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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0432 (180deg=-0.384) USER MOD Single : A 4 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.34) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.968 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -4.67! C(o=-4.7!,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -1.76 (180deg=-3.95!) USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= -1.15 (180deg=-3.02!) USER MOD Single : A 26 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.5) USER MOD Single : A 30 ASN : amide:sc= -1.53 K(o=-1.5,f=-13!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.61) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 45 THR OG1 : rot -86:sc= 0.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0794 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.0432 (180deg=-0.375) USER MOD Single : A 55 ASN : amide:sc= -0.0872 K(o=-0.087,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= -2.71! C(o=-2.7!,f=-7.4!) USER MOD Single : A 66 SER OG : rot -80:sc= -0.566 USER MOD Single : A 67 TYR OH : rot 30:sc= 0.402 USER MOD Single : A 71 SER OG : rot -68:sc= 1.05 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0469 K(o=-0.047,f=-1.9!) USER MOD Single : A 82 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 ASN : amide:sc= -1.66 X(o=-1.7,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ -125:sc= -1.59 (180deg=-3.92!) USER MOD Single : A 88 ASN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 89 SER OG : rot 91:sc= 0.737 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.933 (180deg=-1.54) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.0033) USER MOD Single : A 106 HIS : no HD1:sc= 0.0868 K(o=0.087,f=-3.2!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00906 K(o=-0.0091,f=-0.87) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.335 11.588 -18.471 1.00 0.00 N ATOM 2 CA MET A 1 -7.202 11.737 -17.515 1.00 0.00 C ATOM 3 C MET A 1 -7.632 12.633 -16.350 1.00 0.00 C ATOM 4 O MET A 1 -7.378 13.822 -16.338 1.00 0.00 O ATOM 5 CB MET A 1 -6.003 12.355 -18.237 1.00 0.00 C ATOM 6 CG MET A 1 -5.456 11.351 -19.256 1.00 0.00 C ATOM 7 SD MET A 1 -4.052 12.076 -20.140 1.00 0.00 S ATOM 8 CE MET A 1 -3.888 10.789 -21.404 1.00 0.00 C ATOM 0 H1 MET A 1 -8.175 10.754 -19.071 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.222 11.469 -17.942 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.399 12.437 -19.068 1.00 0.00 H new ATOM 0 HA MET A 1 -6.919 10.759 -17.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.301 13.275 -18.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.228 12.621 -17.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.146 10.437 -18.749 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.238 11.074 -19.963 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.064 11.038 -22.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.689 9.831 -20.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.813 10.722 -21.977 1.00 0.00 H new ATOM 20 N GLU A 2 -8.284 12.066 -15.369 1.00 0.00 N ATOM 21 CA GLU A 2 -8.735 12.871 -14.199 1.00 0.00 C ATOM 22 C GLU A 2 -9.151 11.926 -13.067 1.00 0.00 C ATOM 23 O GLU A 2 -10.272 11.966 -12.599 1.00 0.00 O ATOM 24 CB GLU A 2 -9.931 13.742 -14.600 1.00 0.00 C ATOM 25 CG GLU A 2 -10.162 14.813 -13.531 1.00 0.00 C ATOM 26 CD GLU A 2 -11.489 15.528 -13.796 1.00 0.00 C ATOM 27 OE1 GLU A 2 -12.440 14.856 -14.160 1.00 0.00 O ATOM 28 OE2 GLU A 2 -11.532 16.736 -13.628 1.00 0.00 O ATOM 0 H GLU A 2 -8.524 11.075 -15.329 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.920 13.512 -13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.745 14.211 -15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.823 13.125 -14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.175 14.356 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.343 15.532 -13.539 1.00 0.00 H new ATOM 35 N PRO A 3 -8.252 11.079 -12.633 1.00 0.00 N ATOM 36 CA PRO A 3 -8.525 10.102 -11.536 1.00 0.00 C ATOM 37 C PRO A 3 -8.647 10.787 -10.168 1.00 0.00 C ATOM 38 O PRO A 3 -8.210 11.904 -9.980 1.00 0.00 O ATOM 39 CB PRO A 3 -7.316 9.155 -11.584 1.00 0.00 C ATOM 40 CG PRO A 3 -6.209 9.974 -12.167 1.00 0.00 C ATOM 41 CD PRO A 3 -6.870 10.960 -13.137 1.00 0.00 C ATOM 0 HA PRO A 3 -9.475 9.585 -11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.058 8.793 -10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.525 8.279 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.664 10.503 -11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.489 9.341 -12.686 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.360 11.923 -13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.849 10.588 -14.161 1.00 0.00 H new ATOM 49 N GLN A 4 -9.244 10.124 -9.218 1.00 0.00 N ATOM 50 CA GLN A 4 -9.401 10.731 -7.868 1.00 0.00 C ATOM 51 C GLN A 4 -8.074 10.644 -7.109 1.00 0.00 C ATOM 52 O GLN A 4 -7.584 9.571 -6.806 1.00 0.00 O ATOM 53 CB GLN A 4 -10.486 9.966 -7.107 1.00 0.00 C ATOM 54 CG GLN A 4 -11.833 10.151 -7.815 1.00 0.00 C ATOM 55 CD GLN A 4 -12.264 11.616 -7.722 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.301 12.183 -6.649 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.591 12.258 -8.810 1.00 0.00 N ATOM 0 H GLN A 4 -9.631 9.186 -9.319 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.687 11.779 -7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.232 8.907 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.550 10.328 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.750 9.851 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.587 9.510 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.560 11.782 -9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.877 13.236 -8.759 1.00 0.00 H new ATOM 66 N LEU A 5 -7.484 11.771 -6.806 1.00 0.00 N ATOM 67 CA LEU A 5 -6.183 11.770 -6.075 1.00 0.00 C ATOM 68 C LEU A 5 -6.445 11.830 -4.570 1.00 0.00 C ATOM 69 O LEU A 5 -7.214 12.645 -4.096 1.00 0.00 O ATOM 70 CB LEU A 5 -5.378 13.002 -6.493 1.00 0.00 C ATOM 71 CG LEU A 5 -5.230 13.032 -8.018 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.465 14.293 -8.428 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.471 11.784 -8.499 1.00 0.00 C ATOM 0 H LEU A 5 -7.849 12.696 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.628 10.863 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.877 13.908 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.395 12.982 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.219 13.040 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.358 14.317 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.014 15.175 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.478 14.286 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.371 11.815 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.481 11.762 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.022 10.889 -8.211 1.00 0.00 H new ATOM 85 N THR A 6 -5.808 10.968 -3.819 1.00 0.00 N ATOM 86 CA THR A 6 -6.001 10.945 -2.336 1.00 0.00 C ATOM 87 C THR A 6 -4.641 11.085 -1.654 1.00 0.00 C ATOM 88 O THR A 6 -3.649 10.543 -2.103 1.00 0.00 O ATOM 89 CB THR A 6 -6.655 9.626 -1.933 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.904 9.504 -2.602 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.879 9.613 -0.421 1.00 0.00 C ATOM 0 H THR A 6 -5.154 10.270 -4.174 1.00 0.00 H new ATOM 0 HA THR A 6 -6.644 11.770 -2.030 1.00 0.00 H new ATOM 0 HB THR A 6 -6.009 8.792 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.464 8.852 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.346 8.672 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.921 9.716 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.529 10.442 -0.142 1.00 0.00 H new ATOM 99 N LYS A 7 -4.582 11.822 -0.577 1.00 0.00 N ATOM 100 CA LYS A 7 -3.287 12.023 0.137 1.00 0.00 C ATOM 101 C LYS A 7 -3.187 11.060 1.319 1.00 0.00 C ATOM 102 O LYS A 7 -4.176 10.634 1.876 1.00 0.00 O ATOM 103 CB LYS A 7 -3.236 13.457 0.664 1.00 0.00 C ATOM 104 CG LYS A 7 -3.435 14.450 -0.488 1.00 0.00 C ATOM 105 CD LYS A 7 -2.255 14.375 -1.462 1.00 0.00 C ATOM 106 CE LYS A 7 -2.244 15.621 -2.349 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.077 15.554 -3.272 1.00 0.00 N ATOM 0 H LYS A 7 -5.382 12.297 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.461 11.837 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.009 13.603 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.278 13.640 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.364 14.227 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.526 15.462 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.318 14.301 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.334 13.479 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.171 15.684 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.186 16.519 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.065 16.399 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.198 15.512 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.152 14.704 -3.866 1.00 0.00 H new ATOM 121 N ILE A 8 -1.992 10.696 1.682 1.00 0.00 N ATOM 122 CA ILE A 8 -1.804 9.733 2.807 1.00 0.00 C ATOM 123 C ILE A 8 -2.490 10.281 4.059 1.00 0.00 C ATOM 124 O ILE A 8 -3.207 9.581 4.746 1.00 0.00 O ATOM 125 CB ILE A 8 -0.303 9.592 3.084 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.376 8.886 1.907 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.082 8.778 4.362 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.894 9.072 2.000 1.00 0.00 C ATOM 0 H ILE A 8 -1.130 11.024 1.247 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.233 8.766 2.546 1.00 0.00 H new ATOM 0 HB ILE A 8 0.129 10.585 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.129 7.824 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.007 9.292 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.987 8.682 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.556 9.285 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.519 7.787 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.374 8.568 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.133 10.135 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.256 8.645 2.935 1.00 0.00 H new ATOM 140 N VAL A 9 -2.286 11.530 4.342 1.00 0.00 N ATOM 141 CA VAL A 9 -2.932 12.145 5.534 1.00 0.00 C ATOM 142 C VAL A 9 -4.457 12.127 5.355 1.00 0.00 C ATOM 143 O VAL A 9 -5.204 12.275 6.300 1.00 0.00 O ATOM 144 CB VAL A 9 -2.448 13.588 5.683 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.911 14.406 4.479 1.00 0.00 C ATOM 146 CG2 VAL A 9 -3.029 14.192 6.963 1.00 0.00 C ATOM 0 H VAL A 9 -1.696 12.159 3.798 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.667 11.580 6.428 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.359 13.602 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.567 15.435 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.498 13.976 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.000 14.391 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.684 15.220 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.118 14.178 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.700 13.608 7.823 1.00 0.00 H new ATOM 156 N ASP A 10 -4.920 11.951 4.142 1.00 0.00 N ATOM 157 CA ASP A 10 -6.394 11.922 3.888 1.00 0.00 C ATOM 158 C ASP A 10 -6.897 10.476 3.942 1.00 0.00 C ATOM 159 O ASP A 10 -8.064 10.207 3.727 1.00 0.00 O ATOM 160 CB ASP A 10 -6.683 12.510 2.504 1.00 0.00 C ATOM 161 CG ASP A 10 -6.346 14.001 2.508 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.206 14.552 3.587 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.232 14.567 1.432 1.00 0.00 O ATOM 0 H ASP A 10 -4.338 11.826 3.314 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.904 12.511 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.093 11.994 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.732 12.363 2.246 1.00 0.00 H new ATOM 168 N ILE A 11 -6.032 9.540 4.234 1.00 0.00 N ATOM 169 CA ILE A 11 -6.466 8.113 4.309 1.00 0.00 C ATOM 170 C ILE A 11 -7.001 7.805 5.710 1.00 0.00 C ATOM 171 O ILE A 11 -6.300 7.927 6.695 1.00 0.00 O ATOM 172 CB ILE A 11 -5.271 7.197 4.007 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.863 7.365 2.536 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.642 5.734 4.285 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.582 6.573 2.244 1.00 0.00 C ATOM 0 H ILE A 11 -5.043 9.702 4.424 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.254 7.940 3.577 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.435 7.471 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.668 7.020 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.705 8.420 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.787 5.094 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.921 5.622 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.482 5.445 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.305 6.702 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.776 6.938 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.754 5.516 2.446 1.00 0.00 H new ATOM 187 N VAL A 12 -8.234 7.378 5.804 1.00 0.00 N ATOM 188 CA VAL A 12 -8.808 7.032 7.139 1.00 0.00 C ATOM 189 C VAL A 12 -9.821 5.893 6.979 1.00 0.00 C ATOM 190 O VAL A 12 -10.500 5.519 7.916 1.00 0.00 O ATOM 191 CB VAL A 12 -9.482 8.261 7.750 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.423 9.329 8.029 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.524 8.822 6.780 1.00 0.00 C ATOM 0 H VAL A 12 -8.868 7.254 5.015 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.009 6.707 7.805 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.976 