USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 104 HIS : no HD1:sc= -0.607 K(o=-2.1,f=-5.3!) USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.5! C(o=-2.1!,f=-2.2!) USER MOD Set 2.1: A 107 HIS : no HE2:sc= 0.406 K(o=0.53,f=-3) USER MOD Set 2.2: A 108 HIS : no HD1:sc= 0.129 K(o=0.53,f=-3.6) USER MOD Set 3.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 88 ASN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 54 LYS NZ :NH3+ -162:sc= -0.0633 (180deg=-0.517) USER MOD Set 5.1: A 30 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.1!) USER MOD Set 5.2: A 32 HIS :FLIP no HD1:sc= 0 X(o=-3.1,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.588 (180deg=-0.594) USER MOD Single : A 4 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.42) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.153 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -6.31! C(o=-6.3!,f=-8.4!) USER MOD Single : A 16 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : A 19 ASN : amide:sc= -3.05 K(o=-3,f=-4.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= -1.15 (180deg=-1.45) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -70:sc= 0.128 USER MOD Single : A 37 GLN : amide:sc= -3.13! C(o=-3.1!,f=-4.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= -0.307 (180deg=-1.44!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 55 ASN : amide:sc= -3.53! C(o=-3.5!,f=-7.2!) USER MOD Single : A 63 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.1!) USER MOD Single : A 66 SER OG : rot -100:sc= -0.702 USER MOD Single : A 67 TYR OH : rot -15:sc= 0.635 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.8!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.16 F(o=-4.2!,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.2!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.57 F(o=-4.7!,f=-0.57) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 33:sc= 0.812 USER MOD Single : A 90 SER OG : rot -140:sc= -1.26 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-5.4!) USER MOD Single : A 106 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.370 1.429 -12.757 1.00 0.00 N ATOM 2 CA MET A 1 -12.894 2.809 -13.060 1.00 0.00 C ATOM 3 C MET A 1 -13.331 3.750 -11.937 1.00 0.00 C ATOM 4 O MET A 1 -13.466 4.940 -12.130 1.00 0.00 O ATOM 5 CB MET A 1 -13.497 3.276 -14.387 1.00 0.00 C ATOM 6 CG MET A 1 -12.917 2.443 -15.534 1.00 0.00 C ATOM 7 SD MET A 1 -13.620 3.002 -17.106 1.00 0.00 S ATOM 8 CE MET A 1 -12.986 1.653 -18.134 1.00 0.00 C ATOM 0 H1 MET A 1 -13.090 0.788 -13.527 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.947 1.104 -11.864 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.406 1.431 -12.668 1.00 0.00 H new ATOM 0 HA MET A 1 -11.807 2.814 -13.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.582 3.173 -14.362 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.280 4.332 -14.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.832 2.540 -15.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.140 1.387 -15.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.307 1.800 -19.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.897 1.643 -18.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.372 0.703 -17.766 1.00 0.00 H new ATOM 20 N GLU A 2 -13.561 3.217 -10.762 1.00 0.00 N ATOM 21 CA GLU A 2 -14.002 4.064 -9.608 1.00 0.00 C ATOM 22 C GLU A 2 -13.269 3.629 -8.334 1.00 0.00 C ATOM 23 O GLU A 2 -13.890 3.218 -7.372 1.00 0.00 O ATOM 24 CB GLU A 2 -15.508 3.870 -9.393 1.00 0.00 C ATOM 25 CG GLU A 2 -16.290 4.561 -10.511 1.00 0.00 C ATOM 26 CD GLU A 2 -16.246 6.074 -10.303 1.00 0.00 C ATOM 27 OE1 GLU A 2 -16.681 6.522 -9.255 1.00 0.00 O ATOM 28 OE2 GLU A 2 -15.779 6.762 -11.196 1.00 0.00 O ATOM 0 H GLU A 2 -13.462 2.224 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.778 5.109 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.747 2.807 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.801 4.279 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.863 4.304 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.323 4.214 -10.515 1.00 0.00 H new ATOM 35 N PRO A 3 -11.963 3.708 -8.319 1.00 0.00 N ATOM 36 CA PRO A 3 -11.158 3.303 -7.128 1.00 0.00 C ATOM 37 C PRO A 3 -11.363 4.263 -5.950 1.00 0.00 C ATOM 38 O PRO A 3 -11.375 5.470 -6.107 1.00 0.00 O ATOM 39 CB PRO A 3 -9.710 3.343 -7.642 1.00 0.00 C ATOM 40 CG PRO A 3 -9.726 4.318 -8.777 1.00 0.00 C ATOM 41 CD PRO A 3 -11.112 4.195 -9.420 1.00 0.00 C ATOM 0 HA PRO A 3 -11.444 2.324 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.022 3.661 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.382 2.358 -7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.549 5.333 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.940 4.091 -9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.462 5.153 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.104 3.499 -10.259 1.00 0.00 H new ATOM 49 N GLN A 4 -11.517 3.742 -4.764 1.00 0.00 N ATOM 50 CA GLN A 4 -11.720 4.628 -3.585 1.00 0.00 C ATOM 51 C GLN A 4 -10.364 5.019 -3.013 1.00 0.00 C ATOM 52 O GLN A 4 -9.836 4.376 -2.128 1.00 0.00 O ATOM 53 CB GLN A 4 -12.541 3.880 -2.533 1.00 0.00 C ATOM 54 CG GLN A 4 -13.963 3.657 -3.060 1.00 0.00 C ATOM 55 CD GLN A 4 -14.677 5.003 -3.208 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.707 5.791 -2.282 1.00 0.00 O ATOM 57 NE2 GLN A 4 -15.250 5.306 -4.341 1.00 0.00 N ATOM 0 H GLN A 4 -11.511 2.742 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.255 5.531 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.072 2.923 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.571 4.451 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -13.928 3.145 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.517 3.014 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.225 4.645 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.723 6.203 -4.450 1.00 0.00 H new ATOM 66 N LEU A 5 -9.797 6.077 -3.516 1.00 0.00 N ATOM 67 CA LEU A 5 -8.468 6.525 -3.012 1.00 0.00 C ATOM 68 C LEU A 5 -8.613 7.055 -1.589 1.00 0.00 C ATOM 69 O LEU A 5 -9.529 7.788 -1.276 1.00 0.00 O ATOM 70 CB LEU A 5 -7.932 7.637 -3.929 1.00 0.00 C ATOM 71 CG LEU A 5 -7.258 7.027 -5.169 1.00 0.00 C ATOM 72 CD1 LEU A 5 -5.926 6.350 -4.792 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.205 5.999 -5.802 1.00 0.00 C ATOM 0 H LEU A 5 -10.196 6.654 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.772 5.686 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.749 8.291 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.217 8.254 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.044 7.823 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.468 5.926 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.254 7.088 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.113 5.556 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.733 5.563 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.423 5.212 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.133 6.491 -6.094 1.00 0.00 H new ATOM 85 N THR A 6 -7.704 6.682 -0.729 1.00 0.00 N ATOM 86 CA THR A 6 -7.751 7.144 0.694 1.00 0.00 C ATOM 87 C THR A 6 -6.428 7.821 1.050 1.00 0.00 C ATOM 88 O THR A 6 -5.363 7.281 0.831 1.00 0.00 O ATOM 89 CB THR A 6 -7.979 5.938 1.606 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.216 5.326 1.268 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.014 6.405 3.060 1.00 0.00 C ATOM 0 H THR A 6 -6.920 6.069 -0.952 1.00 0.00 H new ATOM 0 HA THR A 6 -8.565 7.856 0.826 1.00 0.00 H new ATOM 0 HB THR A 6 -7.171 5.218 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.602 4.906 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.176 5.548 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.066 6.880 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.825 7.121 3.193 1.00 0.00 H new ATOM 99 N LYS A 7 -6.493 9.008 1.589 1.00 0.00 N ATOM 100 CA LYS A 7 -5.248 9.742 1.954 1.00 0.00 C ATOM 101 C LYS A 7 -4.761 9.299 3.337 1.00 0.00 C ATOM 102 O LYS A 7 -5.523 8.816 4.149 1.00 0.00 O ATOM 103 CB LYS A 7 -5.541 11.241 1.976 1.00 0.00 C ATOM 104 CG LYS A 7 -5.864 11.718 0.558 1.00 0.00 C ATOM 105 CD LYS A 7 -6.127 13.226 0.573 1.00 0.00 C ATOM 106 CE LYS A 7 -6.451 13.703 -0.845 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.700 15.173 -0.832 1.00 0.00 N ATOM 0 H LYS A 7 -7.361 9.504 1.793 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.473 9.524 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.379 11.449 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.681 11.785 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.035 11.490 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.737 11.190 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.956 13.454 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.253 13.754 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.624 13.470 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.328 13.179 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.920 15.496 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.502 15.384 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.852 15.666 -0.487 1.00 0.00 H new ATOM 121 N ILE A 8 -3.496 9.472 3.609 1.00 0.00 N ATOM 122 CA ILE A 8 -2.947 9.069 4.932 1.00 0.00 C ATOM 123 C ILE A 8 -3.619 9.886 6.040 1.00 0.00 C ATOM 124 O ILE A 8 -4.005 9.358 7.065 1.00 0.00 O ATOM 125 CB ILE A 8 -1.441 9.337 4.953 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.778 8.616 3.774 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.849 8.819 6.265 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.677 9.069 3.654 1.00 0.00 C ATOM 0 H ILE A 8 -2.816 9.878 2.966 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.138 8.009 5.097 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.261 10.409 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.823 7.537 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.316 8.834 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.224 9.010 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.321 9.331 7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.028 7.747 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.150 8.557 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.710 10.146 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.210 8.828 4.574 1.00 0.00 H new ATOM 140 N VAL A 9 -3.762 11.166 5.843 1.00 0.00 N ATOM 141 CA VAL A 9 -4.405 12.019 6.882 1.00 0.00 C ATOM 142 C VAL A 9 -5.867 11.602 7.053 1.00 0.00 C ATOM 143 O VAL A 9 -6.469 11.824 8.084 1.00 0.00 O ATOM 144 CB VAL A 9 -4.325 13.484 6.444 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.151 13.686 5.174 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.864 14.386 7.558 1.00 0.00 C ATOM 0 H VAL A 9 -3.460 11.661 5.004 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.889 11.897 7.834 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.286 13.743 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.093 14.729 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.760 13.049 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.191 13.424 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.806 15.428 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.902 14.127 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.268 14.246 8.460 1.00 0.00 H new ATOM 156 N ASP A 10 -6.444 10.993 6.052 1.00 0.00 N ATOM 157 CA ASP A 10 -7.863 10.558 6.164 1.00 0.00 C ATOM 158 C ASP A 10 -7.936 9.255 6.957 1.00 0.00 C ATOM 159 O ASP A 10 -9.005 8.749 7.229 1.00 0.00 O ATOM 160 CB ASP A 10 -8.435 10.320 4.767 1.00 0.00 C ATOM 161 CG ASP A 10 -8.582 11.657 4.043 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.524 12.678 4.708 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.751 11.638 2.836 1.00 0.00 O ATOM 0 H ASP A 10 -5.993 10.779 5.163 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.437 11.333 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.779 9.658 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.403 9.824 4.838 1.00 0.00 H new ATOM 168 N ILE A 11 -6.813 8.699 7.326 1.00 0.00 N ATOM 169 CA ILE A 11 -6.840 7.422 8.094 1.00 0.00 C ATOM 170 C ILE A 11 -7.130 7.709 9.567 1.00 0.00 C ATOM 171 O ILE A 11 -6.272 8.146 10.308 1.00 0.00 O ATOM 172 CB ILE A 11 -5.490 6.710 7.961 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.283 6.298 6.501 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.476 5.465 8.857 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.862 5.765 6.305 1.00 0.00 C ATOM 0 H ILE A 11 -5.884 9.072 7.130 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.625 6.780 7.694 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.688 7.381 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.009 5.533 6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.454 7.152 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.515 4.959 8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.629 5.762 9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.274 4.788 8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.723 5.474 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.143 6.542 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.707 4.898 6.948 1.00 0.00 H new ATOM 187 N VAL A 12 -8.339 7.447 9.993 1.00 0.00 N ATOM 188 CA VAL A 12 -8.728 7.677 11.418 1.00 0.00 C ATOM 189 C VAL A 12 -9.220 6.353 12.004 1.00 0.00 C ATOM 190 O VAL A 12 -9.439 6.232 13.190 1.00 0.00 O ATOM 191 CB VAL A 12 -9.851 8.714 11.479 1.00 0.00 C ATOM 192 CG1 VAL A 12 -9.380 10.016 10.832 1.00 0.00 C ATOM 193 CG2 VAL A 12 -11.069 8.184 10.723 1.00 0.00 C ATOM 0 H VAL A 12 -9.085 7.077 9.404 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.874 8.044 11.987 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.117 8.902 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.181 10.754 10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.508 10.394 11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.115 9.830 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.872 8.920 10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.800 7.999 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.406 7.254 11.182 1.00 0.00 H new ATOM 203 N GLU A 13 -9.398 5.357 11.169 1.00 0.00 N ATOM 204 CA GLU A 13 -9.877 4.022 11.654 1.00 0.00 C ATOM 205 C GLU A 13 -9.064 2.910 10.984 1.00 0.00 C ATOM 206 O GLU A 13 -8.775 2.958 9.806 1.00 0.00 O ATOM 207 CB GLU A 13 -11.358 3.862 11.310 1.00 0.00 C ATOM 208 CG GLU A 13 -11.578 4.125 9.819 1.00 0.00 C ATOM 209 CD GLU A 13 -13.069 3.992 9.501 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.805 3.571 10.379 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.449 4.314 8.389 1.00 0.00 O ATOM 0 H GLU A 13 -9.231 5.412 10.164 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.747 3.956 12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.693 2.856 11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.955 4.556 11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.225 5.123 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.002 3.417 9.223 1.00 0.00 H new ATOM 218 N ASN A 14 -8.682 1.911 11.738 1.00 0.00 N ATOM 219 CA ASN A 14 -7.869 0.790 11.167 1.00 0.00 C ATOM 220 C ASN A 14 -8.770 -0.378 10.755 1.00 0.00 C ATOM 221 O ASN A 14 -9.907 -0.479 11.171 1.00 0.00 O ATOM 222 CB ASN A 14 -6.873 0.310 12.224 1.00 0.00 C ATOM 223 CG ASN A 14 -7.631 -0.198 13.452 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.685 -0.793 13.331 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.142 0.019 14.640 1.00 0.00 N ATOM 0 H ASN A 14 -8.899 1.822 12.731 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.341 1.151 10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.249 -0.485 11.815 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.207 1.125 12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.643 -0.310 15.466 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.258 0.518 14.745 1.00 0.00 H new ATOM 232 N GLY A 15 -8.261 -1.267 9.940 1.00 0.00 N ATOM 233 CA GLY A 15 -9.072 -2.435 9.497 1.00 0.00 C ATOM 234 C GLY A 15 -10.023 -2.009 8.382 1.00 0.00 C ATOM 235 O GLY A 15 -10.819 -2.793 7.905 1.00 0.00 O ATOM 0 H GLY A 15 -7.314 -1.231 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.417 -3.232 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.638 -2.836 10.337 1.00 0.00 H new ATOM 239 N GLN A 16 -9.953 -0.776 7.962 1.00 0.00 N ATOM 240 CA GLN A 16 -10.865 -0.308 6.880 1.00 0.00 C ATOM 241 C GLN A 16 -10.329 -0.745 5.515 1.00 0.00 C ATOM 242 O GLN A 16 -9.136 -0.777 5.286 1.00 0.00 O ATOM 243 CB GLN A 16 -10.974 1.217 6.928 1.00 0.00 C ATOM 244 CG GLN A 16 -9.583 1.842 6.808 1.00 0.00 C ATOM 245 CD GLN A 16 -9.712 3.365 6.857 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.805 3.890 6.940 1.00 0.00 O ATOM 247 NE2 GLN A 16 -8.637 4.103 6.815 1.00 0.00 N ATOM 0 H GLN A 16 -9.306 -0.074 8.320 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.851 -0.748 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.612 1.570 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.443 1.528 7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.943 1.493 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.112 1.534 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.719 3.664 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.714 5.119 6.852 1.00 0.00 H new ATOM 256 N TRP A 17 -11.209 -1.078 4.606 1.00 0.00 N ATOM 257 CA TRP A 17 -10.776 -1.513 3.243 1.00 0.00 C ATOM 258 C TRP A 17 -10.868 -0.334 2.278 1.00 0.00 C ATOM 259 O TRP A 17 -11.824 0.412 2.292 1.00 0.00 O ATOM 260 CB TRP A 17 -11.702 -2.629 2.756 1.00 0.00 C ATOM 261 CG TRP A 17 -11.441 -3.865 3.548 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.030 -4.174 4.725 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.533 -4.961 3.243 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.539 -5.391 5.163 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.614 -5.915 4.281 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.655 -5.215 2.174 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.851 -7.083 4.262 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.886 -6.389 2.150 1.00 0.00 C ATOM 269 CH2 TRP A 17 -8.984 -7.321 3.192 1.00 0.00 C ATOM 0 H TRP A 17 -12.219 -1.067 4.751 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.748 -1.872 3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.744 -2.327 2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.534 -2.820 1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.763 -3.570 5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.825 -5.845 6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.572 -4.502 1.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.930 -7.798 5.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.215 -6.575 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.390 -8.223 3.168 1.00 0.00 H new ATOM 280 N ALA A 18 -9.887 -0.158 1.432 1.00 0.00 N ATOM 281 CA ALA A 18 -9.942 0.977 0.466 1.00 0.00 C ATOM 282 C ALA A 18 -8.727 0.928 -0.459 1.00 0.00 C ATOM 283 O ALA A 18 -7.889 0.052 -0.361 1.00 0.00 O ATOM 284 CB ALA A 18 -9.955 2.309 1.226 1.00 0.00 C ATOM 0 H ALA A 18 -9.056 -0.747 1.369 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.852 0.894 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.995 3.134 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.829 2.348 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.050 2.393 1.828 1.00 0.00 H new ATOM 290 N ASN A 19 -8.630 1.871 -1.363 1.00 0.00 N ATOM 291 CA ASN A 19 -7.479 1.912 -2.316 1.00 0.00 C ATOM 292 C ASN A 19 -6.533 3.035 -1.899 1.00 0.00 C ATOM 293 O ASN A 19 -6.959 4.056 -1.398 1.00 0.00 O ATOM 294 CB ASN A 19 -8.003 2.206 -3.720 1.00 0.00 C ATOM 295 CG ASN A 19 -9.074 1.182 -4.085 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.874 0.355 -4.951 1.00 0.00 O ATOM 297 ND2 ASN A 19 -10.217 1.203 -3.454 1.00 0.00 N ATOM 0 H ASN A 19 -9.308 2.623 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.955 0.956 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.418 3.213 -3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.186 2.167 -4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.942 0.525 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.385 1.898 -2.726 1.00 0.00 H new ATOM 304 N LEU A 20 -5.253 2.862 -2.096 1.00 0.00 N ATOM 305 CA LEU A 20 -4.280 3.931 -1.707 1.00 0.00 C ATOM 306 C LEU A 20 -3.144 3.988 -2.724 1.00 0.00 C ATOM 307 O LEU A 20 -2.602 2.976 -3.116 1.00 0.00 O ATOM 308 CB LEU A 20 -3.713 3.626 -0.314 1.00 0.00 C ATOM 309 CG LEU A 20 -2.680 4.713 0.097 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.860 5.078 1.575 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.248 4.195 -0.108 1.00 0.00 C ATOM 0 H LEU A 20 -4.837 2.028 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.790 4.894 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.522 3.589 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.238 2.645 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.845 5.592 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.132 5.840 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.867 5.463 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.709 4.191 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.536 4.967 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.091 3.307 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.099 3.943 -1.158 1.00 0.00 H new ATOM 323 N LYS A 21 -2.782 5.171 -3.155 1.00 0.00 N ATOM 324 CA LYS A 21 -1.675 5.325 -4.151 1.00 0.00 C ATOM 325 C LYS A 21 -0.532 6.107 -3.513 1.00 0.00 C ATOM 326 O LYS A 21 -0.751 7.059 -2.792 1.00 0.00 O ATOM 327 CB LYS A 21 -2.191 6.095 -5.362 1.00 0.00 C ATOM 328 CG LYS A 21 -1.111 6.122 -6.443 1.00 0.00 C ATOM 329 CD LYS A 21 -1.688 6.706 -7.735 1.00 0.00 C ATOM 330 CE LYS A 21 -2.117 8.158 -7.510 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.207 8.853 -8.824 1.00 0.00 N ATOM 0 H LYS A 21 -3.211 6.047 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.322 4.342 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.096 5.625 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.458 7.112 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.263 6.720 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.738 5.114 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.943 6.658 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.542 6.113 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.081 8.190 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.400 8.666 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.498 9.840 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.278 8.833 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.907 8.372 -9.424 1.00 0.00 H new ATOM 345 N ALA A 22 0.691 5.724 -3.764 1.00 0.00 N ATOM 346 CA ALA A 22 1.829 6.475 -3.154 1.00 0.00 C ATOM 347 C ALA A 22 3.112 6.192 -3.926 1.00 0.00 C ATOM 348 O ALA A 22 3.118 5.448 -4.885 1.00 0.00 O ATOM 349 CB ALA A 22 2.011 6.056 -1.700 1.00 0.00 C ATOM 0 H ALA A 22 0.951 4.935 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 22 1.608 7.542 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.843 6.609 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.100 6.272 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.221 4.987 -1.653 1.00 0.00 H new ATOM 355 N LYS A 23 4.201 6.793 -3.513 1.00 0.00 N ATOM 356 CA LYS A 23 5.508 6.582 -4.214 1.00 0.00 C ATOM 357 C LYS A 23 6.468 5.834 -3.296 1.00 0.00 C ATOM 358 O LYS A 23 6.495 6.047 -2.102 1.00 0.00 O ATOM 359 CB LYS A 23 6.097 7.941 -4.587 1.00 0.00 C ATOM 360 CG LYS A 23 7.421 7.743 -5.322 1.00 0.00 C ATOM 361 CD LYS A 23 7.934 9.102 -5.795 1.00 0.00 C ATOM 362 CE LYS A 23 9.251 8.919 -6.546 1.00 0.00 C ATOM 363 NZ LYS A 23 10.312 8.500 -5.588 1.00 0.00 N ATOM 0 H LYS A 23 4.242 7.426 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 23 5.352 5.992 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.398 8.490 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.254 8.539 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.151 7.273 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.284 7.075 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.196 9.575 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.079 9.764 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.135 8.169 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.535 9.850 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.232 8.490 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.346 9.170 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.099 7.547 -5.229 1.00 0.00 H new ATOM 377 N VAL A 24 7.249 4.940 -3.844 1.00 0.00 N ATOM 378 CA VAL A 24 8.196 4.160 -2.995 1.00 0.00 C ATOM 379 C VAL A 24 9.470 4.966 -2.737 1.00 0.00 C ATOM 380 O VAL A 24 10.140 5.402 -3.650 1.00 0.00 O ATOM 381 CB VAL A 24 8.543 2.853 -3.707 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.578 2.077 -2.890 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.275 2.011 -3.851 1.00 0.00 C ATOM 0 H VAL A 24 7.272 4.717 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 24 7.725 3.945 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 24 8.956 3.073 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.822 1.146 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.481 2.678 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.170 1.853 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.514 1.076 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.868 1.794 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.537 2.562 -4.434 1.00 0.00 H new ATOM 393 N ILE A 25 9.811 5.146 -1.486 1.00 0.00 N ATOM 394 CA ILE A 25 11.047 5.903 -1.126 1.00 0.00 C ATOM 395 C ILE A 25 12.139 4.908 -0.745 1.00 0.00 C ATOM 396 O ILE A 25 13.240 4.951 -1.253 1.00 0.00 O ATOM 397 CB ILE A 25 10.762 6.813 0.071 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.757 7.895 -0.336 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.066 7.467 0.540 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.278 8.655 0.907 1.00 0.00 C ATOM 0 H ILE A 25 9.278 4.796 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 25 11.367 6.508 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 25 10.344 6.222 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.219 8.587 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.907 7.441 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.862 8.115 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.776 6.694 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.489 8.058 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.564 9.423 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.799 7.960 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.131 9.123 1.398 1.00 0.00 H new ATOM 412 N GLN A 26 11.837 4.007 0.155 1.00 0.00 N ATOM 413 CA GLN A 26 12.849 2.999 0.581 1.00 0.00 C ATOM 414 C GLN A 26 12.138 1.695 0.943 1.00 0.00 C ATOM 415 O GLN A 26 11.038 1.692 1.474 1.00 0.00 O ATOM 416 CB GLN A 26 13.614 3.527 1.798 1.00 0.00 C ATOM 417 CG GLN A 26 14.685 2.513 2.209 1.00 0.00 C ATOM 418 CD GLN A 26 15.466 3.051 3.408 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.458 2.459 