USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= 0.00134 K(o=0.18,f=1.1) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.175 USER MOD Set 2.1: A 59 MET CE :methyl -171:sc= -1.19 (180deg=-1.36) USER MOD Set 2.2: A 88 MET CE :methyl -120:sc= -0.342 (180deg=-1.96) USER MOD Set 3.1: A 58 MET CE :methyl -109:sc= -3.18 (180deg=-7.12!) USER MOD Set 3.2: A 97 MET CE :methyl 180:sc= -0.765 (180deg=0) USER MOD Set 4.1: A 38 HIS : no HE2:sc= -1.08 K(o=-4.6,f=-8.1) USER MOD Set 4.2: A 87 HIS : no HD1:sc= -3.53! C(o=-4.6!,f=-4.7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -2.62 X(o=-2.6,f=-2.9) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00815 USER MOD Single : A 19 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 31 SER OG : rot 42:sc= -0.254 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 36 LYS NZ :NH3+ -105:sc= 0.0686 (180deg=-0.93) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 57:sc= 0.101 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.153 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.02! C(o=-5!,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot 49:sc= 0.0821 USER MOD Single : A 54 SER OG : rot 128:sc= 1.12 USER MOD Single : A 55 SER OG : rot 160:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= -1.14 (180deg=-2.57!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0.017 (180deg=-0.00962) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.153 K(o=-0.15,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0031 X(o=-0.0031,f=-0.28) USER MOD Single : A 99 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.37) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 155:sc= 0.159 USER MOD Single : A 105 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.68) USER MOD Single : A 106 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.76) USER MOD Single : A 109 SER OG : rot -39:sc= 0 USER MOD Single : A 111 TYR OH : rot 0:sc= -2.3 USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.409 (180deg=-0.777) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.323 12.328 7.222 1.00 0.00 N ATOM 2 CA PRO A 1 -12.943 11.801 5.884 1.00 0.00 C ATOM 3 C PRO A 1 -11.524 12.214 5.492 1.00 0.00 C ATOM 4 O PRO A 1 -11.262 12.555 4.339 1.00 0.00 O ATOM 5 CB PRO A 1 -13.956 12.336 4.874 1.00 0.00 C ATOM 6 CG PRO A 1 -14.810 13.271 5.665 1.00 0.00 C ATOM 7 CD PRO A 1 -14.701 12.834 7.106 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.688 13.072 7.511 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.265 11.595 7.929 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.953 10.711 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.462 12.850 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.547 11.530 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.473 14.300 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.845 13.233 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.880 13.664 7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.431 12.061 7.345 1.00 0.00 H new ATOM 17 N SER A 2 -10.614 12.178 6.460 1.00 0.00 N ATOM 18 CA SER A 2 -9.224 12.545 6.218 1.00 0.00 C ATOM 19 C SER A 2 -8.298 11.355 6.446 1.00 0.00 C ATOM 20 O SER A 2 -7.492 11.010 5.583 1.00 0.00 O ATOM 21 CB SER A 2 -8.815 13.705 7.130 1.00 0.00 C ATOM 22 OG SER A 2 -9.883 14.623 7.296 1.00 0.00 O ATOM 0 H SER A 2 -10.815 11.898 7.420 1.00 0.00 H new ATOM 0 HA SER A 2 -9.134 12.858 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.510 13.318 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.952 14.219 6.706 1.00 0.00 H new ATOM 0 HG SER A 2 -9.598 15.354 7.884 1.00 0.00 H new ATOM 28 N HIS A 3 -8.421 10.731 7.613 1.00 0.00 N ATOM 29 CA HIS A 3 -7.595 9.580 7.954 1.00 0.00 C ATOM 30 C HIS A 3 -8.402 8.289 7.876 1.00 0.00 C ATOM 31 O HIS A 3 -8.242 7.392 8.704 1.00 0.00 O ATOM 32 CB HIS A 3 -7.008 9.745 9.357 1.00 0.00 C ATOM 33 CG HIS A 3 -5.704 10.479 9.378 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.557 11.767 8.906 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.480 10.101 9.819 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.301 12.148 9.055 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.627 11.156 9.607 1.00 0.00 N ATOM 0 H HIS A 3 -9.085 11.004 8.338 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.781 9.522 7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.725 10.277 9.982 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.868 8.760 9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.223 9.147 10.256 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.894 13.108 8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.634 11.171 9.838 1.00 0.00 H new ATOM 46 N SER A 4 -9.272 8.200 6.874 1.00 0.00 N ATOM 47 CA SER A 4 -10.105 7.018 6.686 1.00 0.00 C ATOM 48 C SER A 4 -11.027 7.181 5.480 1.00 0.00 C ATOM 49 O SER A 4 -11.695 8.204 5.331 1.00 0.00 O ATOM 50 CB SER A 4 -10.938 6.750 7.942 1.00 0.00 C ATOM 51 OG SER A 4 -11.672 7.902 8.322 1.00 0.00 O ATOM 0 H SER A 4 -9.418 8.933 6.180 1.00 0.00 H new ATOM 0 HA SER A 4 -9.446 6.169 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.623 5.922 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.283 6.446 8.759 1.00 0.00 H new ATOM 0 HG SER A 4 -12.197 7.705 9.126 1.00 0.00 H new ATOM 57 N GLY A 5 -11.065 6.161 4.629 1.00 0.00 N ATOM 58 CA GLY A 5 -11.913 6.201 3.455 1.00 0.00 C ATOM 59 C GLY A 5 -12.401 4.822 3.073 1.00 0.00 C ATOM 60 O GLY A 5 -11.781 3.823 3.429 1.00 0.00 O ATOM 0 H GLY A 5 -10.521 5.305 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.768 6.850 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.361 6.636 2.622 1.00 0.00 H new ATOM 64 N ALA A 6 -13.511 4.757 2.349 1.00 0.00 N ATOM 65 CA ALA A 6 -14.063 3.475 1.935 1.00 0.00 C ATOM 66 C ALA A 6 -13.192 2.835 0.862 1.00 0.00 C ATOM 67 O ALA A 6 -13.164 3.285 -0.283 1.00 0.00 O ATOM 68 CB ALA A 6 -15.490 3.648 1.442 1.00 0.00 C ATOM 0 H ALA A 6 -14.043 5.570 2.039 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.077 2.809 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.889 2.681 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.105 4.057 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.501 4.330 0.592 1.00 0.00 H new ATOM 74 N ALA A 7 -12.472 1.786 1.249 1.00 0.00 N ATOM 75 CA ALA A 7 -11.584 1.084 0.328 1.00 0.00 C ATOM 76 C ALA A 7 -12.086 -0.328 0.042 1.00 0.00 C ATOM 77 O ALA A 7 -12.869 -0.889 0.806 1.00 0.00 O ATOM 78 CB ALA A 7 -10.168 1.047 0.889 1.00 0.00 C ATOM 0 H ALA A 7 -12.486 1.403 2.194 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.575 1.629 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.515 0.521 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.805 2.065 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.170 0.528 1.848 1.00 0.00 H new ATOM 84 N ILE A 8 -11.630 -0.892 -1.073 1.00 0.00 N ATOM 85 CA ILE A 8 -12.032 -2.235 -1.478 1.00 0.00 C ATOM 86 C ILE A 8 -10.884 -3.227 -1.321 1.00 0.00 C ATOM 87 O ILE A 8 -9.724 -2.891 -1.557 1.00 0.00 O ATOM 88 CB ILE A 8 -12.518 -2.242 -2.940 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.576 -1.145 -3.135 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.060 -3.618 -3.320 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.704 -1.522 -4.069 1.00 0.00 C ATOM 0 H ILE A 8 -10.980 -0.438 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.850 -2.540 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.678 -2.031 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.997 -0.886 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.087 -0.250 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.398 -3.602 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.273 -4.363 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.897 -3.872 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.404 -0.690 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.299 -1.751 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.223 -2.397 -3.678 1.00 0.00 H new ATOM 103 N PHE A 9 -11.214 -4.452 -0.921 1.00 0.00 N ATOM 104 CA PHE A 9 -10.209 -5.492 -0.736 1.00 0.00 C ATOM 105 C PHE A 9 -10.770 -6.857 -1.115 1.00 0.00 C ATOM 106 O PHE A 9 -11.788 -7.290 -0.579 1.00 0.00 O ATOM 107 CB PHE A 9 -9.727 -5.510 0.716 1.00 0.00 C ATOM 108 CG PHE A 9 -8.565 -6.434 0.950 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.437 -6.367 0.148 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.602 -7.369 1.971 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.367 -7.214 0.361 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.535 -8.221 2.189 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.416 -8.143 1.383 1.00 0.00 C ATOM 0 H PHE A 9 -12.169 -4.748 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.364 -5.271 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.442 -4.499 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.553 -5.808 1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.394 -5.644 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.474 -7.433 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.493 -7.150 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.576 -8.946 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.581 -8.807 1.551 1.00 0.00 H new