7.976 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.898 10.208 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.683 8.934 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.932 9.607 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.999 9.697 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.037 9.107 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.279 8.062 6.578 1.00 0.00 H new ATOM 203 N GLU A 13 -9.921 5.331 5.797 1.00 0.00 N ATOM 204 CA GLU A 13 -10.880 4.206 5.565 1.00 0.00 C ATOM 205 C GLU A 13 -10.198 3.129 4.713 1.00 0.00 C ATOM 206 O GLU A 13 -9.533 3.422 3.739 1.00 0.00 O ATOM 207 CB GLU A 13 -12.121 4.732 4.837 1.00 0.00 C ATOM 208 CG GLU A 13 -13.128 3.593 4.663 1.00 0.00 C ATOM 209 CD GLU A 13 -14.406 4.135 4.022 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.574 5.344 4.012 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.196 3.333 3.554 1.00 0.00 O ATOM 0 H GLU A 13 -9.376 5.606 4.980 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.181 3.777 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.571 5.547 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.841 5.137 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.701 2.808 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.356 3.144 5.630 1.00 0.00 H new ATOM 218 N ASN A 14 -10.353 1.882 5.080 1.00 0.00 N ATOM 219 CA ASN A 14 -9.708 0.775 4.306 1.00 0.00 C ATOM 220 C ASN A 14 -10.676 0.227 3.255 1.00 0.00 C ATOM 221 O ASN A 14 -11.876 0.379 3.357 1.00 0.00 O ATOM 222 CB ASN A 14 -9.305 -0.348 5.263 1.00 0.00 C ATOM 223 CG ASN A 14 -10.547 -0.911 5.955 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.661 -0.632 5.558 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.398 -1.700 6.984 1.00 0.00 N ATOM 0 H ASN A 14 -10.901 1.581 5.886 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.824 1.165 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.793 -1.139 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.603 0.030 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.217 -2.083 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.462 -1.934 7.316 1.00 0.00 H new ATOM 232 N GLY A 15 -10.157 -0.418 2.243 1.00 0.00 N ATOM 233 CA GLY A 15 -11.040 -0.984 1.185 1.00 0.00 C ATOM 234 C GLY A 15 -11.553 0.146 0.291 1.00 0.00 C ATOM 235 O GLY A 15 -12.554 0.010 -0.386 1.00 0.00 O ATOM 0 H GLY A 15 -9.159 -0.576 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.490 -1.713 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.878 -1.512 1.640 1.00 0.00 H new ATOM 239 N GLN A 16 -10.876 1.266 0.286 1.00 0.00 N ATOM 240 CA GLN A 16 -11.317 2.416 -0.560 1.00 0.00 C ATOM 241 C GLN A 16 -10.496 2.463 -1.850 1.00 0.00 C ATOM 242 O GLN A 16 -9.333 2.107 -1.876 1.00 0.00 O ATOM 243 CB GLN A 16 -11.125 3.720 0.219 1.00 0.00 C ATOM 244 CG GLN A 16 -11.557 4.900 -0.652 1.00 0.00 C ATOM 245 CD GLN A 16 -11.587 6.173 0.192 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.498 6.379 0.970 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.621 7.041 0.076 1.00 0.00 N ATOM 0 H GLN A 16 -10.033 1.434 0.834 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.370 2.292 -0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.712 3.698 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.081 3.832 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.867 5.021 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.542 4.710 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.856 6.869 -0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.630 7.892 0.638 1.00 0.00 H new ATOM 256 N TRP A 17 -11.100 2.910 -2.923 1.00 0.00 N ATOM 257 CA TRP A 17 -10.378 2.996 -4.227 1.00 0.00 C ATOM 258 C TRP A 17 -9.872 4.424 -4.429 1.00 0.00 C ATOM 259 O TRP A 17 -10.623 5.376 -4.368 1.00 0.00 O ATOM 260 CB TRP A 17 -11.342 2.625 -5.355 1.00 0.00 C ATOM 261 CG TRP A 17 -11.685 1.174 -5.252 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.827 0.679 -4.719 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.901 0.023 -5.679 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.792 -0.702 -4.792 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.625 -1.154 -5.376 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.643 -0.112 -6.292 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -11.121 -2.420 -5.676 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.132 -1.383 -6.595 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.869 -2.537 -6.286 1.00 0.00 C ATOM 0 H TRP A 17 -12.071 3.221 -2.950 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.531 2.310 -4.231 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.246 3.230 -5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.886 2.835 -6.323 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.633 1.266 -4.305 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.537 -1.312 -4.456 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.066 0.769 -6.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.695 -3.304 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.166 -1.474 -7.069 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.470 -3.513 -6.519 1.00 0.00 H new ATOM 280 N ALA A 18 -8.604 4.576 -4.695 1.00 0.00 N ATOM 281 CA ALA A 18 -8.050 5.938 -4.929 1.00 0.00 C ATOM 282 C ALA A 18 -6.713 5.831 -5.667 1.00 0.00 C ATOM 283 O ALA A 18 -6.254 4.753 -5.984 1.00 0.00 O ATOM 284 CB ALA A 18 -7.853 6.654 -3.590 1.00 0.00 C ATOM 0 H ALA A 18 -7.928 3.815 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.749 6.511 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.447 7.650 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.811 6.738 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.160 6.084 -2.971 1.00 0.00 H new ATOM 290 N ASN A 19 -6.077 6.952 -5.917 1.00 0.00 N ATOM 291 CA ASN A 19 -4.748 6.950 -6.609 1.00 0.00 C ATOM 292 C ASN A 19 -3.700 7.543 -5.668 1.00 0.00 C ATOM 293 O ASN A 19 -3.993 8.439 -4.900 1.00 0.00 O ATOM 294 CB ASN A 19 -4.831 7.807 -7.864 1.00 0.00 C ATOM 295 CG ASN A 19 -6.027 7.352 -8.693 1.00 0.00 C ATOM 296 OD1 ASN A 19 -7.158 7.468 -8.265 1.00 0.00 O ATOM 297 ND2 ASN A 19 -5.823 6.831 -9.868 1.00 0.00 N ATOM 0 H ASN A 19 -6.426 7.878 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.474 5.930 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.936 8.858 -7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.913 7.716 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.614 6.519 -10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.872 6.735 -10.225 1.00 0.00 H new ATOM 304 N LEU A 20 -2.481 7.058 -5.717 1.00 0.00 N ATOM 305 CA LEU A 20 -1.411 7.606 -4.820 1.00 0.00 C ATOM 306 C LEU A 20 -0.130 7.847 -5.624 1.00 0.00 C ATOM 307 O LEU A 20 0.371 6.964 -6.293 1.00 0.00 O ATOM 308 CB LEU A 20 -1.116 6.596 -3.702 1.00 0.00 C ATOM 309 CG LEU A 20 0.005 7.124 -2.788 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.395 8.481 -2.184 1.00 0.00 C ATOM 311 CD2 LEU A 20 0.265 6.106 -1.668 1.00 0.00 C ATOM 0 H LEU A 20 -2.181 6.307 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.754 8.547 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.018 6.417 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.822 5.640 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 20 0.914 7.261 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.406 8.843 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.569 9.199 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.307 8.364 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.058 6.475 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.646 5.965 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.567 5.154 -2.105 1.00 0.00 H new ATOM 323 N LYS A 21 0.416 9.034 -5.536 1.00 0.00 N ATOM 324 CA LYS A 21 1.681 9.355 -6.259 1.00 0.00 C ATOM 325 C LYS A 21 2.774 9.628 -5.227 1.00 0.00 C ATOM 326 O LYS A 21 2.595 10.391 -4.299 1.00 0.00 O ATOM 327 CB LYS A 21 1.462 10.595 -7.116 1.00 0.00 C ATOM 328 CG LYS A 21 2.660 10.790 -8.042 1.00 0.00 C ATOM 329 CD LYS A 21 2.373 11.938 -9.013 1.00 0.00 C ATOM 330 CE LYS A 21 2.049 13.218 -8.234 1.00 0.00 C ATOM 331 NZ LYS A 21 0.597 13.239 -7.907 1.00 0.00 N ATOM 0 H LYS A 21 0.033 9.803 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 21 1.977 8.523 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.549 10.489 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.333 11.471 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.553 11.009 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.858 9.872 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.236 12.104 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.537 11.676 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.640 13.261 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.313 14.095 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.185 14.142 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.120 12.455 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.471 13.134 -6.880 1.00 0.00 H new ATOM 345 N ALA A 22 3.904 8.999 -5.383 1.00 0.00 N ATOM 346 CA ALA A 22 5.005 9.218 -4.405 1.00 0.00 C ATOM 347 C ALA A 22 6.325 8.653 -4.928 1.00 0.00 C ATOM 348 O ALA A 22 6.382 7.964 -5.926 1.00 0.00 O ATOM 349 CB ALA A 22 4.648 8.545 -3.077 1.00 0.00 C ATOM 0 H ALA A 22 4.113 8.347 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 22 5.127 10.291 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.453 8.705 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.725 8.975 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.511 7.475 -3.236 1.00 0.00 H new ATOM 355 N LYS A 23 7.386 8.960 -4.229 1.00 0.00 N ATOM 356 CA LYS A 23 8.742 8.476 -4.633 1.00 0.00 C ATOM 357 C LYS A 23 9.130 7.265 -3.789 1.00 0.00 C ATOM 358 O LYS A 23 8.647 7.076 -2.692 1.00 0.00 O ATOM 359 CB LYS A 23 9.766 9.604 -4.450 1.00 0.00 C ATOM 360 CG LYS A 23 10.990 9.347 -5.344 1.00 0.00 C ATOM 361 CD LYS A 23 11.940 10.552 -5.302 1.00 0.00 C ATOM 362 CE LYS A 23 12.772 10.528 -4.016 1.00 0.00 C ATOM 363 NZ LYS A 23 13.489 9.226 -3.911 1.00 0.00 N ATOM 0 H LYS A 23 7.372 9.532 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 23 8.726 8.181 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.314 10.563 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.073 9.663 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.512 8.451 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.668 9.164 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.599 10.535 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.367 11.478 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.488 11.350 -4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.126 10.670 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.054 8.650 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.426 8.721 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.488 9.398 -3.680 1.00 0.00 H new ATOM 377 N VAL A 24 10.002 6.432 -4.299 1.00 0.00 N ATOM 378 CA VAL A 24 10.422 5.218 -3.534 1.00 0.00 C ATOM 379 C VAL A 24 11.742 5.472 -2.802 1.00 0.00 C ATOM 380 O VAL A 24 12.781 5.641 -3.408 1.00 0.00 O ATOM 381 CB VAL A 24 10.593 4.056 -4.508 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.077 2.817 -3.751 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.247 3.756 -5.163 1.00 0.00 C ATOM 0 H VAL A 24 10.442 6.540 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 24 9.658 4.980 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 24 11.326 4.321 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.198 1.989 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.033 3.033 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.345 2.546 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.359 2.927 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.520 3.489 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.899 4.638 -5.700 1.00 0.00 H new ATOM 393 N ILE A 25 11.696 5.494 -1.495 1.00 0.00 N ATOM 394 CA ILE A 25 12.938 5.728 -0.694 1.00 0.00 C ATOM 395 C ILE A 25 13.462 4.389 -0.168 1.00 0.00 C ATOM 396 O ILE A 25 14.622 4.254 0.167 1.00 0.00 O ATOM 397 CB ILE A 25 12.628 6.638 0.496 1.00 0.00 C ATOM 398 CG1 ILE A 25 12.046 7.960 -0.005 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.919 6.925 1.269 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.548 8.785 1.185 1.00 0.00 C ATOM 0 H ILE A 25 10.848 5.359 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 25 13.687 6.201 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 25 11.908 6.143 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.804 8.517 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.226 7.769 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.699 7.573 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.343 5.988 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.635 7.418 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.133 9.727 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.776 8.228 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.379 8.988 1.860 1.00 0.00 H new ATOM 412 N GLN A 26 12.617 3.390 -0.095 1.00 0.00 N ATOM 413 CA GLN A 26 13.068 2.053 0.412 1.00 0.00 C ATOM 414 C GLN A 26 12.289 0.942 -0.294 1.00 0.00 C ATOM 415 O GLN A 26 11.077 0.974 -0.380 1.00 0.00 O ATOM 416 CB GLN A 26 12.815 1.954 1.923 1.00 0.00 C ATOM 417 CG GLN A 26 13.814 2.824 2.691 1.00 0.00 C ATOM 418 CD GLN A 26 15.230 2.278 2.500 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.496 1.131 2.803 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.152 3.050 1.996 1.00 0.00 N ATOM 0 H GLN A 26 11.634 3.441 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 26 14.133 1.943 