4.468 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.149 4.156 3.283 1.00 0.00 N ATOM 0 H GLN A 26 10.929 3.928 0.614 1.00 0.00 H new ATOM 0 HA GLN A 26 13.552 2.816 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.077 4.485 1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.926 3.701 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.220 1.560 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.362 2.326 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.156 4.653 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.676 4.522 4.076 1.00 0.00 H new ATOM 429 N LEU A 27 12.771 0.586 0.658 1.00 0.00 N ATOM 430 CA LEU A 27 12.173 -0.748 0.968 1.00 0.00 C ATOM 431 C LEU A 27 13.244 -1.660 1.567 1.00 0.00 C ATOM 432 O LEU A 27 14.375 -1.670 1.127 1.00 0.00 O ATOM 433 CB LEU A 27 11.599 -1.370 -0.313 1.00 0.00 C ATOM 434 CG LEU A 27 12.717 -1.788 -1.283 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.078 -2.349 -2.556 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.596 -0.577 -1.642 1.00 0.00 C ATOM 0 H LEU A 27 13.690 0.548 0.217 1.00 0.00 H new ATOM 0 HA LEU A 27 11.366 -0.627 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.993 -2.239 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.939 -0.654 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 27 13.343 -2.544 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.860 -2.650 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.464 -3.214 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.454 -1.584 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.382 -0.889 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.983 0.190 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.046 -0.172 -0.735 1.00 0.00 H new ATOM 448 N TRP A 28 12.898 -2.419 2.577 1.00 0.00 N ATOM 449 CA TRP A 28 13.893 -3.334 3.227 1.00 0.00 C ATOM 450 C TRP A 28 13.312 -4.749 3.302 1.00 0.00 C ATOM 451 O TRP A 28 12.253 -4.968 3.851 1.00 0.00 O ATOM 452 CB TRP A 28 14.198 -2.815 4.632 1.00 0.00 C ATOM 453 CG TRP A 28 15.207 -3.701 5.281 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.536 -3.671 5.037 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.993 -4.741 6.272 1.00 0.00 C ATOM 456 NE1 TRP A 28 17.152 -4.631 5.817 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.242 -5.316 6.599 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.846 -5.235 6.917 1.00 0.00 C ATOM 459 CZ2 TRP A 28 16.351 -6.348 7.529 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.950 -6.273 7.856 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.201 -6.827 8.162 1.00 0.00 C ATOM 0 H TRP A 28 11.963 -2.446 2.983 1.00 0.00 H new ATOM 0 HA TRP A 28 14.813 -3.362 2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.575 -1.794 4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 28 13.285 -2.788 5.227 1.00 0.00 H new ATOM 0 HD1 TRP A 28 17.034 -3.007 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 28 18.156 -4.812 5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.878 -4.813 6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.316 -6.774 7.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.062 -6.647 8.345 1.00 0.00 H new ATOM 0 HH2 TRP A 28 15.276 -7.624 8.887 1.00 0.00 H new ATOM 472 N GLU A 29 13.997 -5.712 2.741 1.00 0.00 N ATOM 473 CA GLU A 29 13.483 -7.113 2.768 1.00 0.00 C ATOM 474 C GLU A 29 13.419 -7.629 4.204 1.00 0.00 C ATOM 475 O GLU A 29 14.302 -7.390 5.002 1.00 0.00 O ATOM 476 CB GLU A 29 14.397 -8.008 1.935 1.00 0.00 C ATOM 477 CG GLU A 29 14.238 -7.647 0.457 1.00 0.00 C ATOM 478 CD GLU A 29 15.205 -8.483 -0.379 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.944 -9.258 0.204 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.189 -8.333 -1.590 1.00 0.00 O ATOM 0 H GLU A 29 14.891 -5.588 2.265 1.00 0.00 H new ATOM 0 HA GLU A 29 12.477 -7.129 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.434 -7.878 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.145 -9.056 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.212 -7.829 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.436 -6.586 0.308 1.00 0.00 H new ATOM 487 N ASN A 30 12.370 -8.333 4.537 1.00 0.00 N ATOM 488 CA ASN A 30 12.225 -8.865 5.921 1.00 0.00 C ATOM 489 C ASN A 30 12.970 -10.194 6.054 1.00 0.00 C ATOM 490 O ASN A 30 13.409 -10.774 5.084 1.00 0.00 O ATOM 491 CB ASN A 30 10.736 -9.076 6.220 1.00 0.00 C ATOM 492 CG ASN A 30 10.511 -9.122 7.732 1.00 0.00 C ATOM 493 OD1 ASN A 30 11.197 -8.453 8.480 1.00 0.00 O ATOM 494 ND2 ASN A 30 9.572 -9.887 8.214 1.00 0.00 N ATOM 0 H ASN A 30 11.603 -8.563 3.905 1.00 0.00 H new ATOM 0 HA ASN A 30 12.649 -8.153 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.150 -8.269 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.392 -10.004 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.412 -9.925 9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.998 -10.448 7.585 1.00 0.00 H new ATOM 501 N THR A 31 13.105 -10.682 7.260 1.00 0.00 N ATOM 502 CA THR A 31 13.810 -11.978 7.489 1.00 0.00 C ATOM 503 C THR A 31 12.772 -13.078 7.717 1.00 0.00 C ATOM 504 O THR A 31 13.108 -14.213 7.984 1.00 0.00 O ATOM 505 CB THR A 31 14.699 -11.850 8.727 1.00 0.00 C ATOM 506 OG1 THR A 31 13.890 -11.557 9.856 1.00 0.00 O ATOM 507 CG2 THR A 31 15.710 -10.723 8.515 1.00 0.00 C ATOM 0 H THR A 31 12.753 -10.232 8.105 1.00 0.00 H new ATOM 0 HA THR A 31 14.423 -12.228 6.623 1.00 0.00 H new ATOM 0 HB THR A 31 15.232 -12.786 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.456 -11.476 10.652 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.344 -10.632 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.328 -10.948 7.646 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.180 -9.785 8.350 1.00 0.00 H new ATOM 515 N HIS A 32 11.506 -12.742 7.613 1.00 0.00 N ATOM 516 CA HIS A 32 10.421 -13.757 7.818 1.00 0.00 C ATOM 517 C HIS A 32 9.812 -14.142 6.470 1.00 0.00 C ATOM 518 O HIS A 32 9.548 -13.306 5.628 1.00 0.00 O ATOM 519 CB HIS A 32 9.332 -13.165 8.715 1.00 0.00 C ATOM 520 CG HIS A 32 9.883 -12.965 10.100 1.00 0.00 C ATOM 521 ND1 HIS A 32 10.370 -11.854 10.746 1.00 0.00 N flip ATOM 522 CD2 HIS A 32 9.984 -14.006 11.008 1.00 0.00 C flip ATOM 523 CE1 HIS A 32 10.768 -12.200 12.035 1.00 0.00 C flip ATOM 524 NE2 HIS A 32 10.514 -13.507 12.140 1.00 0.00 N flip ATOM 0 H HIS A 32 11.176 -11.802 7.393 1.00 0.00 H new ATOM 0 HA HIS A 32 10.844 -14.644 8.290 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.986 -12.215 8.308 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.469 -13.831 8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.691 -15.032 10.838 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.191 -11.551 12.788 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.699 -14.060 12.977 1.00 0.00 H new ATOM 532 N GLU A 33 9.588 -15.411 6.261 1.00 0.00 N ATOM 533 CA GLU A 33 9.001 -15.876 4.976 1.00 0.00 C ATOM 534 C GLU A 33 7.558 -15.382 4.859 1.00 0.00 C ATOM 535 O GLU A 33 7.066 -15.123 3.779 1.00 0.00 O ATOM 536 CB GLU A 33 9.024 -17.408 4.949 1.00 0.00 C ATOM 537 CG GLU A 33 8.615 -17.914 3.564 1.00 0.00 C ATOM 538 CD GLU A 33 9.723 -17.594 2.559 1.00 0.00 C ATOM 539 OE1 GLU A 33 10.777 -17.150 2.987 1.00 0.00 O ATOM 540 OE2 GLU A 33 9.502 -17.802 1.379 1.00 0.00 O ATOM 0 H GLU A 33 9.789 -16.151 6.934 1.00 0.00 H new ATOM 0 HA GLU A 33 9.580 -15.481 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.022 -17.769 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.345 -17.803 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.437 -18.989 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.681 -17.445 3.254 1.00 0.00 H new ATOM 547 N SER A 34 6.872 -15.253 5.963 1.00 0.00 N ATOM 548 CA SER A 34 5.462 -14.784 5.913 1.00 0.00 C ATOM 549 C SER A 34 5.403 -13.388 5.295 1.00 0.00 C ATOM 550 O SER A 34 4.545 -13.102 4.487 1.00 0.00 O ATOM 551 CB SER A 34 4.890 -14.739 7.329 1.00 0.00 C ATOM 552 OG SER A 34 3.528 -14.331 7.270 1.00 0.00 O ATOM 0 H SER A 34 7.230 -15.453 6.897 1.00 0.00 H new ATOM 0 HA SER A 34 4.875 -15.472 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.968 -15.720 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.464 -14.046 7.944 1.00 0.00 H new ATOM 0 HG SER A 34 3.481 -13.384 7.022 1.00 0.00 H new ATOM 558 N ILE A 35 6.309 -12.515 5.668 1.00 0.00 N ATOM 559 CA ILE A 35 6.311 -11.126 5.101 1.00 0.00 C ATOM 560 C ILE A 35 7.449 -10.989 4.089 1.00 0.00 C ATOM 561 O ILE A 35 8.598 -11.247 4.390 1.00 0.00 O ATOM 562 CB ILE A 35 6.514 -10.120 6.235 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.371 -10.257 7.242 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.525 -8.701 5.659 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.693 -9.451 8.501 1.00 0.00 C ATOM 0 H ILE A 35 7.050 -12.704 6.343 1.00 0.00 H new ATOM 0 HA ILE A 35 5.360 -10.932 4.604 1.00 0.00 H new ATOM 0 HB ILE A 35 7.463 -10.315 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.440 -9.903 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.223 -11.306 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.670 -7.982 6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.338 -8.607 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.575 -8.503 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.876 -9.551 9.216 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.614 -9.826 8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.818 -8.401 8.238 1.00 0.00 H new ATOM 577 N SER A 36 7.133 -10.589 2.888 1.00 0.00 N ATOM 578 CA SER A 36 8.184 -10.439 1.845 1.00 0.00 C ATOM 579 C SER A 36 9.105 -9.266 2.186 1.00 0.00 C ATOM 580 O SER A 36 10.303 -9.424 2.300 1.00 0.00 O ATOM 581 CB SER A 36 7.509 -10.191 0.492 1.00 0.00 C ATOM 582 OG SER A 36 8.403 -10.558 -0.551 1.00 0.00 O ATOM 0 H SER A 36 6.187 -10.359 2.584 1.00 0.00 H new ATOM 0 HA SER A 36 8.783 -11.349 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.589 -10.771 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.232 -9.141 0.397 1.00 0.00 H new ATOM 0 HG SER A 36 7.975 -10.403 -1.419 1.00 0.00 H new ATOM 588 N GLN A 37 8.559 -8.088 2.343 1.00 0.00 N ATOM 589 CA GLN A 37 9.415 -6.911 2.666 1.00 0.00 C ATOM 590 C GLN A 37 8.578 -5.828 3.349 1.00 0.00 C ATOM 591 O GLN A 37 7.373 -5.773 3.198 1.00 0.00 O ATOM 592 CB GLN A 37 10.011 -6.353 1.373 1.00 0.00 C ATOM 593 CG GLN A 37 8.888 -6.009 0.394 1.00 0.00 C ATOM 594 CD GLN A 37 9.494 -5.482 -0.908 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.803 -5.321 -1.893 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.771 -5.209 -0.954 1.00 0.00 N ATOM 0 H GLN A 37 7.561 -7.892 2.262 1.00 0.00 H new ATOM 0 HA GLN A 37 10.215 -7.221 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.604 -5.464 1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.684 -7.084 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.281 -6.892 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.227 -5.260 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.352 -5.344 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.187 -4.861 -1.818 1.00 0.00 H new ATOM 605 N VAL A 38 9.217 -4.962 4.096 1.00 0.00 N ATOM 606 CA VAL A 38 8.486 -3.860 4.796 1.00 0.00 C ATOM 607 C VAL A 38 9.226 -2.545 4.553 1.00 0.00 C ATOM 608 O VAL A 38 10.437 -2.482 4.630 1.00 0.00 O ATOM 609 CB VAL A 38 8.430 -4.153 6.299 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.578 -5.403 6.544 1.00 0.00 C ATOM 611 CG2 VAL A 38 9.846 -4.391 6.830 1.00 0.00 C ATOM 0 H VAL A 38 10.225 -4.972 4.252 1.00 0.00 H new ATOM 0 HA VAL A 38 7.469 -3.787 4.411 1.00 0.00 H new ATOM 0 HB VAL A 38 7.987 -3.302 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.538 -5.612 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.569 -5.235 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.021 -6.253 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.803 -4.599 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.291 -5.241 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.453 -3.503 6.657 1.00 0.00 H new ATOM 621 N GLY A 39 8.514 -1.496 4.250 1.00 0.00 N ATOM 622 CA GLY A 39 9.190 -0.191 3.991 1.00 0.00 C ATOM 623 C GLY A 39 8.186 0.944 4.150 1.00 0.00 C ATOM 624 O GLY A 39 7.171 0.791 4.798 1.00 0.00 O ATOM 0 H GLY A 39 7.497 -1.484 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.020 -0.056 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.610 -0.181 2.985 1.00 0.00 H new ATOM 628 N LEU A 40 8.459 2.091 3.570 1.00 0.00 N ATOM 629 CA LEU A 40 7.508 3.247 3.701 1.00 0.00 C ATOM 630 C LEU A 40 7.311 3.933 2.351 1.00 0.00 C ATOM 631 O LEU A 40 8.198 3.970 1.523 1.00 0.00 O ATOM 632 CB LEU A 40 8.056 4.236 4.744 1.00 0.00 C ATOM 633 CG LEU A 40 9.255 5.036 4.164 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.800 6.423 3.683 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.331 5.220 5.244 1.00 0.00 C ATOM 0 H LEU A 40 9.294 2.277 3.014 1.00 0.00 H new ATOM 0 HA LEU A 40 6.536 2.882 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.268 4.924 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.371 3.694 5.636 1.00 0.00 H new ATOM 0 HG LEU A 40 9.660 4.476 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.655 6.967 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.044 6.309 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.378 6.978 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.169 5.782 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.910 5.766 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.679 4.244 5.581 1.00 0.00 H new ATOM 647 N LEU A 41 6.130 4.460 2.119 1.00 0.00 N ATOM 648 CA LEU A 41 5.826 5.133 0.815 1.00 0.00 C ATOM 