USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 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= -1.78 K(o=-1.8,f=-4.4!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.0654 X(o=-1.8,f=-1.8) USER MOD Set 2.1: A 36 SER OG : rot -51:sc= 1.08 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 142:sc= 0.298 (180deg=-2.86!) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.176 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.106 (180deg=-0.629) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 THR OG1 : rot -170:sc=-0.00975 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -6.51! C(o=-6.5!,f=-2.5!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -3.61! C(o=-3.6!,f=-7.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.76) USER MOD Single : A 30 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.033) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.33) USER MOD Single : A 45 THR OG1 : rot -100:sc= -2.02 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= -4.07! (180deg=-4.25!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.51) USER MOD Single : A 63 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.84) USER MOD Single : A 66 SER OG : rot -167:sc= 0.171 USER MOD Single : A 67 TYR OH : rot 120:sc= 0.285 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.5!) USER MOD Single : A 82 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.41) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 86 ASN : amide:sc= -0.74 X(o=-0.74,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= -0.762 (180deg=-2.33!) USER MOD Single : A 88 ASN : amide:sc= -0.985 K(o=-0.98,f=-0.11) USER MOD Single : A 89 SER OG : rot 12:sc= -0.825! USER MOD Single : A 90 SER OG : rot 180:sc= -0.251 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 106 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 107 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.45) USER MOD Single : A 108 HIS : no HD1:sc= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 109 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.320 13.999 -17.708 1.00 0.00 N ATOM 2 CA MET A 1 -11.639 13.156 -16.523 1.00 0.00 C ATOM 3 C MET A 1 -10.334 12.714 -15.861 1.00 0.00 C ATOM 4 O MET A 1 -9.733 11.726 -16.236 1.00 0.00 O ATOM 5 CB MET A 1 -12.439 11.931 -16.976 1.00 0.00 C ATOM 6 CG MET A 1 -13.764 12.380 -17.601 1.00 0.00 C ATOM 7 SD MET A 1 -14.778 13.227 -16.360 1.00 0.00 S ATOM 8 CE MET A 1 -15.077 11.801 -15.284 1.00 0.00 C ATOM 0 H1 MET A 1 -12.170 14.521 -18.002 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.568 14.673 -17.462 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.999 13.392 -18.489 1.00 0.00 H new ATOM 0 HA MET A 1 -12.232 13.724 -15.807 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.862 11.355 -17.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.630 11.275 -16.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.572 13.046 -18.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.301 11.517 -17.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.043 11.913 -14.792 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.077 10.889 -15.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.291 11.742 -14.531 1.00 0.00 H new ATOM 20 N GLU A 2 -9.884 13.453 -14.882 1.00 0.00 N ATOM 21 CA GLU A 2 -8.606 13.106 -14.187 1.00 0.00 C ATOM 22 C GLU A 2 -8.905 12.198 -12.981 1.00 0.00 C ATOM 23 O GLU A 2 -9.995 12.209 -12.446 1.00 0.00 O ATOM 24 CB GLU A 2 -7.925 14.408 -13.710 1.00 0.00 C ATOM 25 CG GLU A 2 -8.985 15.490 -13.461 1.00 0.00 C ATOM 26 CD GLU A 2 -9.441 16.086 -14.797 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.933 15.656 -15.820 1.00 0.00 O ATOM 28 OE2 GLU A 2 -10.290 16.961 -14.774 1.00 0.00 O ATOM 0 H GLU A 2 -10.350 14.289 -14.530 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.943 12.577 -14.872 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.362 14.221 -12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.211 14.751 -14.459 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.837 15.062 -12.933 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.576 16.274 -12.823 1.00 0.00 H new ATOM 35 N PRO A 3 -7.934 11.427 -12.550 1.00 0.00 N ATOM 36 CA PRO A 3 -8.093 10.512 -11.382 1.00 0.00 C ATOM 37 C PRO A 3 -8.230 11.284 -10.062 1.00 0.00 C ATOM 38 O PRO A 3 -7.815 12.421 -9.950 1.00 0.00 O ATOM 39 CB PRO A 3 -6.810 9.664 -11.402 1.00 0.00 C ATOM 40 CG PRO A 3 -5.798 10.515 -12.101 1.00 0.00 C ATOM 41 CD PRO A 3 -6.578 11.338 -13.127 1.00 0.00 C ATOM 0 HA PRO A 3 -9.000 9.911 -11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.486 9.414 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.967 8.723 -11.929 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.278 11.163 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.041 9.901 -12.588 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.137 12.325 -13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.590 10.853 -14.103 1.00 0.00 H new ATOM 49 N GLN A 4 -8.812 10.672 -9.068 1.00 0.00 N ATOM 50 CA GLN A 4 -8.983 11.364 -7.759 1.00 0.00 C ATOM 51 C GLN A 4 -7.686 11.274 -6.954 1.00 0.00 C ATOM 52 O GLN A 4 -7.227 10.202 -6.613 1.00 0.00 O ATOM 53 CB GLN A 4 -10.117 10.691 -6.982 1.00 0.00 C ATOM 54 CG GLN A 4 -10.353 11.426 -5.662 1.00 0.00 C ATOM 55 CD GLN A 4 -11.514 10.769 -4.915 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.305 10.056 -5.502 1.00 0.00 O ATOM 57 NE2 GLN A 4 -11.650 10.976 -3.634 1.00 0.00 N ATOM 0 H GLN A 4 -9.177 9.720 -9.106 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.225 12.413 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.030 10.694 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.867 9.648 -6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.451 11.398 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.576 12.476 -5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.987 11.574 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.419 10.540 -3.126 1.00 0.00 H new ATOM 66 N LEU A 5 -7.087 12.394 -6.655 1.00 0.00 N ATOM 67 CA LEU A 5 -5.815 12.380 -5.878 1.00 0.00 C ATOM 68 C LEU A 5 -6.128 12.392 -4.384 1.00 0.00 C ATOM 69 O LEU A 5 -6.880 13.213 -3.900 1.00 0.00 O ATOM 70 CB LEU A 5 -4.986 13.625 -6.246 1.00 0.00 C ATOM 71 CG LEU A 5 -4.202 13.380 -7.547 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.047 12.386 -7.308 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.151 12.823 -8.616 1.00 0.00 C ATOM 0 H LEU A 5 -7.424 13.321 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.248 11.480 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.644 14.486 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.296 13.863 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.779 14.326 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.505 12.227 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.367 12.791 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.451 11.437 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.598 12.649 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.580 11.884 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.950 13.540 -8.802 1.00 0.00 H new ATOM 85 N THR A 6 -5.547 11.475 -3.653 1.00 0.00 N ATOM 86 CA THR A 6 -5.785 11.399 -2.179 1.00 0.00 C ATOM 87 C THR A 6 -4.444 11.450 -1.455 1.00 0.00 C ATOM 88 O THR A 6 -3.447 10.955 -1.939 1.00 0.00 O ATOM 89 CB THR A 6 -6.499 10.091 -1.846 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.727 10.033 -2.559 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.776 10.031 -0.344 1.00 0.00 C ATOM 0 H THR A 6 -4.910 10.767 -4.019 1.00 0.00 H new ATOM 0 HA THR A 6 -6.405 12.237 -1.861 1.00 0.00 H new ATOM 0 HB THR A 6 -5.871 9.247 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.260 9.278 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.286 9.098 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.834 10.080 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.406 10.873 -0.056 1.00 0.00 H new ATOM 99 N LYS A 7 -4.406 12.060 -0.301 1.00 0.00 N ATOM 100 CA LYS A 7 -3.126 12.164 0.457 1.00 0.00 C ATOM 101 C LYS A 7 -3.052 11.066 1.520 1.00 0.00 C ATOM 102 O LYS A 7 -4.035 10.712 2.135 1.00 0.00 O ATOM 103 CB LYS A 7 -3.069 13.530 1.152 1.00 0.00 C ATOM 104 CG LYS A 7 -3.286 14.664 0.120 1.00 0.00 C ATOM 105 CD LYS A 7 -4.762 15.085 0.101 1.00 0.00 C ATOM 106 CE LYS A 7 -4.956 16.222 -0.904 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.387 16.635 -0.919 1.00 0.00 N ATOM 0 H LYS A 7 -5.211 12.493 0.152 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.291 12.052 -0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.832 13.584 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.105 13.656 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.659 15.520 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.983 14.327 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.390 14.236 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.072 15.407 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.325 17.069 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.650 15.898 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.518 17.408 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.979 15.825 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.664 16.960 0.029 1.00 0.00 H new ATOM 121 N ILE A 8 -1.887 10.527 1.730 1.00 0.00 N ATOM 122 CA ILE A 8 -1.725 9.452 2.751 1.00 0.00 C ATOM 123 C ILE A 8 -2.293 9.924 4.094 1.00 0.00 C ATOM 124 O ILE A 8 -2.917 9.173 4.816 1.00 0.00 O ATOM 125 CB ILE A 8 -0.230 9.137 2.904 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.569 10.442 2.892 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.233 8.252 1.746 1.00 0.00 C ATOM 128 CD1 ILE A 8 2.020 10.154 3.270 1.00 0.00 C ATOM 0 H ILE A 8 -1.032 10.785 1.236 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.262 8.558 2.435 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.068 8.615 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.523 10.900 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.134 11.154 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.294 8.031 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.334 7.321 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.069 8.772 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.590 11.083 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.056 9.715 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.452 9.457 2.551 1.00 0.00 H new ATOM 140 N VAL A 9 -2.077 11.162 4.426 1.00 0.00 N ATOM 141 CA VAL A 9 -2.595 11.701 5.714 1.00 0.00 C ATOM 142 C VAL A 9 -4.122 11.825 5.640 1.00 0.00 C ATOM 143 O VAL A 9 -4.790 12.035 6.632 1.00 0.00 O ATOM 144 CB VAL A 9 -1.974 13.076 5.968 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.476 14.070 4.915 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.365 13.564 7.364 1.00 0.00 C ATOM 0 H VAL A 9 -1.559 11.831 3.857 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.331 11.027 6.529 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.889 13.000 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.032 15.049 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.192 13.723 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.562 14.147 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.922 14.544 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.450 13.638 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.001 12.858 8.111 1.00 0.00 H new ATOM 156 N ASP A 10 -4.676 11.698 4.462 1.00 0.00 N ATOM 157 CA ASP A 10 -6.159 11.804 4.298 1.00 0.00 C ATOM 158 C ASP A 10 -6.775 10.402 4.275 1.00 0.00 C ATOM 159 O ASP A 10 -7.960 10.238 4.059 1.00 0.00 O ATOM 160 CB ASP A 10 -6.465 12.515 2.977 1.00 0.00 C ATOM 161 CG ASP A 10 -7.973 12.740 2.847 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.667 12.564 3.835 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.408 13.088 1.762 1.00 0.00 O ATOM 0 H ASP A 10 -4.161 11.524 3.599 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.580 12.369 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.941 13.470 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.104 11.918 2.140 1.00 0.00 H new ATOM 168 N ILE A 11 -5.981 9.387 4.498 1.00 0.00 N ATOM 169 CA ILE A 11 -6.518 7.993 4.492 1.00 0.00 C ATOM 170 C ILE A 11 -7.023 7.622 5.888 1.00 0.00 C ATOM 171 O ILE A 11 -6.292 7.675 6.857 1.00 0.00 O ATOM 172 CB ILE A 11 -5.408 7.018 4.080 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.011 7.293 2.627 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.906 5.574 4.217 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.789 6.448 2.253 1.00 0.00 C ATOM 0 H ILE A 11 -4.981 9.463 4.685 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.343 7.933 3.782 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.543 7.156 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.843 7.059 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.786 8.352 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.113 4.886 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.187 5.383 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.773 5.425 3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.511 6.648 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.956 6.703 2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.029 5.391 2.366 1.00 0.00 H new ATOM 187 N VAL A 12 -8.265 7.230 5.998 1.00 0.00 N ATOM 188 CA VAL A 12 -8.817 6.835 7.331 1.00 0.00 C ATOM 189 C VAL A 12 -9.880 5.747 7.141 1.00 0.00 C ATOM 190 O VAL A 12 -10.571 5.372 8.068 1.00 0.00 O ATOM 191 CB VAL A 12 -9.426 8.054 8.028 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.310 9.027 