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.797 2.272 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.904 0.917 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.761 3.854 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.559 2.837 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.929 4.012 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.097 2.692 1.856 1.00 0.00 H new ATOM 429 N LEU A 27 12.992 -0.038 -0.802 1.00 0.00 N ATOM 430 CA LEU A 27 12.339 -1.177 -1.522 1.00 0.00 C ATOM 431 C LEU A 27 12.852 -2.504 -0.965 1.00 0.00 C ATOM 432 O LEU A 27 13.935 -2.583 -0.419 1.00 0.00 O ATOM 433 CB LEU A 27 12.667 -1.090 -3.026 1.00 0.00 C ATOM 434 CG LEU A 27 14.142 -1.459 -3.300 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.425 -1.326 -4.803 1.00 0.00 C ATOM 436 CD2 LEU A 27 15.078 -0.531 -2.508 1.00 0.00 C ATOM 0 H LEU A 27 14.009 -0.099 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 27 11.260 -1.121 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.012 -1.761 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.469 -0.080 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 27 14.321 -2.486 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.465 -1.585 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.771 -1.999 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.240 -0.299 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.114 -0.801 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.907 0.502 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.877 -0.635 -1.442 1.00 0.00 H new ATOM 448 N TRP A 28 12.093 -3.556 -1.123 1.00 0.00 N ATOM 449 CA TRP A 28 12.545 -4.890 -0.631 1.00 0.00 C ATOM 450 C TRP A 28 12.063 -5.978 -1.596 1.00 0.00 C ATOM 451 O TRP A 28 10.884 -6.260 -1.697 1.00 0.00 O ATOM 452 CB TRP A 28 11.977 -5.135 0.763 1.00 0.00 C ATOM 453 CG TRP A 28 12.680 -4.252 1.744 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.146 -3.155 2.323 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.036 -4.372 2.264 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.085 -2.594 3.170 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.266 -3.308 3.169 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.077 -5.291 2.043 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.484 -3.162 3.832 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.305 -5.146 2.709 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.508 -4.084 3.602 1.00 0.00 C ATOM 0 H TRP A 28 11.177 -3.549 -1.573 1.00 0.00 H new ATOM 0 HA TRP A 28 13.634 -4.916 -0.581 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.907 -4.930 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 28 12.104 -6.181 1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.149 -2.777 2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.924 -1.755 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.932 -6.113 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.635 -2.342 4.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.098 -5.857 2.532 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.455 -3.979 4.111 1.00 0.00 H new ATOM 472 N GLU A 29 12.976 -6.580 -2.308 1.00 0.00 N ATOM 473 CA GLU A 29 12.589 -7.648 -3.273 1.00 0.00 C ATOM 474 C GLU A 29 12.127 -8.888 -2.502 1.00 0.00 C ATOM 475 O GLU A 29 12.885 -9.486 -1.764 1.00 0.00 O ATOM 476 CB GLU A 29 13.793 -8.009 -4.147 1.00 0.00 C ATOM 477 CG GLU A 29 14.132 -6.828 -5.058 1.00 0.00 C ATOM 478 CD GLU A 29 15.394 -7.148 -5.859 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.909 -8.243 -5.706 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.825 -6.292 -6.615 1.00 0.00 O ATOM 0 H GLU A 29 13.975 -6.378 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 29 11.777 -7.289 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.650 -8.257 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.570 -8.892 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.301 -6.626 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.285 -5.928 -4.463 1.00 0.00 H new ATOM 487 N ASN A 30 10.887 -9.283 -2.670 1.00 0.00 N ATOM 488 CA ASN A 30 10.367 -10.490 -1.950 1.00 0.00 C ATOM 489 C ASN A 30 10.319 -11.673 -2.921 1.00 0.00 C ATOM 490 O ASN A 30 9.920 -11.530 -4.060 1.00 0.00 O ATOM 491 CB ASN A 30 8.955 -10.200 -1.434 1.00 0.00 C ATOM 492 CG ASN A 30 8.453 -11.386 -0.612 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.305 -12.477 -1.122 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.180 -11.215 0.653 1.00 0.00 N ATOM 0 H ASN A 30 10.210 -8.820 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 30 11.021 -10.730 -1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.959 -9.297 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.282 -10.015 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.842 -11.998 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.304 -10.298 1.082 1.00 0.00 H new ATOM 501 N THR A 31 10.723 -12.839 -2.477 1.00 0.00 N ATOM 502 CA THR A 31 10.706 -14.048 -3.364 1.00 0.00 C ATOM 503 C THR A 31 9.848 -15.135 -2.713 1.00 0.00 C ATOM 504 O THR A 31 9.787 -16.258 -3.173 1.00 0.00 O ATOM 505 CB THR A 31 12.140 -14.552 -3.555 1.00 0.00 C ATOM 506 OG1 THR A 31 12.678 -14.946 -2.301 1.00 0.00 O ATOM 507 CG2 THR A 31 12.993 -13.430 -4.149 1.00 0.00 C ATOM 0 H THR A 31 11.066 -13.007 -1.531 1.00 0.00 H new ATOM 0 HA THR A 31 10.285 -13.794 -4.337 1.00 0.00 H new ATOM 0 HB THR A 31 12.140 -15.408 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.595 -15.270 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.015 -13.784 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.580 -13.130 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.993 -12.576 -3.472 1.00 0.00 H new ATOM 515 N HIS A 32 9.181 -14.801 -1.643 1.00 0.00 N ATOM 516 CA HIS A 32 8.318 -15.798 -0.951 1.00 0.00 C ATOM 517 C HIS A 32 7.149 -16.172 -1.870 1.00 0.00 C ATOM 518 O HIS A 32 6.288 -16.947 -1.507 1.00 0.00 O ATOM 519 CB HIS A 32 7.790 -15.189 0.353 1.00 0.00 C ATOM 520 CG HIS A 32 7.229 -16.272 1.235 1.00 0.00 C ATOM 521 ND1 HIS A 32 7.864 -17.492 1.408 1.00 0.00 N ATOM 522 CD2 HIS A 32 6.099 -16.325 2.012 1.00 0.00 C ATOM 523 CE1 HIS A 32 7.117 -18.221 2.258 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.030 -17.556 2.657 1.00 0.00 N ATOM 0 H HIS A 32 9.197 -13.875 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 32 8.893 -16.695 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.593 -14.666 0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.019 -14.451 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.373 -15.531 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.366 -19.222 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.305 -17.881 3.297 1.00 0.00 H new ATOM 532 N GLU A 33 7.125 -15.624 -3.060 1.00 0.00 N ATOM 533 CA GLU A 33 6.035 -15.928 -4.037 1.00 0.00 C ATOM 534 C GLU A 33 4.719 -15.302 -3.566 1.00 0.00 C ATOM 535 O GLU A 33 4.022 -14.660 -4.325 1.00 0.00 O ATOM 536 CB GLU A 33 5.866 -17.447 -4.184 1.00 0.00 C ATOM 537 CG GLU A 33 5.161 -17.759 -5.506 1.00 0.00 C ATOM 538 CD GLU A 33 6.125 -17.507 -6.668 1.00 0.00 C ATOM 539 OE1 GLU A 33 7.285 -17.243 -6.402 1.00 0.00 O ATOM 540 OE2 GLU A 33 5.685 -17.583 -7.804 1.00 0.00 O ATOM 0 H GLU A 33 7.827 -14.968 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 33 6.304 -15.506 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.840 -17.936 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.287 -17.841 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.825 -18.796 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.273 -17.135 -5.614 1.00 0.00 H new ATOM 547 N SER A 34 4.370 -15.480 -2.323 1.00 0.00 N ATOM 548 CA SER A 34 3.097 -14.887 -1.825 1.00 0.00 C ATOM 549 C SER A 34 3.153 -13.371 -1.990 1.00 0.00 C ATOM 550 O SER A 34 2.220 -12.752 -2.462 1.00 0.00 O ATOM 551 CB SER A 34 2.926 -15.231 -0.347 1.00 0.00 C ATOM 552 OG SER A 34 1.918 -14.401 0.216 1.00 0.00 O ATOM 0 H SER A 34 4.907 -16.007 -1.634 1.00 0.00 H new ATOM 0 HA SER A 34 2.256 -15.287 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.653 -16.280 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.868 -15.089 0.183 1.00 0.00 H new ATOM 0 HG SER A 34 1.805 -14.621 1.164 1.00 0.00 H new ATOM 558 N ILE A 35 4.246 -12.766 -1.600 1.00 0.00 N ATOM 559 CA ILE A 35 4.390 -11.281 -1.718 1.00 0.00 C ATOM 560 C ILE A 35 5.374 -10.952 -2.839 1.00 0.00 C ATOM 561 O ILE A 35 6.427 -11.548 -2.955 1.00 0.00 O ATOM 562 CB ILE A 35 4.911 -10.711 -0.402 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.889 -10.983 0.706 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.110 -9.203 -0.551 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.507 -10.655 2.066 1.00 0.00 C ATOM 0 H ILE A 35 5.055 -13.242 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 35 3.419 -10.841 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 35 5.860 -11.182 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.995 -10.380 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.578 -12.027 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.482 -8.791 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.831 -9.008 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.159 -8.733 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.778 -10.849 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.388 -11.277 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.796 -9.604 2.090 1.00 0.00 H new ATOM 577 N SER A 36 5.030 -10.005 -3.666 1.00 0.00 N ATOM 578 CA SER A 36 5.929 -9.621 -4.789 1.00 0.00 C ATOM 579 C SER A 36 7.004 -8.653 -4.291 1.00 0.00 C ATOM 580 O SER A 36 8.186 -8.940 -4.336 1.00 0.00 O ATOM 581 CB SER A 36 5.097 -8.946 -5.880 1.00 0.00 C ATOM 582 OG SER A 36 5.795 -9.019 -7.116 1.00 0.00 O ATOM 0 H SER A 36 4.159 -9.477 -3.612 1.00 0.00 H new ATOM 0 HA SER A 36 6.415 -10.511 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.127 -9.435 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.907 -7.905 -5.617 1.00 0.00 H new ATOM 0 HG SER A 36 5.263 -8.589 -7.818 1.00 0.00 H new ATOM 588 N GLN A 37 6.605 -7.499 -3.827 1.00 0.00 N ATOM 589 CA GLN A 37 7.605 -6.510 -3.339 1.00 0.00 C ATOM 590 C GLN A 37 6.975 -5.613 -2.273 1.00 0.00 C ATOM 591 O GLN A 37 5.796 -5.320 -2.306 1.00 0.00 O ATOM 592 CB GLN A 37 8.067 -5.646 -4.513 1.00 0.00 C ATOM 593 CG GLN A 37 9.218 -4.749 -4.063 1.00 0.00 C ATOM 594 CD GLN A 37 9.661 -3.869 -5.232 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.897 -3.064 -5.726 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.870 -3.995 -5.702 1.00 0.00 N ATOM 0 H GLN A 37 5.632 -7.200 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 37 8.454 -7.039 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.387 -6.279 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.240 -5.038 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.903 -4.128 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.053 -5.357 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.511 -4.671 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.175 -3.417 -6.485 1.00 0.00 H new ATOM 605 N VAL A 38 7.768 -5.155 -1.341 1.00 0.00 N ATOM 606 CA VAL A 38 7.244 -4.251 -0.271 1.00 0.00 C ATOM 607 C VAL A 38 8.266 -3.145 -0.030 1.00 0.00 C ATOM 608 O VAL A 38 9.444 -3.316 -0.272 1.00 0.00 O ATOM 609 CB VAL A 38 7.026 -5.046 1.021 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.056 -6.196 0.757 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.361 -5.609 1.511 1.00 0.00 C ATOM 0 H VAL A 38 8.763 -5.369 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 38 6.292 -3.820 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 38 6.610 -4.387 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.902 -6.760 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.102 -5.796 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.471 -6.854 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.202 -6.174 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.780 -6.266 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.053 -4.789 1.704 1.00 0.00 H new ATOM 621 N GLY A 39 7.837 -2.010 0.444 1.00 0.00 N ATOM 622 CA GLY A 39 8.809 -0.911 0.687 1.00 0.00 C ATOM 623 C GLY A 39 8.098 0.289 1.305 1.00 0.00 C ATOM 624 O GLY A 39 7.026 0.171 1.868 1.00 0.00 O ATOM 0 H GLY A 39 6.866 -1.797 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.602 -1.256 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.283 -0.620 -0.250 1.00 0.00 H new ATOM 628 N LEU A 40 8.701 1.448 1.199 1.00 0.00 N ATOM 629 CA LEU A 40 8.095 2.687 1.777 1.00 0.00 C ATOM 630 C LEU A 40 7.977 3.751 0.688 1.00 0.00 C ATOM 631 O LEU A 40 8.812 3.850 -0.189 1.00 0.00 O ATOM 632 CB LEU A 40 8.995 3.207 2.902 1.00 0.00 C ATOM 633 CG LEU A 40 8.271 4.310 3.698 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.272 3.692 4.693 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.304 5.143 4.468 1.00 0.00 C ATOM 0 H LEU A 40 9.597 1.589 0.732 1.00 0.00 H new ATOM 0 HA LEU A 40 7.104 2.462 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.267 2.388 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.922 3.599 2.484 1.00 0.00 H new ATOM 0 HG LEU A 40 7.725 4.945 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.771 4.486 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.532 3.106 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.805 3.046 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.794 5.924 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.852 4.498 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.001 5.599 3.765 1.00 0.00 H new ATOM 647 N LEU A 41 6.940 4.549 0.739 1.00 0.00 N ATOM 648 CA LEU A 41 6.745 5.616 -0.288 1.00 0.00 C