ATOM 123 N GLU A 10 -10.102 -7.531 -2.044 1.00 0.00 N ATOM 124 CA GLU A 10 -10.539 -8.848 -2.497 1.00 0.00 C ATOM 125 C GLU A 10 -11.851 -8.749 -3.273 1.00 0.00 C ATOM 126 O GLU A 10 -12.661 -9.676 -3.260 1.00 0.00 O ATOM 127 CB GLU A 10 -10.699 -9.800 -1.307 1.00 0.00 C ATOM 128 CG GLU A 10 -9.612 -10.859 -1.227 1.00 0.00 C ATOM 129 CD GLU A 10 -9.795 -11.795 -0.048 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.155 -11.308 1.045 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.578 -13.013 -0.218 1.00 0.00 O ATOM 0 H GLU A 10 -9.256 -7.188 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.774 -9.246 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.698 -9.219 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.670 -10.291 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.607 -11.439 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.640 -10.372 -1.152 1.00 0.00 H new ATOM 138 N LYS A 11 -12.046 -7.616 -3.951 1.00 0.00 N ATOM 139 CA LYS A 11 -13.252 -7.377 -4.749 1.00 0.00 C ATOM 140 C LYS A 11 -14.419 -6.893 -3.889 1.00 0.00 C ATOM 141 O LYS A 11 -15.478 -6.548 -4.414 1.00 0.00 O ATOM 142 CB LYS A 11 -13.661 -8.637 -5.521 1.00 0.00 C ATOM 143 CG LYS A 11 -12.492 -9.368 -6.164 1.00 0.00 C ATOM 144 CD LYS A 11 -12.567 -10.867 -5.918 1.00 0.00 C ATOM 145 CE LYS A 11 -12.133 -11.654 -7.143 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.559 -12.979 -6.778 1.00 0.00 N ATOM 0 H LYS A 11 -11.379 -6.844 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.007 -6.589 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.174 -9.318 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.376 -8.361 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.486 -9.174 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.555 -8.979 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.933 -11.130 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.587 -11.142 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.988 -11.798 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.393 -11.079 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.275 -13.484 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.728 -12.841 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.273 -13.538 -6.268 1.00 0.00 H new ATOM 160 N VAL A 12 -14.231 -6.859 -2.571 1.00 0.00 N ATOM 161 CA VAL A 12 -15.279 -6.407 -1.671 1.00 0.00 C ATOM 162 C VAL A 12 -14.980 -5.007 -1.152 1.00 0.00 C ATOM 163 O VAL A 12 -13.840 -4.692 -0.809 1.00 0.00 O ATOM 164 CB VAL A 12 -15.467 -7.376 -0.484 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.260 -7.370 0.444 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.739 -7.043 0.284 1.00 0.00 C ATOM 0 H VAL A 12 -13.366 -7.138 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.207 -6.385 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.561 -8.382 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.430 -8.064 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.373 -7.675 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.111 -6.366 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.854 -7.737 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.677 -6.024 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.598 -7.129 -0.381 1.00 0.00 H new ATOM 176 N SER A 13 -16.002 -4.164 -1.104 1.00 0.00 N ATOM 177 CA SER A 13 -15.825 -2.801 -0.633 1.00 0.00 C ATOM 178 C SER A 13 -15.997 -2.723 0.876 1.00 0.00 C ATOM 179 O SER A 13 -16.928 -3.299 1.439 1.00 0.00 O ATOM 180 CB SER A 13 -16.813 -1.859 -1.317 1.00 0.00 C ATOM 181 OG SER A 13 -18.132 -2.373 -1.265 1.00 0.00 O ATOM 0 H SER A 13 -16.954 -4.399 -1.383 1.00 0.00 H new ATOM 0 HA SER A 13 -14.811 -2.491 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.781 -0.882 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.518 -1.711 -2.356 1.00 0.00 H new ATOM 0 HG SER A 13 -18.744 -1.749 -1.709 1.00 0.00 H new ATOM 187 N GLY A 14 -15.091 -2.005 1.525 1.00 0.00 N ATOM 188 CA GLY A 14 -15.154 -1.861 2.963 1.00 0.00 C ATOM 189 C GLY A 14 -14.820 -0.456 3.413 1.00 0.00 C ATOM 190 O GLY A 14 -15.164 0.518 2.743 1.00 0.00 O ATOM 0 H GLY A 14 -14.313 -1.519 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.154 -2.123 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.462 -2.563 3.427 1.00 0.00 H new ATOM 194 N ILE A 15 -14.142 -0.351 4.547 1.00 0.00 N ATOM 195 CA ILE A 15 -13.755 0.945 5.083 1.00 0.00 C ATOM 196 C ILE A 15 -12.302 0.937 5.515 1.00 0.00 C ATOM 197 O ILE A 15 -11.905 0.166 6.384 1.00 0.00 O ATOM 198 CB ILE A 15 -14.619 1.345 6.293 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.082 0.961 6.055 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.480 2.836 6.572 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.778 1.799 5.005 1.00 0.00 C ATOM 0 H ILE A 15 -13.849 -1.147 5.113 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.905 1.670 4.283 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.268 0.803 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.128 -0.087 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.627 1.049 6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.096 3.105 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.437 3.070 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.807 3.401 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.809 1.463 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.767 2.846 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.260 1.692 4.052 1.00 0.00 H new ATOM 213 N ILE A 16 -11.516 1.813 4.919 1.00 0.00 N ATOM 214 CA ILE A 16 -10.110 1.920 5.255 1.00 0.00 C ATOM 215 C ILE A 16 -9.912 3.063 6.240 1.00 0.00 C ATOM 216 O ILE A 16 -10.289 4.200 5.969 1.00 0.00 O ATOM 217 CB ILE A 16 -9.249 2.121 3.980 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.522 0.822 3.632 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.247 3.255 4.127 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.616 0.937 2.423 1.00 0.00 C ATOM 0 H ILE A 16 -11.829 2.463 4.198 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.782 0.992 5.723 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.927 2.394 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.929 0.506 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.260 0.041 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.671 3.353 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.778 4.186 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.573 3.040 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.134 -0.023 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.206 1.222 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.855 1.695 2.609 1.00 0.00 H new ATOM 232 N ALA A 17 -9.344 2.752 7.393 1.00 0.00 N ATOM 233 CA ALA A 17 -9.130 3.761 8.419 1.00 0.00 C ATOM 234 C ALA A 17 -7.786 3.572 9.112 1.00 0.00 C ATOM 235 O ALA A 17 -7.426 2.462 9.504 1.00 0.00 O ATOM 236 CB ALA A 17 -10.274 3.725 9.421 1.00 0.00 C ATOM 0 H ALA A 17 -9.024 1.816 7.642 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.110 4.741 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.110 4.482 10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.214 3.926 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.319 2.741 9.887 1.00 0.00 H new ATOM 242 N ILE A 18 -7.045 4.667 9.251 1.00 0.00 N ATOM 243 CA ILE A 18 -5.733 4.634 9.885 1.00 0.00 C ATOM 244 C ILE A 18 -5.841 4.752 11.402 1.00 0.00 C ATOM 245 O ILE A 18 -6.449 5.689 11.923 1.00 0.00 O ATOM 246 CB ILE A 18 -4.830 5.765 9.352 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.769 5.719 7.825 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.430 5.659 9.944 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.860 6.523 7.151 1.00 0.00 C ATOM 0 H ILE A 18 -7.333 5.592 8.931 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.287 3.671 9.638 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.258 6.720 9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.799 6.092 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.839 4.682 7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.809 6.466 9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.487 5.736 11.030 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.991 4.699 9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.754 6.444 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.834 6.136 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.778 7.568 7.448 1.00 0.00 H new ATOM 261 N ASN A 19 -5.239 3.797 12.105 1.00 0.00 N ATOM 262 CA ASN A 19 -5.253 3.789 13.563 1.00 0.00 C ATOM 263 C ASN A 19 -4.012 4.478 14.117 1.00 0.00 C ATOM 264 O ASN A 19 -2.968 3.850 14.295 1.00 0.00 O ATOM 265 CB ASN A 19 -5.330 2.353 14.085 1.00 0.00 C ATOM 266 CG ASN A 19 -6.181 2.237 15.335 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.068 3.056 15.574 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.913 1.216 16.140 1.00 0.00 N ATOM 0 H ASN A 19 -4.734 3.016 11.686 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.134 4.336 13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.741 1.708 13.308 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.324 1.993 14.299 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.452 1.087 16.996 