649 C LEU A 41 5.644 6.633 1.051 1.00 0.00 C ATOM 650 O LEU A 41 5.049 7.050 2.025 1.00 0.00 O ATOM 651 CB LEU A 41 4.527 4.556 0.246 1.00 0.00 C ATOM 652 CG LEU A 41 4.602 3.025 0.198 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.250 2.472 -0.249 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.676 2.580 -0.799 1.00 0.00 C ATOM 0 H LEU A 41 5.357 4.452 2.785 1.00 0.00 H new ATOM 0 HA LEU A 41 6.645 4.967 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.683 4.867 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.354 4.950 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 41 4.855 2.649 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.296 1.384 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.479 2.779 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.008 2.858 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.720 1.491 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.429 2.956 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.644 2.975 -0.491 1.00 0.00 H new ATOM 666 N GLY A 42 6.160 7.447 0.170 1.00 0.00 N ATOM 667 CA GLY A 42 6.029 8.922 0.344 1.00 0.00 C ATOM 668 C GLY A 42 4.653 9.401 -0.124 1.00 0.00 C ATOM 669 O GLY A 42 3.941 8.705 -0.820 1.00 0.00 O ATOM 0 H GLY A 42 6.668 7.153 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.174 9.184 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.809 9.431 -0.222 1.00 0.00 H new ATOM 673 N ASP A 43 4.287 10.602 0.247 1.00 0.00 N ATOM 674 CA ASP A 43 2.967 11.159 -0.171 1.00 0.00 C ATOM 675 C ASP A 43 2.881 12.632 0.246 1.00 0.00 C ATOM 676 O ASP A 43 3.336 13.017 1.304 1.00 0.00 O ATOM 677 CB ASP A 43 1.831 10.374 0.488 1.00 0.00 C ATOM 678 CG ASP A 43 0.491 10.875 -0.056 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.496 11.862 -0.771 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.518 10.261 0.252 1.00 0.00 O ATOM 0 H ASP A 43 4.851 11.224 0.826 1.00 0.00 H new ATOM 0 HA ASP A 43 2.872 11.077 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.944 9.309 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.867 10.498 1.570 1.00 0.00 H new ATOM 685 N GLU A 44 2.301 13.458 -0.585 1.00 0.00 N ATOM 686 CA GLU A 44 2.185 14.908 -0.258 1.00 0.00 C ATOM 687 C GLU A 44 1.501 15.098 1.097 1.00 0.00 C ATOM 688 O GLU A 44 1.598 16.145 1.703 1.00 0.00 O ATOM 689 CB GLU A 44 1.354 15.596 -1.340 1.00 0.00 C ATOM 690 CG GLU A 44 2.142 15.608 -2.651 1.00 0.00 C ATOM 691 CD GLU A 44 1.280 16.216 -3.757 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.163 16.606 -3.461 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.751 16.282 -4.880 1.00 0.00 O ATOM 0 H GLU A 44 1.900 13.187 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 44 3.183 15.343 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.408 15.072 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.114 16.615 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.059 16.185 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.436 14.594 -2.920 1.00 0.00 H new ATOM 700 N THR A 45 0.810 14.101 1.583 1.00 0.00 N ATOM 701 CA THR A 45 0.122 14.238 2.901 1.00 0.00 C ATOM 702 C THR A 45 1.020 13.683 4.005 1.00 0.00 C ATOM 703 O THR A 45 0.752 13.857 5.177 1.00 0.00 O ATOM 704 CB THR A 45 -1.191 13.457 2.871 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.912 12.064 2.825 1.00 0.00 O ATOM 706 CG2 THR A 45 -1.995 13.865 1.635 1.00 0.00 C ATOM 0 H THR A 45 0.692 13.198 1.125 1.00 0.00 H new ATOM 0 HA THR A 45 -0.084 15.290 3.097 1.00 0.00 H new ATOM 0 HB THR A 45 -1.770 13.678 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.754 11.562 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.932 13.309 1.611 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.207 14.933 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.419 13.643 0.737 1.00 0.00 H new ATOM 714 N GLY A 46 2.096 13.025 3.647 1.00 0.00 N ATOM 715 CA GLY A 46 3.017 12.473 4.690 1.00 0.00 C ATOM 716 C GLY A 46 3.630 11.157 4.209 1.00 0.00 C ATOM 717 O GLY A 46 3.762 10.914 3.027 1.00 0.00 O ATOM 0 H GLY A 46 2.376 12.847 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.806 13.193 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.471 12.310 5.619 1.00 0.00 H new ATOM 721 N ILE A 47 4.007 10.308 5.133 1.00 0.00 N ATOM 722 CA ILE A 47 4.620 8.989 4.773 1.00 0.00 C ATOM 723 C ILE A 47 3.838 7.869 5.459 1.00 0.00 C ATOM 724 O ILE A 47 3.210 8.082 6.475 1.00 0.00 O ATOM 725 CB ILE A 47 6.072 8.968 5.258 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.125 9.221 6.772 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.865 10.059 4.540 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.572 9.094 7.255 1.00 0.00 C ATOM 0 H ILE A 47 3.915 10.474 6.135 1.00 0.00 H new ATOM 0 HA ILE A 47 4.590 8.845 3.693 1.00 0.00 H new ATOM 0 HB ILE A 47 6.504 7.991 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.739 10.215 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.491 8.505 7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.899 10.044 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.839 9.880 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.424 11.032 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.614 9.273 8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.941 8.091 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.193 9.827 6.741 1.00 0.00 H new ATOM 740 N ILE A 48 3.863 6.679 4.917 1.00 0.00 N ATOM 741 CA ILE A 48 3.113 5.551 5.552 1.00 0.00 C ATOM 742 C ILE A 48 3.902 4.245 5.425 1.00 0.00 C ATOM 743 O ILE A 48 4.528 3.979 4.422 1.00 0.00 O ATOM 744 CB ILE A 48 1.741 5.399 4.884 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.862 4.470 5.735 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.904 4.805 3.480 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.501 5.131 7.076 1.00 0.00 C ATOM 0 H ILE A 48 4.369 6.438 4.064 1.00 0.00 H new ATOM 0 HA ILE A 48 2.976 5.773 6.610 1.00 0.00 H new ATOM 0 HB ILE A 48 1.271 6.379 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.049 4.224 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.387 3.532 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.925 4.701 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.526 5.465 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.378 3.826 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.122 4.453 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.413 5.353 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.045 6.056 6.890 1.00 0.00 H new ATOM 759 N LYS A 49 3.859 3.431 6.444 1.00 0.00 N ATOM 760 CA LYS A 49 4.588 2.131 6.414 1.00 0.00 C ATOM 761 C LYS A 49 3.736 1.089 5.693 1.00 0.00 C ATOM 762 O LYS A 49 2.526 1.184 5.671 1.00 0.00 O ATOM 763 CB LYS A 49 4.846 1.675 7.847 1.00 0.00 C ATOM 764 CG LYS A 49 5.938 2.553 8.463 1.00 0.00 C ATOM 765 CD LYS A 49 6.092 2.244 9.956 1.00 0.00 C ATOM 766 CE LYS A 49 6.910 0.964 10.153 1.00 0.00 C ATOM 767 NZ LYS A 49 8.236 1.107 9.487 1.00 0.00 N ATOM 0 H LYS A 49 3.344 3.613 7.305 1.00 0.00 H new ATOM 0 HA LYS A 49 5.536 2.249 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.931 1.746 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.153 0.629 7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.884 2.381 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.688 3.605 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.583 3.078 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.109 2.130 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.046 0.768 11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.374 0.111 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.977 0.714 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.228 0.593 8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.429 2.114 9.311 1.00 0.00 H new ATOM 781 N PHE A 50 4.346 0.095 5.093 1.00 0.00 N ATOM 782 CA PHE A 50 3.539 -0.940 4.376 1.00 0.00 C ATOM 783 C PHE A 50 4.231 -2.298 4.463 1.00 0.00 C ATOM 784 O PHE A 50 5.414 -2.392 4.724 1.00 0.00 O ATOM 785 CB PHE A 50 3.379 -0.548 2.899 1.00 0.00 C ATOM 786 CG PHE A 50 4.691 -0.711 2.155 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.681 0.277 2.239 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.910 -1.852 1.371 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.885 0.123 1.538 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.113 -2.004 0.671 1.00 0.00 C ATOM 791 CZ PHE A 50 7.100 -1.017 0.755 1.00 0.00 C ATOM 0 H PHE A 50 5.356 -0.043 5.069 1.00 0.00 H new ATOM 0 HA PHE A 50 2.557 -1.004 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.612 -1.168 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.040 0.486 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.516 1.157 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.149 -2.616 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.648 0.885 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.279 -2.883 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.028 -1.134 0.216 1.00 0.00 H new ATOM 801 N THR A 51 3.497 -3.354 4.236 1.00 0.00 N ATOM 802 CA THR A 51 4.099 -4.718 4.288 1.00 0.00 C ATOM 803 C THR A 51 3.441 -5.582 3.214 1.00 0.00 C ATOM 804 O THR A 51 2.247 -5.508 2.997 1.00 0.00 O ATOM 805 CB THR A 51 3.854 -5.339 5.666 1.00 0.00 C ATOM 806 OG1 THR A 51 4.286 -6.694 5.656 1.00 0.00 O ATOM 807 CG2 THR A 51 2.362 -5.284 5.998 1.00 0.00 C ATOM 0 H THR A 51 2.501 -3.330 4.016 1.00 0.00 H new ATOM 0 HA THR A 51 5.173 -4.657 4.113 1.00 0.00 H new ATOM 0 HB THR A 51 4.412 -4.782 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.132 -7.093 6.538 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.191 -5.727 6.979 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.029 -4.246 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.801 -5.840 5.247 1.00 0.00 H new ATOM 815 N ILE A 52 4.207 -6.397 2.533 1.00 0.00 N ATOM 816 CA ILE A 52 3.627 -7.269 1.461 1.00 0.00 C ATOM 817 C ILE A 52 3.524 -8.705 1.966 1.00 0.00 C ATOM 818 O ILE A 52 4.510 -9.319 2.318 1.00 0.00 O ATOM 819 CB ILE A 52 4.534 -7.229 0.233 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.594 -5.793 -0.297 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.975 -8.163 -0.843 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.665 -5.685 -1.382 1.00 0.00 C ATOM 0 H ILE A 52 5.212 -6.498 2.672 1.00 0.00 H new ATOM 0 HA ILE A 52 2.633 -6.907 1.198 1.00 0.00 H new ATOM 0 HB ILE A 52 5.538 -7.558 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.624 -5.504 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.818 -5.104 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.621 -8.135 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.933 -9.181 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.972 -7.839 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.703 -4.662 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.635 -5.955 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.422 -6.361 -2.202 1.00 0.00 H new ATOM 834 N TRP A 53 2.336 -9.247 2.006 1.00 0.00 N ATOM 835 CA TRP A 53 2.164 -10.648 2.489 1.00 0.00 C ATOM 836 C TRP A 53 2.145 -11.598 1.292 1.00 0.00 C ATOM 837 O TRP A 53 1.581 -11.299 0.259 1.00 0.00 O ATOM 838 CB TRP A 53 0.844 -10.755 3.252 1.00 0.00 C ATOM 839 CG TRP A 53 0.908 -9.880 4.463 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.460 -8.606 4.519 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.442 -10.185 5.784 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.686 -8.106 5.788 1.00 0.00 N ATOM 843 CE2 TRP A 53 1.291 -9.042 6.605 1.00 0.00 C ATOM 844 CE3 TRP A 53 2.042 -11.329 6.343 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.715 -9.035 7.935 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.469 -11.325 7.682 1.00 0.00 C ATOM 847 CH2 TRP A 53 2.308 -10.179 8.475 1.00 0.00 C ATOM 0 H TRP A 53 1.475 -8.778 1.724 1.00 0.00 H new ATOM 0 HA TRP A 53 2.989 -10.916 3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.014 -10.453 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.661 -11.789 3.544 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.000 -8.066 3.705 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.437 -7.162 6.085 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.175 -12.215 5.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.586 -8.151 8.