ATOM 649 C LEU A 41 7.005 6.980 0.349 1.00 0.00 C ATOM 650 O LEU A 41 6.463 7.307 1.390 1.00 0.00 O ATOM 651 CB LEU A 41 5.306 5.559 -0.800 1.00 0.00 C ATOM 652 CG LEU A 41 4.996 4.143 -1.297 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.545 4.076 -1.780 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.947 3.769 -2.447 1.00 0.00 C ATOM 0 H LEU A 41 6.214 4.506 1.455 1.00 0.00 H new ATOM 0 HA LEU A 41 7.436 5.464 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.614 5.836 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.167 6.278 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 41 5.137 3.437 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.325 3.069 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.876 4.326 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.399 4.786 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.720 2.761 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.819 4.473 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.978 3.807 -2.094 1.00 0.00 H new ATOM 666 N GLY A 42 7.841 7.771 -0.272 1.00 0.00 N ATOM 667 CA GLY A 42 8.173 9.121 0.271 1.00 0.00 C ATOM 668 C GLY A 42 7.302 10.185 -0.393 1.00 0.00 C ATOM 669 O GLY A 42 7.600 10.652 -1.473 1.00 0.00 O ATOM 0 H GLY A 42 8.314 7.535 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.018 9.135 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.226 9.342 0.097 1.00 0.00 H new ATOM 673 N ASP A 43 6.237 10.581 0.253 1.00 0.00 N ATOM 674 CA ASP A 43 5.343 11.630 -0.330 1.00 0.00 C ATOM 675 C ASP A 43 5.594 12.965 0.370 1.00 0.00 C ATOM 676 O ASP A 43 6.185 13.024 1.431 1.00 0.00 O ATOM 677 CB ASP A 43 3.886 11.230 -0.132 1.00 0.00 C ATOM 678 CG ASP A 43 2.985 12.150 -0.959 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.485 12.755 -1.894 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.810 12.235 -0.643 1.00 0.00 O ATOM 0 H ASP A 43 5.945 10.223 1.162 1.00 0.00 H new ATOM 0 HA ASP A 43 5.555 11.728 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.739 10.193 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.620 11.296 0.923 1.00 0.00 H new ATOM 685 N GLU A 44 5.137 14.034 -0.217 1.00 0.00 N ATOM 686 CA GLU A 44 5.326 15.375 0.399 1.00 0.00 C ATOM 687 C GLU A 44 4.440 15.514 1.638 1.00 0.00 C ATOM 688 O GLU A 44 4.675 16.348 2.488 1.00 0.00 O ATOM 689 CB GLU A 44 4.944 16.446 -0.621 1.00 0.00 C ATOM 690 CG GLU A 44 5.958 16.439 -1.764 1.00 0.00 C ATOM 691 CD GLU A 44 5.514 17.424 -2.845 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.465 18.023 -2.679 1.00 0.00 O ATOM 693 OE2 GLU A 44 6.231 17.563 -3.823 1.00 0.00 O ATOM 0 H GLU A 44 4.636 14.036 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 44 6.368 15.494 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.942 16.256 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.922 17.426 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.945 16.713 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.043 15.436 -2.183 1.00 0.00 H new ATOM 700 N THR A 45 3.416 14.709 1.746 1.00 0.00 N ATOM 701 CA THR A 45 2.511 14.806 2.929 1.00 0.00 C ATOM 702 C THR A 45 3.024 13.886 4.036 1.00 0.00 C ATOM 703 O THR A 45 2.599 13.966 5.170 1.00 0.00 O ATOM 704 CB THR A 45 1.099 14.372 2.519 1.00 0.00 C ATOM 705 OG1 THR A 45 1.092 12.975 2.259 1.00 0.00 O ATOM 706 CG2 THR A 45 0.676 15.130 1.258 1.00 0.00 C ATOM 0 H THR A 45 3.167 13.989 1.067 1.00 0.00 H new ATOM 0 HA THR A 45 2.488 15.834 3.292 1.00 0.00 H new ATOM 0 HB THR A 45 0.401 14.596 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.358 12.814 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.328 14.821 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.682 16.201 1.458 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.372 14.908 0.449 1.00 0.00 H new ATOM 714 N GLY A 46 3.945 13.017 3.717 1.00 0.00 N ATOM 715 CA GLY A 46 4.490 12.100 4.758 1.00 0.00 C ATOM 716 C GLY A 46 5.004 10.817 4.106 1.00 0.00 C ATOM 717 O GLY A 46 5.474 10.819 2.986 1.00 0.00 O ATOM 0 H GLY A 46 4.342 12.903 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.298 12.591 5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.715 11.862 5.487 1.00 0.00 H new ATOM 721 N ILE A 47 4.926 9.720 4.817 1.00 0.00 N ATOM 722 CA ILE A 47 5.415 8.418 4.274 1.00 0.00 C ATOM 723 C ILE A 47 4.356 7.335 4.500 1.00 0.00 C ATOM 724 O ILE A 47 3.491 7.463 5.345 1.00 0.00 O ATOM 725 CB ILE A 47 6.713 8.020 4.999 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.559 8.206 6.531 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.882 8.853 4.468 1.00 0.00 C ATOM 728 CD1 ILE A 47 6.981 9.618 6.982 1.00 0.00 C ATOM 0 H ILE A 47 4.540 9.672 5.760 1.00 0.00 H new ATOM 0 HA ILE A 47 5.606 8.520 3.206 1.00 0.00 H new ATOM 0 HB ILE A 47 6.917 6.967 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.522 8.028 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.164 7.463 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.798 8.566 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.999 8.676 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.683 9.911 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.858 9.707 8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.026 9.786 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.358 10.361 6.483 1.00 0.00 H new ATOM 740 N ILE A 48 4.422 6.267 3.755 1.00 0.00 N ATOM 741 CA ILE A 48 3.430 5.169 3.932 1.00 0.00 C ATOM 742 C ILE A 48 4.001 3.862 3.372 1.00 0.00 C ATOM 743 O ILE A 48 4.665 3.847 2.356 1.00 0.00 O ATOM 744 CB ILE A 48 2.137 5.529 3.204 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.138 4.382 3.343 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.431 5.787 1.726 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.233 4.843 2.853 1.00 0.00 C ATOM 0 H ILE A 48 5.121 6.107 3.030 1.00 0.00 H new ATOM 0 HA ILE A 48 3.219 5.037 4.993 1.00 0.00 H new ATOM 0 HB ILE A 48 1.712 6.431 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.473 3.521 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.076 4.063 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.506 6.044 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.138 6.611 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.859 4.890 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.948 4.026 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.567 5.691 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.164 5.141 1.807 1.00 0.00 H new ATOM 759 N LYS A 49 3.740 2.768 4.033 1.00 0.00 N ATOM 760 CA LYS A 49 4.256 1.451 3.558 1.00 0.00 C ATOM 761 C LYS A 49 3.258 0.832 2.584 1.00 0.00 C ATOM 762 O LYS A 49 2.061 0.979 2.744 1.00 0.00 O ATOM 763 CB LYS A 49 4.431 0.517 4.757 1.00 0.00 C ATOM 764 CG LYS A 49 5.001 -0.823 4.287 1.00 0.00 C ATOM 765 CD LYS A 49 5.229 -1.728 5.496 1.00 0.00 C ATOM 766 CE LYS A 49 5.813 -3.061 5.024 1.00 0.00 C ATOM 767 NZ LYS A 49 6.062 -3.936 6.202 1.00 0.00 N ATOM 0 H LYS A 49 3.187 2.729 4.889 1.00 0.00 H new ATOM 0 HA LYS A 49 5.213 1.595 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.099 0.971 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.473 0.362 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.313 -1.298 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.939 -0.665 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.909 -1.249 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.289 -1.895 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.124 -3.549 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.742 -2.891 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.459 -4.843 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.734 -3.470 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.167 -4.107 6.703 1.00 0.00 H new ATOM 781 N PHE A 50 3.719 0.135 1.571 1.00 0.00 N ATOM 782 CA PHE A 50 2.772 -0.494 0.601 1.00 0.00 C ATOM 783 C PHE A 50 3.320 -1.871 0.210 1.00 0.00 C ATOM 784 O PHE A 50 4.500 -2.138 0.354 1.00 0.00 O ATOM 785 CB PHE A 50 2.648 0.393 -0.647 1.00 0.00 C ATOM 786 CG PHE A 50 3.913 0.314 -1.490 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.137 0.779 -0.985 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.856 -0.225 -2.784 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.295 0.704 -1.773 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.013 -0.297 -3.568 1.00 0.00 C ATOM 791 CZ PHE A 50 6.231 0.166 -3.063 1.00 0.00 C ATOM 0 H PHE A 50 4.708 -0.024 1.377 1.00 0.00 H new ATOM 0 HA PHE A 50 1.786 -0.602 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.789 0.077 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.467 1.426 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.187 1.195 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.917 -0.585 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.237 1.062 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.965 -0.711 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.123 0.109 -3.669 1.00 0.00 H new ATOM 801 N THR A 51 2.470 -2.741 -0.270 1.00 0.00 N ATOM 802 CA THR A 51 2.925 -4.110 -0.666 1.00 0.00 C ATOM 803 C THR A 51 2.319 -4.484 -2.020 1.00 0.00 C ATOM 804 O THR A 51 1.160 -4.239 -2.286 1.00 0.00 O ATOM 805 CB THR A 51 2.468 -5.117 0.392 1.00 0.00 C ATOM 806 OG1 THR A 51 2.753 -6.435 -0.055 1.00 0.00 O ATOM 807 CG2 THR A 51 0.964 -4.967 0.625 1.00 0.00 C ATOM 0 H THR A 51 1.475 -2.563 -0.406 1.00 0.00 H new ATOM 0 HA THR A 51 4.012 -4.124 -0.743 1.00 0.00 H new ATOM 0 HB THR A 51 2.998 -4.929 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.462 -7.080 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.639 -5.684 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.748 -3.956 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.431 -5.154 -0.307 1.00 0.00 H new ATOM 815 N ILE A 52 3.111 -5.078 -2.877 1.00 0.00 N ATOM 816 CA ILE A 52 2.615 -5.484 -4.231 1.00 0.00 C ATOM 817 C ILE A 52 2.435 -7.000 -4.282 1.00 0.00 C ATOM 818 O ILE A 52 3.313 -7.754 -3.914 1.00 0.00 O ATOM 819 CB ILE A 52 3.626 -5.058 -5.294 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.762 -3.532 -5.280 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.139 -5.513 -6.671 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.945 -3.107 -6.158 1.00 0.00 C ATOM 0 H ILE A 52 4.090 -5.302 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 52 1.657 -5.000 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 52 4.593 -5.513 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.843 -3.073 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.911 -3.180 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.860 -5.210 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.037 -6.598 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.173 -5.056 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.037 -2.021 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.862 -3.554 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.778 -3.444 -7.181 1.00 0.00 H new ATOM 834 N TRP A 53 1.293 -7.451 -4.723 1.00 0.00 N ATOM 835 CA TRP A 53 1.036 -8.918 -4.791 1.00 0.00 C ATOM 836 C TRP A 53 1.553 -9.489 -6.114 1.00 0.00 C ATOM 837 O TRP A 53 1.467 -8.867 -7.154 1.00 0.00 O ATOM 838 CB TRP A 53 -0.468 -9.165 -4.691 1.00 0.00 C ATOM 839 CG TRP A 53 -0.920 -8.880 -3.296 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.561 -7.759 -2.897 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.771 -9.711 -2.112 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.815 -7.850 -1.540 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.349 -9.037 -1.012 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.200 -10.976 -1.892 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.351 -9.596 0.267 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.201 -11.543 -0.607 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.779 -10.855 0.469 1.00 0.00 C ATOM 0 H TRP A 53 0.522 -6.863 -5.041 1.00 0.00 H new ATOM 0 HA TRP A 53 1.555 -9.409 -3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.001 -8.528 -5.396 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.698 -10.197 -4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.831 -6.929 -3.533 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.289 -7.128 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.242 -11.516 -2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.791 -9.060 1.