C ATOM 1852 CG2 ILE A 121 3.114 7.093 -6.923 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.308 6.921 -9.979 1.00 0.00 C ATOM 0 H ILE A 121 5.228 7.361 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 121 4.777 4.618 -7.062 1.00 0.00 H new ATOM 0 HB ILE A 121 2.923 5.304 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.170 7.761 -9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.332 6.180 -10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.147 7.489 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 121 3.003 6.565 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.820 7.914 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.385 7.388 -10.961 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.853 5.936 -10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.689 7.541 -9.330 1.00 0.00 H new ATOM 1865 N GLU A 122 6.555 6.208 -9.300 1.00 0.00 N ATOM 1866 CA GLU A 122 7.441 6.016 -10.436 1.00 0.00 C ATOM 1867 C GLU A 122 8.491 4.951 -10.115 1.00 0.00 C ATOM 1868 O GLU A 122 9.101 4.383 -11.020 1.00 0.00 O ATOM 1869 CB GLU A 122 8.103 7.334 -10.844 1.00 0.00 C ATOM 1870 CG GLU A 122 7.071 8.317 -11.400 1.00 0.00 C ATOM 1871 CD GLU A 122 7.601 9.019 -12.652 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.241 8.319 -13.466 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.355 10.239 -12.765 1.00 0.00 O ATOM 0 H GLU A 122 6.501 7.168 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 122 6.847 5.669 -11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.604 7.776 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.870 7.143 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 122 6.150 7.786 -11.639 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.824 9.058 -10.640 1.00 0.00 H new ATOM 1880 N ALA A 123 8.671 4.712 -8.824 1.00 0.00 N ATOM 1881 CA ALA A 123 9.638 3.726 -8.373 1.00 0.00 C ATOM 1882 C ALA A 123 8.970 2.351 -8.323 1.00 0.00 C ATOM 1883 O ALA A 123 9.509 1.375 -8.845 1.00 0.00 O ATOM 1884 CB ALA A 123 10.204 4.149 -7.016 1.00 0.00 C ATOM 0 H ALA A 123 8.163 5.184 -8.076 1.00 0.00 H new ATOM 0 HA ALA A 123 10.475 3.662 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.929 3.409 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.692 5.119 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.394 4.221 -6.290 1.00 0.00 H new ATOM 1890 N VAL A 124 7.806 2.315 -7.691 1.00 0.00 N ATOM 1891 CA VAL A 124 7.059 1.075 -7.567 1.00 0.00 C ATOM 1892 C VAL A 124 6.726 0.543 -8.962 1.00 0.00 C ATOM 1893 O VAL A 124 6.713 -0.667 -9.182 1.00 0.00 O ATOM 1894 CB VAL A 124 5.819 1.296 -6.699 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.576 1.514 -7.564 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.614 0.131 -5.729 1.00 0.00 C ATOM 0 H VAL A 124 7.362 3.125 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 124 7.659 0.316 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 124 5.980 2.199 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.709 1.669 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.721 2.391 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.411 0.638 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.726 0.313 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.486 -0.793 -6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.484 0.042 -5.079 1.00 0.00 H new ATOM 1906 N PHE A 125 6.463 1.474 -9.867 1.00 0.00 N ATOM 1907 CA PHE A 125 6.131 1.113 -11.236 1.00 0.00 C ATOM 1908 C PHE A 125 7.394 0.969 -12.087 1.00 0.00 C ATOM 1909 O PHE A 125 7.333 0.484 -13.216 1.00 0.00 O ATOM 1910 CB PHE A 125 5.275 2.249 -11.801 1.00 0.00 C ATOM 1911 CG PHE A 125 3.896 2.373 -11.150 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.056 1.304 -11.128 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.512 3.552 -10.593 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.776 1.419 -10.524 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.232 3.668 -9.989 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.391 2.599 -9.967 1.00 0.00 C ATOM 0 H PHE A 125 6.473 2.477 -9.680 1.00 0.00 H new ATOM 