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.924 -12.209 8.103 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.642 -10.181 9.502 1.00 0.00 H new ATOM 858 N LYS A 54 2.756 -12.742 1.421 1.00 0.00 N ATOM 859 CA LYS A 54 2.775 -13.716 0.293 1.00 0.00 C ATOM 860 C LYS A 54 1.493 -14.549 0.319 1.00 0.00 C ATOM 861 O LYS A 54 1.525 -15.763 0.295 1.00 0.00 O ATOM 862 CB LYS A 54 4.000 -14.623 0.438 1.00 0.00 C ATOM 863 CG LYS A 54 5.263 -13.831 0.083 1.00 0.00 C ATOM 864 CD LYS A 54 6.494 -14.729 0.242 1.00 0.00 C ATOM 865 CE LYS A 54 7.758 -13.945 -0.121 1.00 0.00 C ATOM 866 NZ LYS A 54 7.691 -13.529 -1.552 1.00 0.00 N ATOM 0 H LYS A 54 3.245 -13.046 2.263 1.00 0.00 H new ATOM 0 HA LYS A 54 2.831 -13.186 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.068 -15.000 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.905 -15.489 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.198 -13.464 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.351 -12.958 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.561 -15.091 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.402 -15.605 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.852 -13.068 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.642 -14.560 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.643 -13.276 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.322 -14.314 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.061 -12.706 -1.645 1.00 0.00 H new ATOM 880 N ASN A 55 0.360 -13.899 0.360 1.00 0.00 N ATOM 881 CA ASN A 55 -0.936 -14.635 0.384 1.00 0.00 C ATOM 882 C ASN A 55 -1.214 -15.200 -1.009 1.00 0.00 C ATOM 883 O ASN A 55 -2.128 -15.976 -1.205 1.00 0.00 O ATOM 884 CB ASN A 55 -2.053 -13.664 0.778 1.00 0.00 C ATOM 885 CG ASN A 55 -3.323 -14.440 1.131 1.00 0.00 C ATOM 886 OD1 ASN A 55 -4.309 -13.857 1.534 1.00 0.00 O ATOM 887 ND2 ASN A 55 -3.344 -15.738 0.996 1.00 0.00 N ATOM 0 H ASN A 55 0.277 -12.883 0.378 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.891 -15.451 1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.738 -13.061 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.254 -12.976 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.188 -16.261 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.516 -16.229 0.658 1.00 0.00 H new ATOM 894 N ALA A 56 -0.428 -14.815 -1.981 1.00 0.00 N ATOM 895 CA ALA A 56 -0.634 -15.324 -3.366 1.00 0.00 C ATOM 896 C ALA A 56 0.626 -15.061 -4.189 1.00 0.00 C ATOM 897 O ALA A 56 1.430 -15.943 -4.413 1.00 0.00 O ATOM 898 CB ALA A 56 -1.821 -14.605 -4.005 1.00 0.00 C ATOM 0 H ALA A 56 0.351 -14.166 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.836 -16.395 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.970 -14.979 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.719 -14.789 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.622 -13.534 -4.039 1.00 0.00 H new ATOM 904 N GLU A 57 0.807 -13.851 -4.642 1.00 0.00 N ATOM 905 CA GLU A 57 2.017 -13.530 -5.449 1.00 0.00 C ATOM 906 C GLU A 57 2.096 -12.019 -5.682 1.00 0.00 C ATOM 907 O GLU A 57 1.265 -11.441 -6.353 1.00 0.00 O ATOM 908 CB GLU A 57 1.952 -14.263 -6.796 1.00 0.00 C ATOM 909 CG GLU A 57 0.518 -14.250 -7.336 1.00 0.00 C ATOM 910 CD GLU A 57 0.490 -14.908 -8.717 1.00 0.00 C ATOM 911 OE1 GLU A 57 1.466 -14.772 -9.437 1.00 0.00 O ATOM 912 OE2 GLU A 57 -0.508 -15.535 -9.033 1.00 0.00 O ATOM 0 H GLU A 57 0.169 -13.071 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 57 2.906 -13.855 -4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.622 -13.786 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.294 -15.291 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.144 -14.783 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.151 -13.226 -7.401 1.00 0.00 H new ATOM 919 N LEU A 58 3.097 -11.377 -5.138 1.00 0.00 N ATOM 920 CA LEU A 58 3.251 -9.901 -5.327 1.00 0.00 C ATOM 921 C LEU A 58 4.739 -9.581 -5.544 1.00 0.00 C ATOM 922 O LEU A 58 5.485 -9.434 -4.595 1.00 0.00 O ATOM 923 CB LEU A 58 2.746 -9.169 -4.080 1.00 0.00 C ATOM 924 CG LEU A 58 1.218 -9.308 -3.968 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.761 -8.711 -2.635 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.520 -8.570 -5.131 1.00 0.00 C ATOM 0 H LEU A 58 3.820 -11.814 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 58 2.672 -9.576 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.223 -9.580 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.020 -8.115 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 58 0.951 -10.364 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.321 -8.805 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.240 -9.245 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.038 -7.658 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.560 -8.679 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.782 -7.512 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.845 -8.997 -6.080 1.00 0.00 H new ATOM 938 N PRO A 59 5.178 -9.474 -6.781 1.00 0.00 N ATOM 939 CA PRO A 59 6.607 -9.171 -7.094 1.00 0.00 C ATOM 940 C PRO A 59 7.103 -7.923 -6.356 1.00 0.00 C ATOM 941 O PRO A 59 6.333 -7.062 -5.984 1.00 0.00 O ATOM 942 CB PRO A 59 6.618 -8.959 -8.618 1.00 0.00 C ATOM 943 CG PRO A 59 5.416 -9.693 -9.126 1.00 0.00 C ATOM 944 CD PRO A 59 4.373 -9.638 -8.007 1.00 0.00 C ATOM 0 HA PRO A 59 7.275 -9.971 -6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.567 -7.899 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.534 -9.348 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.034 -9.231 -10.036 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.666 -10.725 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.682 -8.807 -8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.774 -10.548 -7.973 1.00 0.00 H new ATOM 952 N LEU A 60 8.384 -7.834 -6.120 1.00 0.00 N ATOM 953 CA LEU A 60 8.932 -6.664 -5.381 1.00 0.00 C ATOM 954 C LEU A 60 8.679 -5.376 -6.166 1.00 0.00 C ATOM 955 O LEU A 60 8.789 -5.337 -7.373 1.00 0.00 O ATOM 956 CB LEU A 60 10.434 -6.857 -5.178 1.00 0.00 C ATOM 957 CG LEU A 60 10.694 -8.214 -4.511 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.201 -8.403 -4.330 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.000 -8.272 -3.141 1.00 0.00 C ATOM 0 H LEU A 60 9.076 -8.525 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 60 8.436 -6.586 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.950 -6.807 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.834 -6.054 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 60 10.294 -9.008 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.393 -9.366 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.691 -8.374 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.595 -7.605 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.191 -9.240 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.390 -7.480 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.926 -8.138 -3.271 1.00 0.00 H new ATOM 971 N LEU A 61 8.328 -4.325 -5.475 1.00 0.00 N ATOM 972 CA LEU A 61 8.044 -3.026 -6.149 1.00 0.00 C ATOM 973 C LEU A 61 9.355 -2.295 -6.453 1.00 0.00 C ATOM 974 O LEU A 61 10.332 -2.431 -5.746 1.00 0.00 O ATOM 975 CB LEU A 61 7.172 -2.172 -5.223 1.00 0.00 C ATOM 976 CG LEU A 61 5.721 -2.650 -5.305 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.652 -4.146 -4.979 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.877 -1.867 -4.300 1.00 0.00 C ATOM 0 H LEU A 61 8.225 -4.312 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 61 7.521 -3.205 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.533 -2.245 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.237 -1.123 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 61 5.338 -2.485 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.617 -4.484 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.257 -4.703 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.033 -4.317 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.842 -2.204 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.261 -2.035 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.926 -0.804 -4.534 1.00 0.00 H new ATOM 990 N GLU A 62 9.380 -1.521 -7.506 1.00 0.00 N ATOM 991 CA GLU A 62 10.625 -0.782 -7.868 1.00 0.00 C ATOM 992 C GLU A 62 10.714 0.516 -7.064 1.00 0.00 C ATOM 993 O GLU A 62 9.734 1.200 -6.854 1.00 0.00 O ATOM 994 CB GLU A 62 10.593 -0.465 -9.364 1.00 0.00 C ATOM 995 CG GLU A 62 10.643 -1.771 -10.160 1.00 0.00 C ATOM 996 CD GLU A 62 11.993 -2.455 -9.936 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.923 -1.768 -9.543 1.00 0.00 O ATOM 998 OE2 GLU A 62 12.074 -3.651 -10.155 1.00 0.00 O ATOM 0 H GLU A 62 8.590 -1.369 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 62 11.496 -1.395 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.688 0.090 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.438 0.169 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.833 -2.430 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.498 -1.568 -11.221 1.00 0.00 H new ATOM 1005 N GLN A 63 11.889 0.850 -6.601 1.00 0.00 N ATOM 1006 CA GLN A 63 12.060 2.089 -5.791 1.00 0.00 C ATOM 1007 C GLN A 63 12.074 3.333 -6.684 1.00 0.00 C ATOM 1008 O GLN A 63 12.752 3.382 -7.690 1.00 0.00 O ATOM 1009 CB GLN A 63 13.380 2.001 -5.022 1.00 0.00 C ATOM 1010 CG GLN A 63 13.574 3.267 -4.191 1.00 0.00 C ATOM 1011 CD GLN A 63 14.769 3.082 -3.258 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.200 1.971 -3.017 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.328 4.129 -2.718 1.00 0.00 N ATOM 0 H GLN A 63 12.743 0.313 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 63 11.222 2.174 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.377 1.125 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.210 1.880 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.738 4.123 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.675 3.476 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.967 5.061 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.127 4.016 -2.094 1.00 0.00 H new ATOM 1022 N GLY A 64 11.330 4.347 -6.312 1.00 0.00 N ATOM 1023 CA GLY A 64 11.295 5.602 -7.119 1.00 0.00 C ATOM 1024 C GLY A 64 10.109 5.573 -8.081 1.00 0.00 C ATOM 1025 O GLY A 64 9.895 6.504 -8.834 1.00 0.00 O ATOM 0 H GLY A 64 10.743 4.357 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.217 6.466 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.224 5.710 -7.678 1.00 0.00 H new ATOM 1029 N GLU A 65 9.339 4.512 -8.069 1.00 0.00 N ATOM 1030 CA GLU A 65 8.160 4.406 -8.992 1.00 0.00 C ATOM 1031 C GLU A 65 6.854 4.462 -8.194 1.00 0.00 C ATOM 1032 O GLU A 65 6.791 4.072 -7.041 1.00 0.00 O ATOM 1033 CB GLU A 65 8.230 3.081 -9.762 1.00 0.00 C ATOM 1034 CG GLU A 65 9.410 3.107 -10.747 1.00 0.00 C ATOM 1035 CD GLU A 65 10.712 2.767 -10.015 1.00 0.00 C ATOM 1036 OE1 GLU A 65 10.669 2.622 -8.805 1.00 0.00 O ATOM 1037 OE2 GLU A 65 11.729 2.656 -10.681 1.00 0.00 O ATOM 0 H GLU A 65 9.476 3.708 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 65 8.184 5.241 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.346 2.251 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.298 2.915 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.238 2.392 -11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.489 4.092 -11.207 1.00 0.00 H new ATOM 1044 N SER A 66 5.811 4.961 -8.810 1.00 0.00 N ATOM 1045 CA SER A 66 4.492 5.061 -8.122 1.00 0.00 C ATOM 1046 C SER A 66 3.717 3.757 -8.291 1.00 0.00 C ATOM 1047 O SER A 66 3.888 3.043 -9.257 1.00 0.00 O ATOM 1048 CB SER A 66 3.690 6.216 -8.724 1.00 0.00 C ATOM 1049 OG SER A 66 4.164 7.441 -8.180 1.00 0.00 O ATOM 0 H SER A 66 5.820 5.306 -9.770 1.00 0.00 H new ATOM 0 HA SER A 66 4.654 5.244 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.793 6.221 -9.809 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.629 6.092 -8.505 1.00 0.00 H new ATOM 0 HG SER A 66 3.561 7.738 -7.467 1.00 0.00 H new ATOM 1055 N TYR A 67 2.863 3.446 -7.355 1.00 0.00 N ATOM 1056 CA TYR A 67 2.060 2.195 -7.445 1.00 0.00 C ATOM 1057 C TYR A 67 0.656 2.451 -6.913 1.00 0.00 C ATOM 1058 O TYR A 67 0.455 3.219 -5.984 1.00 0.00 O ATOM 1059 CB TYR A 67 2.726 1.095 -6.620 1.00 0.00 C ATOM 1060 CG TYR A 67 3.980 0.643 -7.323 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.888 -0.244 -8.402 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.230 1.111 -6.905 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.047 -0.663 -9.062 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.389 0.692 -7.565 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.298 -0.196 -8.644 1.00 0.00 C ATOM 1066 OH TYR A 67 7.440 -0.610 -9.295 1.00 0.00 O ATOM 0 H TYR A 67 2.686 4.011 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 67 2.002 1.879 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.966 1.465 -5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.043 0.255 -6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.922 -0.604 -8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.300 1.796 -6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.977 -1.347 -9.895 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.354 1.053 -7.243 1.00 0.00 H new ATOM 0 HH TYR A 67 7.235 -1.392 -9.849 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.315 1.799 -7.496 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.730 1.961 -7.051 1.00 0.00 C ATOM 1078 C LEU A 68 -2.132 0.703 -6.289 1.00 0.00 C ATOM 1079 O LEU A 68 -2.029 -0.399 -6.796 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.623 2.140 -8.287 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.105 1.997 -7.921 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.460 2.965 -6.792 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.954 2.328 -9.151 1.00 0.00 C ATOM 0 H LEU A 68 -0.185 1.151 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.840 2.833 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.447 3.121 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.358 1.399 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.300 0.976 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.515 2.857 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.851 2.741 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.268 3.988 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.010 2.229 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.750 3.350 -9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.707 1.640 -9.960 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.579 0.860 -5.073 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.987 -0.317 -4.252 1.00 0.00 C ATOM 1097 C LEU A 69 -4.507 -0.430 -4.272 1.00 0.00 C ATOM 1098 O LEU A 69 -5.204 0.542 -4.067 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.509 -0.101 -2.817 1.00 0.00 C ATOM 1100 CG LEU A 69 -1.004 0.192 -2.815 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.528 