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.245 -12.513 -0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.782 -11.298 1.454 1.00 0.00 H new ATOM 858 N LYS A 54 2.087 -10.677 -6.070 1.00 0.00 N ATOM 859 CA LYS A 54 2.616 -11.321 -7.304 1.00 0.00 C ATOM 860 C LYS A 54 1.475 -11.516 -8.304 1.00 0.00 C ATOM 861 O LYS A 54 1.671 -11.477 -9.502 1.00 0.00 O ATOM 862 CB LYS A 54 3.218 -12.685 -6.939 1.00 0.00 C ATOM 863 CG LYS A 54 4.143 -13.180 -8.067 1.00 0.00 C ATOM 864 CD LYS A 54 5.562 -12.633 -7.868 1.00 0.00 C ATOM 865 CE LYS A 54 6.428 -13.022 -9.068 1.00 0.00 C ATOM 866 NZ LYS A 54 6.521 -14.506 -9.151 1.00 0.00 N ATOM 0 H LYS A 54 2.180 -11.236 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 54 3.384 -10.689 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.779 -12.605 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.421 -13.409 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.164 -14.270 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.754 -12.859 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.534 -11.549 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.992 -13.033 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.998 -12.622 -9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.423 -12.589 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.307 -14.770 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.689 -14.897 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.632 -14.889 -9.531 1.00 0.00 H new ATOM 880 N ASN A 55 0.291 -11.740 -7.816 1.00 0.00 N ATOM 881 CA ASN A 55 -0.863 -11.955 -8.728 1.00 0.00 C ATOM 882 C ASN A 55 -1.051 -10.723 -9.619 1.00 0.00 C ATOM 883 O ASN A 55 -1.772 -10.759 -10.596 1.00 0.00 O ATOM 884 CB ASN A 55 -2.124 -12.185 -7.894 1.00 0.00 C ATOM 885 CG ASN A 55 -2.088 -13.592 -7.294 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.341 -14.438 -7.746 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.868 -13.882 -6.290 1.00 0.00 N ATOM 0 H ASN A 55 0.071 -11.784 -6.821 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.677 -12.825 -9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.189 -11.441 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.011 -12.066 -8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.851 -14.818 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.495 -13.173 -5.910 1.00 0.00 H new ATOM 894 N ALA A 56 -0.402 -9.636 -9.297 1.00 0.00 N ATOM 895 CA ALA A 56 -0.538 -8.409 -10.136 1.00 0.00 C ATOM 896 C ALA A 56 0.483 -8.471 -11.277 1.00 0.00 C ATOM 897 O ALA A 56 0.286 -7.909 -12.336 1.00 0.00 O ATOM 898 CB ALA A 56 -0.272 -7.173 -9.270 1.00 0.00 C ATOM 0 H ALA A 56 0.216 -9.544 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.545 -8.349 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.370 -6.274 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.993 -7.139 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.737 -7.226 -8.861 1.00 0.00 H new ATOM 904 N GLU A 57 1.572 -9.161 -11.059 1.00 0.00 N ATOM 905 CA GLU A 57 2.618 -9.280 -12.114 1.00 0.00 C ATOM 906 C GLU A 57 2.949 -7.901 -12.671 1.00 0.00 C ATOM 907 O GLU A 57 2.914 -7.682 -13.866 1.00 0.00 O ATOM 908 CB GLU A 57 2.111 -10.181 -13.240 1.00 0.00 C ATOM 909 CG GLU A 57 1.993 -11.609 -12.711 1.00 0.00 C ATOM 910 CD GLU A 57 1.400 -12.514 -13.791 1.00 0.00 C ATOM 911 OE1 GLU A 57 1.123 -12.015 -14.869 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.234 -13.691 -13.520 1.00 0.00 O ATOM 0 H GLU A 57 1.782 -9.650 -10.189 1.00 0.00 H new ATOM 0 HA GLU A 57 3.518 -9.716 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.143 -9.830 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.796 -10.148 -14.088 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.974 -11.978 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.362 -11.626 -11.822 1.00 0.00 H new ATOM 919 N LEU A 58 3.272 -6.966 -11.815 1.00 0.00 N ATOM 920 CA LEU A 58 3.607 -5.589 -12.296 1.00 0.00 C ATOM 921 C LEU A 58 5.133 -5.385 -12.282 1.00 0.00 C ATOM 922 O LEU A 58 5.829 -6.009 -11.505 1.00 0.00 O ATOM 923 CB LEU A 58 2.945 -4.558 -11.374 1.00 0.00 C ATOM 924 CG LEU A 58 1.413 -4.630 -11.524 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.749 -4.077 -10.263 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.952 -3.799 -12.734 1.00 0.00 C ATOM 0 H LEU A 58 3.319 -7.095 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 58 3.240 -5.463 -13.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.227 -4.748 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.297 -3.557 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 58 1.127 -5.671 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.335 -4.128 -10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.057 -4.668 -9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.051 -3.040 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.132 -3.861 -12.826 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.246 -2.759 -12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.415 -4.188 -13.641 1.00 0.00 H new ATOM 938 N PRO A 59 5.657 -4.507 -13.121 1.00 0.00 N ATOM 939 CA PRO A 59 7.131 -4.229 -13.166 1.00 0.00 C ATOM 940 C PRO A 59 7.701 -3.821 -11.796 1.00 0.00 C ATOM 941 O PRO A 59 7.025 -3.225 -10.979 1.00 0.00 O ATOM 942 CB PRO A 59 7.269 -3.068 -14.171 1.00 0.00 C ATOM 943 CG PRO A 59 6.021 -3.094 -14.997 1.00 0.00 C ATOM 944 CD PRO A 59 4.922 -3.699 -14.121 1.00 0.00 C ATOM 0 HA PRO A 59 7.690 -5.120 -13.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.376 -2.114 -13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.154 -3.194 -14.795 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.749 -2.088 -15.318 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.167 -3.688 -15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.322 -2.924 -13.644 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.240 -4.315 -14.707 1.00 0.00 H new ATOM 952 N LEU A 60 8.941 -4.148 -11.544 1.00 0.00 N ATOM 953 CA LEU A 60 9.569 -3.799 -10.236 1.00 0.00 C ATOM 954 C LEU A 60 9.800 -2.288 -10.145 1.00 0.00 C ATOM 955 O LEU A 60 10.171 -1.642 -11.106 1.00 0.00 O ATOM 956 CB LEU A 60 10.909 -4.528 -10.121 1.00 0.00 C ATOM 957 CG LEU A 60 10.692 -6.032 -10.329 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.040 -6.754 -10.252 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.742 -6.584 -9.251 1.00 0.00 C ATOM 0 H LEU A 60 9.550 -4.646 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 60 8.906 -4.101 -9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.609 -4.145 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.352 -4.346 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 60 10.245 -6.198 -11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.889 -7.823 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.703 -6.371 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.489 -6.583 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.595 -7.653 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.176 -6.419 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.782 -6.072 -9.316 1.00 0.00 H new ATOM 971 N LEU A 61 9.577 -1.729 -8.988 1.00 0.00 N ATOM 972 CA LEU A 61 9.770 -0.263 -8.800 1.00 0.00 C ATOM 973 C LEU A 61 11.248 0.036 -8.531 1.00 0.00 C ATOM 974 O LEU A 61 11.940 -0.735 -7.895 1.00 0.00 O ATOM 975 CB LEU A 61 8.926 0.199 -7.609 1.00 0.00 C ATOM 976 CG LEU A 61 7.462 0.323 -8.038 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.955 -1.034 -8.541 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.626 0.776 -6.838 1.00 0.00 C ATOM 0 H LEU A 61 9.266 -2.230 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 61 9.461 0.267 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.016 -0.512 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.291 1.158 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 61 7.375 1.054 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.912 -0.943 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.555 -1.354 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.036 -1.772 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.581 0.867 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.712 0.042 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.988 1.742 -6.486 1.00 0.00 H new ATOM 990 N GLU A 62 11.734 1.153 -9.012 1.00 0.00 N ATOM 991 CA GLU A 62 13.170 1.516 -8.793 1.00 0.00 C ATOM 992 C GLU A 62 13.282 2.547 -7.664 1.00 0.00 C ATOM 993 O GLU A 62 12.485 3.454 -7.549 1.00 0.00 O ATOM 994 CB GLU A 62 13.739 2.098 -10.087 1.00 0.00 C ATOM 995 CG GLU A 62 13.821 0.987 -11.135 1.00 0.00 C ATOM 996 CD GLU A 62 14.325 1.560 -12.459 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.647 2.734 -12.489 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.382 0.813 -13.420 1.00 0.00 O ATOM 0 H GLU A 62 11.196 1.833 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 62 13.734 0.626 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.106 2.909 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.727 2.521 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.491 0.199 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.840 0.533 -11.275 1.00 0.00 H new ATOM 1005 N GLN A 63 14.267 2.390 -6.822 1.00 0.00 N ATOM 1006 CA GLN A 63 14.441 3.335 -5.681 1.00 0.00 C ATOM 1007 C GLN A 63 15.044 4.657 -6.160 1.00 0.00 C ATOM 1008 O GLN A 63 15.957 4.682 -6.960 1.00 0.00 O ATOM 1009 CB GLN A 63 15.360 2.708 -4.635 1.00 0.00 C ATOM 1010 CG GLN A 63 15.442 3.627 -3.414 1.00 0.00 C ATOM 1011 CD GLN A 63 16.317 2.983 -2.340 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.558 1.793 -2.367 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.811 3.726 -1.390 1.00 0.00 N ATOM 0 H GLN A 63 14.962 1.645 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 63 13.463 3.535 -5.244 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.981 1.729 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.354 2.553 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.856 4.593 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.443 3.813 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.609 4.726 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.400 3.308 -0.670 1.00 0.00 H new ATOM 1022 N GLY A 64 14.544 5.756 -5.655 1.00 0.00 N ATOM 1023 CA GLY A 64 15.086 7.092 -6.050 1.00 0.00 C ATOM 1024 C GLY A 64 14.244 7.670 -7.185 1.00 0.00 C ATOM 1025 O GLY A 64 14.276 8.856 -7.453 1.00 0.00 O ATOM 0 H GLY A 64 13.779 5.786 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.075 7.768 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.125 6.995 -6.367 1.00 0.00 H new ATOM 1029 N GLU A 65 13.495 6.841 -7.864 1.00 0.00 N ATOM 1030 CA GLU A 65 12.655 7.337 -8.997 1.00 0.00 C ATOM 1031 C GLU A 65 11.216 7.589 -8.534 1.00 0.00 C ATOM 1032 O GLU A 65 10.762 7.074 -7.525 1.00 0.00 O ATOM 1033 CB GLU A 65 12.658 6.302 -10.121 1.00 0.00 C ATOM 1034 CG GLU A 65 14.049 6.252 -10.755 1.00 0.00 C ATOM 1035 CD GLU A 65 14.065 5.207 -11.871 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.040 4.581 -12.084 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.102 5.053 -12.494 1.00 0.00 O ATOM 0 H GLU A 65 13.428 5.839 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 65 13.072 8.277 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.388 5.321 -9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.912 6.561 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.313 7.231 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.795 6.005 -10.000 1.00 0.00 H new ATOM 1044 N SER A 66 10.503 8.388 -9.290 1.00 0.00 N ATOM 1045 CA SER A 66 9.085 8.707 -8.952 1.00 0.00 C ATOM 1046 C SER A 66 8.159 7.680 -9.606 1.00 0.00 C ATOM 1047 O SER A 66 8.438 7.162 -10.671 1.00 0.00 O ATOM 1048 CB SER A 66 8.747 10.111 -9.455 1.00 0.00 C ATOM 1049 OG SER A 66 9.263 11.068 -8.539 1.00 0.00 O ATOM 0 H SER A 66 10.850 8.837 -10.137 1.00 0.00 H new ATOM 0 HA SER A 66 8.949 8.671 -7.871 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.174 10.269 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.667 10.226 -9.552 1.00 0.00 H new ATOM 0 HG SER A 66 8.656 11.149 -7.774 1.00 0.00 H new ATOM 1055 N TYR A 67 7.046 7.389 -8.979 1.00 0.00 N ATOM 1056 CA TYR A 67 6.089 6.405 -9.560 1.00 0.00 C ATOM 1057 C TYR A 67 4.655 6.874 -9.315 1.00 0.00 C ATOM 1058 O TYR A 67 4.330 7.428 -8.281 1.00 0.00 O ATOM 1059 CB TYR A 67 6.298 5.031 -8.901 1.00 0.00 C ATOM 1060 CG TYR A 67 7.459 4.321 -9.556 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.260 3.611 -10.747 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.729 4.371 -8.975 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.333 2.953 -11.356 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.802 3.713 -9.583 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.604 3.002 -10.773 1.00 0.00 C ATOM 1066 OH TYR A 67 10.664 2.353 -11.372 1.00 0.00 O ATOM 0 H TYR A 67 6.761 7.793 -8.087 1.00 0.00 H new ATOM 0 HA TYR A 67 6.265 6.324 -10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.490 5.154 -7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.393 4.431 -8.995 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.278 3.572 -11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.881 4.918 -8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.181 2.407 -12.276 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.784 3.753 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 67 10.527 2.329 -12.342 1.00 0.00 H new ATOM 1076 N LEU A 68 3.803 6.622 -10.272 1.00 0.00 N ATOM 1077 CA LEU A 68 2.364 7.005 -10.151 1.00 0.00 C ATOM 1078 C LEU A 68 1.538 5.732 -9.985 1.00 0.00 C ATOM 1079 O LEU A 68 1.691 4.784 -10.733 1.00 0.00 O ATOM 1080 CB LEU A 68 1.929 7.766 -11.409 1.00 0.00 C ATOM 1081 CG LEU A 68 0.421 8.041 -11.363 1.00 0.00 C ATOM 1082 CD1 LEU A 68 0.045 8.762 -10.060 1.00 0.00 C ATOM 1083 CD2 LEU A 68 0.037 8.919 -12.561 1.00 0.00 C ATOM 0 H LEU A 68 4.047 6.159 -11.148 1.00 0.00 H new ATOM 0 HA LEU A 68 2.213 7.652 -9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.476 8.706 -11.482 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.174 7.185 -12.298 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.116 7.093 -11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.029 8.949 -10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.317 8.139 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.579 9.710 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.034 9.120 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.584 9.861 -12.512 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.288 8.401 -13.487 1.00 0.00 H new ATOM 1095 N LEU A 69 0.670 5.697 -9.004 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.170 4.481 -8.768 1.00 0.00 C ATOM 1097 C LEU A 69 -1.640 4.803 -9.048 1.00 0.00 C ATOM 1098 O LEU A 69 -2.210 5.703 -8.462 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.021 4.064 -7.306 1.00 0.00 C ATOM 1100 CG LEU A 69 1.464 3.943 -6.955 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.604 