8.418 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.403 8.757 7.084 1.00 0.00 C ATOM 0 H VAL A 12 -8.924 7.166 5.222 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.013 6.444 7.954 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.959 7.728 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.742 9.896 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.615 8.531 9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.778 9.348 7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.833 9.624 7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.874 9.082 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.199 8.067 6.805 1.00 0.00 H new ATOM 203 N GLU A 13 -10.011 5.230 5.943 1.00 0.00 N ATOM 204 CA GLU A 13 -11.019 4.155 5.676 1.00 0.00 C ATOM 205 C GLU A 13 -10.387 3.080 4.786 1.00 0.00 C ATOM 206 O GLU A 13 -9.723 3.376 3.812 1.00 0.00 O ATOM 207 CB GLU A 13 -12.238 4.759 4.973 1.00 0.00 C ATOM 208 CG GLU A 13 -13.308 3.680 4.790 1.00 0.00 C ATOM 209 CD GLU A 13 -14.563 4.301 4.173 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.661 5.517 4.176 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.406 3.550 3.710 1.00 0.00 O ATOM 0 H GLU A 13 -9.458 5.509 5.132 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.335 3.706 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.637 5.586 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.948 5.166 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.930 2.884 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.549 3.226 5.751 1.00 0.00 H new ATOM 218 N ASN A 14 -10.579 1.830 5.123 1.00 0.00 N ATOM 219 CA ASN A 14 -9.986 0.724 4.315 1.00 0.00 C ATOM 220 C ASN A 14 -10.981 0.247 3.253 1.00 0.00 C ATOM 221 O ASN A 14 -12.179 0.367 3.406 1.00 0.00 O ATOM 222 CB ASN A 14 -9.638 -0.438 5.246 1.00 0.00 C ATOM 223 CG ASN A 14 -8.374 -0.099 6.039 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.453 0.409 7.140 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.204 -0.360 5.523 1.00 0.00 N ATOM 0 H ASN A 14 -11.125 1.527 5.929 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.088 1.086 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -10.466 -0.632 5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.483 -1.348 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.356 -0.138 6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.138 -0.786 4.599 1.00 0.00 H new ATOM 232 N GLY A 15 -10.484 -0.298 2.174 1.00 0.00 N ATOM 233 CA GLY A 15 -11.388 -0.789 1.094 1.00 0.00 C ATOM 234 C GLY A 15 -11.796 0.381 0.201 1.00 0.00 C ATOM 235 O GLY A 15 -12.740 0.297 -0.557 1.00 0.00 O ATOM 0 H GLY A 15 -9.488 -0.424 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.884 -1.553 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.273 -1.254 1.529 1.00 0.00 H new ATOM 239 N GLN A 16 -11.089 1.476 0.286 1.00 0.00 N ATOM 240 CA GLN A 16 -11.429 2.663 -0.555 1.00 0.00 C ATOM 241 C GLN A 16 -10.566 2.665 -1.816 1.00 0.00 C ATOM 242 O GLN A 16 -9.427 2.237 -1.800 1.00 0.00 O ATOM 243 CB GLN A 16 -11.172 3.942 0.240 1.00 0.00 C ATOM 244 CG GLN A 16 -11.562 5.153 -0.610 1.00 0.00 C ATOM 245 CD GLN A 16 -11.509 6.419 0.244 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.504 7.099 0.406 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.383 6.768 0.804 1.00 0.00 N ATOM 0 H GLN A 16 -10.287 1.601 0.904 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.481 2.615 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.749 3.931 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.121 4.004 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.885 5.247 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.565 5.018 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.548 6.198 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.338 7.611 1.377 1.00 0.00 H new ATOM 256 N TRP A 17 -11.106 3.147 -2.908 1.00 0.00 N ATOM 257 CA TRP A 17 -10.337 3.192 -4.191 1.00 0.00 C ATOM 258 C TRP A 17 -9.932 4.637 -4.495 1.00 0.00 C ATOM 259 O TRP A 17 -10.738 5.545 -4.438 1.00 0.00 O ATOM 260 CB TRP A 17 -11.220 2.660 -5.319 1.00 0.00 C ATOM 261 CG TRP A 17 -11.441 1.195 -5.119 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.529 0.646 -4.532 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.577 0.085 -5.497 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.385 -0.729 -4.520 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.198 -1.123 -5.104 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.325 0.012 -6.135 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.598 -2.362 -5.336 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.719 -1.234 -6.370 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.355 -2.418 -5.971 1.00 0.00 C ATOM 0 H TRP A 17 -12.056 3.515 -2.966 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.440 2.579 -4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.175 3.186 -5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.746 2.840 -6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.373 1.193 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.072 -1.373 -4.128 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.827 0.919 -6.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.092 -3.271 -5.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.758 -1.280 -6.861 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.884 -3.373 -6.154 1.00 0.00 H new ATOM 280 N ALA A 18 -8.691 4.850 -4.838 1.00 0.00 N ATOM 281 CA ALA A 18 -8.235 6.231 -5.169 1.00 0.00 C ATOM 282 C ALA A 18 -6.933 6.170 -5.972 1.00 0.00 C ATOM 283 O ALA A 18 -6.449 5.110 -6.312 1.00 0.00 O ATOM 284 CB ALA A 18 -8.016 7.026 -3.877 1.00 0.00 C ATOM 0 H ALA A 18 -7.973 4.128 -4.903 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.998 6.727 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.683 8.034 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.951 7.078 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.258 6.531 -3.269 1.00 0.00 H new ATOM 290 N ASN A 19 -6.353 7.314 -6.255 1.00 0.00 N ATOM 291 CA ASN A 19 -5.062 7.363 -7.014 1.00 0.00 C ATOM 292 C ASN A 19 -4.010 8.035 -6.133 1.00 0.00 C ATOM 293 O ASN A 19 -4.302 8.981 -5.425 1.00 0.00 O ATOM 294 CB ASN A 19 -5.250 8.173 -8.297 1.00 0.00 C ATOM 295 CG ASN A 19 -3.891 8.382 -8.970 1.00 0.00 C ATOM 296 OD1 ASN A 19 -3.228 7.434 -9.343 1.00 0.00 O ATOM 297 ND2 ASN A 19 -3.446 9.595 -9.137 1.00 0.00 N ATOM 0 H ASN A 19 -6.724 8.226 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.743 6.354 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.927 7.651 -8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.707 9.136 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.541 9.750 -9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.003 10.390 -8.824 1.00 0.00 H new ATOM 304 N LEU A 20 -2.793 7.547 -6.153 1.00 0.00 N ATOM 305 CA LEU A 20 -1.723 8.149 -5.297 1.00 0.00 C ATOM 306 C LEU A 20 -0.447 8.353 -6.114 1.00 0.00 C ATOM 307 O LEU A 20 -0.149 7.606 -7.024 1.00 0.00 O ATOM 308 CB LEU A 20 -1.428 7.195 -4.131 1.00 0.00 C ATOM 309 CG LEU A 20 -2.561 7.266 -3.086 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.635 5.941 -2.319 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.285 8.403 -2.090 1.00 0.00 C ATOM 0 H LEU A 20 -2.495 6.757 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.061 9.115 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.329 6.175 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.478 7.459 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.504 7.452 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.436 5.992 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.836 5.128 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.687 5.760 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.089 8.447 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.339 8.219 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.231 9.351 -2.626 1.00 0.00 H new ATOM 323 N LYS A 21 0.313 9.361 -5.776 1.00 0.00 N ATOM 324 CA LYS A 21 1.592 9.638 -6.499 1.00 0.00 C ATOM 325 C LYS A 21 2.687 9.887 -5.464 1.00 0.00 C ATOM 326 O LYS A 21 2.538 10.698 -4.571 1.00 0.00 O ATOM 327 CB LYS A 21 1.417 10.874 -7.379 1.00 0.00 C ATOM 328 CG LYS A 21 2.697 11.115 -8.178 1.00 0.00 C ATOM 329 CD LYS A 21 2.471 12.241 -9.193 1.00 0.00 C ATOM 330 CE LYS A 21 2.126 13.542 -8.467 1.00 0.00 C ATOM 331 NZ LYS A 21 2.405 14.695 -9.369 1.00 0.00 N ATOM 0 H LYS A 21 0.100 10.013 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 21 1.864 8.791 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.574 10.736 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.191 11.744 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.513 11.378 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.992 10.201 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.366 12.380 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.664 11.971 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.077 13.541 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.713 13.629 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.172 15.583 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.412 14.697 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.826 14.611 -10.229 1.00 0.00 H new ATOM 345 N ALA A 22 3.781 9.186 -5.566 1.00 0.00 N ATOM 346 CA ALA A 22 4.870 9.382 -4.565 1.00 0.00 C ATOM 347 C ALA A 22 6.204 8.855 -5.093 1.00 0.00 C ATOM 348 O ALA A 22 6.301 8.324 -6.179 1.00 0.00 O ATOM 349 CB ALA A 22 4.507 8.647 -3.271 1.00 0.00 C ATOM 0 H ALA A 22 3.969 8.493 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 22 4.975 10.450 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.301 8.788 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.573 9.046 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.389 7.583 -3.478 1.00 0.00 H new ATOM 355 N LYS A 23 7.235 9.027 -4.307 1.00 0.00 N ATOM 356 CA LYS A 23 8.602 8.566 -4.711 1.00 0.00 C ATOM 357 C LYS A 23 9.014 7.361 -3.870 1.00 0.00 C ATOM 358 O LYS A 23 8.556 7.178 -2.763 1.00 0.00 O ATOM 359 CB LYS A 23 9.599 9.716 -4.519 1.00 0.00 C ATOM 360 CG LYS A 23 10.826 9.497 -5.410 1.00 0.00 C ATOM 361 CD LYS A 23 11.738 10.721 -5.330 1.00 0.00 C ATOM 362 CE LYS A 23 12.980 10.483 -6.185 1.00 0.00 C ATOM 363 NZ LYS A 23 13.853 11.688 -6.138 1.00 0.00 N ATOM 0 H LYS A 23 7.190 9.473 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 23 8.594 8.269 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.124 10.666 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.903 9.774 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.366 8.606 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.515 9.329 -6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.207 11.607 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.025 10.907 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.524 9.612 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.691 10.270 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.699 11.526 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.331 12.509 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.139 11.871 -5.155 1.00 0.00 H new ATOM 377 N VAL A 24 9.868 6.524 -4.402 1.00 0.00 N ATOM 378 CA VAL A 24 10.305 5.311 -3.646 1.00 0.00 C ATOM 379 C VAL A 24 11.548 5.627 -2.807 1.00 0.00 C ATOM 380 O VAL A 24 12.658 5.648 -3.303 1.00 0.00 O ATOM 381 CB VAL A 24 10.627 4.200 -4.646 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.115 2.961 -3.896 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.363 3.854 -5.436 1.00 0.00 C ATOM 0 H VAL A 24 10.282 6.628 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 24 9.507 4.992 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 24 11.407 4.537 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.344 2.170 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.012 3.209 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.337 2.619 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.586 3.062 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.587 3.515 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.015 4.738 -5.970 1.00 0.00 H new ATOM 393 N ILE A 25 11.368 5.873 -1.539 1.00 0.00 N ATOM 394 CA ILE A 25 12.533 6.184 -0.666 1.00 0.00 C ATOM 395 C ILE A 25 13.254 4.893 -0.276 1.00 0.00 C ATOM 396 O ILE A 25 14.437 4.891 0.006 1.00 0.00 O ATOM 397 CB ILE A 25 12.043 6.893 0.593 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.923 6.075 1.242 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.517 8.281 0.222 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.617 6.646 2.626 1.00 0.00 C ATOM 0 H ILE A 25 10.463 5.872 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 25 13.226 6.829 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 25 12.868 6.993 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.029 6.103 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.222 5.030 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.166 8.789 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.317 8.863 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.692 8.181 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.820 6.066 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.512 6.595 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.301 7.685 2.529 1.00 0.00 H new ATOM 412 N GLN A 26 12.555 3.792 -0.263 1.00 0.00 N ATOM 413 CA GLN A 26 13.203 2.504 0.103 1.00 0.00 C ATOM 414 C GLN A 26 12.378 1.343 -0.459 1.00 0.00 C ATOM 415 O GLN A 26 11.170 1.420 -0.565 1.00 0.00 O ATOM 416 CB GLN A 26 13.286 2.387 1.628 1.00 0.00 C ATOM 417 CG GLN A 26 14.087 1.141 2.010 1.00 0.00 C ATOM 418 CD GLN A 26 15.547 1.320 1.588 