0.387 -1.375 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.243 -0.975 -3.461 1.00 0.00 C ATOM 0 H LEU A 69 -2.680 1.762 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.549 -1.231 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.052 0.728 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.718 -0.986 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.811 1.099 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.542 0.595 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.063 1.224 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.723 -0.519 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.826 -0.760 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.432 -1.889 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.582 -1.106 -4.489 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.032 -1.605 -4.533 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.520 -1.777 -4.581 1.00 0.00 C ATOM 1116 C ARG A 70 -6.948 -2.918 -3.661 1.00 0.00 C ATOM 1117 O ARG A 70 -6.293 -3.940 -3.570 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.950 -2.102 -6.011 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.545 -0.955 -6.934 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.018 -1.247 -8.359 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.279 -2.425 -8.894 1.00 0.00 N ATOM 1122 CZ ARG A 70 -6.708 -3.032 -9.969 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.790 -2.614 -10.570 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.057 -4.060 -10.442 1.00 0.00 N ATOM 0 H ARG A 70 -4.494 -2.452 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.992 -0.852 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.484 -3.031 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.029 -2.254 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.980 -0.020 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.462 -0.828 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.090 -1.443 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.849 -0.378 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.439 -2.758 -8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.301 -1.813 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.123 -3.089 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.214 -4.390 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.392 -4.534 -11.281 1.00 0.00 H new ATOM 1138 N SER A 71 -8.059 -2.738 -2.990 1.00 0.00 N ATOM 1139 CA SER A 71 -8.588 -3.787 -2.068 1.00 0.00 C ATOM 1140 C SER A 71 -7.544 -4.140 -1.008 1.00 0.00 C ATOM 1141 O SER A 71 -7.168 -5.284 -0.863 1.00 0.00 O ATOM 1142 CB SER A 71 -8.964 -5.039 -2.872 1.00 0.00 C ATOM 1143 OG SER A 71 -10.224 -4.832 -3.499 1.00 0.00 O ATOM 0 H SER A 71 -8.630 -1.894 -3.044 1.00 0.00 H new ATOM 0 HA SER A 71 -9.475 -3.401 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.201 -5.247 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.010 -5.907 -2.215 1.00 0.00 H new ATOM 0 HG SER A 71 -10.467 -5.629 -4.015 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.087 -3.168 -0.250 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.078 -3.444 0.827 1.00 0.00 C ATOM 1151 C VAL A 72 -6.721 -3.184 2.186 1.00 0.00 C ATOM 1152 O VAL A 72 -7.741 -2.527 2.283 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.861 -2.530 0.660 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.069 -2.953 -0.581 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.321 -1.077 0.501 1.00 0.00 C ATOM 0 H VAL A 72 -7.371 -2.192 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.752 -4.482 0.757 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.227 -2.612 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.203 -2.302 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.735 -3.984 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.705 -2.874 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.451 -0.431 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.959 -0.992 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.881 -0.774 1.386 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.137 -3.708 3.234 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.705 -3.521 4.609 1.00 0.00 C ATOM 1167 C VAL A 73 -5.701 -2.766 5.478 1.00 0.00 C ATOM 1168 O VAL A 73 -4.522 -3.058 5.483 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.987 -4.898 5.220 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.672 -5.626 5.522 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.779 -4.719 6.515 1.00 0.00 C ATOM 0 H VAL A 73 -5.282 -4.263 3.198 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.630 -2.947 4.554 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.563 -5.492 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.888 -6.602 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.108 -5.756 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.084 -5.038 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.983 -5.695 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.199 -4.119 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.721 -4.215 6.299 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.160 -1.783 6.201 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.233 -0.993 7.057 1.00 0.00 C ATOM 1183 C VAL A 74 -4.919 -1.767 8.337 1.00 0.00 C ATOM 1184 O VAL A 74 -5.800 -2.120 9.093 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.888 0.346 7.398 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.868 1.253 8.089 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.356 1.014 6.102 1.00 0.00 C ATOM 0 H VAL A 74 -7.137 -1.493 6.236 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.300 -0.815 6.522 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.737 0.181 8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.335 2.207 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.519 0.776 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.022 1.422 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.825 1.970 6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.500 1.179 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.077 0.369 5.600 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.660 -2.030 8.583 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.269 -2.783 9.814 1.00 0.00 C ATOM 1199 C GLY A 75 -2.891 -1.793 10.915 1.00 0.00 C ATOM 1200 O GLY A 75 -2.790 -0.603 10.685 1.00 0.00 O ATOM 0 H GLY A 75 -2.883 -1.755 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.094 -3.415 10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.429 -3.443 9.599 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.682 -2.277 12.110 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.315 -1.382 13.248 1.00 0.00 C ATOM 1206 C GLU A 76 -0.843 -1.578 13.595 1.00 0.00 C ATOM 1207 O GLU A 76 -0.427 -2.656 13.967 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.169 -1.745 14.463 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.649 -1.443 14.170 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.271 -2.592 13.368 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.545 -3.502 13.007 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.469 -2.546 13.143 1.00 0.00 O ATOM 0 H GLU A 76 -2.751 -3.266 12.350 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.488 -0.343 12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.045 -2.801 14.704 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.838 -1.178 15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.192 -1.306 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.735 -0.511 13.611 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.054 -0.538 13.483 1.00 0.00 N ATOM 1220 CA TYR A 77 1.401 -0.641 13.814 1.00 0.00 C ATOM 1221 C TYR A 77 1.710 0.318 14.964 1.00 0.00 C ATOM 1222 O TYR A 77 1.727 1.521 14.797 1.00 0.00 O ATOM 1223 CB TYR A 77 2.228 -0.263 12.581 1.00 0.00 C ATOM 1224 CG TYR A 77 3.678 -0.566 12.847 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.184 -1.845 12.585 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.516 0.428 13.361 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.532 -2.128 12.838 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.862 0.145 13.614 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.370 -1.133 13.353 1.00 0.00 C ATOM 1230 OH TYR A 77 7.697 -1.412 13.604 1.00 0.00 O ATOM 0 H TYR A 77 -0.358 0.385 13.174 1.00 0.00 H new ATOM 0 HA TYR A 77 1.650 -1.660 14.110 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.881 -0.820 11.711 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.101 0.795 12.353 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.536 -2.612 12.188 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.124 1.414 13.563 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.924 -3.114 12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.510 0.913 14.011 1.00 0.00 H new ATOM 0 HH TYR A 77 8.138 -0.612 13.958 1.00 0.00 H new ATOM 1240 N ASN A 78 1.941 -0.210 16.137 1.00 0.00 N ATOM 1241 CA ASN A 78 2.237 0.657 17.317 1.00 0.00 C ATOM 1242 C ASN A 78 1.263 1.840 17.354 1.00 0.00 C ATOM 1243 O ASN A 78 0.063 1.664 17.328 1.00 0.00 O ATOM 1244 CB ASN A 78 3.671 1.177 17.220 1.00 0.00 C ATOM 1245 CG ASN A 78 4.647 0.018 17.412 1.00 0.00 C ATOM 1246 OD1 ASN A 78 4.282 -1.025 17.918 1.00 0.00 O ATOM 1247 ND2 ASN A 78 5.886 0.160 17.030 1.00 0.00 N ATOM 0 H ASN A 78 1.937 -1.212 16.330 1.00 0.00 H new ATOM 0 HA ASN A 78 2.122 0.072 18.229 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.834 1.647 16.250 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.844 1.941 17.978 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.549 -0.605 17.156 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.192 1.036 16.605 1.00 0.00 H new ATOM 1254 N ASP A 79 1.774 3.044 17.410 1.00 0.00 N ATOM 1255 CA ASP A 79 0.894 4.247 17.446 1.00 0.00 C ATOM 1256 C ASP A 79 0.716 4.775 16.025 1.00 0.00 C ATOM 1257 O ASP A 79 -0.035 5.698 15.784 1.00 0.00 O ATOM 1258 CB ASP A 79 1.554 5.324 18.310 1.00 0.00 C ATOM 1259 CG ASP A 79 1.720 4.799 19.737 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.728 4.379 20.311 1.00 0.00 O ATOM 1261 OD2 ASP A 79 2.834 4.826 20.232 1.00 0.00 O ATOM 0 H ASP A 79 2.774 3.245 17.432 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.078 3.986 17.865 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.525 5.594 17.895 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.945 6.228 18.312 1.00 0.00 H new ATOM 1266 N ARG A 80 1.413 4.193 15.082 1.00 0.00 N ATOM 1267 CA ARG A 80 1.310 4.645 13.663 1.00 0.00 C ATOM 1268 C ARG A 80 0.386 3.706 12.889 1.00 0.00 C ATOM 1269 O ARG A 80 0.046 2.630 13.342 1.00 0.00 O ATOM 1270 CB ARG A 80 2.699 4.637 13.019 1.00 0.00 C ATOM 1271 CG ARG A 80 3.548 5.757 13.624 1.00 0.00 C ATOM 1272 CD ARG A 80 4.936 5.751 12.981 1.00 0.00 C ATOM 1273 NE ARG A 80 5.674 4.532 13.415 1.00 0.00 N ATOM 1274 CZ ARG A 80 6.876 4.300 12.960 1.00 0.00 C ATOM 1275 NH1 ARG A 80 7.427 5.125 12.107 1.00 0.00 N ATOM 1276 NH2 ARG A 80 7.528 3.240 13.355 1.00 0.00 N ATOM 0 H ARG A 80 2.055 3.416 15.238 1.00 0.00 H new ATOM 0 HA ARG A 80 0.903 5.656 13.637 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.181 3.673 13.181 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.613 4.773 11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.065 6.721 13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.635 5.620 14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.846 5.768 11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.487 6.646 13.270 1.00 0.00 H new ATOM 0 HE ARG A 80 5.241 3.879 14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.918 5.952 11.796 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.366 4.941 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.098 2.595 14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.467 3.057 13.001 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.028 4.114 11.719 1.00 0.00 N ATOM 1291 CA PHE A 81 -0.941 3.272 10.890 1.00 0.00 C ATOM 1292 C PHE A 81 -0.142 2.582 9.791 1.00 0.00 C ATOM 1293 O PHE A 81 0.867 3.082 9.341 1.00 0.00 O ATOM 1294 CB PHE A 81 -1.999 4.173 10.255 1.00 0.00 C ATOM 1295 CG PHE A 81 -2.969 4.612 11.320 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.059 3.800 11.644 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -2.774 5.827 11.987 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.958 4.201 12.637 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.674 6.229 12.981 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.767 5.415 13.305 1.00 0.00 C ATOM 0 H PHE A 81 0.231 5.006 11.297 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.418 2.518 11.516 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.527 5.041 9.794 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.524 3.638 9.464 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.207 2.863 11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.931 6.453 11.735 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.800 3.573 12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.526 7.166 13.498 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.463 5.725 14.071 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.581 1.428 9.360 1.00 0.00 N ATOM 1311 CA GLN A 82 0.153 0.687 8.286 1.00 0.00 C ATOM 1312 C GLN A 82 -0.845 0.090 7.302 1.00 0.00 C ATOM 1313 O GLN A 82 -1.992 -0.137 7.627 1.00 0.00 O ATOM 1314 CB GLN A 82 0.976 -0.438 8.918 1.00 0.00 C ATOM 1315 CG GLN A 82 1.628 -1.279 7.815 1.00 0.00 C ATOM 1316 CD GLN A 82 2.645 -2.235 8.433 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.547 -3.514 8.195 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 3.536 -1.816 9.145 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.420 0.963 9.706 1.00 0.00 H new ATOM 0 HA GLN A 82 0.814 1.375 7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.742 -0.019 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.337 -1.066 9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.867 -1.842 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.118 -0.629 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.613 -0.816 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.207 -2.464 9.557 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.406 -0.179 6.097 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.306 -0.784 5.066 1.00 0.00 C ATOM 1329 C VAL A 83 -0.795 -2.186 4.744 1.00 0.00 C ATOM 1330 O VAL A 83 0.382 -2.395 4.515 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.312 0.089 3.808 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.197 1.316 4.044 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.113 0.547 3.501 1.00 0.00 C ATOM 0 H VAL A 83 0.548 -0.003 5.780 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.327 -0.845 5.442 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.701 -0.487 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.202 1.938 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.214 0.994 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.806 1.891 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.110 1.169 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.499 1.123 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.748 -0.324 3.336 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.672 -3.155 4.762 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.262 -4.567 4.497 1.00 0.00 C ATOM 1345 C GLN A 84 -1.805 -5.025 3.149 1.00 0.00 C ATOM 1346 O GLN A 84 -2.964 -4.845 2.844 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.835 -5.451 5.602 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.165 -5.083 6.924 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.750 -5.924 8.055 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.565 -6.796 7.824 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.366 -5.695 9.280 1.00 0.00 N ATOM 0 H GLN A 84 -2.666 -3.027 4.951 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.174 -4.638 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.914 -5.313 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.663 -6.502 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.090 -5.248 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.312 -4.023 7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.682 -4.963 9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.750 -6.248 10.046 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.971 -5.628 2.343 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.421 -6.120 1.006 1.00 0.00 C ATOM 1362 C VAL A 85 -1.577 -7.638 1.064 1.00 0.00 C ATOM 1363 O VAL A 85 -0.675 -8.348 1.458 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.373 -5.744 -0.044 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.978 -5.875 -1.443 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.069 -4.296 0.184 1.00 0.00 C ATOM 0 H VAL A 85 0.011 -5.802 2.555 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.376 -5.667 0.739 1.00 0.00 H new ATOM 0 HB VAL A 85 0.485 -6.410 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.230 -5.607 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.300 -6.904 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.835 -5.208 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.816 -4.022 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.793 -3.634 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.499 -4.199 1.181 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.718 -8.144 0.680 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.937 -9.622 0.717 1.00 0.00 C ATOM 1378 C ASN A 86 -3.836 -10.034 -0.446 1.00 0.00 C ATOM 1379 O ASN A 86 -4.196 -9.230 -1.281 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.590 -10.020 2.044 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.775 -9.099 2.335 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.305 -8.409 1.363 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -5.227 -9.009 3.459 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.510 -7.598 0.341 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.976 -10.130 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.926 -11.056 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.861 -9.956 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.813 -9.548 4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.020 -8.394 3.642 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.179 -11.293 -0.508 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.037 -11.814 -1.616 1.00 0.00 C ATOM 1392 C LYS A 87 -6.126 -10.808 -2.007 1.00 0.00 C ATOM 1393 O LYS A 87 -6.450 -9.903 -1.266 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.693 -13.116 -1.162 1.00 0.00 C ATOM 1395 CG LYS A 87 -6.635 -12.838 0.015 1.00 0.00 C ATOM 1396 CD LYS A 87 -7.165 -14.162 0.579 1.00 0.00 C ATOM 1397 CE LYS A 87 -8.115 -14.824 -0.424 1.00 0.00 C ATOM 1398 NZ LYS A 87 -8.895 -15.891 0.267 1.00 0.00 N ATOM 0 H LYS A 87 -3.896 -11.996 0.175 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.406 -11.983 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.248 -13.561 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.929 -13.835 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.107 -12.286 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.466 -12.213 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.333 -14.831 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.686 -13.982 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.790 -14.081 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.549 -15.250 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.541 -16.343 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.243 -16.604 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.446 -15.471 1.043 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.680 -10.972 -3.182 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.747 -10.051 -3.676 1.00 0.00 C ATOM 1414 C ASN A 88 -7.142 -8.679 -3.971 1.00 0.00 C ATOM 1415 O ASN A 88 -7.673 -7.915 -4.752 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.857 -9.911 -2.621 1.00 0.00 C ATOM 1417 CG ASN A 88 -10.161 -9.474 -3.296 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.903 -10.295 -3.803 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.472 -8.207 -3.326 1.00 0.00 N ATOM 0 H ASN A 88 -6.433 -11.719 -3.831 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.177 -10.463 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.004 -10.860 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.565 -9.181 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.337 -7.905 -3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.850 -7.519 -2.901 1.00 0.00 H new ATOM 1426 N SER A 89 -6.040 -8.356 -3.354 1.00 0.00 N ATOM 1427 CA SER A 89 -5.411 -7.032 -3.599 1.00 0.00 C ATOM 1428 C SER A 89 -4.655 -7.055 -4.921 1.00 0.00 C ATOM 1429 O SER A 89 -4.246 -8.094 -5.396 1.00 0.00 O ATOM 1430 CB SER A 89 -4.435 -6.713 -2.470 1.00 0.00 C ATOM 1431 OG SER A 89 -4.050 -5.348 -2.560 1.00 0.00 O ATOM 0 H SER A 89 -5.548 -8.954 -2.690 1.00 0.00 H new ATOM 0 HA SER A 89 -6.190 -6.270 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.900 -6.910 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.558 -7.356 -2.538 1.00 0.00 H new ATOM 0 HG SER A 89 -4.798 -4.819 -2.908 1.00 0.00 H new ATOM 1437 N SER A 90 -4.462 -5.909 -5.519 1.00 0.00 N ATOM 1438 CA SER A 90 -3.720 -5.847 -6.816 1.00 0.00 C ATOM 1439 C SER A 90 -2.832 -4.607 -6.820 1.00 0.00 C ATOM 1440 O SER A 90 -3.104 -3.638 -6.141 1.00 0.00 O ATOM 1441 CB SER A 90 -4.712 -5.760 -7.974 1.00 0.00 C ATOM 1442 OG SER A 90 -5.629 -4.703 -7.729 1.00 0.00 O ATOM 0 H SER A 90 -4.787 -5.009 -5.165 1.00 0.00 H new ATOM 0 HA SER A 90 -3.110 -6.743 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.181 -5.587 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.247 -6.704 -8.081 1.00 0.00 H new ATOM 0 HG SER A 90 -6.528 -4.979 -8.005 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.770 -4.633 -7.584 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.842 -3.460 -7.652 1.00 0.00 C ATOM 1450 C ILE A 91 -0.593 -3.110 -9.113 1.00 0.00 C ATOM 1451 O ILE A 91 -0.320 -3.974 -9.921 1.00 0.00 O ATOM 1452 CB ILE A 91 0.485 -3.817 -6.980 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.233 -4.083 -5.494 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.468 -2.653 -7.144 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.493 -4.662 -4.850 1.00 0.00 C ATOM 0 H ILE A 91 -1.502 -5.424 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.287 -2.608 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 91 0.910 -4.708 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.050 -3.158 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.599 -4.777 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.414 -2.906 -6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.636 -2.465 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.054 -1.759 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.308 -4.849 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.757 -5.597 -5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.314 -3.953 -4.954 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.694 -1.850 -9.466 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.471 -1.443 -10.894 1.00 0.00 C ATOM 1469 C GLU A 92 0.677 -0.437 -10.958 1.00 0.00 C ATOM 1470 O GLU A 92 0.812 0.419 -10.108 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.743 -0.796 -11.435 1.00 0.00 C ATOM 1472 CG GLU A 92 -2.906 -1.771 -11.262 1.00 0.00 C ATOM 1473 CD GLU A 92 -4.169 -1.180 -11.886 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -4.072 -0.118 -12.478 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -5.210 -1.800 -11.761 1.00 0.00 O ATOM 0 H GLU A 92 -0.921 -1.086 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.222 -2.319 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.948 0.134 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.618 -0.541 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.667 -2.724 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.071 -1.971 -10.203 1.00 0.00 H new ATOM 1482 N LYS A 93 1.512 -0.535 -11.958 1.00 0.00 N ATOM 1483 CA LYS A 93 2.656 0.415 -12.071 1.00 0.00 C ATOM 1484 C LYS A 93 2.183 1.693 -12.755 1.00 0.00 C ATOM 1485 O LYS A 93 1.668 1.665 -13.853 1.00 0.00 O ATOM 1486 CB LYS A 93 3.768 -0.227 -12.897 1.00 0.00 C ATOM 1487 CG LYS A 93 4.977 0.712 -12.946 1.00 0.00 C ATOM 1488 CD LYS A 93 6.106 0.073 -13.763 1.00 0.00 C ATOM 1489 CE LYS A 93 6.813 -1.019 -12.948 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.082 -1.394 -13.634 1.00 0.00 N ATOM 0 H LYS A 93 1.451 -1.231 -12.701 1.00 0.00 H new ATOM 0 HA LYS A 93 3.035 0.653 -11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.055 -1.183 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.413 -0.432 -13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.690 1.665 -13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.324 0.924 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.701 -0.355 -14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.825 0.837 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.022 -0.660 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.167 -1.891 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.567 -2.134 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.869 -1.751 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.697 -0.559 -13.707 1.00 0.00 H new ATOM 1504 N LEU A 94 2.348 2.815 -12.111 1.00 0.00 N ATOM 1505 CA LEU A 94 1.898 4.105 -12.714 1.00 0.00 C ATOM 1506 C LEU A 94 3.077 4.797 -13.395 1.00 0.00 C ATOM 1507 O LEU A 94 4.170 4.864 -12.870 1.00 0.00 O ATOM 1508 CB LEU A 94 1.331 5.001 -11.605 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.125 4.607 -11.295 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.059 5.003 -12.457 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.201 3.092 -11.061 1.00 0.00 C ATOM 0 H LEU A 94 2.777 2.896 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 94 1.127 3.915 -13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.940 4.908 -10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.375 6.046 -11.913 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.449 5.137 -10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.082 4.715 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.012 6.081 -12.610 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.744 4.493 -13.367 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.230 2.809 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.136 2.568 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.437 2.821 -10.220 1.00 0.00 H new ATOM 1523 N SER A 95 2.848 5.325 -14.563 1.00 0.00 N ATOM 1524 CA SER A 95 3.925 6.033 -15.301 1.00 0.00 C ATOM 1525 C SER A 95 3.975 7.486 -14.827 1.00 0.00 C ATOM 1526 O SER A 95 4.793 8.266 -15.274 1.00 0.00 O ATOM 1527 CB SER A 95 3.618 5.992 -16.796 1.00 0.00 C ATOM 1528 OG SER A 95 2.445 6.754 -17.054 1.00 0.00 O ATOM 0 H SER A 95 1.948 5.295 -15.043 1.00 0.00 H new ATOM 0 HA SER A 95 4.886 5.553 -15.116 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.458 