3.579 -5.477 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.117 2.853 -7.819 1.00 0.00 C ATOM 0 H LEU A 69 0.506 6.464 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 69 0.153 3.677 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.500 4.798 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.524 3.112 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 69 1.961 4.894 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.660 3.492 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.146 4.357 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.105 2.628 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.174 2.772 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.625 1.898 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.016 3.115 -8.872 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.247 4.078 -9.955 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.682 4.329 -10.311 1.00 0.00 C ATOM 1116 C ARG A 70 -4.524 3.084 -10.040 1.00 0.00 C ATOM 1117 O ARG A 70 -4.073 1.965 -10.184 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.779 4.679 -11.796 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.121 6.035 -12.043 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.124 6.337 -13.542 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.532 6.441 -14.016 1.00 0.00 N ATOM 1122 CZ ARG A 70 -4.790 6.549 -15.290 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.814 6.566 -16.156 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.026 6.640 -15.699 1.00 0.00 N ATOM 0 H ARG A 70 -1.807 3.315 -10.470 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.056 5.153 -9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.289 3.911 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.823 4.708 -12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.657 6.815 -11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.099 6.030 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.591 7.267 -13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.602 5.549 -14.085 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.297 6.428 -13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.848 6.495 -15.837 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.017 6.650 -17.152 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.789 6.627 -15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.229 6.725 -16.695 1.00 0.00 H new ATOM 1138 N SER A 71 -5.757 3.289 -9.659 1.00 0.00 N ATOM 1139 CA SER A 71 -6.684 2.150 -9.386 1.00 0.00 C ATOM 1140 C SER A 71 -6.102 1.221 -8.316 1.00 0.00 C ATOM 1141 O SER A 71 -5.940 0.036 -8.534 1.00 0.00 O ATOM 1142 CB SER A 71 -6.936 1.363 -10.675 1.00 0.00 C ATOM 1143 OG SER A 71 -7.435 0.073 -10.349 1.00 0.00 O ATOM 0 H SER A 71 -6.168 4.213 -9.523 1.00 0.00 H new ATOM 0 HA SER A 71 -7.627 2.554 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.651 1.893 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.012 1.274 -11.247 1.00 0.00 H new ATOM 0 HG SER A 71 -6.733 -0.447 -9.906 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.797 1.749 -7.154 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.238 0.904 -6.051 1.00 0.00 C ATOM 1151 C VAL A 72 -6.251 0.841 -4.907 1.00 0.00 C ATOM 1152 O VAL A 72 -7.201 1.600 -4.861 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.920 1.501 -5.545 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.852 1.372 -6.633 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.113 2.981 -5.198 1.00 0.00 C ATOM 0 H VAL A 72 -5.912 2.735 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.044 -0.101 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.605 0.962 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.914 1.796 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.705 0.320 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.175 1.908 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.171 3.396 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.434 3.524 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.871 3.077 -4.421 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.052 -0.072 -3.992 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.992 -0.227 -2.840 1.00 0.00 C ATOM 1167 C VAL A 73 -6.223 -0.080 -1.524 1.00 0.00 C ATOM 1168 O VAL A 73 -5.091 -0.504 -1.397 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.657 -1.608 -2.916 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.645 -2.706 -2.567 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.826 -1.658 -1.931 1.00 0.00 C ATOM 0 H VAL A 73 -5.269 -0.725 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.761 0.545 -2.883 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.019 -1.774 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.131 -3.680 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.814 -2.672 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.270 -2.547 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.302 -2.637 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.458 -1.485 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.553 -0.888 -2.189 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.840 0.528 -0.548 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.171 0.727 0.770 1.00 0.00 C ATOM 1183 C VAL A 74 -6.439 -0.481 1.671 1.00 0.00 C ATOM 1184 O VAL A 74 -7.561 -0.926 1.806 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.726 1.994 1.417 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.929 2.313 2.683 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.596 3.154 0.427 1.00 0.00 C ATOM 0 H VAL A 74 -7.788 0.899 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.095 0.828 0.630 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.774 1.846 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.326 3.217 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.011 1.482 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.881 2.467 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.990 4.064 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.546 3.300 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.160 2.925 -0.478 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.413 -1.014 2.292 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.586 -2.197 3.195 1.00 0.00 C ATOM 1199 C GLY A 75 -5.284 -1.787 4.640 1.00 0.00 C ATOM 1200 O GLY A 75 -4.530 -0.869 4.891 1.00 0.00 O ATOM 0 H GLY A 75 -4.454 -0.676 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.604 -2.579 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.919 -3.003 2.888 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.869 -2.464 5.593 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.619 -2.123 7.025 1.00 0.00 C ATOM 1206 C GLU A 76 -4.517 -3.034 7.573 1.00 0.00 C ATOM 1207 O GLU A 76 -4.711 -4.221 7.744 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.905 -2.351 7.820 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.685 -1.959 9.282 1.00 0.00 C ATOM 1210 CD GLU A 76 -7.994 -2.122 10.055 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.031 -2.205 9.416 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -7.938 -2.168 11.273 1.00 0.00 O ATOM 0 H GLU A 76 -6.512 -3.241 5.441 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.310 -1.081 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.717 -1.761 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.203 -3.397 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.909 -2.583 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.339 -0.927 9.345 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.358 -2.484 7.847 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.233 -3.314 8.381 1.00 0.00 C ATOM 1221 C TYR A 77 -2.086 -3.054 9.883 1.00 0.00 C ATOM 1222 O TYR A 77 -1.668 -1.996 10.309 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.947 -2.930 7.644 1.00 0.00 C ATOM 1224 CG TYR A 77 0.185 -3.831 8.073 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.307 -5.111 7.518 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.117 -3.386 9.018 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.360 -5.945 7.910 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.169 -4.221 9.410 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.291 -5.500 8.855 1.00 0.00 C ATOM 1230 OH TYR A 77 3.327 -6.324 9.243 1.00 0.00 O ATOM 0 H TYR A 77 -3.143 -1.495 7.723 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.433 -4.374 8.226 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.098 -3.010 6.567 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.695 -1.891 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.411 -5.454 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.024 -2.398 9.444 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.454 -6.933 7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.887 -3.879 10.141 1.00 0.00 H new ATOM 0 HH TYR A 77 3.883 -5.861 9.905 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.431 -4.023 10.686 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.329 -3.866 12.165 1.00 0.00 C ATOM 1242 C ASN A 78 -2.859 -2.491 12.596 1.00 0.00 C ATOM 1243 O ASN A 78 -4.013 -2.169 12.397 1.00 0.00 O ATOM 1244 CB ASN A 78 -0.870 -4.009 12.594 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.437 -5.465 12.428 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.264 -6.350 12.321 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.834 -5.756 12.407 1.00 0.00 N ATOM 0 H ASN A 78 -2.784 -4.928 10.376 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.930 -4.639 12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.236 -3.358 11.992 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.752 -3.698 13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.134 -6.725 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.529 -5.014 12.497 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.029 -1.687 13.210 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.483 -0.341 13.678 1.00 0.00 C ATOM 1256 C ASP A 79 -2.170 0.720 12.622 1.00 0.00 C ATOM 1257 O ASP A 79 -2.697 1.815 12.655 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.753 0.007 14.975 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.252 -0.897 16.104 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.214 -1.613 15.880 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.664 -0.857 17.172 1.00 0.00 O ATOM 0 H ASP A 79 -1.053 -1.905 13.408 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.560 -0.364 13.847 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.678 -0.118 14.844 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.924 1.053 15.231 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.298 0.411 11.695 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.922 1.406 10.642 1.00 0.00 C ATOM 1268 C ARG A 80 -1.631 1.076 9.324 1.00 0.00 C ATOM 1269 O ARG A 80 -1.820 -0.071 8.968 1.00 0.00 O ATOM 1270 CB ARG A 80 0.597 1.374 10.428 1.00 0.00 C ATOM 1271 CG ARG A 80 0.993 2.463 9.428 1.00 0.00 C ATOM 1272 CD ARG A 80 2.509 2.462 9.236 1.00 0.00 C ATOM 1273 NE ARG A 80 2.894 3.615 8.377 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.144 3.799 8.052 1.00 0.00 C ATOM 1275 NH1 ARG A 80 5.062 2.985 8.497 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.477 4.800 7.284 1.00 0.00 N ATOM 0 H ARG A 80 -0.828 -0.491 11.621 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.227 2.400 10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.112 1.531 11.376 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.902 0.396 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.496 2.291 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.663 3.438 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.010 2.529 10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.829 1.527 8.775 1.00 0.00 H new ATOM 0 HE ARG A 80 2.180 4.262 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.802 2.204 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.039 3.130 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.760 5.438 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.454 4.945 7.030 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.015 2.087 8.595 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.703 1.858 7.295 1.00 0.00 C ATOM 1292 C PHE A 81 -1.670 1.419 6.257 1.00 0.00 C ATOM 1293 O PHE A 81 -0.503 1.740 6.359 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.362 3.162 6.844 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.563 3.440 7.714 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.800 2.872 7.396 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.438 4.264 8.840 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.915 3.126 8.201 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.554 4.519 9.646 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.793 3.949 9.327 1.00 0.00 C ATOM 0 H PHE A 81 -1.881 3.067 8.846 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.463 1.084 7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.651 3.985 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.664 3.088 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.895 2.236 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.482 4.702 9.086 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.870 2.687 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.460 5.155 10.514 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.654 4.144 9.949 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.080 0.681 5.260 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.112 0.219 4.218 1.00 0.00 C ATOM 1312 C GLN A 82 -1.809 0.216 2.857 1.00 0.00 C ATOM 1313 O GLN A 