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.111 2.386 1.741 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.189 0.315 1.056 1.00 0.00 N ATOM 0 H GLN A 26 11.563 3.730 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 26 14.209 2.470 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.759 3.276 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.284 2.330 2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.027 0.973 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.663 0.261 1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.718 -0.580 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.162 0.425 0.770 1.00 0.00 H new ATOM 429 N LEU A 27 13.029 0.270 -0.825 1.00 0.00 N ATOM 430 CA LEU A 27 12.306 -0.915 -1.390 1.00 0.00 C ATOM 431 C LEU A 27 12.814 -2.193 -0.722 1.00 0.00 C ATOM 432 O LEU A 27 13.907 -2.234 -0.192 1.00 0.00 O ATOM 433 CB LEU A 27 12.551 -0.996 -2.906 1.00 0.00 C ATOM 434 CG LEU A 27 13.998 -1.432 -3.212 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.204 -1.459 -4.727 1.00 0.00 C ATOM 436 CD2 LEU A 27 14.995 -0.449 -2.571 1.00 0.00 C ATOM 0 H LEU A 27 14.041 0.160 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 27 11.238 -0.808 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.853 -1.703 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.356 -0.025 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 27 14.170 -2.426 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.226 -1.767 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.506 -2.165 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.027 -0.464 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.014 -0.767 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.831 0.550 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.848 -0.434 -1.491 1.00 0.00 H new ATOM 448 N TRP A 28 12.039 -3.246 -0.762 1.00 0.00 N ATOM 449 CA TRP A 28 12.488 -4.533 -0.152 1.00 0.00 C ATOM 450 C TRP A 28 12.017 -5.703 -1.026 1.00 0.00 C ATOM 451 O TRP A 28 10.843 -6.008 -1.097 1.00 0.00 O ATOM 452 CB TRP A 28 11.906 -4.670 1.260 1.00 0.00 C ATOM 453 CG TRP A 28 12.720 -5.650 2.042 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.732 -6.987 1.841 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.644 -5.393 3.139 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.603 -7.568 2.744 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.189 -6.626 3.567 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.056 -4.220 3.797 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.111 -6.693 4.612 1.00 0.00 C ATOM 460 CZ3 TRP A 28 14.984 -4.285 4.849 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.510 -5.519 5.256 1.00 0.00 C ATOM 0 H TRP A 28 11.114 -3.270 -1.191 1.00 0.00 H new ATOM 0 HA TRP A 28 13.576 -4.544 -0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.905 -3.701 1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.869 -5.003 1.207 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.155 -7.515 1.096 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.790 -8.569 2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.656 -3.264 3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.514 -7.646 4.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.294 -3.379 5.348 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.223 -5.562 6.066 1.00 0.00 H new ATOM 472 N GLU A 29 12.930 -6.350 -1.694 1.00 0.00 N ATOM 473 CA GLU A 29 12.545 -7.495 -2.573 1.00 0.00 C ATOM 474 C GLU A 29 12.059 -8.656 -1.704 1.00 0.00 C ATOM 475 O GLU A 29 12.762 -9.124 -0.831 1.00 0.00 O ATOM 476 CB GLU A 29 13.760 -7.940 -3.392 1.00 0.00 C ATOM 477 CG GLU A 29 13.360 -9.076 -4.339 1.00 0.00 C ATOM 478 CD GLU A 29 14.572 -9.493 -5.174 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.538 -8.748 -5.194 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.515 -10.552 -5.780 1.00 0.00 O ATOM 0 H GLU A 29 13.927 -6.137 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 29 11.747 -7.187 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.152 -7.099 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.557 -8.273 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.988 -9.927 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.549 -8.752 -4.992 1.00 0.00 H new ATOM 487 N ASN A 30 10.856 -9.126 -1.939 1.00 0.00 N ATOM 488 CA ASN A 30 10.309 -10.263 -1.131 1.00 0.00 C ATOM 489 C ASN A 30 9.653 -11.278 -2.068 1.00 0.00 C ATOM 490 O ASN A 30 8.762 -10.950 -2.824 1.00 0.00 O ATOM 491 CB ASN A 30 9.263 -9.728 -0.141 1.00 0.00 C ATOM 492 CG ASN A 30 9.050 -10.740 0.990 1.00 0.00 C ATOM 493 OD1 ASN A 30 9.726 -10.695 1.997 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.136 -11.664 0.860 1.00 0.00 N ATOM 0 H ASN A 30 10.227 -8.769 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 30 11.117 -10.744 -0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.593 -8.774 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.321 -9.543 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.991 -12.346 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.567 -11.703 0.014 1.00 0.00 H new ATOM 501 N THR A 31 10.088 -12.512 -2.022 1.00 0.00 N ATOM 502 CA THR A 31 9.493 -13.567 -2.906 1.00 0.00 C ATOM 503 C THR A 31 9.280 -14.844 -2.087 1.00 0.00 C ATOM 504 O THR A 31 9.228 -15.938 -2.615 1.00 0.00 O ATOM 505 CB THR A 31 10.442 -13.847 -4.074 1.00 0.00 C ATOM 506 OG1 THR A 31 11.703 -14.267 -3.570 1.00 0.00 O ATOM 507 CG2 THR A 31 10.618 -12.572 -4.900 1.00 0.00 C ATOM 0 H THR A 31 10.834 -12.838 -1.407 1.00 0.00 H new ATOM 0 HA THR A 31 8.536 -13.226 -3.300 1.00 0.00 H new ATOM 0 HB THR A 31 10.025 -14.633 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 31 12.310 -14.448 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.293 -12.768 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.650 -12.252 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.036 -11.786 -4.271 1.00 0.00 H new ATOM 515 N HIS A 32 9.155 -14.705 -0.797 1.00 0.00 N ATOM 516 CA HIS A 32 8.944 -15.893 0.074 1.00 0.00 C ATOM 517 C HIS A 32 7.579 -16.521 -0.225 1.00 0.00 C ATOM 518 O HIS A 32 7.465 -17.430 -1.024 1.00 0.00 O ATOM 519 CB HIS A 32 9.001 -15.448 1.541 1.00 0.00 C ATOM 520 CG HIS A 32 8.821 -16.639 2.443 1.00 0.00 C ATOM 521 ND1 HIS A 32 9.802 -17.607 2.597 1.00 0.00 N ATOM 522 CD2 HIS A 32 7.782 -17.026 3.253 1.00 0.00 C ATOM 523 CE1 HIS A 32 9.337 -18.519 3.472 1.00 0.00 C ATOM 524 NE2 HIS A 32 8.110 -18.213 3.902 1.00 0.00 N ATOM 0 H HIS A 32 9.190 -13.812 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 32 9.721 -16.633 -0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.956 -14.965 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.223 -14.711 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.851 -16.491 3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.889 -19.392 3.788 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.537 -18.736 4.564 1.00 0.00 H new ATOM 532 N GLU A 33 6.547 -16.048 0.417 1.00 0.00 N ATOM 533 CA GLU A 33 5.190 -16.619 0.182 1.00 0.00 C ATOM 534 C GLU A 33 4.671 -16.156 -1.185 1.00 0.00 C ATOM 535 O GLU A 33 5.163 -16.571 -2.215 1.00 0.00 O ATOM 536 CB GLU A 33 4.245 -16.142 1.296 1.00 0.00 C ATOM 537 CG GLU A 33 2.899 -16.873 1.196 1.00 0.00 C ATOM 538 CD GLU A 33 2.002 -16.448 2.359 1.00 0.00 C ATOM 539 OE1 GLU A 33 2.339 -15.477 3.016 1.00 0.00 O ATOM 540 OE2 GLU A 33 0.992 -17.099 2.572 1.00 0.00 O ATOM 0 H GLU A 33 6.585 -15.288 1.097 1.00 0.00 H new ATOM 0 HA GLU A 33 5.237 -17.708 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.697 -16.327 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.090 -15.066 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.416 -16.641 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.056 -17.951 1.219 1.00 0.00 H new ATOM 547 N SER A 34 3.677 -15.305 -1.199 1.00 0.00 N ATOM 548 CA SER A 34 3.103 -14.801 -2.485 1.00 0.00 C ATOM 549 C SER A 34 3.341 -13.297 -2.578 1.00 0.00 C ATOM 550 O SER A 34 2.791 -12.624 -3.428 1.00 0.00 O ATOM 551 CB SER A 34 1.599 -15.074 -2.508 1.00 0.00 C ATOM 552 OG SER A 34 1.374 -16.476 -2.593 1.00 0.00 O ATOM 0 H SER A 34 3.231 -14.932 -0.361 1.00 0.00 H new ATOM 0 HA SER A 34 3.579 -15.305 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.132 -14.674 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.140 -14.569 -3.358 1.00 0.00 H new ATOM 0 HG SER A 34 0.410 -16.652 -2.606 1.00 0.00 H new ATOM 558 N ILE A 35 4.149 -12.759 -1.703 1.00 0.00 N ATOM 559 CA ILE A 35 4.412 -11.296 -1.733 1.00 0.00 C ATOM 560 C ILE A 35 5.463 -10.988 -2.798 1.00 0.00 C ATOM 561 O ILE A 35 6.485 -11.638 -2.888 1.00 0.00 O ATOM 562 CB ILE A 35 4.929 -10.847 -0.365 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.868 -11.146 0.698 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.211 -9.343 -0.395 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.456 -10.906 2.090 1.00 0.00 C ATOM 0 H ILE A 35 4.637 -13.273 -0.969 1.00 0.00 H new ATOM 0 HA ILE A 35 3.490 -10.765 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 35 5.848 -11.383 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.996 -10.510 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.529 -12.178 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.579 -9.022 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.962 -9.129 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.293 -8.805 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.700 -11.119 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.314 -11.561 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.773 -9.867 2.177 1.00 0.00 H new ATOM 577 N SER A 36 5.217 -9.998 -3.611 1.00 0.00 N ATOM 578 CA SER A 36 6.194 -9.641 -4.679 1.00 0.00 C ATOM 579 C SER A 36 7.250 -8.681 -4.123 1.00 0.00 C ATOM 580 O SER A 36 8.438 -8.946 -4.171 1.00 0.00 O ATOM 581 CB SER A 36 5.444 -8.964 -5.830 1.00 0.00 C ATOM 582 OG SER A 36 6.228 -9.042 -7.012 1.00 0.00 O ATOM 0 H SER A 36 4.378 -9.418 -3.582 1.00 0.00 H new ATOM 0 HA SER A 36 6.690 -10.544 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.480 -9.449 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.240 -7.922 -5.583 1.00 0.00 H new ATOM 0 HG SER A 36 7.133 -8.716 -6.826 1.00 0.00 H new ATOM 588 N GLN A 37 6.827 -7.560 -3.602 1.00 0.00 N ATOM 589 CA GLN A 37 7.806 -6.577 -3.057 1.00 0.00 C ATOM 590 C GLN A 37 7.164 -5.760 -1.932 1.00 0.00 C ATOM 591 O GLN A 37 5.962 -5.593 -1.874 1.00 0.00 O ATOM 592 CB GLN A 37 8.241 -5.634 -4.181 1.00 0.00 C ATOM 593 CG GLN A 37 9.256 -4.626 -3.643 1.00 0.00 C ATOM 594 CD GLN A 37 9.820 -3.806 -4.802 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.083 -3.328 -5.641 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.110 -3.623 -4.886 1.00 0.00 N ATOM 0 H GLN A 37 5.848 -7.284 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 37 8.669 -7.111 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.680 -6.205 -4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.375 -5.111 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.781 -3.968 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.062 -5.146 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.729 -4.024 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.499 -3.079 -5.656 1.00 0.00 H new ATOM 605 N VAL A 38 7.971 -5.245 -1.043 1.00 0.00 N ATOM 606 CA VAL A 38 7.441 -4.422 0.086 1.00 0.00 C ATOM 607 C VAL A 38 8.370 -3.232 0.307 1.00 0.00 C ATOM 608 O VAL A 38 9.574 -3.356 0.234 1.00 0.00 O ATOM 609 CB VAL A 38 7.389 -5.267 1.358 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.819 -4.424 2.500 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.497 -6.489 1.124 1.00 0.00 C ATOM 0 H VAL A 38 8.984 -5.360 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 38 6.437 -4.072 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 38 8.394 -5.601 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.780 -5.023 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.457 -3.555 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.814 -4.092 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.460 -7.092 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.490 -6.161 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.905 -7.086 0.308 1.00 0.00 H new ATOM 621 N GLY A 39 7.834 -2.076 0.570 1.00 0.00 N ATOM 622 CA GLY A 39 8.720 -0.901 0.782 1.00 0.00 C ATOM 623 C GLY A 39 7.920 0.272 1.346 1.00 0.00 C ATOM 624 O GLY A 39 6.883 0.101 1.958 1.00 0.00 O ATOM 0 H GLY A 39 6.833 -1.894 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.526 -1.164 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.185 -0.613 -0.161 1.00 0.00 H new ATOM 628 N LEU A 40 8.409 1.469 1.136 1.00 0.00 N ATOM 629 CA LEU A 40 7.705 2.683 1.647 1.00 0.00 C ATOM 630 C LEU A 40 7.667 3.751 0.559 1.00 0.00 C ATOM 631 O LEU A 40 8.522 3.804 -0.301 1.00 0.00 O ATOM 632 CB LEU A 40 8.446 3.229 2.875 1.00 0.00 C ATOM 633 CG LEU A 40 8.572 2.124 3.956 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.919 1.402 3.817 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.491 2.749 5.353 1.00 0.00 C ATOM 0 H LEU A 40 9.273 1.657 0.628 1.00 0.00 H new ATOM 0 HA LEU A 40 6.686 2.416 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.436 3.580 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.910 4.087 3.281 1.00 0.00 H new ATOM 0 HG LEU A 40 7.758 1.412 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.998 0.628 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.987 0.946 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.731 2.119 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.580 1.967 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.301 3.468 