6.393 -17.363 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.476 4.962 -17.122 1.00 0.00 H new ATOM 0 HG SER A 95 2.245 6.732 -18.013 1.00 0.00 H new ATOM 1534 N GLU A 96 3.097 7.852 -13.923 1.00 0.00 N ATOM 1535 CA GLU A 96 3.066 9.256 -13.401 1.00 0.00 C ATOM 1536 C GLU A 96 3.584 9.271 -11.950 1.00 0.00 C ATOM 1537 O GLU A 96 2.853 8.946 -11.032 1.00 0.00 O ATOM 1538 CB GLU A 96 1.619 9.756 -13.432 1.00 0.00 C ATOM 1539 CG GLU A 96 1.120 9.733 -14.875 1.00 0.00 C ATOM 1540 CD GLU A 96 1.868 10.791 -15.686 1.00 0.00 C ATOM 1541 OE1 GLU A 96 1.610 11.964 -15.475 1.00 0.00 O ATOM 1542 OE2 GLU A 96 2.692 10.410 -16.502 1.00 0.00 O ATOM 0 H GLU A 96 2.394 7.232 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 96 3.696 9.900 -14.015 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.989 9.126 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.561 10.767 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.277 8.746 -15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.048 9.927 -14.904 1.00 0.00 H new ATOM 1549 N PRO A 97 4.840 9.619 -11.730 1.00 0.00 N ATOM 1550 CA PRO A 97 5.427 9.634 -10.359 1.00 0.00 C ATOM 1551 C PRO A 97 4.940 10.820 -9.519 1.00 0.00 C ATOM 1552 O PRO A 97 4.546 11.842 -10.040 1.00 0.00 O ATOM 1553 CB PRO A 97 6.945 9.695 -10.602 1.00 0.00 C ATOM 1554 CG PRO A 97 7.117 10.317 -11.958 1.00 0.00 C ATOM 1555 CD PRO A 97 5.825 10.046 -12.749 1.00 0.00 C ATOM 0 HA PRO A 97 5.127 8.759 -9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.441 10.289 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.387 8.699 -10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.297 11.388 -11.870 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.979 9.890 -12.471 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.488 10.940 -13.275 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.977 9.272 -13.501 1.00 0.00 H new ATOM 1563 N ILE A 98 4.970 10.682 -8.217 1.00 0.00 N ATOM 1564 CA ILE A 98 4.515 11.785 -7.314 1.00 0.00 C ATOM 1565 C ILE A 98 5.743 12.490 -6.737 1.00 0.00 C ATOM 1566 O ILE A 98 6.606 11.873 -6.147 1.00 0.00 O ATOM 1567 CB ILE A 98 3.664 11.182 -6.193 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.449 10.494 -6.821 1.00 0.00 C ATOM 1569 CG2 ILE A 98 3.198 12.281 -5.238 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.692 9.701 -5.758 1.00 0.00 C ATOM 0 H ILE A 98 5.294 9.843 -7.736 1.00 0.00 H new ATOM 0 HA ILE A 98 3.917 12.512 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 98 4.255 10.460 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.791 11.238 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.771 9.829 -7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.594 11.841 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.066 12.776 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.602 13.011 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.829 9.215 -6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.351 8.945 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.355 10.376 -4.971 1.00 0.00 H new ATOM 1582 N GLU A 99 5.838 13.778 -6.929 1.00 0.00 N ATOM 1583 CA GLU A 99 7.023 14.533 -6.424 1.00 0.00 C ATOM 1584 C GLU A 99 6.795 14.980 -4.978 1.00 0.00 C ATOM 1585 O GLU A 99 5.821 15.633 -4.669 1.00 0.00 O ATOM 1586 CB GLU A 99 7.242 15.753 -7.318 1.00 0.00 C ATOM 1587 CG GLU A 99 7.718 15.284 -8.695 1.00 0.00 C ATOM 1588 CD GLU A 99 7.864 16.485 -9.632 1.00 0.00 C ATOM 1589 OE1 GLU A 99 7.574 17.588 -9.200 1.00 0.00 O ATOM 1590 OE2 GLU A 99 8.264 16.280 -10.765 1.00 0.00 O ATOM 0 H GLU A 99 5.143 14.343 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 99 7.903 13.890 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.316 16.321 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.980 16.419 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.672 14.766 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.007 14.571 -9.112 1.00 0.00 H new ATOM 1597 N VAL A 100 7.700 14.633 -4.093 1.00 0.00 N ATOM 1598 CA VAL A 100 7.562 15.031 -2.654 1.00 0.00 C ATOM 1599 C VAL A 100 8.619 16.086 -2.313 1.00 0.00 C ATOM 1600 O VAL A 100 8.715 16.540 -1.190 1.00 0.00 O ATOM 1601 CB VAL A 100 7.763 13.800 -1.762 1.00 0.00 C ATOM 1602 CG1 VAL A 100 6.660 12.778 -2.047 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.124 13.171 -2.057 1.00 0.00 C ATOM 0 H VAL A 100 8.535 14.087 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 100 6.568 15.444 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 100 7.721 14.101 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.802 11.903 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.688 13.224 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.703 12.479 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.266 12.296 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.167 12.871 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.912 13.897 -1.855 1.00 0.00 H new ATOM 1613 N GLY A 101 9.415 16.479 -3.279 1.00 0.00 N ATOM 1614 CA GLY A 101 10.479 17.510 -3.034 1.00 0.00 C ATOM 1615 C GLY A 101 10.350 18.634 -4.064 1.00 0.00 C ATOM 1616 O GLY A 101 11.218 18.833 -4.890 1.00 0.00 O ATOM 0 H GLY A 101 9.374 16.128 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.383 17.914 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.466 17.052 -3.102 1.00 0.00 H new ATOM 1620 N LEU A 102 9.274 19.373 -4.020 1.00 0.00 N ATOM 1621 CA LEU A 102 9.085 20.490 -4.994 1.00 0.00 C ATOM 1622 C LEU A 102 9.751 21.752 -4.440 1.00 0.00 C ATOM 1623 O LEU A 102 9.784 22.783 -5.080 1.00 0.00 O ATOM 1624 CB LEU A 102 7.578 20.747 -5.184 1.00 0.00 C ATOM 1625 CG LEU A 102 7.318 21.454 -6.534 1.00 0.00 C ATOM 1626 CD1 LEU A 102 7.167 20.415 -7.652 1.00 0.00 C ATOM 1627 CD2 LEU A 102 6.028 22.279 -6.446 1.00 0.00 C ATOM 0 H LEU A 102 8.515 19.252 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 102 9.533 20.228 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.034 19.803 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.201 21.361 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 102 8.162 22.107 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.984 20.923 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.081 19.826 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.328 19.756 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.848 22.776 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.190 21.621 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.128 23.028 -5.660 1.00 0.00 H new ATOM 1639 N GLU A 103 10.270 21.681 -3.246 1.00 0.00 N ATOM 1640 CA GLU A 103 10.916 22.876 -2.636 1.00 0.00 C ATOM 1641 C GLU A 103 11.989 23.440 -3.565 1.00 0.00 C ATOM 1642 O GLU A 103 12.788 22.718 -4.126 1.00 0.00 O ATOM 1643 CB GLU A 103 11.551 22.474 -1.303 1.00 0.00 C ATOM 1644 CG GLU A 103 10.454 22.075 -0.311 1.00 0.00 C ATOM 1645 CD GLU A 103 9.587 23.292 0.018 1.00 0.00 C ATOM 1646 OE1 GLU A 103 10.046 24.402 -0.208 1.00 0.00 O ATOM 1647 OE2 GLU A 103 8.476 23.096 0.480 1.00 0.00 O ATOM 0 H GLU A 103 10.274 20.843 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 103 10.161 23.645 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.240 21.643 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.134 23.303 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.838 21.282 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.901 21.678 0.600 1.00 0.00 H new ATOM 1654 N HIS A 104 12.009 24.740 -3.730 1.00 0.00 N ATOM 1655 CA HIS A 104 13.024 25.383 -4.623 1.00 0.00 C ATOM 1656 C HIS A 104 14.174 25.938 -3.777 1.00 0.00 C ATOM 1657 O HIS A 104 14.034 26.936 -3.098 1.00 0.00 O ATOM 1658 CB HIS A 104 12.358 26.521 -5.404 1.00 0.00 C ATOM 1659 CG HIS A 104 11.806 27.547 -4.450 1.00 0.00 C ATOM 1660 ND1 HIS A 104 10.674 27.314 -3.683 1.00 0.00 N ATOM 1661 CD2 HIS A 104 12.207 28.825 -4.141 1.00 0.00 C ATOM 1662 CE1 HIS A 104 10.435 28.425 -2.961 1.00 0.00 C ATOM 1663 NE2 HIS A 104 11.341 29.377 -3.202 1.00 0.00 N ATOM 0 H HIS A 104 11.361 25.388 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 104 13.419 24.645 -5.321 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.082 26.987 -6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.557 26.125 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 104 13.066 29.326 -4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.611 28.533 -2.271 1.00 0.00 H new ATOM 0 HE2 HIS A 104 11.388 30.308 -2.787 1.00 0.00 H new ATOM 1671 N HIS A 105 15.310 25.296 -3.815 1.00 0.00 N ATOM 1672 CA HIS A 105 16.474 25.773 -3.016 1.00 0.00 C ATOM 1673 C HIS A 105 17.093 27.000 -3.687 1.00 0.00 C ATOM 1674 O HIS A 105 16.751 28.125 -3.388 1.00 0.00 O ATOM 1675 CB HIS A 105 17.519 24.656 -2.939 1.00 0.00 C ATOM 1676 CG HIS A 105 18.699 25.127 -2.137 1.00 0.00 C ATOM 1677 ND1 HIS A 105 19.744 25.838 -2.704 1.00 0.00 N ATOM 1678 CD2 HIS A 105 19.012 24.995 -0.808 1.00 0.00 C ATOM 1679 CE1 HIS A 105 20.628 26.107 -1.727 1.00 0.00 C ATOM 1680 NE2 HIS A 105 20.231 25.614 -0.551 1.00 0.00 N ATOM 0 H HIS A 105 15.482 24.457 -4.369 1.00 0.00 H new ATOM 0 HA HIS A 105 16.142 26.041 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.085 23.768 -2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.838 24.372 -3.942 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.405 24.488 -0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.547 26.655 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.717 25.678 0.343 1.00 0.00 H new ATOM 1688 N HIS A 106 18.008 26.785 -4.591 1.00 0.00 N ATOM 1689 CA HIS A 106 18.663 27.922 -5.294 1.00 0.00 C ATOM 1690 C HIS A 106 19.208 27.422 -6.631 1.00 0.00 C ATOM 1691 O HIS A 106 19.578 28.193 -7.492 1.00 0.00 O ATOM 1692 CB HIS A 106 19.807 28.460 -4.432 1.00 0.00 C ATOM 1693 CG HIS A 106 20.356 29.714 -5.055 1.00 0.00 C ATOM 1694 ND1 HIS A 106 21.368 29.684 -5.999 1.00 0.00 N ATOM 1695 CD2 HIS A 106 20.042 31.040 -4.881 1.00 0.00 C ATOM 1696 CE1 HIS A 106 21.627 30.954 -6.357 1.00 0.00 C ATOM 1697 NE2 HIS A 106 20.846 31.821 -5.705 1.00 0.00 N ATOM 0 H HIS A 106 18.333 25.861 -4.875 1.00 0.00 H new ATOM 0 HA HIS A 106 17.944 28.722 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.450 28.668 -3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.594 27.711 -4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 106 19.287 31.418 -4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.375 31.239 -7.083 1.00 0.00 H new ATOM 0 HE2 HIS A 106 20.841 32.837 -5.793 1.00 0.00 H new ATOM 1705 N HIS A 107 19.253 26.128 -6.809 1.00 0.00 N ATOM 1706 CA HIS A 107 19.764 25.562 -8.085 1.00 0.00 C ATOM 1707 C HIS A 107 18.867 26.020 -9.235 1.00 0.00 C ATOM 1708 O HIS A 107 19.341 26.422 -10.277 1.00 0.00 O ATOM 1709 CB HIS A 107 19.753 24.032 -7.997 1.00 0.00 C ATOM 1710 CG HIS A 107 20.364 23.441 -9.239 1.00 0.00 C ATOM 1711 ND1 HIS A 107 19.599 23.065 -10.333 1.00 0.00 N ATOM 1712 CD2 HIS A 107 21.664 23.143 -9.570 1.00 0.00 C ATOM 1713 CE1 HIS A 107 20.436 22.567 -11.261 1.00 0.00 C ATOM 1714 NE2 HIS A 107 21.706 22.591 -10.847 1.00 0.00 N ATOM 0 H HIS A 107 18.955 25.438 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 107 20.782 25.907 -8.263 1.00 0.00 H new ATOM 0 HB2 HIS A 107 20.309 23.706 -7.118 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.730 23.674 -7.879 1.00 0.00 H new ATOM 0 HD1 HIS A 107 18.586 23.150 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 107 22.522 23.311 -8.936 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.120 22.193 -12.224 1.00 0.00 H new ATOM 1722 N HIS A 108 17.569 25.965 -9.057 1.00 0.00 N ATOM 1723 CA HIS A 108 16.642 26.401 -10.144 1.00 0.00 C ATOM 1724 C HIS A 108 15.324 26.882 -9.538 1.00 0.00 C ATOM 1725 O HIS A 108 15.024 26.629 -8.388 1.00 0.00 O ATOM 1726 CB HIS A 108 16.370 25.232 -11.092 1.00 0.00 C ATOM 1727 CG HIS A 108 15.792 24.076 -10.322 1.00 0.00 C ATOM 1728 ND1 HIS A 108 16.571 23.258 -9.520 1.00 0.00 N ATOM 1729 CD2 HIS A 108 14.513 23.584 -10.228 1.00 0.00 C ATOM 1730 CE1 HIS A 108 15.764 22.325 -8.985 1.00 0.00 C ATOM 1731 NE2 HIS A 108 14.498 22.477 -9.384 1.00 0.00 N ATOM 0 H HIS A 108 17.113 25.637 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 108 17.104 27.217 -10.699 1.00 0.00 H new ATOM 0 HB2 HIS A 108 15.679 25.541 -11.876 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.294 24.928 -11.584 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.650 23.994 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.098 21.547 -8.314 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.694 21.905 -9.126 1.00 0.00 H new ATOM 1739 N HIS A 109 14.532 27.580 -10.307 1.00 0.00 N ATOM 1740 CA HIS A 109 13.229 28.083 -9.788 1.00 0.00 C ATOM 1741 C HIS A 109 12.289 28.351 -10.963 1.00 0.00 C ATOM 1742 O HIS A 109 11.831 29.475 -11.083 1.00 0.00 O ATOM 1743 CB HIS A 109 13.451 29.380 -9.006 1.00 0.00 C ATOM 1744 CG HIS A 109 12.132 29.888 -8.491 1.00 0.00 C ATOM 1745 ND1 HIS A 109 11.445 29.257 -7.465 1.00 0.00 N ATOM 1746 CD2 HIS A 109 11.361 30.967 -8.850 1.00 0.00 C ATOM 1747 CE1 HIS A 109 10.316 29.957 -7.243 1.00 0.00 C ATOM 1748 NE2 HIS A 109 10.216 31.009 -8.060 1.00 0.00 N ATOM 1749 OXT HIS A 109 12.048 27.431 -11.725 1.00 0.00 O ATOM 0 H HIS A 109 14.733 27.824 -11.277 1.00 0.00 H new ATOM 0 HA HIS A 109 12.788 27.336 -9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 109 14.134 29.204 -8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 109 13.916 30.129 -9.647 1.00 0.00 H new ATOM 0 HD2 HIS A 109 11.606 31.675 -9.628 1.00 0.00 H new ATOM 0 HE1 HIS A 109 9.581 29.699 -6.495 1.00 0.00 H new ATOM 0 HE2 HIS A 109 9.462 31.695 -8.097 1.00 0.00 H new TER 1757 HIS A 109