82 -3.006 0.042 2.767 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.650 -1.203 4.562 1.00 0.00 C ATOM 1315 CG GLN A 82 0.347 -1.703 3.511 1.00 0.00 C ATOM 1316 CD GLN A 82 0.780 -3.129 3.853 1.00 0.00 C ATOM 1317 OE1 GLN A 82 -0.036 -4.027 3.913 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.041 -3.380 4.073 1.00 0.00 N ATOM 0 H GLN A 82 -3.044 0.377 5.121 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.250 0.885 4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.186 -1.214 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.509 -1.872 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.109 -1.678 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.216 -1.046 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.727 -2.627 4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.341 -4.329 4.295 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.062 0.395 1.796 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.668 0.390 0.428 1.00 0.00 C ATOM 1329 C VAL A 83 -1.325 -0.932 -0.259 1.00 0.00 C ATOM 1330 O VAL A 83 -0.171 -1.279 -0.414 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.094 1.552 -0.389 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.989 1.827 -1.600 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.027 2.804 0.488 1.00 0.00 C ATOM 0 H VAL A 83 -0.053 0.545 1.818 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.750 0.501 0.502 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.094 1.290 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.576 2.654 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.038 0.936 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.992 2.087 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.619 3.632 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.029 3.061 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.386 2.612 1.348 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.321 -1.673 -0.669 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.069 -2.981 -1.348 1.00 0.00 C ATOM 1345 C GLN A 84 -2.344 -2.838 -2.843 1.00 0.00 C ATOM 1346 O GLN A 84 -3.384 -2.366 -3.250 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.009 -4.037 -0.768 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.635 -4.303 0.689 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.613 -5.312 1.291 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.459 -5.843 0.599 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.531 -5.601 2.559 1.00 0.00 N ATOM 0 H GLN A 84 -3.305 -1.427 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.032 -3.279 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.042 -3.696 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.940 -4.958 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.617 -4.687 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.660 -3.373 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.820 -5.155 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.177 -6.274 2.972 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.411 -3.242 -3.663 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.597 -3.140 -5.143 1.00 0.00 C ATOM 1362 C VAL A 85 -1.933 -4.526 -5.690 1.00 0.00 C ATOM 1363 O VAL A 85 -1.296 -5.506 -5.352 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.306 -2.629 -5.783 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.404 -2.736 -7.306 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.092 -1.167 -5.386 1.00 0.00 C ATOM 0 H VAL A 85 -0.520 -3.642 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.406 -2.447 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 85 0.534 -3.231 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.519 -2.370 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.558 -3.777 -7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.243 -2.136 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.828 -0.798 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.934 -0.569 -5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.017 -1.092 -4.301 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.936 -4.621 -6.525 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.329 -5.946 -7.093 1.00 0.00 C ATOM 1378 C ASN A 86 -3.624 -5.803 -8.588 1.00 0.00 C ATOM 1379 O ASN A 86 -3.309 -4.807 -9.208 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.591 -6.446 -6.389 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.415 -6.332 -4.876 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.086 -7.298 -4.216 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.614 -5.182 -4.295 1.00 0.00 N ATOM 0 H ASN A 86 -3.503 -3.833 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.512 -6.653 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.454 -5.862 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.787 -7.482 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.494 -5.093 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.890 -4.372 -4.849 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.238 -6.801 -9.156 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.582 -6.759 -10.604 1.00 0.00 C ATOM 1392 C LYS A 87 -5.412 -5.507 -10.903 1.00 0.00 C ATOM 1393 O LYS A 87 -5.897 -4.846 -10.008 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.399 -8.000 -10.955 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.504 -9.237 -10.876 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.351 -10.497 -11.085 1.00 0.00 C ATOM 1397 CE LYS A 87 -5.997 -10.477 -12.476 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.281 -9.722 -12.413 1.00 0.00 N ATOM 0 H LYS A 87 -4.520 -7.654 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.667 -6.733 -11.196 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.240 -8.101 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.816 -7.903 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.722 -9.182 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.006 -9.277 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.728 -11.385 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.123 -10.556 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.323 -10.012 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.177 -11.495 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.052 -10.318 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.481 -9.458 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.207 -8.862 -12.993 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.577 -5.180 -12.158 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.379 -3.974 -12.527 1.00 0.00 C ATOM 1414 C ASN A 88 -5.584 -2.706 -12.195 1.00 0.00 C ATOM 1415 O ASN A 88 -5.822 -1.652 -12.748 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.709 -3.982 -11.743 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.812 -3.290 -12.555 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.978 -3.592 -12.398 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.490 -2.367 -13.419 1.00 0.00 N ATOM 0 H ASN A 88 -5.190 -5.698 -12.947 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.592 -3.991 -13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.001 -5.008 -11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.579 -3.474 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.217 -1.900 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.511 -2.112 -13.552 1.00 0.00 H new ATOM 1426 N SER A 89 -4.650 -2.797 -11.290 1.00 0.00 N ATOM 1427 CA SER A 89 -3.852 -1.594 -10.921 1.00 0.00 C ATOM 1428 C SER A 89 -2.886 -1.246 -12.056 1.00 0.00 C ATOM 1429 O SER A 89 -2.566 -2.076 -12.885 1.00 0.00 O ATOM 1430 CB SER A 89 -3.065 -1.882 -9.644 1.00 0.00 C ATOM 1431 OG SER A 89 -3.976 -2.207 -8.603 1.00 0.00 O ATOM 0 H SER A 89 -4.405 -3.652 -10.790 1.00 0.00 H new ATOM 0 HA SER A 89 -4.522 -0.751 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.370 -2.706 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.469 -1.013 -9.365 1.00 0.00 H new ATOM 0 HG SER A 89 -4.119 -3.176 -8.584 1.00 0.00 H new ATOM 1437 N SER A 90 -2.419 -0.023 -12.101 1.00 0.00 N ATOM 1438 CA SER A 90 -1.469 0.399 -13.177 1.00 0.00 C ATOM 1439 C SER A 90 -0.332 1.199 -12.546 1.00 0.00 C ATOM 1440 O SER A 90 -0.492 1.797 -11.501 1.00 0.00 O ATOM 1441 CB SER A 90 -2.211 1.265 -14.188 1.00 0.00 C ATOM 1442 OG SER A 90 -3.126 0.451 -14.907 1.00 0.00 O ATOM 0 H SER A 90 -2.658 0.708 -11.431 1.00 0.00 H new ATOM 0 HA SER A 90 -1.062 -0.476 -13.684 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.742 2.069 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.505 1.734 -14.873 1.00 0.00 H new ATOM 0 HG SER A 90 -3.610 1.000 -15.559 1.00 0.00 H new ATOM 1448 N ILE A 91 0.816 1.234 -13.177 1.00 0.00 N ATOM 1449 CA ILE A 91 1.967 2.015 -12.623 1.00 0.00 C ATOM 1450 C ILE A 91 2.682 2.733 -13.770 1.00 0.00 C ATOM 1451 O ILE A 91 2.996 2.130 -14.776 1.00 0.00 O ATOM 1452 CB ILE A 91 2.953 1.065 -11.938 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.272 0.411 -10.730 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.184 1.850 -11.477 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.177 -0.678 -10.151 1.00 0.00 C ATOM 0 H ILE A 91 1.007 0.753 -14.056 1.00 0.00 H new ATOM 0 HA ILE A 91 1.598 2.741 -11.898 1.00 0.00 H new ATOM 0 HB ILE A 91 3.264 0.292 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.060 1.163 -9.970 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.316 -0.019 -11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.886 1.173 -10.989 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.665 2.312 -12.339 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.879 2.625 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.688 -1.139 -9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.367 -1.436 -10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.122 -0.236 -9.836 1.00 0.00 H new ATOM 1467 N GLU A 92 2.947 4.010 -13.629 1.00 0.00 N ATOM 1468 CA GLU A 92 3.652 4.760 -14.714 1.00 0.00 C ATOM 1469 C GLU A 92 4.798 5.562 -14.098 1.00 0.00 C ATOM 1470 O GLU A 92 4.654 6.179 -13.062 1.00 0.00 O ATOM 1471 CB GLU A 92 2.662 5.712 -15.397 1.00 0.00 C ATOM 1472 CG GLU A 92 3.340 6.399 -16.586 1.00 0.00 C ATOM 1473 CD GLU A 92 3.642 5.363 -17.671 1.00 0.00 C ATOM 1474 OE1 GLU A 92 3.014 4.317 -17.655 1.00 0.00 O ATOM 1475 OE2 GLU A 92 4.499 5.633 -18.496 1.00 0.00 O ATOM 0 H GLU A 92 2.705 4.565 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 92 4.049 4.064 -15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.786 5.159 -15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.311 6.459 -14.685 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.693 7.181 -16.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.262 6.882 -16.263 1.00 0.00 H new ATOM 1482 N LYS A 93 5.935 5.554 -14.735 1.00 0.00 N ATOM 1483 CA LYS A 93 7.099 6.315 -14.201 1.00 0.00 C ATOM 1484 C LYS A 93 6.866 7.805 -14.396 1.00 0.00 C ATOM 1485 O LYS A 93 6.343 8.234 -15.405 1.00 0.00 O ATOM 1486 CB LYS A 93 8.362 5.895 -14.941 1.00 0.00 C ATOM 1487 CG LYS A 93 8.742 4.481 -14.511 1.00 0.00 C ATOM 1488 CD LYS A 93 10.024 4.047 -15.227 1.00 0.00 C ATOM 1489 CE LYS A 93 9.800 3.998 -16.746 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.417 3.530 -17.042 1.00 0.00 N ATOM 0 H LYS A 93 6.109 5.052 -15.605 1.00 0.00 H new ATOM 0 HA LYS A 93 7.214 6.104 -13.138 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.197 5.930 -16.018 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.175 6.587 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.888 4.446 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.932 3.790 -14.745 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.831 4.742 -14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.335 3.066 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.958 4.986 -17.177 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.526 3.329 -17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.363 3.209 -18.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.174 2.742 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.747 4.312 -16.895 1.00 0.00 H new ATOM 1504 N LEU A 94 7.240 8.604 -13.429 1.00 0.00 N ATOM 1505 CA LEU A 94 7.026 10.079 -13.550 1.00 0.00 C ATOM 1506 C LEU A 94 8.324 10.757 -14.014 1.00 0.00 C ATOM 1507 O LEU A 94 9.391 10.516 -13.487 1.00 0.00 O ATOM 1508 CB LEU A 94 6.591 10.644 -12.177 1.00 0.00 C ATOM 1509 CG LEU A 94 5.479 11.699 -12.357 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.118 10.994 -12.487 1.00 0.00 C ATOM 1511 CD2 LEU A 94 5.459 12.640 -11.146 1.00 0.00 C ATOM 0 H LEU A 94 7.684 8.300 -12.562 1.00 0.00 H new ATOM 0 HA LEU A 94 6.246 10.277 -14.285 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.234 9.835 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.448 11.092 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 94 5.674 12.279 -13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.333 11.739 -12.