0 HA PHE A 125 5.604 0.159 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.810 3.190 -11.676 1.00 0.00 H new ATOM 0 HB3 PHE A 125 5.147 2.095 -12.872 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.362 0.367 -11.570 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.180 4.400 -10.610 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.108 0.570 -10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.926 4.605 -9.547 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.418 2.687 -9.507 1.00 0.00 H new ATOM 1926 N GLY A 126 8.508 1.400 -11.514 1.00 0.00 N ATOM 1927 CA GLY A 126 9.783 1.324 -12.207 1.00 0.00 C ATOM 1928 C GLY A 126 10.912 0.963 -11.239 1.00 0.00 C ATOM 1929 O GLY A 126 11.285 -0.204 -11.122 1.00 0.00 O ATOM 0 H GLY A 126 8.554 1.803 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.726 0.578 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.000 2.280 -12.684 1.00 0.00 H new ATOM 1933 N ALA A 127 11.424 1.985 -10.568 1.00 0.00 N ATOM 1934 CA ALA A 127 12.503 1.789 -9.615 1.00 0.00 C ATOM 1935 C ALA A 127 11.937 1.184 -8.328 1.00 0.00 C ATOM 1936 O ALA A 127 11.371 1.895 -7.500 1.00 0.00 O ATOM 1937 CB ALA A 127 13.215 3.121 -9.368 1.00 0.00 C ATOM 0 H ALA A 127 11.111 2.951 -10.666 1.00 0.00 H new ATOM 0 HA ALA A 127 13.242 1.092 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.024 2.974 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 127 13.624 3.495 -10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 127 12.505 3.845 -8.968 1.00 0.00 H new ATOM 1943 N LEU A 128 12.108 -0.124 -8.203 1.00 0.00 N ATOM 1944 CA LEU A 128 11.622 -0.833 -7.032 1.00 0.00 C ATOM 1945 C LEU A 128 12.205 -0.190 -5.772 1.00 0.00 C ATOM 1946 O LEU A 128 11.479 0.416 -4.986 1.00 0.00 O ATOM 1947 CB LEU A 128 11.916 -2.330 -7.150 1.00 0.00 C ATOM 1948 CG LEU A 128 11.984 -2.888 -8.573 1.00 0.00 C ATOM 1949 CD1 LEU A 128 12.078 -4.416 -8.558 1.00 0.00 C ATOM 1950 CD2 LEU A 128 10.803 -2.396 -9.413 1.00 0.00 C ATOM 0 H LEU A 128 12.576 -0.711 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 128 10.538 -0.749 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 128 12.865 -2.534 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 128 11.147 -2.876 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 128 12.893 -2.513 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 128 12.125 -4.788 -9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.976 -4.720 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.200 -4.830 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.876 -2.808 -10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.869 -2.722 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.821 -1.307 -9.464 1.00 0.00 H new ATOM 1962 N LYS A 129 13.513 -0.344 -5.619 1.00 0.00 N ATOM 1963 CA LYS A 129 14.202 0.214 -4.469 1.00 0.00 C ATOM 1964 C LYS A 129 14.358 1.724 -4.656 1.00 0.00 C ATOM 1965 O LYS A 129 15.261 2.177 -5.357 1.00 0.00 O ATOM 1966 CB LYS A 129 15.526 -0.516 -4.231 1.00 0.00 C ATOM 1967 CG LYS A 129 15.336 -1.704 -3.287 1.00 0.00 C ATOM 1968 CD LYS A 129 15.910 -1.400 -1.901 1.00 0.00 C ATOM 1969 CE LYS A 129 17.382 -1.810 -1.816 1.00 0.00 C ATOM 1970 NZ LYS A 129 18.000 -1.269 -0.585 1.00 0.00 N ATOM 0 H LYS A 129 14.113 -0.847 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 129 13.614 0.064 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.929 -0.864 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.256 0.175 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.275 -1.939 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.826 -2.585 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.812 -0.335 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.336 -1.931 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.464 -2.897 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.919 -1.444 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.999 -1.556 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.938 -0.231 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.498 -1.639 0.247 1.00 0.00 H new TER 1984 LYS A 129