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.168 0.561 15.902 1.00 0.00 H new ATOM 275 N GLU A 20 -4.134 5.773 14.391 1.00 0.00 N ATOM 276 CA GLU A 20 -3.023 6.548 14.928 1.00 0.00 C ATOM 277 C GLU A 20 -3.091 6.622 16.450 1.00 0.00 C ATOM 278 O GLU A 20 -2.564 7.551 17.061 1.00 0.00 O ATOM 279 CB GLU A 20 -3.023 7.960 14.336 1.00 0.00 C ATOM 280 CG GLU A 20 -2.777 7.990 12.836 1.00 0.00 C ATOM 281 CD GLU A 20 -2.081 9.259 12.385 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.833 9.291 12.407 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.785 10.221 12.011 1.00 0.00 O ATOM 0 H GLU A 20 -4.991 6.307 14.250 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.097 6.045 14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.981 8.434 14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.256 8.554 14.834 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.172 7.128 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.729 7.897 12.313 1.00 0.00 H new ATOM 290 N ASP A 21 -3.740 5.633 17.056 1.00 0.00 N ATOM 291 CA ASP A 21 -3.870 5.581 18.506 1.00 0.00 C ATOM 292 C ASP A 21 -2.910 4.554 19.102 1.00 0.00 C ATOM 293 O ASP A 21 -2.760 4.468 20.321 1.00 0.00 O ATOM 294 CB ASP A 21 -5.309 5.239 18.897 1.00 0.00 C ATOM 295 CG ASP A 21 -6.260 6.399 18.674 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.301 7.306 19.531 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.964 6.399 17.643 1.00 0.00 O ATOM 0 H ASP A 21 -4.184 4.857 16.565 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.616 6.563 18.905 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.646 4.380 18.317 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.338 4.946 19.946 1.00 0.00 H new ATOM 302 N VAL A 22 -2.260 3.777 18.238 1.00 0.00 N ATOM 303 CA VAL A 22 -1.315 2.761 18.688 1.00 0.00 C ATOM 304 C VAL A 22 0.123 3.233 18.496 1.00 0.00 C ATOM 305 O VAL A 22 0.359 4.364 18.071 1.00 0.00 O ATOM 306 CB VAL A 22 -1.516 1.433 17.931 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.943 0.934 18.098 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.170 1.596 16.457 1.00 0.00 C ATOM 0 H VAL A 22 -2.371 3.832 17.226 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.503 2.595 19.749 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.842 0.690 18.357 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.066 -0.004 17.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.151 0.773 19.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.636 1.675 17.701 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.319 0.647 15.941 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.815 2.355 16.014 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.129 1.903 16.359 1.00 0.00 H new ATOM 318 N SER A 23 1.081 2.361 18.795 1.00 0.00 N ATOM 319 CA SER A 23 2.487 2.709 18.632 1.00 0.00 C ATOM 320 C SER A 23 2.792 2.921 17.152 1.00 0.00 C ATOM 321 O SER A 23 3.054 4.046 16.726 1.00 0.00 O ATOM 322 CB SER A 23 3.391 1.629 19.231 1.00 0.00 C ATOM 323 OG SER A 23 3.970 2.067 20.448 1.00 0.00 O ATOM 0 H SER A 23 0.912 1.419 19.147 1.00 0.00 H new ATOM 0 HA SER A 23 2.687 3.636 19.169 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.813 0.722 19.405 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.178 1.374 18.521 1.00 0.00 H new ATOM 0 HG SER A 23 4.542 1.359 20.812 1.00 0.00 H new ATOM 329 N PRO A 24 2.736 1.852 16.331 1.00 0.00 N ATOM 330 CA PRO A 24 2.977 1.954 14.902 1.00 0.00 C ATOM 331 C PRO A 24 1.682 2.221 14.150 1.00 0.00 C ATOM 332 O PRO A 24 0.816 1.351 14.061 1.00 0.00 O ATOM 333 CB PRO A 24 3.506 0.574 14.563 1.00 0.00 C ATOM 334 CG PRO A 24 2.750 -0.340 15.471 1.00 0.00 C ATOM 335 CD PRO A 24 2.405 0.462 16.711 1.00 0.00 C ATOM 0 HA PRO A 24 3.652 2.767 14.634 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.333 0.327 13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.580 0.506 14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.847 -0.708 14.985 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.351 -1.212 15.729 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.353 0.359 16.975 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.984 0.134 17.574 1.00 0.00 H new ATOM 343 N ALA A 25 1.545 3.427 13.621 1.00 0.00 N ATOM 344 CA ALA A 25 0.340 3.801 12.889 1.00 0.00 C ATOM 345 C ALA A 25 -0.014 2.754 11.839 1.00 0.00 C ATOM 346 O ALA A 25 0.714 2.560 10.868 1.00 0.00 O ATOM 347 CB ALA A 25 0.511 5.170 12.250 1.00 0.00 C ATOM 0 H ALA A 25 2.249 4.162 13.683 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.486 3.851 13.599 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.397 5.434 11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.700 5.912 13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.353 5.146 11.558 1.00 0.00 H new ATOM 353 N GLU A 26 -1.136 2.074 12.052 1.00 0.00 N ATOM 354 CA GLU A 26 -1.592 1.037 11.136 1.00 0.00 C ATOM 355 C GLU A 26 -2.853 1.478 10.395 1.00 0.00 C ATOM 356 O GLU A 26 -3.505 2.447 10.778 1.00 0.00 O ATOM 357 CB GLU A 26 -1.872 -0.256 11.905 1.00 0.00 C ATOM 358 CG GLU A 26 -2.987 -0.125 12.930 1.00 0.00 C ATOM 359 CD GLU A 26 -3.058 -1.313 13.869 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.070 -1.556 14.595 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.099 -2.001 13.878 1.00 0.00 O ATOM 0 H GLU A 26 -1.748 2.224 12.854 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.804 0.861 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.132 -1.042 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.960 -0.573 12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.836 0.785 13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.940 -0.018 12.413 1.00 0.00 H new ATOM 368 N LEU A 27 -3.195 0.744 9.344 1.00 0.00 N ATOM 369 CA LEU A 27 -4.380 1.028 8.551 1.00 0.00 C ATOM 370 C LEU A 27 -5.346 -0.148 8.655 1.00 0.00 C ATOM 371 O LEU A 27 -5.067 -1.235 8.148 1.00 0.00 O ATOM 372 CB LEU A 27 -3.993 1.271 7.090 1.00 0.00 C ATOM 373 CG LEU A 27 -5.166 1.447 6.124 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.904 2.602 5.169 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.417 0.162 5.347 1.00 0.00 C ATOM 0 H LEU A 27 -2.660 -0.062 9.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.864 1.928 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.366 2.161 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.385 0.434 6.748 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.058 1.677 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.749 2.711 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.774 3.522 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.000 2.401 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.255 0.307 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.526 -0.098 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.650 -0.644 6.043 1.00 0.00 H new ATOM 387 N THR A 28 -6.465 0.058 9.340 1.00 0.00 N ATOM 388 CA THR A 28 -7.440 -1.011 9.535 1.00 0.00 C ATOM 389 C THR A 28 -8.602 -0.930 8.551 1.00 0.00 C ATOM 390 O THR A 28 -9.426 -0.017 8.618 1.00 0.00 O ATOM 391 CB THR A 28 -7.978 -0.973 10.966 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.919 -0.824 11.896 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.753 -2.216 11.347 1.00 0.00 C ATOM 0 H THR A 28 -6.720 0.948 9.767 1.00 0.00 H new ATOM 0 HA THR A 28 -6.922 -1.952 9.353 1.00 0.00 H new ATOM 0 HB THR A 28 -8.655 -0.119 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.283 -0.800 12.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.106 -2.124 12.374 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.606 -2.332 10.679 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.105 -3.089 11.263 1.00 0.00 H new ATOM 401 N TRP A 29 -8.675 -1.911 7.654 1.00 0.00 N ATOM 402 CA TRP A 29 -9.744 -1.977 6.677 1.00 0.00 C ATOM 403 C TRP A 29 -10.922 -2.766 7.239 1.00 0.00 C ATOM 404 O TRP A 29 -10.838 -3.981 7.413 1.00 0.00 O ATOM 405 CB TRP A 29 -9.257 -2.642 5.390 1.00 0.00 C ATOM 406 CG TRP A 29 -10.363 -2.889 4.414 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.020 -1.950 3.685 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.958 -4.148 4.081 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.983 -2.543 2.902 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.964 -3.895 3.129 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.734 -5.466 4.491 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.745 -4.911 2.583 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.510 -6.472 3.949 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.504 -6.191 3.005 1.00 0.00 C ATOM 0 H TRP A 29 -7.999 -2.672 7.589 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.062 -0.959 6.452 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.500 -2.011 4.924 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.776 -3.589 5.635 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.816 -0.890 3.716 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.608 -2.057 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.968 -5.693 5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.512 -4.697 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.347 -7.493 4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.093 -7.001 2.601 1.00 0.00 H new ATOM 425 N ARG A 30 -12.017 -2.075 7.510 1.00 0.00 N ATOM 426 CA ARG A 30 -13.212 -2.720 8.039 1.00 0.00 C ATOM 427 C ARG A 30 -14.323 -2.712 6.996 1.00 0.00 C ATOM 428 O ARG A 30 -14.805 -1.652 6.602 1.00 0.00 O ATOM 429 CB ARG A 30 -13.682 -2.014 9.312 1.00 0.00 C ATOM 430 CG ARG A 30 -12.559 -1.713 10.291 1.00 0.00 C ATOM 431 CD ARG A 30 -13.085 -1.552 11.708 1.00 0.00 C ATOM 432 NE ARG A 30 -14.234 -0.651 11.766 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.920 -0.395 12.878 1.00 0.00 C ATOM 434 NH1 ARG A 30 -14.575 -0.967 14.025 1.00 0.00 N ATOM 435 NH2 ARG A 30 -15.953 0.436 12.843 1.00 0.00 N ATOM 0 H ARG A 30 -12.105 -1.068 7.373 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.966 -3.753 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.175 -1.081 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.428 -2.635 9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.825 -2.518 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.044 -0.802 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.369 -2.528 12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.291 -1.168 12.348 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.528 -0.191 10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.781 -1.606 14.058 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.104 -0.767 14.874 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.222 0.879 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.479 0.632 13.695 1.00 0.00 H new ATOM 449 N SER A 31 -14.723 -3.900 6.546 1.00 0.00 N ATOM 450 CA SER A 31 -15.773 -4.022 5.538 1.00 0.00 C ATOM 451 C SER A 31 -16.972 -3.144 5.881 1.00 0.00 C ATOM 452 O SER A 31 -17.070 -2.614 6.988 1.00 0.00 O ATOM 453 CB SER A 31 -16.216 -5.479 5.404 1.00 0.00 C ATOM 454 OG SER A 31 -15.141 -6.302 4.990 1.00 0.00 O ATOM 0 H SER A 31 -14.337 -4.789 6.863 1.00 0.00 H new ATOM 0 HA SER A 31 -15.362 -3.684 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.603 -5.834 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.031 -5.550 4.684 1.00 0.00 H new ATOM 0 HG SER A 31 -14.326 -6.039 5.466 1.00 0.00 H new ATOM 460 N THR A 32 -17.884 -3.001 4.928 1.00 0.00 N ATOM 461 CA THR A 32 -19.076 -2.198 5.128 1.00 0.00 C ATOM 462 C THR A 32 -19.994 -2.894 6.110 1.00 0.00 C ATOM 463 O THR A 32 -20.611 -2.267 6.971 1.00 0.00 O ATOM 464 CB THR A 32 -19.800 -1.983 3.802 1.00 0.00 C ATOM 465 OG1 THR A 32 -19.071 -2.554 2.729 1.00 0.00 O ATOM 466 CG2 THR A 32 -20.028 -0.524 3.476 1.00 0.00 C ATOM 0 H THR A 32 -17.817 -3.434 4.007 1.00 0.00 H new ATOM 0 HA THR A 32 -18.787 -1.226 5.527 1.00 0.00 H new ATOM 0 HB THR A 32 -20.768 -2.469 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.554 -2.405 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.547 -0.441 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.633 -0.067 4.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.068 -0.011 3.413 1.00 0.00 H new ATOM 474 N ASP A 33 -20.069 -4.206 5.963 1.00 0.00 N ATOM 475 CA ASP A 33 -20.901 -5.024 6.824 1.00 0.00 C ATOM 476 C ASP A 33 -20.104 -5.564 8.004 1.00 0.00 C ATOM 477 O ASP A 33 -20.622 -5.687 9.115 1.00 0.00 O ATOM 478 CB ASP A 33 -21.519 -6.178 6.033 1.00 0.00 C ATOM 479 CG ASP A 33 -22.870 -6.595 6.580 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.901 -7.376 7.554 1.00 0.00 O ATOM 481 OD2 ASP A 33 -23.898 -6.142 6.034 1.00 0.00 O ATOM 0 H ASP A 33 -19.560 -4.729 5.250 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.702 -4.394 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.628 -5.882 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.842 -7.032 6.053 1.00 0.00 H new ATOM 486 N GLY A 34 -18.844 -5.885 7.754 1.00 0.00 N ATOM 487 CA GLY A 34 -17.988 -6.412 8.800 1.00 0.00 C ATOM 488 C GLY A 34 -17.633 -7.869 8.578 1.00 0.00 C ATOM 489 O GLY A 34 -17.162 -8.546 9.490 1.00 0.00 O ATOM 0 H GLY A 34 -18.396 -5.790 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.073 -5.821 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.488 -6.305 9.763 1.00 0.00 H new ATOM 493 N ASP A 35 -17.861 -8.352 7.360 1.00 0.00 N ATOM 494 CA ASP A 35 -17.562 -9.735 7.020 1.00 0.00 C ATOM 495 C ASP A 35 -16.073 -9.926 6.754 1.00 0.00 C ATOM 496 O ASP A 35 -15.571 -11.050 6.777 1.00 0.00 O ATOM 497 CB ASP A 35 -18.370 -10.167 5.795 1.00 0.00 C ATOM 498 CG ASP A 35 -18.769 -11.629 5.851 1.00 0.00 C ATOM 499 OD1 ASP A 35 -19.789 -11.941 6.500 1.00 0.00 O ATOM 500 OD2 ASP A 35 -18.062 -12.461 5.245 1.00 0.00 O ATOM 0 H ASP A 35 -18.252 -7.804 6.594 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.841 -10.357 7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.266 -9.551 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.783 -9.988 4.894 1.00 0.00 H new ATOM 505 N LYS A 36 -15.368 -8.827 6.502 1.00 0.00 N ATOM 506 CA LYS A 36 -13.934 -8.895 6.233 1.00 0.00 C ATOM 507 C LYS A 36 -13.189 -7.743 6.897 1.00 0.00 C ATOM 508 O LYS A 36 -13.685 -6.618 6.959 1.00 0.00 O ATOM 509 CB LYS A 36 -13.670 -8.889 4.725 1.00 0.00 C ATOM 510 CG LYS A 36 -14.646 -9.743 3.931 1.00 0.00 C ATOM 511 CD LYS A 36 -13.980 -10.363 2.714 1.00 0.00 C ATOM 512 CE LYS A 36 -13.564 -11.802 2.980 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.267 -12.134 2.328 1.00 0.00 N ATOM 0 H LYS A 36 -15.761 -7.886 6.478 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.563 -9.829 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.719 -7.863 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.656 -9.245 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.045 -10.531 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.491 -9.132 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.665 -10.332 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.105 -9.775 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.482 -11.964 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.338 -12.477 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.441 -12.725 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.789 -11.257 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.664 -12.653 2.998 1.00 0.00 H new ATOM 527 N VAL A 37 -11.992 -8.037 7.393 1.00 0.00 N ATOM 528 CA VAL A 37 -11.170 -7.035 8.055 1.00 0.00 C ATOM 529 C VAL A 37 -9.687 -7.253 7.745 1.00 0.00 C ATOM 530 O VAL A 37 -9.166 -8.357 7.908 1.00 0.00 O ATOM 531 CB VAL A 37 -11.408 -7.049 9.586 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.256 -7.710 10.335 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.641 -5.637 10.097 1.00 0.00 C ATOM 0 H VAL A 37 -11.570 -8.964 7.348 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.461 -6.058 7.670 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.301 -7.645 9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.464 -7.699 11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.146 -8.741 9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.333 -7.164 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.807 -5.663 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.768 -5.022 9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.516 -5.212 9.605 1.00 0.00 H new ATOM 543 N HIS A 38 -9.015 -6.198 7.296 1.00 0.00 N ATOM 544 CA HIS A 38 -7.595 -6.281 6.964 1.00 0.00 C ATOM 545 C HIS A 38 -6.839 -5.069 7.501 1.00 0.00 C ATOM 546 O HIS A 38 -7.163 -3.930 7.172 1.00 0.00 O ATOM 547 CB HIS A 38 -7.408 -6.383 5.449 1.00 0.00 C ATOM 548 CG HIS A 38 -6.266 -7.262 5.045 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.355 -8.638 4.998 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.002 -6.956 4.666 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.195 -9.138 4.610 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.359 -8.139 4.401 1.00 0.00 N ATOM 0 H HIS A 38 -9.429 -5.277 7.153 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.190 -7.177 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.326 -6.766 5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.248 -5.384 5.043 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -7.186 -9.184 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.579 -5.965 4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.969 -10.187 4.485 1.00 0.00 H new ATOM 561 N THR A 39 -5.834 -5.323 8.333 1.00 0.00 N ATOM 562 CA THR A 39 -5.039 -4.249 8.919 1.00 0.00 C ATOM 563 C THR A 39 -3.665 -4.152 8.262 1.00 0.00 C ATOM 564 O THR A 39 -3.084 -5.158 7.857 1.00 0.00 O ATOM 565 CB THR A 39 -4.881 -4.470 10.424 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.955 -5.239 10.934 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.823 -3.181 11.215 1.00 0.00 C ATOM 0 H THR A 39 -5.551 -6.261 8.616 1.00 0.00 H new ATOM 0 HA THR A 39 -5.566 -3.311 8.745 1.00 0.00 H new ATOM 0 HB THR A 39 -3.932 -4.992 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.834 -5.371 11.898 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.710 -3.409 12.275 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.973 -2.586 10.880 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.743 -2.618 11.061 1.00 0.00 H new ATOM 575 N VAL A 40 -3.149 -2.928 8.170 1.00 0.00 N ATOM 576 CA VAL A 40 -1.841 -2.684 7.573 1.00 0.00 C ATOM 577 C VAL A 40 -1.001 -1.799 8.468 1.00 0.00 C ATOM 578 O VAL A 40 -1.478 -0.802 8.995 1.00 0.00 O ATOM 579 CB VAL A 40 -1.964 -2.015 6.191 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.718 -1.205 5.839 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.225 -3.068 5.137 1.00 0.00 C ATOM 0 H VAL A 40 -3.621 -2.087 8.503 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.360 -3.655 7.455 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.802 -1.319 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.845 -0.750 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.569 -0.424 6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.151 -1.863 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.312 -2.592 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.400 -3.780 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.152 -3.592 5.368 1.00 0.00 H new ATOM 591 N VAL A 41 0.255 -2.154 8.625 1.00 0.00 N ATOM 592 CA VAL A 41 1.141 -1.352 9.448 1.00 0.00 C ATOM 593 C VAL A 41 2.028 -0.459 8.590 1.00 0.00 C ATOM 594 O VAL A 41 2.989 -0.921 7.974 1.00 0.00 O ATOM 595 CB VAL A 41 1.992 -2.215 10.398 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.965 -1.353 11.193 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.080 -2.991 11.332 1.00 0.00 C ATOM 0 H VAL A 41 0.683 -2.978 8.203 1.00 0.00 H new ATOM 0 HA VAL A 41 0.508 -0.716 10.068 1.00 0.00 H new ATOM 0 HB VAL A 41 2.579 -2.917 9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.554 -1.986 11.856 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.630 -0.828 10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.408 -0.627 11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.682 -3.602 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.479 -2.294 11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.423 -3.635 10.747 1.00 0.00 H new ATOM 607 N LEU A 42 1.687 0.824 8.556 1.00 0.00 N ATOM 608 CA LEU A 42 2.434 1.802 7.774 1.00 0.00 C ATOM 609 C LEU A 42 3.923 1.766 8.121 1.00 0.00 C ATOM 610 O LEU A 42 4.764 2.169 7.318 1.00 0.00 O ATOM 611 CB LEU A 42 1.869 3.206 8.011 1.00 0.00 C ATOM 612 CG LEU A 42 0.540 3.502 7.310 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.666 3.261 5.815 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.583 2.653 7.898 1.00 0.00 C ATOM 0 H LEU A 42 0.893 1.213 9.064 1.00 0.00 H new ATOM 0 HA LEU A 42 2.328 1.547 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.736 3.350 9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.606 3.937 7.680 1.00 0.00 H new ATOM 0 HG LEU A 42 0.292 4.551 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.286 3.476 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.437 3.913 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.938 2.221 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.518 2.880 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.346 1.597 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.689 2.875 8.960 1.00 0.00 H new ATOM 626 N SER A 43 4.241 1.281 9.319 1.00 0.00 N ATOM 627 CA SER A 43 5.628 1.194 9.764 1.00 0.00 C ATOM 628 C SER A 43 6.421 0.224 8.895 1.00 0.00 C ATOM 629 O SER A 43 7.625 0.390 8.698 1.00 0.00 O ATOM 630 CB SER A 43 5.691 0.754 11.228 1.00 0.00 C ATOM 631 OG SER A 43 6.915 1.146 11.826 1.00 0.00 O ATOM 0 H SER A 43 3.558 0.943 9.997 1.00 0.00 H new ATOM 0 HA SER A 43 6.074 2.184 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.858 1.190 11.778 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.582 -0.329 11.291 1.00 0.00 H new ATOM 0 HG SER A 43 7.023 2.117 11.745 1.00 0.00 H new ATOM 637 N THR A 44 5.734 -0.783 8.374 1.00 0.00 N ATOM 638 CA THR A 44 6.367 -1.782 7.517 1.00 0.00 C ATOM 639 C THR A 44 6.208 -1.406 6.055 1.00 0.00 C ATOM 640 O THR A 44 7.076 -1.683 5.228 1.00 0.00 O ATOM 641 CB THR A 44 5.763 -3.169 7.759 1.00 0.00 C ATOM 642 OG1 THR A 44 4.629 -3.376 6.934 1.00 0.00 O ATOM 643 CG2 THR A 44 5.329 -3.393 9.190 1.00 0.00 C ATOM 0 H THR A 44 4.737 -0.932 8.529 1.00 0.00 H new ATOM 0 HA THR A 44 7.428 -1.812 7.766 1.00 0.00 H new ATOM 0 HB THR A 44 6.561 -3.873 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.956 -2.690 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.911 -4.394 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.189 -3.291 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.574 -2.655 9.461 1.00 0.00 H new ATOM 651 N ILE A 45 5.084 -0.778 5.749 1.00 0.00 N ATOM 652 CA ILE A 45 4.780 -0.357 4.387 1.00 0.00 C ATOM 653 C ILE A 45 5.987 0.314 3.733 1.00 0.00 C ATOM 654 O ILE A 45 6.319 1.458 4.038 1.00 0.00 O ATOM 655 CB ILE A 45 3.571 0.602 4.350 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.316 -0.109 4.863 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.342 1.132 2.940 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.076 -1.459 4.217 1.00 0.00 C ATOM 0 H ILE A 45 4.361 -0.546 6.430 1.00 0.00 H new ATOM 0 HA ILE A 45 4.529 -1.256 3.825 1.00 0.00 H new ATOM 0 HB ILE A 45 3.786 1.450 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.399 -0.241 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.450 0.528 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.485 1.805 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.228 1.672 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.149 0.298 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.170 -1.904 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.960 -1.332 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.925 -2.114 4.416 1.00 0.00 H new ATOM 670 N ASP A 46 6.641 -0.419 2.837 1.00 0.00 N ATOM 671 CA ASP A 46 7.815 0.091 2.141 1.00 0.00 C ATOM 672 C ASP A 46 7.459 1.272 1.245 1.00 0.00 C ATOM 673 O ASP A 46 8.270 2.177 1.051 1.00 0.00 O ATOM 674 CB ASP A 46 8.459 -1.019 1.308 1.00 0.00 C ATOM 675 CG ASP A 46 9.973 -1.001 1.394 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.538 0.072 1.687 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.593 -2.062 1.167 1.00 0.00 O ATOM 0 H ASP A 46 6.377 -1.369 2.576 1.00 0.00 H new ATOM 0 HA ASP A 46 8.525 0.436 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.090 -1.986 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.155 -0.911 0.267 1.00 0.00 H new ATOM 682 N LYS A 47 6.248 1.261 0.694 1.00 0.00 N ATOM 683 CA LYS A 47 5.811 2.338 -0.184 1.00 0.00 C ATOM 684 C LYS A 47 4.332 2.208 -0.525 1.00 0.00 C ATOM 685 O LYS A 47 3.750 1.129 -0.424 1.00 0.00 O ATOM 686 CB LYS A 47 6.640 2.344 -1.470 1.00 0.00 C ATOM 687 CG LYS A 47 7.061 0.960 -1.941 1.00 0.00 C ATOM 688 CD LYS A 47 8.129 1.039 -3.019 1.00 0.00 C ATOM 689 CE LYS A 47 8.503 -0.341 -3.535 1.00 0.00 C ATOM 690 NZ LYS A 47 8.844 -0.318 -4.985 1.00 0.00 N ATOM 0 H LYS A 47 5.558 0.524 0.839 1.00 0.00 H new ATOM 0 HA LYS A 47 5.959 3.279 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.063 2.825 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.532 2.950 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.439 0.386 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.192 0.426 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.769 1.652 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.015 1.532 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.352 -0.723 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.674 -1.028 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.093 -1.278 -5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.025 0.022 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.652 0.318 -5.142 1.00 0.00 H new ATOM 704 N LEU A 48 3.735 3.319 -0.940 1.00 0.00 N ATOM 705 CA LEU A 48 2.327 3.342 -1.312 1.00 0.00 C ATOM 706 C LEU A 48 2.183 3.504 -2.820 1.00 0.00 C ATOM 707 O LEU A 48 3.069 4.049 -3.480 1.00 0.00 O ATOM 708 CB LEU A 48 1.603 4.481 -0.591 1.00 0.00 C ATOM 709 CG LEU A 48 0.074 4.427 -0.663 1.00 0.00 C ATOM 710 CD1 LEU A 48 -0.530 4.413 0.734 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.465 5.602 -1.466 1.00 0.00 C ATOM 0 H LEU A 48 4.207 4.219 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 48 1.875 2.396 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.902 4.475 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.938 5.429 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.212 3.504 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.617 4.375 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.172 3.538 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.234 5.317 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.553 5.547 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.167 6.536 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.062 5.566 -2.478 1.00 0.00 H new ATOM 723 N GLN A 49 1.072 3.025 -3.362 1.00 0.00 N ATOM 724 CA GLN A 49 0.831 3.117 -4.797 1.00 0.00 C ATOM 725 C GLN A 49 -0.573 3.639 -5.086 1.00 0.00 C ATOM 726 O GLN A 49 -1.545 3.221 -4.456 1.00 0.00 O ATOM 727 CB GLN A 49 1.029 1.749 -5.451 1.00 0.00 C ATOM 728 CG GLN A 49 2.444 1.517 -5.959 1.00 0.00 C ATOM 729 CD GLN A 49 3.067 0.256 -5.395 1.00 0.00 C ATOM 730 OE1 GLN A 49 4.165 0.287 -4.840 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.367 -0.864 -5.534 1.00 0.00 N ATOM 0 H GLN A 49 0.327 2.571 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 49 1.548 3.822 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.778 0.971 