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.534 3.258 5.469 1.00 0.00 H new ATOM 647 N LEU A 41 6.672 4.600 0.594 1.00 0.00 N ATOM 648 CA LEU A 41 6.555 5.680 -0.433 1.00 0.00 C ATOM 649 C LEU A 41 6.818 7.030 0.234 1.00 0.00 C ATOM 650 O LEU A 41 6.271 7.338 1.276 1.00 0.00 O ATOM 651 CB LEU A 41 5.142 5.668 -1.015 1.00 0.00 C ATOM 652 CG LEU A 41 4.799 4.257 -1.499 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.379 4.242 -2.070 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.798 3.817 -2.579 1.00 0.00 C ATOM 0 H LEU A 41 5.931 4.592 1.294 1.00 0.00 H new ATOM 0 HA LEU A 41 7.279 5.516 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.424 5.989 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.072 6.374 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 41 4.858 3.565 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.136 3.237 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.672 4.541 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.316 4.937 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.548 2.812 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.750 4.507 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.806 3.819 -2.165 1.00 0.00 H new ATOM 666 N GLY A 42 7.660 7.834 -0.364 1.00 0.00 N ATOM 667 CA GLY A 42 7.982 9.171 0.218 1.00 0.00 C ATOM 668 C GLY A 42 7.045 10.224 -0.368 1.00 0.00 C ATOM 669 O GLY A 42 7.255 10.714 -1.460 1.00 0.00 O ATOM 0 H GLY A 42 8.142 7.619 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.879 9.141 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.018 9.432 0.004 1.00 0.00 H new ATOM 673 N ASP A 43 6.013 10.579 0.352 1.00 0.00 N ATOM 674 CA ASP A 43 5.054 11.608 -0.154 1.00 0.00 C ATOM 675 C ASP A 43 5.363 12.957 0.498 1.00 0.00 C ATOM 676 O ASP A 43 6.006 13.034 1.526 1.00 0.00 O ATOM 677 CB ASP A 43 3.626 11.193 0.195 1.00 0.00 C ATOM 678 CG ASP A 43 3.410 9.725 -0.178 1.00 0.00 C ATOM 679 OD1 ASP A 43 4.270 8.920 0.143 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.390 9.429 -0.777 1.00 0.00 O ATOM 0 H ASP A 43 5.792 10.199 1.272 1.00 0.00 H new ATOM 0 HA ASP A 43 5.154 11.693 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.445 11.338 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.913 11.822 -0.338 1.00 0.00 H new ATOM 685 N GLU A 44 4.899 14.020 -0.093 1.00 0.00 N ATOM 686 CA GLU A 44 5.146 15.374 0.477 1.00 0.00 C ATOM 687 C GLU A 44 4.344 15.548 1.771 1.00 0.00 C ATOM 688 O GLU A 44 4.606 16.436 2.558 1.00 0.00 O ATOM 689 CB GLU A 44 4.704 16.426 -0.541 1.00 0.00 C ATOM 690 CG GLU A 44 3.225 16.217 -0.876 1.00 0.00 C ATOM 691 CD GLU A 44 2.800 17.207 -1.961 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.591 18.078 -2.284 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.693 17.072 -2.457 1.00 0.00 O ATOM 0 H GLU A 44 4.354 14.010 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 44 6.207 15.490 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.859 17.427 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.308 16.350 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.060 15.195 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.616 16.357 0.017 1.00 0.00 H new ATOM 700 N THR A 45 3.366 14.710 1.996 1.00 0.00 N ATOM 701 CA THR A 45 2.541 14.830 3.238 1.00 0.00 C ATOM 702 C THR A 45 3.071 13.869 4.302 1.00 0.00 C ATOM 703 O THR A 45 2.702 13.945 5.457 1.00 0.00 O ATOM 704 CB THR A 45 1.086 14.481 2.911 1.00 0.00 C ATOM 705 OG1 THR A 45 0.992 13.100 2.592 1.00 0.00 O ATOM 706 CG2 THR A 45 0.611 15.317 1.719 1.00 0.00 C ATOM 0 H THR A 45 3.102 13.946 1.374 1.00 0.00 H new ATOM 0 HA THR A 45 2.597 15.851 3.617 1.00 0.00 H new ATOM 0 HB THR A 45 0.458 14.698 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.962 12.990 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.425 15.067 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.682 16.376 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.237 15.104 0.853 1.00 0.00 H new ATOM 714 N GLY A 46 3.941 12.969 3.927 1.00 0.00 N ATOM 715 CA GLY A 46 4.498 12.009 4.923 1.00 0.00 C ATOM 716 C GLY A 46 4.991 10.748 4.207 1.00 0.00 C ATOM 717 O GLY A 46 5.437 10.799 3.077 1.00 0.00 O ATOM 0 H GLY A 46 4.289 12.858 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.319 12.473 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.735 11.747 5.656 1.00 0.00 H new ATOM 721 N ILE A 47 4.907 9.615 4.861 1.00 0.00 N ATOM 722 CA ILE A 47 5.360 8.330 4.236 1.00 0.00 C ATOM 723 C ILE A 47 4.295 7.253 4.446 1.00 0.00 C ATOM 724 O ILE A 47 3.430 7.377 5.292 1.00 0.00 O ATOM 725 CB ILE A 47 6.672 7.880 4.884 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.467 7.670 6.399 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.735 8.952 4.659 1.00 0.00 C ATOM 728 CD1 ILE A 47 5.797 6.314 6.701 1.00 0.00 C ATOM 0 H ILE A 47 4.541 9.524 5.809 1.00 0.00 H new ATOM 0 HA ILE A 47 5.515 8.484 3.168 1.00 0.00 H new ATOM 0 HB ILE A 47 6.993 6.940 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.430 7.721 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.852 8.477 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.672 8.637 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.886 9.096 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.407 9.889 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.670 6.203 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.823 6.273 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.425 5.506 6.325 1.00 0.00 H new ATOM 740 N ILE A 48 4.350 6.192 3.683 1.00 0.00 N ATOM 741 CA ILE A 48 3.344 5.103 3.848 1.00 0.00 C ATOM 742 C ILE A 48 3.917 3.783 3.308 1.00 0.00 C ATOM 743 O ILE A 48 4.706 3.766 2.383 1.00 0.00 O ATOM 744 CB ILE A 48 2.054 5.475 3.100 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.004 4.367 3.274 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.350 5.675 1.613 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.658 4.192 4.759 1.00 0.00 C ATOM 0 H ILE A 48 5.047 6.034 2.955 1.00 0.00 H new ATOM 0 HA ILE A 48 3.112 4.977 4.906 1.00 0.00 H new ATOM 0 HB ILE A 48 1.664 6.404 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.105 4.617 2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.384 3.429 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.430 5.938 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.078 6.477 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.753 4.753 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.087 3.404 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.557 3.921 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.258 5.127 5.152 1.00 0.00 H new ATOM 759 N LYS A 49 3.524 2.681 3.889 1.00 0.00 N ATOM 760 CA LYS A 49 4.031 1.355 3.432 1.00 0.00 C ATOM 761 C LYS A 49 3.240 0.898 2.210 1.00 0.00 C ATOM 762 O LYS A 49 2.159 1.397 1.934 1.00 0.00 O ATOM 763 CB LYS A 49 3.862 0.337 4.558 1.00 0.00 C ATOM 764 CG LYS A 49 4.828 0.679 5.690 1.00 0.00 C ATOM 765 CD LYS A 49 4.651 -0.320 6.832 1.00 0.00 C ATOM 766 CE LYS A 49 5.696 -0.046 7.913 1.00 0.00 C ATOM 767 NZ LYS A 49 5.498 1.327 8.460 1.00 0.00 N ATOM 0 H LYS A 49 2.867 2.643 4.668 1.00 0.00 H new ATOM 0 HA LYS A 49 5.085 1.439 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.835 0.348 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.058 -0.669 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.855 0.653 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.642 1.692 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.648 -0.236 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.757 -1.339 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.610 -0.783 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.699 -0.142 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.105 1.459 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.749 2.029 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.502 1.452 8.733 1.00 0.00 H new ATOM 781 N PHE A 50 3.733 -0.073 1.481 1.00 0.00 N ATOM 782 CA PHE A 50 2.970 -0.567 0.304 1.00 0.00 C ATOM 783 C PHE A 50 3.427 -2.001 -0.008 1.00 0.00 C ATOM 784 O PHE A 50 4.570 -2.356 0.208 1.00 0.00 O ATOM 785 CB PHE A 50 3.234 0.335 -0.911 1.00 0.00 C ATOM 786 CG PHE A 50 4.613 0.072 -1.480 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.729 0.755 -0.985 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.765 -0.857 -2.517 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.996 0.507 -1.527 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.031 -1.105 -3.056 1.00 0.00 C ATOM 791 CZ PHE A 50 7.147 -0.424 -2.561 1.00 0.00 C ATOM 0 H PHE A 50 4.624 -0.539 1.652 1.00 0.00 H new ATOM 0 HA PHE A 50 1.903 -0.552 0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.479 0.155 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.149 1.382 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.614 1.472 -0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.903 -1.383 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.858 1.035 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.147 -1.823 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.125 -0.616 -2.976 1.00 0.00 H new ATOM 801 N THR A 51 2.545 -2.825 -0.512 1.00 0.00 N ATOM 802 CA THR A 51 2.926 -4.237 -0.840 1.00 0.00 C ATOM 803 C THR A 51 2.343 -4.620 -2.200 1.00 0.00 C ATOM 804 O THR A 51 1.182 -4.396 -2.474 1.00 0.00 O ATOM 805 CB THR A 51 2.381 -5.181 0.237 1.00 0.00 C ATOM 806 OG1 THR A 51 2.582 -6.528 -0.173 1.00 0.00 O ATOM 807 CG2 THR A 51 0.887 -4.928 0.435 1.00 0.00 C ATOM 0 H THR A 51 1.575 -2.583 -0.712 1.00 0.00 H new ATOM 0 HA THR A 51 4.012 -4.320 -0.875 1.00 0.00 H new ATOM 0 HB THR A 51 2.905 -5.001 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.236 -7.134 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.502 -5.601 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.731 -3.895 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.360 -5.107 -0.502 1.00 0.00 H new ATOM 815 N ILE A 52 3.153 -5.193 -3.055 1.00 0.00 N ATOM 816 CA ILE A 52 2.670 -5.593 -4.415 1.00 0.00 C ATOM 817 C ILE A 52 2.533 -7.113 -4.483 1.00 0.00 C ATOM 818 O ILE A 52 3.430 -7.845 -4.113 1.00 0.00 O ATOM 819 CB ILE A 52 3.676 -5.128 -5.465 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.829 -3.608 -5.373 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.166 -5.504 -6.858 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.023 -3.159 -6.216 1.00 0.00 C ATOM 0 H ILE A 52 4.134 -5.403 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 52 1.701 -5.133 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 52 4.640 -5.606 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.920 -3.119 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.972 -3.309 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.883 -5.173 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.047 -6.586 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.205 -5.022 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.129 -2.076 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.930 -3.637 -5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.862 -3.444 -7.256 1.00 0.00 H new ATOM 834 N TRP A 53 1.409 -7.597 -4.938 1.00 0.00 N ATOM 835 CA TRP A 53 1.206 -9.072 -5.015 1.00 0.00 C ATOM 836 C TRP A 53 1.744 -9.621 -6.340 1.00 0.00 C ATOM 837 O TRP A 53 1.608 -9.013 -7.384 1.00 0.00 O ATOM 838 CB TRP A 53 -0.291 -9.370 -4.914 1.00 0.00 C ATOM 839 CG TRP A 53 -0.755 -9.074 -3.526 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.338 -7.920 -3.130 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.683 -9.923 -2.347 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.629 -8.008 -1.780 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.244 -9.224 -1.252 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.189 -11.221 -2.123 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.313 -9.793 0.019 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.256 -11.797 -0.844 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.817 -11.085 0.225 1.00 0.00 C ATOM 0 H TRP A 53 0.622 -7.034 -5.260 1.00 0.00 H new ATOM 0 HA TRP A 53 1.744 -9.550 -4.196 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.844 -8.765 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.484 -10.414 -5.161 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.543 -7.069 -3.763 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.074 -7.265 -1.241 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.245 -11.778 -2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.746 -9.240 0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.127 -12.794 -0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.866 -11.533 1.206 1.00 0.00 H new ATOM 858 N LYS A 54 2.348 -10.778 -6.297 1.00 0.00 N ATOM 859 CA LYS A 54 2.896 -11.398 -7.538 1.00 0.00 C ATOM 860 C LYS A 54 1.772 -11.539 -8.564 1.00 0.00 C ATOM 861 O LYS A 54 1.983 -11.407 -9.753 1.00 0.00 O ATOM 862 CB LYS A 54 3.449 -12.792 -7.202 1.00 0.00 C ATOM 863 CG LYS A 54 4.824 -12.678 -6.521 1.00 0.00 C ATOM 864 CD LYS A 54 5.930 -12.586 -7.586 1.00 0.00 C ATOM 865 CE LYS A 54 7.322 -12.531 -6.920 1.00 0.00 C ATOM 866 NZ LYS A 54 7.873 -11.155 -7.055 1.00 0.00 N ATOM 0 H LYS A 54 2.486 -11.325 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 54 3.691 -10.773 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.754 -13.317 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.536 -13.384 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.850 -11.797 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.995 -13.543 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.873 -13.447 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.779 -11.698 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.246 -12.804 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.992 -13.252 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.383 -10.898 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.527 -11.121 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.095 -10.483 -7.211 1.00 0.00 H new ATOM 880 N ASN A 55 0.583 -11.816 -8.114 1.00 0.00 N ATOM 881 CA ASN A 55 -0.552 -11.976 -9.062 1.00 0.00 C ATOM 882 C ASN A 55 -0.738 -10.682 -9.859 1.00 0.00 C ATOM 883 O ASN A 55 -1.547 -10.612 -10.761 1.00 0.00 O ATOM 884 CB ASN A 55 -1.824 -12.278 -8.271 1.00 0.00 C ATOM 885 CG ASN A 55 -1.592 -13.509 -7.392 1.00 0.00 C ATOM 886 OD1 ASN A 55 -0.972 -14.464 -7.815 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.066 -13.527 -6.176 1.00 0.00 N ATOM 0 H ASN A 55 0.347 -11.939 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.345 -12.795 -9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.094 -11.421 -7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.656 -12.455 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.916 -14.342 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.587 -12.726 -5.820 1.00 0.00 H new ATOM 894 N ALA A 56 0.013 -9.660 -9.544 1.00 0.00 N ATOM 895 CA ALA A 56 -0.114 -8.379 -10.299 1.00 0.00 C ATOM 896 C ALA A 56 0.804 -8.432 -11.525 1.00 0.00 C ATOM 897 O ALA A 56 0.523 -7.853 -12.555 1.00 0.00 O ATOM 898 CB ALA A 56 0.297 -7.215 -9.391 1.00 0.00 C ATOM 0 H ALA A 56 0.708 -9.657 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.145 -8.235 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.206 -6.277 -9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.353 -7.189 -8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.330 -7.350 -9.072 1.00 0.00 H new ATOM 904 N GLU A 57 1.902 -9.133 -11.417 1.00 0.00 N ATOM 905 CA GLU A 57 2.847 -9.240 -12.565 1.00 0.00 C ATOM 906 C GLU A 57 3.183 -7.848 -13.100 1.00 0.00 C ATOM 907 O GLU A 57 3.089 -7.594 -14.285 1.00 0.00 O ATOM 908 CB GLU A 57 2.209 -10.075 -13.677 1.00 0.00 C ATOM 909 CG GLU A 57 2.070 -11.520 -13.199 1.00 0.00 C ATOM 910 CD GLU A 57 1.354 -12.350 -14.264 1.00 0.00 C ATOM 911 OE1 GLU A 57 1.064 -11.805 -15.316 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.106 -13.517 -14.008 1.00 0.00 O ATOM 0 H GLU A 57 2.185 -9.638 -10.578 1.00 0.00 H new ATOM 0 HA GLU A 57 3.764 -9.722 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.232 -9.670 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.822 -10.034 -14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.054 -11.942 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.511 -11.551 -12.264 1.00 0.00 H new ATOM 919 N LEU A 58 3.573 -6.943 -12.234 1.00 0.00 N ATOM 920 CA LEU A 58 3.917 -5.558 -12.684 1.00 0.00 C ATOM 921 C LEU A 58 5.439 -5.341 -12.585 1.00 0.00 C ATOM 922 O LEU A 58 6.094 -5.949 -11.761 1.00 0.00 O ATOM 923 CB LEU A 58 3.198 -4.548 -11.789 1.00 0.00 C ATOM 924 CG LEU A 58 1.709 -4.902 -11.704 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.004 -3.911 -10.774 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.076 -4.834 -13.101 1.00 0.00 C ATOM 0 H LEU A 58 3.668 -7.105 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 58 3.603 -5.423 -13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.640 -4.551 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.320 -3.541 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 58 1.601 -5.913 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.055 -4.161 -10.712 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.448 -3.965 -9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.116 -2.900 -11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.018 -5.087 -13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.184 -3.826 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.577 -5.541 -13.762 1.00 0.00 H new ATOM 938 N PRO A 59 6.007 -4.471 -13.401 1.00 0.00 N ATOM 939 CA PRO A 59 7.476 -4.186 -13.365 1.00 0.00 C ATOM 940 C PRO A 59 7.970 -3.781 -11.966 1.00 0.00 C ATOM 941 O PRO A 59 7.253 -3.184 -11.189 1.00 0.00 O ATOM 942 CB PRO A 59 7.664 -3.018 -14.353 1.00 0.00 C ATOM 943 CG PRO A 59 6.471 -3.056 -15.255 1.00 0.00 C ATOM 944 CD PRO A 59 5.328 -3.681 -14.451 1.00 0.00 C ATOM 0 HA PRO A 59 8.051 -5.074 -13.626 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.727 -2.066 -13.826 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.588 -3.130 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.206 -2.052 -15.588 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.681 -3.643 -16.149 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.682 -2.917 -14.018 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.699 -4.312 -15.079 1.00 0.00 H new ATOM 952 N LEU A 60 9.193 -4.116 -11.647 1.00 0.00 N ATOM 953 CA LEU A 60 9.751 -3.773 -10.307 1.00 0.00 C ATOM 954 C LEU A 60 9.936 -2.258 -10.177 1.00 0.00 C ATOM 955 O LEU A 60 10.266 -1.574 -11.126 1.00 0.00 O ATOM 956 CB LEU A 60 11.106 -4.467 -10.139 1.00 0.00 C ATOM 957 CG LEU A 60 10.943 -5.974 -10.363 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.311 -6.652 -10.260 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.993 -6.563 -9.306 1.00 0.00 C ATOM 0 H LEU A 60 9.833 -4.617 -12.263 1.00 0.00 H new ATOM 0 HA LEU A 60 9.059 -4.109 -9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.825 -4.059 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.501 -4.278 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 60 10.522 -6.147 -11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.198 -7.724 -10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.979 -6.241 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.732 -6.474 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.883 -7.635 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.404 -6.391 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.018 -6.082 -9.384 1.00 0.00 H new ATOM 971 N LEU A 61 9.719 -1.736 -9.001 1.00 0.00 N ATOM 972 CA LEU A 61 9.867 -0.269 -8.780 1.00 0.00 C ATOM 973 C LEU A 61 11.347 0.081 -8.604 1.00 0.00 C ATOM 974 O LEU A 61 12.111 -0.680 -8.045 1.00 0.00 O ATOM 975 CB LEU A 61 9.093 0.123 -7.519 1.00 0.00 C ATOM 976 CG LEU A 61 7.596 0.181 -7.834 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.111 -1.200 -8.294 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.830 0.604 -6.577 1.00 0.00 C ATOM 0 H LEU A 61 9.443 -2.268 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 61 9.474 0.274 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.280 -0.600 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.436 1.091 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 61 7.419 0.905 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.045 -1.155 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.657 -1.498 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.286 -1.929 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.763 0.646 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.007 -0.120 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.173 1.587 -6.255 1.00 0.00 H new ATOM 990 N GLU A 62 11.756 1.232 -9.078 1.00 0.00 N ATOM 991 CA GLU A 62 13.189 1.642 -8.944 1.00 0.00 C ATOM 992 C GLU A 62 13.325 2.660 -7.807 1.00 0.00 C ATOM 993 O GLU A 62 12.553 3.592 -7.694 1.00 0.00 O ATOM 994 CB GLU A 62 13.656 2.274 -10.256 1.00 0.00 C ATOM 995 CG GLU A 62 15.148 2.596 -10.161 1.00 0.00 C ATOM 996 CD GLU A 62 15.637 3.148 -11.501 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.913 3.016 -12.474 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.729 3.692 -11.532 1.00 0.00 O ATOM 0 H GLU A 62 11.158 1.907 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 62 13.801 0.768 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.472 1.593 -11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.089 3.183 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.324 3.324 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.709 1.699 -9.899 1.00 0.00 H new ATOM 1005 N GLN A 63 14.299 2.475 -6.958 1.00 0.00 N ATOM 1006 CA GLN A 63 14.493 3.412 -5.813 1.00 0.00 C ATOM 1007 C GLN A 63 15.071 4.742 -6.303 1.00 0.00 C ATOM 1008 O GLN A 63 15.956 4.779 -7.136 1.00 0.00 O ATOM 1009 CB GLN A 63 15.454 2.787 -4.803 1.00 0.00 C ATOM 1010 CG GLN A 63 15.571 3.703 -3.582 1.00 0.00 C ATOM 1011 CD GLN A 63 16.396 3.013 -2.493 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.676 3.598 -1.466 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.802 1.786 -2.675 1.00 0.00 N ATOM 0 H GLN A 63 14.973 1.711 -7.008 1.00 0.00 H new ATOM 0 HA GLN A 63 13.527 3.597 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.093 1.804 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.434 2.641 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.042 4.644 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.579 3.945 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.567 1.294 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.354 1.319 -1.955 1.00 0.00 H new ATOM 1022 N GLY A 64 14.581 5.837 -5.781 1.00 0.00 N ATOM 1023 CA GLY A 64 15.099 7.173 -6.200 1.00 0.00 C ATOM 1024 C GLY A 64 14.270 7.702 -7.366 1.00 0.00 C ATOM 1025 O GLY A 64 14.434 8.827 -7.792 1.00 0.00 O ATOM 0 H GLY A 64 13.841 5.863 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.054 7.870 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.146 7.093 -6.492 1.00 0.00 H new ATOM 1029 N GLU A 65 13.398 6.889 -7.905 1.00 0.00 N ATOM 1030 CA GLU A 65 12.563 7.327 -9.067 1.00 0.00 C ATOM 1031 C GLU A 65 11.120 7.590 -8.622 1.00 0.00 C ATOM 1032 O GLU A 65 10.653 7.078 -7.619 1.00 0.00 O ATOM 1033 CB GLU A 65 12.579 6.230 -10.131 1.00 0.00 C ATOM 1034 CG GLU A 65 14.007 6.052 -10.657 1.00 0.00 C ATOM 1035 CD GLU A 65 14.451 7.320 -11.391 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.587 8.092 -11.775 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.646 7.499 -11.553 1.00 0.00 O ATOM 0 H GLU A 65 13.227 5.934 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 65 12.974 8.251 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.216 5.293 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.908 6.492 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.686 5.843 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.052 5.196 -11.330 1.00 0.00 H new ATOM 1044 N SER A 66 10.415 8.390 -9.382 1.00 0.00 N ATOM 1045 CA SER A 66 8.996 8.710 -9.051 1.00 0.00 C ATOM 1046 C SER A 66 8.072 7.679 -9.701 1.00 0.00 C ATOM 1047 O SER A 66 8.352 7.166 -10.769 1.00 0.00 O ATOM 1048 CB SER A 66 8.663 10.107 -9.569 1.00 0.00 C ATOM 1049 OG SER A 66 9.183 10.249 -10.884 1.00 0.00 O ATOM 0 H SER A 66 10.768 8.839 -10.227 1.00 0.00 H new ATOM 0 HA SER A 66 8.855 8.681 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.584 10.260 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.090 10.864 -8.911 1.00 0.00 H new ATOM 0 HG SER A 66 9.155 11.193 -11.147 1.00 0.00 H new ATOM 1055 N TYR A 67 6.968 7.373 -9.065 1.00 0.00 N ATOM 1056 CA TYR A 67 6.019 6.372 -9.641 1.00 0.00 C ATOM 1057 C TYR A 67 4.578 6.826 -9.409 1.00 0.00 C ATOM 1058 O TYR A 67 4.246 7.419 -8.397 1.00 0.00 O ATOM 1059 CB TYR A 67 6.238 5.004 -8.969 1.00 0.00 C ATOM 1060 CG TYR A 67 7.395 4.284 -9.625 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.200 3.609 -10.837 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.658 4.287 -9.023 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.266 2.937 -11.444 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.725 3.615 -9.630 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.530 2.941 -10.842 1.00 0.00 C ATOM 1066 OH TYR A 67 10.580 2.278 -11.441 1.00 0.00 O ATOM 0 H TYR A 67 6.683 7.774 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 67 6.201 6.286 -10.712 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.439 5.140 -7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.333 4.402 -9.048 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.226 3.608 -11.303 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.810 4.808 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.114 2.415 -12.377 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.699 3.616 -9.164 1.00 0.00 H new ATOM 0 HH TYR A 67 11.297 2.915 -11.642 1.00 0.00 H new ATOM 1076 N LEU A 68 3.726 6.522 -10.351 1.00 0.00 N ATOM 1077 CA LEU A 68 2.283 6.890 -10.240 1.00 0.00 C ATOM 1078 C LEU A 68 1.471 5.613 -10.073 1.00 0.00 C ATOM 1079 O LEU A 68 1.647 4.662 -10.808 1.00 0.00 O ATOM 1080 CB LEU A 68 1.845 7.622 -11.510 1.00 0.00 C ATOM 1081 CG LEU A 68 0.337 7.911 -11.469 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.027 8.674 -10.189 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.044 8.758 -12.688 1.00 0.00 C ATOM 0 H LEU A 68 3.973 6.026 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 68 2.125 7.544 -9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.398 8.556 -11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.082 7.018 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.206 6.966 -11.482 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.099 8.871 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.243 8.075 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.516 9.619 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.113 8.967 -12.666 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.510 9.697 -12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.200 8.213 -13.600 1.00 0.00 H new ATOM 1095 N LEU A 69 0.587 5.578 -9.109 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.247 4.358 -8.875 1.00 0.00 C ATOM 1097 C LEU A 69 -1.720 4.701 -9.078 1.00 0.00 C ATOM 1098 O LEU A 69 -2.284 5.503 -8.359 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.025 