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.133 10.331 -13.352 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.923 10.411 -11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.673 13.384 -11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.267 12.064 -10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.423 13.142 -11.059 1.00 0.00 H new ATOM 1523 N SER A 95 8.226 11.609 -14.996 1.00 0.00 N ATOM 1524 CA SER A 95 9.433 12.316 -15.503 1.00 0.00 C ATOM 1525 C SER A 95 9.724 13.534 -14.623 1.00 0.00 C ATOM 1526 O SER A 95 10.711 14.217 -14.810 1.00 0.00 O ATOM 1527 CB SER A 95 9.180 12.779 -16.936 1.00 0.00 C ATOM 1528 OG SER A 95 8.175 13.783 -16.927 1.00 0.00 O ATOM 0 H SER A 95 7.356 11.847 -15.472 1.00 0.00 H new ATOM 0 HA SER A 95 10.287 11.639 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.099 13.170 -17.373 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.866 11.938 -17.554 1.00 0.00 H new ATOM 0 HG SER A 95 8.008 14.087 -17.844 1.00 0.00 H new ATOM 1534 N GLU A 96 8.865 13.818 -13.673 1.00 0.00 N ATOM 1535 CA GLU A 96 9.076 15.001 -12.777 1.00 0.00 C ATOM 1536 C GLU A 96 9.293 14.517 -11.332 1.00 0.00 C ATOM 1537 O GLU A 96 8.348 14.315 -10.596 1.00 0.00 O ATOM 1538 CB GLU A 96 7.834 15.897 -12.826 1.00 0.00 C ATOM 1539 CG GLU A 96 8.137 17.222 -12.123 1.00 0.00 C ATOM 1540 CD GLU A 96 9.127 18.035 -12.962 1.00 0.00 C ATOM 1541 OE1 GLU A 96 9.009 18.003 -14.176 1.00 0.00 O ATOM 1542 OE2 GLU A 96 9.988 18.668 -12.376 1.00 0.00 O ATOM 0 H GLU A 96 8.022 13.278 -13.478 1.00 0.00 H new ATOM 0 HA GLU A 96 9.950 15.561 -13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.544 16.079 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.993 15.400 -12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.216 17.788 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.553 17.033 -11.133 1.00 0.00 H new ATOM 1549 N PRO A 97 10.529 14.334 -10.920 1.00 0.00 N ATOM 1550 CA PRO A 97 10.855 13.869 -9.536 1.00 0.00 C ATOM 1551 C PRO A 97 10.169 14.722 -8.461 1.00 0.00 C ATOM 1552 O PRO A 97 9.799 15.856 -8.694 1.00 0.00 O ATOM 1553 CB PRO A 97 12.387 13.993 -9.453 1.00 0.00 C ATOM 1554 CG PRO A 97 12.860 13.933 -10.871 1.00 0.00 C ATOM 1555 CD PRO A 97 11.745 14.542 -11.722 1.00 0.00 C ATOM 0 HA PRO A 97 10.501 12.854 -9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.682 14.929 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.816 13.186 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.790 14.488 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.060 12.904 -11.171 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.921 15.601 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.671 14.052 -12.693 1.00 0.00 H new ATOM 1563 N ILE A 98 9.987 14.171 -7.291 1.00 0.00 N ATOM 1564 CA ILE A 98 9.310 14.922 -6.189 1.00 0.00 C ATOM 1565 C ILE A 98 10.357 15.469 -5.217 1.00 0.00 C ATOM 1566 O ILE A 98 11.400 14.879 -5.013 1.00 0.00 O ATOM 1567 CB ILE A 98 8.367 13.973 -5.446 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.327 13.438 -6.431 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.653 14.730 -4.323 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.543 12.298 -5.781 1.00 0.00 C ATOM 0 H ILE A 98 10.280 13.225 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 98 8.743 15.754 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 98 8.939 13.149 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.648 14.237 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.818 13.084 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.982 14.051 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.391 15.126 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.077 15.552 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.802 11.918 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.228 11.496 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.039 12.666 -4.887 1.00 0.00 H new ATOM 1582 N GLU A 99 10.090 16.602 -4.622 1.00 0.00 N ATOM 1583 CA GLU A 99 11.067 17.200 -3.666 1.00 0.00 C ATOM 1584 C GLU A 99 11.563 16.135 -2.688 1.00 0.00 C ATOM 1585 O GLU A 99 12.621 15.567 -2.862 1.00 0.00 O ATOM 1586 CB GLU A 99 10.390 18.322 -2.878 1.00 0.00 C ATOM 1587 CG GLU A 99 10.081 19.488 -3.815 1.00 0.00 C ATOM 1588 CD GLU A 99 9.331 20.574 -3.039 1.00 0.00 C ATOM 1589 OE1 GLU A 99 9.125 20.390 -1.851 1.00 0.00 O ATOM 1590 OE2 GLU A 99 8.977 21.570 -3.648 1.00 0.00 O ATOM 0 H GLU A 99 9.234 17.140 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 99 11.912 17.598 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.471 17.956 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.039 18.655 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.005 19.892 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.479 19.144 -4.656 1.00 0.00 H new ATOM 1597 N VAL A 100 10.809 15.868 -1.654 1.00 0.00 N ATOM 1598 CA VAL A 100 11.237 14.847 -0.657 1.00 0.00 C ATOM 1599 C VAL A 100 12.558 15.283 -0.021 1.00 0.00 C ATOM 1600 O VAL A 100 13.565 14.610 -0.121 1.00 0.00 O ATOM 1601 CB VAL A 100 11.400 13.487 -1.347 1.00 0.00 C ATOM 1602 CG1 VAL A 100 11.420 12.375 -0.295 1.00 0.00 C ATOM 1603 CG2 VAL A 100 10.220 13.259 -2.297 1.00 0.00 C ATOM 0 H VAL A 100 9.913 16.315 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 100 10.481 14.754 0.122 1.00 0.00 H new ATOM 0 HB VAL A 100 12.335 13.475 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.536 11.410 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.254 12.536 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.485 12.387 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.331 12.293 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.289 13.272 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.199 14.049 -3.047 1.00 0.00 H new ATOM 1613 N GLY A 101 12.557 16.416 0.633 1.00 0.00 N ATOM 1614 CA GLY A 101 13.806 16.910 1.281 1.00 0.00 C ATOM 1615 C GLY A 101 14.670 17.619 0.241 1.00 0.00 C ATOM 1616 O GLY A 101 15.882 17.589 0.305 1.00 0.00 O ATOM 0 H GLY A 101 11.743 17.020 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.561 17.594 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.355 16.077 1.720 1.00 0.00 H new ATOM 1620 N LEU A 102 14.056 18.254 -0.725 1.00 0.00 N ATOM 1621 CA LEU A 102 14.838 18.964 -1.779 1.00 0.00 C ATOM 1622 C LEU A 102 14.895 20.453 -1.457 1.00 0.00 C ATOM 1623 O LEU A 102 13.923 21.172 -1.581 1.00 0.00 O ATOM 1624 CB LEU A 102 14.158 18.762 -3.135 1.00 0.00 C ATOM 1625 CG LEU A 102 15.011 19.374 -4.259 1.00 0.00 C ATOM 1626 CD1 LEU A 102 16.366 18.649 -4.366 1.00 0.00 C ATOM 1627 CD2 LEU A 102 14.248 19.255 -5.587 1.00 0.00 C ATOM 0 H LEU A 102 13.043 18.311 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 102 15.851 18.563 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.010 17.698 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.171 19.224 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 102 15.201 20.423 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.956 19.096 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.904 18.743 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.198 17.594 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.846 19.687 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.055 18.204 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.301 19.790 -5.512 1.00 0.00 H new ATOM 1639 N GLU A 103 16.039 20.917 -1.050 1.00 0.00 N ATOM 1640 CA GLU A 103 16.196 22.363 -0.719 1.00 0.00 C ATOM 1641 C GLU A 103 17.666 22.763 -0.909 1.00 0.00 C ATOM 1642 O GLU A 103 18.049 23.889 -0.671 1.00 0.00 O ATOM 1643 CB GLU A 103 15.772 22.588 0.738 1.00 0.00 C ATOM 1644 CG GLU A 103 15.689 24.089 1.044 1.00 0.00 C ATOM 1645 CD GLU A 103 15.039 24.291 2.414 1.00 0.00 C ATOM 1646 OE1 GLU A 103 14.907 23.314 3.134 1.00 0.00 O ATOM 1647 OE2 GLU A 103 14.686 25.417 2.720 1.00 0.00 O ATOM 0 H GLU A 103 16.881 20.354 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 103 15.572 22.972 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.805 22.119 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 103 16.487 22.112 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.686 24.530 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.108 24.597 0.275 1.00 0.00 H new ATOM 1654 N HIS A 104 18.499 21.847 -1.337 1.00 0.00 N ATOM 1655 CA HIS A 104 19.939 22.180 -1.532 1.00 0.00 C ATOM 1656 C HIS A 104 20.496 22.796 -0.246 1.00 0.00 C ATOM 1657 O HIS A 104 20.323 23.970 0.019 1.00 0.00 O ATOM 1658 CB HIS A 104 20.094 23.165 -2.694 1.00 0.00 C ATOM 1659 CG HIS A 104 19.699 22.489 -3.977 1.00 0.00 C ATOM 1660 ND1 HIS A 104 20.569 21.666 -4.675 1.00 0.00 N ATOM 1661 CD2 HIS A 104 18.531 22.498 -4.700 1.00 0.00 C ATOM 1662 CE1 HIS A 104 19.919 21.220 -5.765 1.00 0.00 C ATOM 1663 NE2 HIS A 104 18.673 21.696 -5.829 1.00 0.00 N ATOM 0 H HIS A 104 18.242 20.885 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 104 20.493 21.271 -1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 104 19.471 24.044 -2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 104 21.125 23.513 -2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.638 23.044 -4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 104 20.352 20.557 -6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.975 21.512 -6.550 1.00 0.00 H new ATOM 1671 N HIS A 105 21.156 22.001 0.558 1.00 0.00 N ATOM 1672 CA HIS A 105 21.729 22.511 1.843 1.00 0.00 C ATOM 1673 C HIS A 105 23.149 21.965 2.013 1.00 0.00 C ATOM 1674 O HIS A 105 23.410 20.802 1.779 1.00 0.00 O ATOM 1675 CB HIS A 105 20.861 22.030 3.007 1.00 0.00 C ATOM 1676 CG HIS A 105 21.356 22.638 4.290 1.00 0.00 C ATOM 1677 ND1 HIS A 105 21.159 23.973 4.600 1.00 0.00 N ATOM 1678 CD2 HIS A 105 22.041 22.102 5.351 1.00 0.00 C ATOM 1679 CE1 HIS A 105 21.716 24.196 5.805 1.00 0.00 C ATOM 1680 NE2 HIS A 105 22.267 23.088 6.307 1.00 0.00 N ATOM 0 H HIS A 105 21.324 21.011 0.378 1.00 0.00 H new ATOM 0 HA HIS A 105 21.753 23.601 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.821 22.309 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.893 20.942 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.357 21.072 5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.717 25.154 6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 105 22.750 22.986 7.200 1.00 0.00 H new ATOM 1688 N HIS A 106 24.070 22.796 2.417 1.00 0.00 N ATOM 1689 CA HIS A 106 25.470 22.322 2.598 1.00 0.00 C ATOM 1690 C HIS A 106 25.585 21.544 3.911 1.00 0.00 C ATOM 1691 O HIS A 106 24.920 21.839 4.883 1.00 0.00 O ATOM 1692 CB HIS A 106 26.418 23.523 2.622 1.00 0.00 C ATOM 1693 CG HIS A 106 26.068 24.416 3.778 1.00 0.00 C ATOM 1694 ND1 HIS A 106 24.896 25.154 3.812 1.00 0.00 N ATOM 1695 CD2 HIS A 106 26.728 24.705 4.946 1.00 0.00 C ATOM 1696 CE1 HIS A 106 24.886 25.845 4.968 1.00 0.00 C ATOM 1697 NE2 HIS A 106 25.980 25.608 5.697 1.00 0.00 N ATOM 0 H HIS A 106 23.914 23.781 2.629 1.00 0.00 H new ATOM 0 HA HIS A 106 25.740 21.667 1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 106 27.450 23.183 2.711 1.00 0.00 H new ATOM 0 HB3 HIS A 106 26.344 24.077 1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 106 27.683 24.294 5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 106 24.090 26.510 5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 106 26.216 26.003 6.607 1.00 0.00 H new ATOM 1705 N HIS A 107 26.424 20.546 3.940 1.00 0.00 N ATOM 1706 CA HIS A 107 26.588 19.732 5.178 1.00 0.00 C ATOM 1707 C HIS A 107 27.413 20.507 6.211 1.00 0.00 C ATOM 1708 O HIS A 107 28.326 21.232 5.875 1.00 0.00 O ATOM 1709 CB HIS A 107 27.308 18.430 4.828 1.00 0.00 C ATOM 1710 CG HIS A 107 26.432 17.596 3.933 1.00 0.00 C ATOM 1711 ND1 HIS A 107 25.440 16.771 4.435 1.00 0.00 N ATOM 1712 CD2 HIS A 107 26.387 17.450 2.568 1.00 0.00 C ATOM 1713 CE1 HIS A 107 24.844 16.169 3.389 1.00 0.00 C ATOM 1714 NE2 HIS A 107 25.383 16.549 2.227 1.00 0.00 N ATOM 0 H HIS A 107 27.007 20.257 3.154 1.00 0.00 H new ATOM 0 HA HIS A 107 25.606 19.514 5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 107 28.253 18.647 4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 107 27.547 17.878 5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 107 27.033 17.957 1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 107 24.030 15.465 3.478 1.00 0.00 H new ATOM 0 HE2 HIS A 107 25.116 16.244 1.291 1.00 0.00 H new ATOM 1722 N HIS A 108 27.096 20.348 7.468 1.00 0.00 N ATOM 1723 CA HIS A 108 27.860 21.062 8.531 1.00 0.00 C ATOM 1724 C HIS A 108 27.978 22.547 8.183 1.00 0.00 C ATOM 1725 O HIS A 108 27.449 23.009 7.193 1.00 0.00 O ATOM 1726 CB HIS A 108 29.260 20.455 8.643 1.00 0.00 C ATOM 1727 CG HIS A 108 29.158 19.047 9.165 1.00 0.00 C ATOM 1728 ND1 HIS A 108 28.840 17.975 8.344 1.00 0.00 N ATOM 1729 CD2 HIS A 108 29.329 18.518 10.421 1.00 0.00 C ATOM 1730 CE1 HIS A 108 28.831 16.868 9.108 1.00 0.00 C ATOM 1731 NE2 HIS A 108 29.124 17.142 10.382 1.00 0.00 N ATOM 0 H HIS A 108 26.339 19.753 7.805 1.00 0.00 H new ATOM 0 HA HIS A 108 27.335 20.958 9.480 1.00 0.00 H new ATOM 0 HB2 HIS A 108 29.748 20.458 7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 108 29.877 21.057 9.310 1.00 0.00 H new ATOM 0 HD2 HIS A 108 29.584 19.084 11.305 1.00 0.00 H new ATOM 0 HE1 HIS A 108 28.613 15.878 8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 108 29.185 16.484 11.159 1.00 0.00 H new ATOM 1739 N HIS A 109 28.670 23.297 8.997 1.00 0.00 N ATOM 1740 CA HIS A 109 28.826 24.753 8.726 1.00 0.00 C ATOM 1741 C HIS A 109 29.803 24.960 7.567 1.00 0.00 C ATOM 1742 O HIS A 109 30.686 24.133 7.408 1.00 0.00 O ATOM 1743 CB HIS A 109 29.368 25.444 9.979 1.00 0.00 C ATOM 1744 CG HIS A 109 28.379 25.293 11.104 1.00 0.00 C ATOM 1745 ND1 HIS A 109 27.231 26.062 11.186 1.00 0.00 N ATOM 1746 CD2 HIS A 109 28.356 24.464 12.198 1.00 0.00 C ATOM 1747 CE1 HIS A 109 26.570 25.686 12.297 1.00 0.00 C ATOM 1748 NE2 HIS A 109 27.212 24.715 12.951 1.00 0.00 N ATOM 1749 OXT HIS A 109 29.654 25.943 6.860 1.00 0.00 O ATOM 0 H HIS A 109 29.135 22.962 9.841 1.00 0.00 H new ATOM 0 HA HIS A 109 27.858 25.179 8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 109 30.326 25.008 10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 109 29.546 26.500 9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 109 29.110 23.729 12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 109 25.634 26.117 12.620 1.00 0.00 H new ATOM 0 HE2 HIS A 109 26.926 24.256 13.816 1.00 0.00 H new TER 1757 HIS A 109