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.332 1.649 -6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.430 1.455 -7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.065 2.373 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.460 -0.844 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.736 -1.744 -5.174 1.00 0.00 H new ATOM 740 N ALA A 50 -0.671 4.556 -6.044 1.00 0.00 N ATOM 741 CA ALA A 50 -1.954 5.137 -6.420 1.00 0.00 C ATOM 742 C ALA A 50 -2.012 5.417 -7.917 1.00 0.00 C ATOM 743 O ALA A 50 -1.069 5.956 -8.494 1.00 0.00 O ATOM 744 CB ALA A 50 -2.205 6.413 -5.632 1.00 0.00 C ATOM 0 H ALA A 50 0.124 4.913 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.736 4.416 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.166 6.837 -5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.216 6.186 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.413 7.132 -5.842 1.00 0.00 H new ATOM 750 N THR A 51 -3.129 5.047 -8.539 1.00 0.00 N ATOM 751 CA THR A 51 -3.322 5.252 -9.975 1.00 0.00 C ATOM 752 C THR A 51 -2.877 6.645 -10.408 1.00 0.00 C ATOM 753 O THR A 51 -3.613 7.620 -10.256 1.00 0.00 O ATOM 754 CB THR A 51 -4.790 5.041 -10.352 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.646 5.670 -9.413 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.185 3.582 -10.432 1.00 0.00 C ATOM 0 H THR A 51 -3.918 4.602 -8.070 1.00 0.00 H new ATOM 0 HA THR A 51 -2.705 4.520 -10.495 1.00 0.00 H new ATOM 0 HB THR A 51 -4.899 5.483 -11.342 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.344 6.590 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.238 3.504 -10.703 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.578 3.082 -11.186 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.024 3.108 -9.464 1.00 0.00 H new ATOM 764 N PRO A 52 -1.665 6.748 -10.973 1.00 0.00 N ATOM 765 CA PRO A 52 -1.105 8.012 -11.459 1.00 0.00 C ATOM 766 C PRO A 52 -2.087 8.777 -12.337 1.00 0.00 C ATOM 767 O PRO A 52 -3.070 8.215 -12.821 1.00 0.00 O ATOM 768 CB PRO A 52 0.114 7.571 -12.285 1.00 0.00 C ATOM 769 CG PRO A 52 -0.057 6.100 -12.454 1.00 0.00 C ATOM 770 CD PRO A 52 -0.736 5.640 -11.213 1.00 0.00 C ATOM 0 HA PRO A 52 -0.860 8.689 -10.641 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.145 8.080 -13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.046 7.805 -11.771 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.654 5.872 -13.337 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.905 5.604 -12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.254 4.691 -11.354 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.037 5.502 -10.388 1.00 0.00 H new ATOM 778 N ALA A 53 -1.813 10.059 -12.545 1.00 0.00 N ATOM 779 CA ALA A 53 -2.670 10.898 -13.373 1.00 0.00 C ATOM 780 C ALA A 53 -2.827 10.319 -14.779 1.00 0.00 C ATOM 781 O ALA A 53 -3.753 10.681 -15.506 1.00 0.00 O ATOM 782 CB ALA A 53 -2.113 12.312 -13.443 1.00 0.00 C ATOM 0 H ALA A 53 -1.004 10.540 -12.152 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.657 10.927 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.762 12.929 -14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.064 12.734 -12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.113 12.288 -13.876 1.00 0.00 H new ATOM 788 N SER A 54 -1.919 9.420 -15.160 1.00 0.00 N ATOM 789 CA SER A 54 -1.968 8.802 -16.481 1.00 0.00 C ATOM 790 C SER A 54 -2.960 7.642 -16.511 1.00 0.00 C ATOM 791 O SER A 54 -3.438 7.250 -17.576 1.00 0.00 O ATOM 792 CB SER A 54 -0.578 8.310 -16.889 1.00 0.00 C ATOM 793 OG SER A 54 0.161 7.876 -15.759 1.00 0.00 O ATOM 0 H SER A 54 -1.145 9.106 -14.574 1.00 0.00 H new ATOM 0 HA SER A 54 -2.304 9.557 -17.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.673 7.491 -17.602 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.039 9.111 -17.394 1.00 0.00 H new ATOM 0 HG SER A 54 0.501 6.971 -15.918 1.00 0.00 H new ATOM 799 N SER A 55 -3.266 7.098 -15.339 1.00 0.00 N ATOM 800 CA SER A 55 -4.201 5.983 -15.234 1.00 0.00 C ATOM 801 C SER A 55 -5.636 6.488 -15.129 1.00 0.00 C ATOM 802 O SER A 55 -5.918 7.444 -14.406 1.00 0.00 O ATOM 803 CB SER A 55 -3.862 5.119 -14.018 1.00 0.00 C ATOM 804 OG SER A 55 -4.672 3.957 -13.978 1.00 0.00 O ATOM 0 H SER A 55 -2.881 7.410 -14.448 1.00 0.00 H new ATOM 0 HA SER A 55 -4.111 5.378 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.811 4.833 -14.053 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.005 5.698 -13.105 1.00 0.00 H new ATOM 0 HG SER A 55 -4.246 3.281 -13.411 1.00 0.00 H new ATOM 810 N GLU A 56 -6.541 5.839 -15.856 1.00 0.00 N ATOM 811 CA GLU A 56 -7.948 6.224 -15.843 1.00 0.00 C ATOM 812 C GLU A 56 -8.711 5.491 -14.742 1.00 0.00 C ATOM 813 O GLU A 56 -9.789 5.919 -14.334 1.00 0.00 O ATOM 814 CB GLU A 56 -8.593 5.942 -17.203 1.00 0.00 C ATOM 815 CG GLU A 56 -7.714 6.322 -18.385 1.00 0.00 C ATOM 816 CD GLU A 56 -8.385 6.055 -19.718 1.00 0.00 C ATOM 817 OE1 GLU A 56 -9.533 6.509 -19.907 1.00 0.00 O ATOM 818 OE2 GLU A 56 -7.761 5.392 -20.573 1.00 0.00 O ATOM 0 H GLU A 56 -6.326 5.046 -16.460 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.998 7.294 -15.640 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.836 4.881 -17.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.534 6.489 -17.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.456 7.379 -18.317 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.780 5.762 -18.334 1.00 0.00 H new ATOM 825 N LYS A 57 -8.146 4.386 -14.267 1.00 0.00 N ATOM 826 CA LYS A 57 -8.774 3.599 -13.219 1.00 0.00 C ATOM 827 C LYS A 57 -8.451 4.171 -11.843 1.00 0.00 C ATOM 828 O LYS A 57 -7.563 5.012 -11.703 1.00 0.00 O ATOM 829 CB LYS A 57 -8.294 2.151 -13.301 1.00 0.00 C ATOM 830 CG LYS A 57 -8.960 1.339 -14.401 1.00 0.00 C ATOM 831 CD LYS A 57 -9.113 2.129 -15.692 1.00 0.00 C ATOM 832 CE LYS A 57 -7.763 2.442 -16.315 1.00 0.00 C ATOM 833 NZ LYS A 57 -7.582 1.756 -17.624 1.00 0.00 N ATOM 0 H LYS A 57 -7.253 4.017 -14.594 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.854 3.634 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.216 2.145 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.476 1.664 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.371 0.442 -14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.942 1.009 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.718 1.561 -16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.646 3.058 -15.491 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.668 3.519 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.969 2.137 -15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.649 1.996 -18.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.647 0.727 -17.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.324 2.066 -18.284 1.00 0.00 H new ATOM 847 N MET A 58 -9.172 3.707 -10.828 1.00 0.00 N ATOM 848 CA MET A 58 -8.953 4.171 -9.464 1.00 0.00 C ATOM 849 C MET A 58 -8.626 3.001 -8.542 1.00 0.00 C ATOM 850 O MET A 58 -9.503 2.216 -8.181 1.00 0.00 O ATOM 851 CB MET A 58 -10.190 4.910 -8.951 1.00 0.00 C ATOM 852 CG MET A 58 -10.679 6.002 -9.888 1.00 0.00 C ATOM 853 SD MET A 58 -11.243 7.472 -9.010 1.00 0.00 S ATOM 854 CE MET A 58 -9.681 8.173 -8.483 1.00 0.00 C ATOM 0 H MET A 58 -9.912 3.011 -10.924 1.00 0.00 H new ATOM 0 HA MET A 58 -8.106 4.857 -9.469 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.994 4.191 -8.794 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.963 5.351 -7.980 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.874 6.277 -10.569 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.494 5.613 -10.498 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.575 8.057 -7.404 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.863 7.657 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.653 9.232 -8.738 1.00 0.00 H new ATOM 864 N MET A 59 -7.358 2.892 -8.164 1.00 0.00 N ATOM 865 CA MET A 59 -6.909 1.820 -7.283 1.00 0.00 C ATOM 866 C MET A 59 -5.581 2.178 -6.626 1.00 0.00 C ATOM 867 O MET A 59 -4.691 2.738 -7.266 1.00 0.00 O ATOM 868 CB MET A 59 -6.774 0.498 -8.053 1.00 0.00 C ATOM 869 CG MET A 59 -7.092 0.606 -9.537 1.00 0.00 C ATOM 870 SD MET A 59 -6.566 -0.847 -10.468 1.00 0.00 S ATOM 871 CE MET A 59 -4.785 -0.664 -10.400 1.00 0.00 C ATOM 0 H MET A 59 -6.621 3.534 -8.454 1.00 0.00 H new ATOM 0 HA MET A 59 -7.661 1.694 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.756 0.125 -7.937 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.437 -0.241 -7.603 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.165 0.746 -9.665 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.604 1.491 -9.946 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.319 -1.393 -11.063 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.510 0.342 -10.717 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.441 -0.830 -9.379 1.00 0.00 H new ATOM 881 N LEU A 60 -5.453 1.847 -5.346 1.00 0.00 N ATOM 882 CA LEU A 60 -4.229 2.131 -4.604 1.00 0.00 C ATOM 883 C LEU A 60 -3.613 0.848 -4.053 1.00 0.00 C ATOM 884 O LEU A 60 -4.324 -0.035 -3.570 1.00 0.00 O ATOM 885 CB LEU A 60 -4.515 3.104 -3.458 1.00 0.00 C ATOM 886 CG LEU A 60 -4.677 4.568 -3.874 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.091 4.828 -4.370 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.338 