3.867 -7.441 1.00 0.00 C ATOM 1100 CG LEU A 69 1.493 3.774 -7.138 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.980 5.067 -6.462 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.762 2.593 -6.200 1.00 0.00 C ATOM 0 H LEU A 69 0.405 6.350 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 69 0.039 3.576 -9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.503 4.548 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.491 2.891 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 69 2.027 3.632 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.047 4.989 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.800 5.914 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.438 5.215 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.830 2.531 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.216 2.737 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.432 1.669 -6.674 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.345 4.107 -10.063 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.791 4.397 -10.339 1.00 0.00 C ATOM 1116 C ARG A 70 -4.660 3.193 -9.975 1.00 0.00 C ATOM 1117 O ARG A 70 -4.241 2.056 -10.071 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.969 4.708 -11.823 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.301 6.045 -12.145 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.417 6.318 -13.644 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.858 6.427 -14.007 1.00 0.00 N ATOM 1122 CZ ARG A 70 -5.215 6.516 -15.258 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.312 6.511 -16.199 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.479 6.610 -15.567 1.00 0.00 N ATOM 0 H ARG A 70 -1.916 3.429 -10.693 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.097 5.251 -9.735 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.530 3.914 -12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.029 4.749 -12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.775 6.847 -11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.253 6.022 -11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.893 7.239 -13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.946 5.515 -14.211 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.568 6.432 -13.274 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.324 6.437 -15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.594 6.581 -17.177 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.185 6.614 -14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.761 6.680 -16.545 1.00 0.00 H new ATOM 1138 N SER A 71 -5.876 3.447 -9.565 1.00 0.00 N ATOM 1139 CA SER A 71 -6.813 2.345 -9.202 1.00 0.00 C ATOM 1140 C SER A 71 -6.206 1.459 -8.113 1.00 0.00 C ATOM 1141 O SER A 71 -6.046 0.272 -8.291 1.00 0.00 O ATOM 1142 CB SER A 71 -7.125 1.509 -10.452 1.00 0.00 C ATOM 1143 OG SER A 71 -8.148 2.154 -11.198 1.00 0.00 O ATOM 0 H SER A 71 -6.264 4.385 -9.465 1.00 0.00 H new ATOM 0 HA SER A 71 -7.736 2.777 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.229 1.396 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.444 0.507 -10.165 1.00 0.00 H new ATOM 0 HG SER A 71 -8.351 1.627 -11.999 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.891 2.022 -6.974 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.309 1.209 -5.857 1.00 0.00 C ATOM 1151 C VAL A 72 -6.333 1.112 -4.729 1.00 0.00 C ATOM 1152 O VAL A 72 -7.281 1.870 -4.673 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.027 1.874 -5.337 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.860 1.548 -6.271 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.218 3.391 -5.281 1.00 0.00 C ATOM 0 H VAL A 72 -6.011 3.013 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.064 0.211 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.811 1.496 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.952 2.022 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.716 0.468 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.079 1.921 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.306 3.859 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.440 3.767 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.045 3.629 -4.612 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.148 0.170 -3.839 1.00 0.00 N ATOM 1166 CA VAL A 73 -7.108 -0.013 -2.706 1.00 0.00 C ATOM 1167 C VAL A 73 -6.355 0.082 -1.380 1.00 0.00 C ATOM 1168 O VAL A 73 -5.197 -0.274 -1.280 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.779 -1.384 -2.832 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.725 -2.490 -2.745 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.797 -1.558 -1.704 1.00 0.00 C ATOM 0 H VAL A 73 -5.367 -0.486 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.871 0.765 -2.737 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.286 -1.448 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.209 -3.462 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.002 -2.368 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.211 -2.428 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.275 -2.533 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.289 -1.489 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.553 -0.776 -1.772 1.00 0.00 H new ATOM 1181 N VAL A 74 -7.006 0.578 -0.363 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.336 0.720 0.966 1.00 0.00 C ATOM 1183 C VAL A 74 -6.532 -0.559 1.780 1.00 0.00 C ATOM 1184 O VAL A 74 -7.638 -1.032 1.953 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.960 1.901 1.708 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.367 1.999 3.114 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.670 3.190 0.938 1.00 0.00 C ATOM 0 H VAL A 74 -7.976 0.892 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.269 0.892 0.826 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.037 1.754 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.815 2.842 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.574 1.079 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.289 2.145 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.113 4.036 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.592 3.334 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.097 3.120 -0.062 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.460 -1.123 2.285 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.559 -2.375 3.099 1.00 0.00 C ATOM 1199 C GLY A 75 -5.238 -2.065 4.562 1.00 0.00 C ATOM 1200 O GLY A 75 -4.565 -1.100 4.869 1.00 0.00 O ATOM 0 H GLY A 75 -4.512 -0.765 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.562 -2.795 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.867 -3.125 2.716 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.711 -2.885 5.467 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.437 -2.659 6.920 1.00 0.00 C ATOM 1206 C GLU A 76 -4.397 -3.677 7.390 1.00 0.00 C ATOM 1207 O GLU A 76 -4.490 -4.849 7.087 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.734 -2.852 7.712 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.510 -2.477 9.180 1.00 0.00 C ATOM 1210 CD GLU A 76 -6.302 -0.966 9.297 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -6.505 -0.281 8.308 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.943 -0.519 10.374 1.00 0.00 O ATOM 0 H GLU A 76 -6.279 -3.707 5.260 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.062 -1.648 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.525 -2.235 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.064 -3.888 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.367 -2.784 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.641 -3.005 9.572 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.408 -3.237 8.127 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.349 -4.170 8.626 1.00 0.00 C ATOM 1221 C TYR A 77 -2.178 -3.972 10.135 1.00 0.00 C ATOM 1222 O TYR A 77 -1.814 -2.907 10.592 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.035 -3.863 7.906 1.00 0.00 C ATOM 1224 CG TYR A 77 0.042 -4.806 8.389 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.047 -6.137 7.958 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.036 -4.348 9.262 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.046 -7.012 8.402 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.035 -5.222 9.705 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.040 -6.555 9.275 1.00 0.00 C ATOM 1230 OH TYR A 77 3.023 -7.418 9.712 1.00 0.00 O ATOM 0 H TYR A 77 -3.287 -2.264 8.407 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.635 -5.203 8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.166 -3.967 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.739 -2.831 8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.719 -6.489 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.032 -3.320 9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.050 -8.040 8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.802 -4.869 10.378 1.00 0.00 H new ATOM 0 HH TYR A 77 3.634 -6.941 10.311 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.440 -4.999 10.906 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.301 -4.903 12.394 1.00 0.00 C ATOM 1242 C ASN A 78 -2.804 -3.544 12.897 1.00 0.00 C ATOM 1243 O ASN A 78 -3.972 -3.376 13.186 1.00 0.00 O ATOM 1244 CB ASN A 78 -0.833 -5.091 12.783 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.418 -6.533 12.489 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.232 -7.434 12.542 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.820 -6.794 12.175 1.00 0.00 N ATOM 0 H ASN A 78 -2.748 -5.910 10.565 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.904 -5.686 12.855 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.204 -4.398 12.225 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.693 -4.868 13.841 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.104 -7.753 11.974 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.505 -6.039 12.130 1.00 0.00 H new ATOM 1254 N ASP A 79 -1.928 -2.574 13.008 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.341 -1.214 13.496 1.00 0.00 C ATOM 1256 C ASP A 79 -1.928 -0.150 12.476 1.00 0.00 C ATOM 1257 O ASP A 79 -2.416 0.962 12.493 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.650 -0.929 14.832 1.00 0.00 C ATOM 1259 CG ASP A 79 -0.139 -1.100 14.669 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.278 -1.527 13.605 1.00 0.00 O ATOM 1261 OD2 ASP A 79 0.578 -0.801 15.611 1.00 0.00 O ATOM 0 H ASP A 79 -0.938 -2.664 12.781 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.423 -1.188 13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.879 0.084 15.164 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.023 -1.607 15.599 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.027 -0.480 11.590 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.574 0.515 10.569 1.00 0.00 C ATOM 1268 C ARG A 80 -1.401 0.366 9.292 1.00 0.00 C ATOM 1269 O ARG A 80 -1.947 -0.681 9.005 1.00 0.00 O ATOM 1270 CB ARG A 80 0.902 0.279 10.248 1.00 0.00 C ATOM 1271 CG ARG A 80 1.750 0.648 11.467 1.00 0.00 C ATOM 1272 CD ARG A 80 3.224 0.382 11.167 1.00 0.00 C ATOM 1273 NE ARG A 80 4.039 0.721 12.367 1.00 0.00 N ATOM 1274 CZ ARG A 80 5.335 0.819 12.270 1.00 0.00 C ATOM 1275 NH1 ARG A 80 5.923 0.610 11.125 1.00 0.00 N ATOM 1276 NH2 ARG A 80 6.045 1.123 13.322 1.00 0.00 N ATOM 0 H ARG A 80 -0.583 -1.396 11.527 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.707 1.521 10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.065 -0.765 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.200 0.879 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.604 1.698 11.719 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.434 0.065 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.369 -0.664 10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.547 0.978 10.314 1.00 0.00 H new ATOM 0 HE ARG A 80 3.582 0.877 13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.369 0.369 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.937 0.687 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.586 1.283 14.218 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.059 1.200 13.248 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.492 1.417 8.520 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.275 1.370 7.250 1.00 0.00 C ATOM 1292 C PHE A 81 -1.307 1.224 6.075 1.00 0.00 C ATOM 1293 O PHE A 81 -0.187 1.694 6.121 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.064 2.671 7.103 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.119 2.739 8.180 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.821 3.325 9.416 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -5.394 2.212 7.945 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.797 3.383 10.417 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -6.371 2.271 8.945 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.073 2.856 10.181 1.00 0.00 C ATOM 0 H PHE A 81 -1.052 2.316 8.718 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.963 0.525 7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.394 3.527 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.529 2.718 6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.837 3.732 9.597 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.624 1.760 6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.567 3.834 11.371 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.355 1.865 8.763 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.827 2.901 10.953 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.724 0.574 5.021 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.820 0.399 3.846 1.00 0.00 C ATOM 1312 C GLN A 82 -1.657 0.264 2.578 1.00 0.00 C ATOM 1313 O GLN A 82 -2.833 -0.040 2.631 1.00 0.00 O ATOM 1314 CB GLN A 82 0.034 -0.860 4.037 1.00 0.00 C ATOM 1315 CG GLN A 82 -0.870 -2.092 4.157 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.006 -3.331 4.403 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.845 -3.330 5.271 1.00 0.00 O ATOM 1318 NE2 GLN A 82 -0.187 -4.394 3.668 1.00 0.00 N ATOM 0 H GLN A 82 -2.650 0.157 4.923 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.166 1.267 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.715 -0.979 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.648 -0.761 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.578 -1.960 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.456 -2.218 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.901 -4.395 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.386 -5.224 3.822 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.060 0.480 1.432 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.825 0.356 0.147 1.00 0.00 C ATOM 1329 C VAL A 83 -1.437 -0.953 -0.542 1.00 0.00 C ATOM 1330 O VAL A 83 -0.273 -1.241 -0.741 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.484 1.543 -0.764 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.306 2.767 -0.350 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.007 1.868 -0.639 1.00 0.00 C ATOM 0 H VAL A 83 -0.078 0.736 1.328 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.896 0.356 0.351 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.719 1.283 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.060 3.607 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.368 2.539 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.075 3.028 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.251 2.711 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.238 2.125 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.595 1.000 -0.937 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.408 -1.752 -0.901 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.112 -3.055 -1.571 1.00 0.00 C ATOM 1345 C GLN A 84 -2.319 -2.915 -3.077 1.00 0.00 C ATOM 1346 O GLN A 84 -3.361 -2.485 -3.535 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.061 -4.125 -1.031 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.742 -4.396 0.440 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.736 -5.418 0.996 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.554 -5.947 0.270 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.698 -5.719 2.264 1.00 0.00 N ATOM 0 H GLN A 84 -3.399 -1.557 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.079 -3.340 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.095 -3.795 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.959 -5.042 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.724 -4.772 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.797 -3.470 1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.011 -5.275 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.355 -6.399 2.647 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.334 -3.277 -3.853 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.455 -3.175 -5.338 1.00 0.00 C ATOM 1362 C VAL A 85 -1.797 -4.552 -5.907 1.00 0.00 C ATOM 1363 O VAL A 85 -1.194 -5.548 -5.546 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.126 -2.696 -5.916 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.296 -2.392 -7.403 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.317 -1.428 -5.180 1.00 0.00 C ATOM 0 H VAL A 85 -0.442 -3.643 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.241 -2.467 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 85 0.629 -3.473 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.653 -2.050 -7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.614 -3.295 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.049 -1.614 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.266 -1.082 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.437 -0.651 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.438 -1.647 -4.119 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.767 -4.623 -6.789 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.166 -5.937 -7.383 1.00 0.00 C ATOM 1378 C ASN A 86 -3.284 -5.805 -8.903 1.00 0.00 C ATOM 1379 O ASN A 86 -2.845 -4.839 -9.497 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.522 -6.353 -6.816 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.393 -6.620 -5.316 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.576 -7.415 -4.897 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.171 -5.983 -4.485 1.00 0.00 N ATOM 0 H ASN A 86 -3.302 -3.821 -7.124 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.411 -6.685 -7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.258 -5.568 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.881 -7.248 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.094 -6.152 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.857 -5.316 -4.838 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.887 -6.776 -9.532 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.054 -6.741 -11.015 1.00 0.00 C ATOM 1392 C LYS A 87 -4.913 -5.539 -11.422 1.00 0.00 C ATOM 1393 O LYS A 87 -4.640 -4.873 -12.401 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.747 -8.029 -11.463 1.00 0.00 C ATOM 1395 CG LYS A 87 -3.795 -9.214 -11.276 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.497 -10.508 -11.706 1.00 0.00 C ATOM 1397 CE LYS A 87 -5.700 -10.790 -10.787 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.930 -10.213 -11.398 1.00 0.00 N ATOM 0 H LYS A 87 -4.276 -7.602 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.075 -6.653 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.657 -8.185 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.045 -7.950 -12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.891 -9.065 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.486 -9.285 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.832 -10.423 -12.740 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.796 -11.342 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.820 -11.864 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.530 -10.355 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.359 -9.533 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.683 -9.727 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.608 -10.975 -11.600 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.949 -5.261 -10.684 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.830 -4.109 -11.032 1.00 0.00 C ATOM 1414 C ASN A 88 -6.024 -2.807 -10.961 1.00 0.00 C ATOM 1415 O ASN A 88 -6.274 -1.869 -11.692 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.999 -4.043 -10.040 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.069 -5.072 -10.425 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.637 -5.722 -9.570 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.374 -5.241 -11.683 1.00 0.00 N ATOM 0 H ASN A 88 -6.226 -5.782 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.217 -4.240 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.641 -4.239 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.429 -3.042 -10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.089 -5.919 -11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.897 -4.695 -12.401 1.00 0.00 H new ATOM 1426 N SER A 89 -5.066 -2.741 -10.079 1.00 0.00 N ATOM 1427 CA SER A 89 -4.253 -1.498 -9.956 1.00 0.00 C ATOM 1428 C SER A 89 -3.193 -1.453 -11.058 1.00 0.00 C ATOM 1429 O SER A 89 -2.909 -2.442 -11.705 1.00 0.00 O ATOM 1430 CB SER A 89 -3.579 -1.460 -8.585 1.00 0.00 C ATOM 1431 OG SER A 89 -2.901 -2.687 -8.361 1.00 0.00 O ATOM 0 H SER A 89 -4.811 -3.493 -9.439 1.00 0.00 H new ATOM 0 HA SER A 89 -4.907 -0.632 -10.061 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.876 -0.629 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.323 -1.295 -7.806 1.00 0.00 H new ATOM 0 HG SER A 89 -2.857 -3.194 -9.198 1.00 0.00 H new ATOM 1437 N SER A 90 -2.608 -0.301 -11.277 1.00 0.00 N ATOM 1438 CA SER A 90 -1.561 -0.163 -12.336 1.00 0.00 C ATOM 1439 C SER A 90 -0.436 0.730 -11.814 1.00 0.00 C ATOM 1440 O SER A 90 -0.583 1.404 -10.809 1.00 0.00 O ATOM 1441 CB SER A 90 -2.176 0.467 -13.584 1.00 0.00 C ATOM 1442 OG SER A 90 -1.158 0.663 -14.558 1.00 0.00 O ATOM 0 H SER A 90 -2.813 0.556 -10.763 1.00 0.00 H new ATOM 0 HA SER A 90 -1.163 -1.146 -12.589 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.959 -0.178 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.644 1.419 -13.333 1.00 0.00 H new ATOM 0 HG SER A 90 -1.548 1.066 -15.362 1.00 0.00 H new ATOM 1448 N ILE A 91 0.687 0.757 -12.492 1.00 0.00 N ATOM 1449 CA ILE A 91 1.829 1.615 -12.045 1.00 0.00 C ATOM 1450 C ILE A 91 2.480 2.263 -13.269 1.00 0.00 C ATOM 1451 O ILE A 91 2.773 1.597 -14.243 1.00 0.00 O ATOM 1452 CB ILE A 91 2.870 0.753 -11.320 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.261 0.184 -10.033 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.093 1.609 -10.980 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.216 -0.842 -9.423 1.00 0.00 C ATOM 0 H ILE A 91 0.862 0.218 -13.340 1.00 0.00 H new ATOM 0 HA ILE A 91 1.460 2.385 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 91 3.174 -0.070 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.072 0.988 -9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.300 -0.282 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.833 0.997 -10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.526 2.006 -11.898 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.792 2.434 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.781 -1.245 -8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.382 -1.652 -10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.167 -0.362 -9.192 1.00 0.00 H new ATOM 1467 N GLU A 92 2.712 3.553 -13.231 1.00 0.00 N ATOM 1468 CA GLU A 92 3.351 4.246 -14.398 1.00 0.00 C ATOM 1469 C GLU A 92 4.542 5.070 -13.902 1.00 0.00 C ATOM 1470 O GLU A 92 4.447 5.799 -12.934 1.00 0.00 O ATOM 1471 CB GLU A 92 2.330 5.175 -15.065 1.00 0.00 C ATOM 1472 CG GLU A 92 0.970 4.477 -15.145 1.00 0.00 C ATOM 1473 CD GLU A 92 -0.036 5.397 -15.838 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -0.054 6.574 -15.512 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.773 4.910 -16.679 1.00 0.00 O ATOM 0 H GLU A 92 2.487 4.158 -12.442 1.00 0.00 H new ATOM 0 HA GLU A 92 3.692 3.506 -15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.241 6.101 -14.497 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.670 5.446 -16.065 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.062 3.541 -15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.619 4.225 -14.144 1.00 0.00 H new ATOM 1482 N LYS A 93 5.664 4.956 -14.557 1.00 0.00 N ATOM 1483 CA LYS A 93 6.867 5.727 -14.131 1.00 0.00 C ATOM 1484 C LYS A 93 6.718 7.181 -14.575 1.00 0.00 C ATOM 1485 O LYS A 93 6.243 7.462 -15.658 1.00 0.00 O ATOM 1486 CB LYS A 93 8.109 5.112 -14.772 1.00 0.00 C ATOM 1487 CG LYS A 93 9.359 5.855 -14.298 1.00 0.00 C ATOM 1488 CD LYS A 93 10.598 5.182 -14.893 1.00 0.00 C ATOM 1489 CE LYS A 93 11.856 5.908 -14.413 1.00 0.00 C ATOM 1490 NZ LYS A 93 13.059 5.228 -14.969 1.00 0.00 N ATOM 0 H LYS A 93 5.801 4.359 -15.373 1.00 0.00 H new ATOM 0 HA LYS A 93 6.966 5.692 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.180 4.057 -14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.033 5.165 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.315 6.900 -14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.412 5.845 -13.209 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.634 4.134 -14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.548 5.202 -15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.833 6.950 -14.732 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.896 5.909 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.916 5.719 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.081 4.241 -14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.020 5.249 -16.008 1.00 0.00 H new ATOM 1504 N LEU A 94 7.115 8.113 -13.745 1.00 0.00 N ATOM 1505 CA LEU A 94 6.991 9.558 -14.114 1.00 0.00 C ATOM 1506 C LEU A 94 8.345 10.098 -14.570 1.00 0.00 C ATOM 1507 O LEU A 94 9.380 9.760 -14.032 1.00 0.00 O ATOM 1508 CB LEU A 94 6.510 10.349 -12.902 1.00 0.00 C ATOM 1509 CG LEU A 94 5.137 9.832 -12.458 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.721 10.548 -11.169 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.092 10.094 -13.561 1.00 0.00 C ATOM 0 H LEU A 94 7.520 7.936 -12.826 1.00 0.00 H new ATOM 0 HA LEU A 94 6.274 9.660 -14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.226 10.254 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.448 11.409 -13.149 1.00 0.00 H new ATOM 0 HG LEU A 94 5.196 8.759 -12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.745 10.184 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.456 10.349 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.666 11.621 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.120 9.723 -13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.026 11.165 -13.753 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.390 9.579 -14.474 1.00 0.00 H new ATOM 1523 N SER A 95 8.337 10.938 -15.567 1.00 0.00 N ATOM 1524 CA SER A 95 9.612 11.516 -16.080 1.00 0.00 C ATOM 1525 C SER A 95 9.999 12.733 -15.242 1.00 0.00 C ATOM 1526 O SER A 95 11.024 13.347 -15.473 1.00 0.00 O ATOM 1527 CB SER A 95 9.423 11.951 -17.533 1.00 0.00 C ATOM 1528 OG SER A 95 9.084 10.819 -18.324 1.00 0.00 O ATOM 0 H SER A 95 