5.491 -2.715 1.00 0.00 C ATOM 0 H LEU A 60 -6.180 1.383 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.518 2.588 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.424 2.784 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.704 3.036 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.984 4.773 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.188 5.874 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.298 4.191 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.802 4.606 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.459 6.528 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.006 5.285 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.306 5.323 -2.406 1.00 0.00 H new ATOM 900 N ARG A 61 -2.289 0.750 -4.127 1.00 0.00 N ATOM 901 CA ARG A 61 -1.577 -0.425 -3.637 1.00 0.00 C ATOM 902 C ARG A 61 -0.695 -0.070 -2.443 1.00 0.00 C ATOM 903 O ARG A 61 -0.271 1.075 -2.289 1.00 0.00 O ATOM 904 CB ARG A 61 -0.734 -1.039 -4.755 1.00 0.00 C ATOM 905 CG ARG A 61 -1.466 -2.108 -5.547 1.00 0.00 C ATOM 906 CD ARG A 61 -1.048 -3.505 -5.119 1.00 0.00 C ATOM 907 NE ARG A 61 -0.946 -4.418 -6.255 1.00 0.00 N ATOM 908 CZ ARG A 61 0.090 -4.449 -7.091 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.115 -3.622 -6.920 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.104 -5.311 -8.098 1.00 0.00 N ATOM 0 H ARG A 61 -1.687 1.472 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.315 -1.157 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.415 -0.249 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.168 -1.472 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.541 -1.991 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.264 -1.977 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.087 -3.455 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.771 -3.896 -4.403 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.713 -5.070 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.111 -2.959 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.906 -3.650 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.679 -5.951 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.898 -5.334 -8.738 1.00 0.00 H new ATOM 924 N LEU A 62 -0.435 -1.060 -1.595 1.00 0.00 N ATOM 925 CA LEU A 62 0.385 -0.858 -0.403 1.00 0.00 C ATOM 926 C LEU A 62 1.541 -1.854 -0.355 1.00 0.00 C ATOM 927 O LEU A 62 1.328 -3.052 -0.182 1.00 0.00 O ATOM 928 CB LEU A 62 -0.485 -1.011 0.850 1.00 0.00 C ATOM 929 CG LEU A 62 -0.252 0.005 1.981 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.553 1.208 1.513 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.583 0.460 2.553 1.00 0.00 C ATOM 0 H LEU A 62 -0.781 -2.013 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 62 0.805 0.147 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.530 -0.950 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.328 -2.011 1.253 1.00 0.00 H new ATOM 0 HG LEU A 62 0.328 -0.495 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.693 1.898 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.526 0.876 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.018 1.713 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.408 1.179 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.176 0.928 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.122 -0.400 2.950 1.00 0.00 H new ATOM 943 N ILE A 63 2.763 -1.352 -0.500 1.00 0.00 N ATOM 944 CA ILE A 63 3.947 -2.205 -0.464 1.00 0.00 C ATOM 945 C ILE A 63 4.441 -2.388 0.966 1.00 0.00 C ATOM 946 O ILE A 63 4.528 -1.427 1.728 1.00 0.00 O ATOM 947 CB ILE A 63 5.090 -1.624 -1.322 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.628 -1.449 -2.767 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.315 -2.526 -1.262 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.178 -2.741 -3.410 1.00 0.00 C ATOM 0 H ILE A 63 2.960 -0.361 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 63 3.655 -3.171 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 63 5.363 -0.648 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.807 -0.732 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.443 -1.024 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.111 -2.100 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.655 -2.609 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.057 -3.515 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.863 -2.547 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.004 -3.453 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.343 -3.156 -2.846 1.00 0.00 H new ATOM 962 N GLY A 64 4.765 -3.628 1.321 1.00 0.00 N ATOM 963 CA GLY A 64 5.247 -3.916 2.660 1.00 0.00 C ATOM 964 C GLY A 64 6.750 -4.122 2.709 1.00 0.00 C ATOM 965 O GLY A 64 7.410 -4.154 1.671 1.00 0.00 O ATOM 0 H GLY A 64 4.702 -4.439 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.975 -3.096 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.749 -4.810 3.037 1.00 0.00 H new ATOM 969 N LYS A 65 7.291 -4.260 3.917 1.00 0.00 N ATOM 970 CA LYS A 65 8.725 -4.462 4.090 1.00 0.00 C ATOM 971 C LYS A 65 9.094 -5.935 3.937 1.00 0.00 C ATOM 972 O LYS A 65 8.392 -6.816 4.435 1.00 0.00 O ATOM 973 CB LYS A 65 9.170 -3.953 5.463 1.00 0.00 C ATOM 974 CG LYS A 65 10.400 -3.061 5.413 1.00 0.00 C ATOM 975 CD LYS A 65 10.189 -1.873 4.488 1.00 0.00 C ATOM 976 CE LYS A 65 10.781 -0.600 5.071 1.00 0.00 C ATOM 977 NZ LYS A 65 9.903 0.579 4.838 1.00 0.00 N ATOM 0 H LYS A 65 6.759 -4.236 4.787 1.00 0.00 H new ATOM 0 HA LYS A 65 9.241 -3.897 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.349 -3.400 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.377 -4.807 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.634 -2.705 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.258 -3.641 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.647 -2.078 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.122 -1.732 4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.937 -0.730 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.759 -0.418 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.100 1.306 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.088 0.968 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.907 0.288 4.904 1.00 0.00 H new ATOM 991 N VAL A 66 10.201 -6.194 3.248 1.00 0.00 N ATOM 992 CA VAL A 66 10.668 -7.562 3.032 1.00 0.00 C ATOM 993 C VAL A 66 11.848 -7.888 3.926 1.00 0.00 C ATOM 994 O VAL A 66 12.303 -9.028 4.018 1.00 0.00 O ATOM 995 CB VAL A 66 11.038 -7.783 1.553 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.420 -8.412 1.386 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.980 -8.622 0.856 1.00 0.00 C ATOM 0 H VAL A 66 10.792 -5.476 2.829 1.00 0.00 H new ATOM 0 HA VAL A 66 9.852 -8.236 3.292 1.00 0.00 H new ATOM 0 HB VAL A 66 11.076 -6.800 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.633 -8.547 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.173 -7.759 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.442 -9.380 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.260 -8.767 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.902 -9.591 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.019 -8.111 0.906 1.00 0.00 H new ATOM 1007 N ASP A 67 12.317 -6.863 4.574 1.00 0.00 N ATOM 1008 CA ASP A 67 13.452 -6.961 5.485 1.00 0.00 C ATOM 1009 C ASP A 67 14.711 -7.388 4.735 1.00 0.00 C ATOM 1010 O ASP A 67 14.687 -8.344 3.960 1.00 0.00 O ATOM 1011 CB ASP A 67 13.149 -7.955 6.609 1.00 0.00 C ATOM 1012 CG ASP A 67 12.525 -7.288 7.818 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.699 -6.061 7.975 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.864 -7.993 8.609 1.00 0.00 O ATOM 0 H ASP A 67 11.930 -5.923 4.495 1.00 0.00 H new ATOM 0 HA ASP A 67 13.625 -5.977 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.476 -8.727 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.071 -8.453 6.908 1.00 0.00 H new ATOM 1019 N GLU A 68 15.806 -6.674 4.970 1.00 0.00 N ATOM 1020 CA GLU A 68 17.073 -6.979 4.314 1.00 0.00 C ATOM 1021 C GLU A 68 17.970 -7.816 5.221 1.00 0.00 C ATOM 1022 O GLU A 68 19.196 -7.749 5.130 1.00 0.00 O ATOM 1023 CB GLU A 68 17.790 -5.688 3.918 1.00 0.00 C ATOM 1024 CG GLU A 68 17.241 -5.050 2.652 1.00 0.00 C ATOM 1025 CD GLU A 68 18.122 -5.301 1.445 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.760 -6.374 1.387 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.175 -4.425 0.556 1.00 0.00 O ATOM 0 H GLU A 68 15.842 -5.880 5.610 1.00 0.00 H new ATOM 0 HA GLU A 68 16.857 -7.557 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.713 -4.974 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.850 -5.899 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.242 -5.441 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.139 -3.976 2.806 1.00 0.00 H new ATOM 1034 N SER A 69 17.353 -8.601 6.098 1.00 0.00 N ATOM 1035 CA SER A 69 18.098 -9.450 7.022 1.00 0.00 C ATOM 1036 C SER A 69 17.936 -10.927 6.671 1.00 0.00 C ATOM 1037 O SER A 69 18.739 -11.762 7.085 1.00 0.00 O ATOM 1038 CB SER A 69 17.634 -9.203 8.458 1.00 0.00 C ATOM 1039 OG SER A 69 18.386 -8.166 9.066 1.00 0.00 O ATOM 0 H SER A 69 16.339 -8.667 6.189 1.00 0.00 H new ATOM 0 HA SER A 69 19.154 -9.193 