7.496 11.252 -16.052 1.00 0.00 H new ATOM 0 HA SER A 95 10.399 10.764 -16.017 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.637 12.704 -17.600 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.337 12.410 -17.909 1.00 0.00 H new ATOM 0 HG SER A 95 8.961 11.096 -19.256 1.00 0.00 H new ATOM 1534 N GLU A 96 9.187 13.095 -14.276 1.00 0.00 N ATOM 1535 CA GLU A 96 9.502 14.285 -13.424 1.00 0.00 C ATOM 1536 C GLU A 96 9.772 13.830 -11.975 1.00 0.00 C ATOM 1537 O GLU A 96 8.999 13.074 -11.417 1.00 0.00 O ATOM 1538 CB GLU A 96 8.300 15.230 -13.428 1.00 0.00 C ATOM 1539 CG GLU A 96 8.709 16.562 -12.800 1.00 0.00 C ATOM 1540 CD GLU A 96 7.503 17.500 -12.747 1.00 0.00 C ATOM 1541 OE1 GLU A 96 6.704 17.354 -11.837 1.00 0.00 O ATOM 1542 OE2 GLU A 96 7.400 18.351 -13.616 1.00 0.00 O ATOM 0 H GLU A 96 8.318 12.616 -14.041 1.00 0.00 H new ATOM 0 HA GLU A 96 10.383 14.791 -13.818 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.949 15.387 -14.448 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.473 14.789 -12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.098 16.397 -11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.511 17.018 -13.381 1.00 0.00 H new ATOM 1549 N PRO A 97 10.851 14.280 -11.358 1.00 0.00 N ATOM 1550 CA PRO A 97 11.180 13.891 -9.954 1.00 0.00 C ATOM 1551 C PRO A 97 10.268 14.575 -8.928 1.00 0.00 C ATOM 1552 O PRO A 97 9.750 15.648 -9.162 1.00 0.00 O ATOM 1553 CB PRO A 97 12.641 14.341 -9.789 1.00 0.00 C ATOM 1554 CG PRO A 97 12.793 15.493 -10.728 1.00 0.00 C ATOM 1555 CD PRO A 97 11.866 15.203 -11.910 1.00 0.00 C ATOM 0 HA PRO A 97 11.036 12.825 -9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.850 14.638 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.333 13.536 -10.035 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.523 16.430 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.827 15.592 -11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.409 16.116 -12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.408 14.749 -12.739 1.00 0.00 H new ATOM 1563 N ILE A 98 10.073 13.953 -7.791 1.00 0.00 N ATOM 1564 CA ILE A 98 9.196 14.542 -6.726 1.00 0.00 C ATOM 1565 C ILE A 98 10.060 14.950 -5.535 1.00 0.00 C ATOM 1566 O ILE A 98 10.920 14.212 -5.098 1.00 0.00 O ATOM 1567 CB ILE A 98 8.160 13.505 -6.290 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.235 13.204 -7.472 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.337 14.051 -5.118 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.375 11.980 -7.160 1.00 0.00 C ATOM 0 H ILE A 98 10.488 13.053 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 98 8.679 15.420 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 98 8.665 12.593 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.598 14.065 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.825 13.025 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.601 13.307 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.999 14.272 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.825 14.963 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.719 11.771 -8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.019 11.119 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.773 12.175 -6.273 1.00 0.00 H new ATOM 1582 N GLU A 99 9.841 16.124 -5.007 1.00 0.00 N ATOM 1583 CA GLU A 99 10.653 16.589 -3.843 1.00 0.00 C ATOM 1584 C GLU A 99 9.931 16.250 -2.538 1.00 0.00 C ATOM 1585 O GLU A 99 8.842 16.719 -2.277 1.00 0.00 O ATOM 1586 CB GLU A 99 10.850 18.102 -3.942 1.00 0.00 C ATOM 1587 CG GLU A 99 11.741 18.582 -2.794 1.00 0.00 C ATOM 1588 CD GLU A 99 12.007 20.082 -2.950 1.00 0.00 C ATOM 1589 OE1 GLU A 99 11.747 20.600 -4.023 1.00 0.00 O ATOM 1590 OE2 GLU A 99 12.468 20.685 -1.994 1.00 0.00 O ATOM 0 H GLU A 99 9.134 16.783 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 99 11.622 16.090 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.304 18.357 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.885 18.608 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.258 18.385 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.682 18.032 -2.795 1.00 0.00 H new ATOM 1597 N VAL A 100 10.543 15.443 -1.714 1.00 0.00 N ATOM 1598 CA VAL A 100 9.932 15.061 -0.412 1.00 0.00 C ATOM 1599 C VAL A 100 11.012 15.164 0.671 1.00 0.00 C ATOM 1600 O VAL A 100 10.734 15.464 1.816 1.00 0.00 O ATOM 1601 CB VAL A 100 9.416 13.621 -0.509 1.00 0.00 C ATOM 1602 CG1 VAL A 100 10.484 12.738 -1.158 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.106 13.087 0.889 1.00 0.00 C ATOM 0 H VAL A 100 11.457 15.026 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 100 9.099 15.719 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 100 8.509 13.607 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.117 11.714 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.707 13.112 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.390 12.759 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.740 12.063 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.012 13.105 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.345 13.712 1.357 1.00 0.00 H new ATOM 1613 N GLY A 101 12.243 14.920 0.309 1.00 0.00 N ATOM 1614 CA GLY A 101 13.347 15.001 1.303 1.00 0.00 C ATOM 1615 C GLY A 101 13.430 16.422 1.857 1.00 0.00 C ATOM 1616 O GLY A 101 13.914 17.327 1.202 1.00 0.00 O ATOM 0 H GLY A 101 12.530 14.667 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.174 14.293 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.292 14.726 0.836 1.00 0.00 H new ATOM 1620 N LEU A 102 12.963 16.622 3.060 1.00 0.00 N ATOM 1621 CA LEU A 102 13.004 17.982 3.678 1.00 0.00 C ATOM 1622 C LEU A 102 12.577 19.027 2.641 1.00 0.00 C ATOM 1623 O LEU A 102 13.375 19.787 2.131 1.00 0.00 O ATOM 1624 CB LEU A 102 14.427 18.263 4.163 1.00 0.00 C ATOM 1625 CG LEU A 102 14.862 17.152 5.128 1.00 0.00 C ATOM 1626 CD1 LEU A 102 16.308 17.396 5.568 1.00 0.00 C ATOM 1627 CD2 LEU A 102 13.944 17.136 6.362 1.00 0.00 C ATOM 0 H LEU A 102 12.551 15.896 3.647 1.00 0.00 H new ATOM 0 HA LEU A 102 12.320 18.031 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.110 18.312 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.469 19.231 4.662 1.00 0.00 H new ATOM 0 HG LEU A 102 14.791 16.190 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.618 16.607 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.960 17.394 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.378 18.361 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.261 16.344 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.004 18.097 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.916 16.955 6.048 1.00 0.00 H new ATOM 1639 N GLU A 103 11.310 19.050 2.326 1.00 0.00 N ATOM 1640 CA GLU A 103 10.790 20.015 1.320 1.00 0.00 C ATOM 1641 C GLU A 103 10.920 21.450 1.840 1.00 0.00 C ATOM 1642 O GLU A 103 10.485 21.772 2.928 1.00 0.00 O ATOM 1643 CB GLU A 103 9.317 19.698 1.055 1.00 0.00 C ATOM 1644 CG GLU A 103 8.770 20.629 -0.025 1.00 0.00 C ATOM 1645 CD GLU A 103 7.321 20.247 -0.334 1.00 0.00 C ATOM 1646 OE1 GLU A 103 6.920 19.162 0.053 1.00 0.00 O ATOM 1647 OE2 GLU A 103 6.638 21.045 -0.956 1.00 0.00 O ATOM 0 H GLU A 103 10.606 18.432 2.729 1.00 0.00 H new ATOM 0 HA GLU A 103 11.367 19.927 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.211 18.660 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.741 19.814 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.822 21.665 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.378 20.556 -0.927 1.00 0.00 H new ATOM 1654 N HIS A 104 11.508 22.312 1.058 1.00 0.00 N ATOM 1655 CA HIS A 104 11.668 23.732 1.476 1.00 0.00 C ATOM 1656 C HIS A 104 11.799 24.599 0.224 1.00 0.00 C ATOM 1657 O HIS A 104 11.869 24.098 -0.880 1.00 0.00 O ATOM 1658 CB HIS A 104 12.923 23.883 2.343 1.00 0.00 C ATOM 1659 CG HIS A 104 12.930 25.243 2.987 1.00 0.00 C ATOM 1660 ND1 HIS A 104 13.671 26.299 2.479 1.00 0.00 N ATOM 1661 CD2 HIS A 104 12.289 25.735 4.097 1.00 0.00 C ATOM 1662 CE1 HIS A 104 13.461 27.362 3.277 1.00 0.00 C ATOM 1663 NE2 HIS A 104 12.626 27.073 4.279 1.00 0.00 N ATOM 0 H HIS A 104 11.888 22.090 0.138 1.00 0.00 H new ATOM 0 HA HIS A 104 10.801 24.045 2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.944 23.107 3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 104 13.817 23.754 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.624 25.169 4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.913 28.331 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.305 27.698 5.018 1.00 0.00 H new ATOM 1671 N HIS A 105 11.827 25.894 0.384 1.00 0.00 N ATOM 1672 CA HIS A 105 11.951 26.792 -0.802 1.00 0.00 C ATOM 1673 C HIS A 105 13.225 26.443 -1.577 1.00 0.00 C ATOM 1674 O HIS A 105 13.752 25.354 -1.471 1.00 0.00 O ATOM 1675 CB HIS A 105 12.032 28.245 -0.330 1.00 0.00 C ATOM 1676 CG HIS A 105 10.787 28.596 0.439 1.00 0.00 C ATOM 1677 ND1 HIS A 105 9.564 28.796 -0.184 1.00 0.00 N ATOM 1678 CD2 HIS A 105 10.561 28.789 1.779 1.00 0.00 C ATOM 1679 CE1 HIS A 105 8.666 29.096 0.773 1.00 0.00 C ATOM 1680 NE2 HIS A 105 9.222 29.105 1.988 1.00 0.00 N ATOM 0 H HIS A 105 11.769 26.370 1.284 1.00 0.00 H new ATOM 0 HA HIS A 105 11.083 26.662 -1.448 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.911 28.385 0.298 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.143 28.910 -1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.309 28.708 2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 105 7.624 29.304 0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.763 29.301 2.878 1.00 0.00 H new ATOM 1688 N HIS A 106 13.728 27.364 -2.353 1.00 0.00 N ATOM 1689 CA HIS A 106 14.970 27.086 -3.130 1.00 0.00 C ATOM 1690 C HIS A 106 16.173 27.154 -2.189 1.00 0.00 C ATOM 1691 O HIS A 106 17.279 26.796 -2.546 1.00 0.00 O ATOM 1692 CB HIS A 106 15.124 28.128 -4.240 1.00 0.00 C ATOM 1693 CG HIS A 106 13.928 28.071 -5.150 1.00 0.00 C ATOM 1694 ND1 HIS A 106 12.793 28.836 -4.930 1.00 0.00 N ATOM 1695 CD2 HIS A 106 13.675 27.342 -6.286 1.00 0.00 C ATOM 1696 CE1 HIS A 106 11.916 28.551 -5.911 1.00 0.00 C ATOM 1697 NE2 HIS A 106 12.404 27.646 -6.764 1.00 0.00 N ATOM 0 H HIS A 106 13.334 28.296 -2.483 1.00 0.00 H new ATOM 0 HA HIS A 106 14.911 26.094 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 106 15.218 29.124 -3.808 1.00 0.00 H new ATOM 0 HB3 HIS A 106 16.035 27.939 -4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.359 26.640 -6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 106 10.937 28.999 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 106 11.944 27.261 -7.589 1.00 0.00 H new ATOM 1705 N HIS A 107 15.960 27.611 -0.987 1.00 0.00 N ATOM 1706 CA HIS A 107 17.078 27.711 -0.008 1.00 0.00 C ATOM 1707 C HIS A 107 17.706 26.331 0.205 1.00 0.00 C ATOM 1708 O HIS A 107 17.033 25.379 0.548 1.00 0.00 O ATOM 1709 CB HIS A 107 16.529 28.226 1.325 1.00 0.00 C ATOM 1710 CG HIS A 107 17.657 28.400 2.303 1.00 0.00 C ATOM 1711 ND1 HIS A 107 18.060 27.383 3.155 1.00 0.00 N ATOM 1712 CD2 HIS A 107 18.472 29.469 2.583 1.00 0.00 C ATOM 1713 CE1 HIS A 107 19.075 27.856 3.900 1.00 0.00 C ATOM 1714 NE2 HIS A 107 19.368 29.123 3.591 1.00 0.00 N ATOM 0 H HIS A 107 15.053 27.922 -0.638 1.00 0.00 H new ATOM 0 HA HIS A 107 17.835 28.396 -0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.015 29.175 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.795 27.525 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.425 30.432 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.590 27.282 4.656 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.092 29.710 4.005 1.00 0.00 H new ATOM 1722 N HIS A 108 18.994 26.215 0.012 1.00 0.00 N ATOM 1723 CA HIS A 108 19.669 24.897 0.210 1.00 0.00 C ATOM 1724 C HIS A 108 21.107 25.125 0.684 1.00 0.00 C ATOM 1725 O HIS A 108 21.796 26.007 0.210 1.00 0.00 O ATOM 1726 CB HIS A 108 19.682 24.121 -1.109 1.00 0.00 C ATOM 1727 CG HIS A 108 20.082 22.695 -0.844 1.00 0.00 C ATOM 1728 ND1 HIS A 108 21.403 22.321 -0.659 1.00 0.00 N ATOM 1729 CD2 HIS A 108 19.345 21.543 -0.722 1.00 0.00 C ATOM 1730 CE1 HIS A 108 21.422 20.994 -0.438 1.00 0.00 C ATOM 1731 NE2 HIS A 108 20.193 20.470 -0.466 1.00 0.00 N ATOM 0 H HIS A 108 19.609 26.977 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 108 19.126 24.323 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.696 24.154 -1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.379 24.582 -1.809 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.271 21.479 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 108 22.321 20.422 -0.260 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.933 19.493 -0.329 1.00 0.00 H new ATOM 1739 N HIS A 109 21.561 24.336 1.618 1.00 0.00 N ATOM 1740 CA HIS A 109 22.951 24.501 2.130 1.00 0.00 C ATOM 1741 C HIS A 109 23.943 23.905 1.126 1.00 0.00 C ATOM 1742 O HIS A 109 24.286 22.745 1.280 1.00 0.00 O ATOM 1743 CB HIS A 109 23.081 23.773 3.470 1.00 0.00 C ATOM 1744 CG HIS A 109 22.411 22.430 3.373 1.00 0.00 C ATOM 1745 ND1 HIS A 109 23.121 21.265 3.130 1.00 0.00 N ATOM 1746 CD2 HIS A 109 21.095 22.052 3.480 1.00 0.00 C ATOM 1747 CE1 HIS A 109 22.237 20.250 3.099 1.00 0.00 C ATOM 1748 NE2 HIS A 109 20.988 20.675 3.307 1.00 0.00 N ATOM 1749 OXT HIS A 109 24.344 24.621 0.224 1.00 0.00 O ATOM 0 H HIS A 109 21.028 23.582 2.050 1.00 0.00 H new ATOM 0 HA HIS A 109 23.168 25.561 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 109 24.132 23.650 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 109 22.624 24.364 4.264 1.00 0.00 H new ATOM 0 HD1 HIS A 109 24.130 21.190 2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.269 22.721 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.505 19.218 2.927 1.00 0.00 H new TER 1757 HIS A 109