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.576 -8.940 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.736 -10.119 9.039 1.00 0.00 H new ATOM 0 HG SER A 69 18.069 -8.026 9.983 1.00 0.00 H new ATOM 1045 N LYS A 70 16.895 -11.243 5.907 1.00 0.00 N ATOM 1046 CA LYS A 70 16.633 -12.620 5.505 1.00 0.00 C ATOM 1047 C LYS A 70 17.240 -12.916 4.137 1.00 0.00 C ATOM 1048 O LYS A 70 18.289 -13.552 4.038 1.00 0.00 O ATOM 1049 CB LYS A 70 15.127 -12.887 5.478 1.00 0.00 C ATOM 1050 CG LYS A 70 14.553 -13.273 6.833 1.00 0.00 C ATOM 1051 CD LYS A 70 15.247 -14.498 7.403 1.00 0.00 C ATOM 1052 CE LYS A 70 14.437 -15.127 8.525 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.309 -15.719 9.576 1.00 0.00 N ATOM 0 H LYS A 70 16.220 -10.565 5.554 1.00 0.00 H new ATOM 0 HA LYS A 70 17.099 -13.280 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.615 -11.995 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.921 -13.685 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.659 -12.438 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.486 -13.471 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.403 -15.230 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.232 -14.218 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.790 -14.372 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.788 -15.900 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.718 -16.137 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.908 -16.457 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.911 -14.977 9.986 1.00 0.00 H new ATOM 1067 N LYS A 71 16.572 -12.451 3.085 1.00 0.00 N ATOM 1068 CA LYS A 71 17.046 -12.667 1.722 1.00 0.00 C ATOM 1069 C LYS A 71 17.100 -14.156 1.395 1.00 0.00 C ATOM 1070 O LYS A 71 17.276 -14.990 2.282 1.00 0.00 O ATOM 1071 CB LYS A 71 18.431 -12.042 1.534 1.00 0.00 C ATOM 1072 CG LYS A 71 18.448 -10.533 1.721 1.00 0.00 C ATOM 1073 CD LYS A 71 19.250 -9.843 0.630 1.00 0.00 C ATOM 1074 CE LYS A 71 20.713 -10.254 0.670 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.374 -10.088 -0.654 1.00 0.00 N ATOM 0 H LYS A 71 15.702 -11.923 3.150 1.00 0.00 H new ATOM 0 HA LYS A 71 16.344 -12.188 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 71 19.124 -12.495 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 71 18.795 -12.280 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.426 -10.154 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.874 -10.291 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.828 -10.090 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.171 -8.762 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.238 -9.656 1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.789 -11.295 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.339 -10.473 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.830 -10.597 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.415 -9.078 -0.897 1.00 0.00 H new ATOM 1089 N ARG A 72 16.945 -14.483 0.115 1.00 0.00 N ATOM 1090 CA ARG A 72 16.976 -15.873 -0.326 1.00 0.00 C ATOM 1091 C ARG A 72 16.892 -15.965 -1.845 1.00 0.00 C ATOM 1092 O ARG A 72 16.626 -14.973 -2.525 1.00 0.00 O ATOM 1093 CB ARG A 72 15.826 -16.657 0.309 1.00 0.00 C ATOM 1094 CG ARG A 72 14.456 -16.056 0.035 1.00 0.00 C ATOM 1095 CD ARG A 72 13.710 -16.831 -1.041 1.00 0.00 C ATOM 1096 NE ARG A 72 12.323 -17.095 -0.663 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.337 -16.210 -0.796 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.578 -15.004 -1.294 1.00 0.00 N ATOM 1099 NH2 ARG A 72 10.104 -16.533 -0.429 1.00 0.00 N ATOM 0 H ARG A 72 16.797 -13.806 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 72 17.923 -16.308 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.846 -17.681 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.983 -16.707 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.870 -16.052 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.569 -15.017 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.731 -16.268 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.221 -17.776 -1.228 1.00 0.00 H new ATOM 0 HE ARG A 72 12.097 -18.011 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.524 -14.749 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.817 -14.332 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.912 -17.458 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.348 -15.856 -0.530 1.00 0.00 H new ATOM 1113 N LYS A 73 17.120 -17.164 -2.374 1.00 0.00 N ATOM 1114 CA LYS A 73 17.070 -17.386 -3.814 1.00 0.00 C ATOM 1115 C LYS A 73 15.641 -17.650 -4.275 1.00 0.00 C ATOM 1116 O LYS A 73 14.698 -17.561 -3.489 1.00 0.00 O ATOM 1117 CB LYS A 73 17.968 -18.564 -4.200 1.00 0.00 C ATOM 1118 CG LYS A 73 19.330 -18.538 -3.524 1.00 0.00 C ATOM 1119 CD LYS A 73 20.452 -18.807 -4.513 1.00 0.00 C ATOM 1120 CE LYS A 73 20.780 -20.289 -4.594 1.00 0.00 C ATOM 1121 NZ LYS A 73 21.686 -20.719 -3.494 1.00 0.00 N ATOM 0 H LYS A 73 17.341 -17.996 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 73 17.431 -16.484 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.462 -19.495 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.108 -18.564 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.484 -17.567 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 73 19.357 -19.285 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 73 20.164 -18.443 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 73 21.342 -18.252 -4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.857 -20.868 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.248 -20.505 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.885 -21.736 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.577 -20.185 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.230 -20.537 -2.577 1.00 0.00 H new ATOM 1135 N ASP A 74 15.486 -17.976 -5.555 1.00 0.00 N ATOM 1136 CA ASP A 74 14.169 -18.252 -6.118 1.00 0.00 C ATOM 1137 C ASP A 74 13.891 -19.753 -6.158 1.00 0.00 C ATOM 1138 O ASP A 74 13.072 -20.219 -6.949 1.00 0.00 O ATOM 1139 CB ASP A 74 14.061 -17.665 -7.527 1.00 0.00 C ATOM 1140 CG ASP A 74 12.622 -17.480 -7.967 1.00 0.00 C ATOM 1141 OD1 ASP A 74 12.015 -18.463 -8.439 1.00 0.00 O ATOM 1142 OD2 ASP A 74 12.104 -16.351 -7.841 1.00 0.00 O ATOM 0 H ASP A 74 16.255 -18.055 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 74 13.424 -17.782 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.574 -16.704 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.572 -18.321 -8.231 1.00 0.00 H new ATOM 1147 N ASN A 75 14.578 -20.503 -5.297 1.00 0.00 N ATOM 1148 CA ASN A 75 14.409 -21.954 -5.224 1.00 0.00 C ATOM 1149 C ASN A 75 15.008 -22.663 -6.440 1.00 0.00 C ATOM 1150 O ASN A 75 14.956 -23.890 -6.535 1.00 0.00 O ATOM 1151 CB ASN A 75 12.928 -22.308 -5.099 1.00 0.00 C ATOM 1152 CG ASN A 75 12.237 -21.531 -3.997 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.703 -20.446 -4.226 1.00 0.00 O ATOM 1154 ND2 ASN A 75 12.244 -22.084 -2.789 1.00 0.00 N ATOM 0 H ASN A 75 15.260 -20.128 -4.638 1.00 0.00 H new ATOM 0 HA ASN A 75 14.945 -22.298 -4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.429 -22.109 -6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.828 -23.376 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.795 -21.607 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.698 -22.985 -2.643 1.00 0.00 H new ATOM 1161 N GLU A 76 15.575 -21.896 -7.367 1.00 0.00 N ATOM 1162 CA GLU A 76 16.176 -22.467 -8.567 1.00 0.00 C ATOM 1163 C GLU A 76 17.690 -22.325 -8.529 1.00 0.00 C ATOM 1164 O GLU A 76 18.424 -23.182 -9.022 1.00 0.00 O ATOM 1165 CB GLU A 76 15.624 -21.781 -9.819 1.00 0.00 C ATOM 1166 CG GLU A 76 14.217 -21.232 -9.649 1.00 0.00 C ATOM 1167 CD GLU A 76 13.672 -20.620 -10.924 1.00 0.00 C ATOM 1168 OE1 GLU A 76 14.478 -20.111 -11.731 1.00 0.00 O ATOM 1169 OE2 GLU A 76 12.438 -20.648 -11.116 1.00 0.00 O ATOM 0 H GLU A 76 15.631 -20.879 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 76 15.923 -23.527 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.291 -20.965 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.629 -22.493 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.555 -22.034 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.217 -20.479 -8.860 1.00 0.00 H new ATOM 1176 N GLY A 77 18.144 -21.233 -7.936 1.00 0.00 N ATOM 1177 CA GLY A 77 19.569 -20.976 -7.832 1.00 0.00 C ATOM 1178 C GLY A 77 19.927 -19.543 -8.172 1.00 0.00 C ATOM 1179 O GLY A 77 20.940 -19.288 -8.823 1.00 0.00 O ATOM 0 H GLY A 77 17.550 -20.515 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.902 -21.200 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.106 -21.649 -8.500 1.00 0.00 H new ATOM 1183 N ASN A 78 19.096 -18.605 -7.730 1.00 0.00 N ATOM 1184 CA ASN A 78 19.332 -17.189 -7.991 1.00 0.00 C ATOM 1185 C ASN A 78 19.008 -16.348 -6.761 1.00 0.00 C ATOM 1186 O ASN A 78 17.843 -16.064 -6.479 1.00 0.00 O ATOM 1187 CB ASN A 78 18.488 -16.722 -9.179 1.00 0.00 C ATOM 1188 CG ASN A 78 19.222 -15.721 -10.050 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.686 -14.686 -9.570 1.00 0.00 O ATOM 1190 ND2 ASN A 78 19.331 -16.024 -11.338 1.00 0.00 N ATOM 0 H ASN A 78 18.253 -18.799 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 78 20.388 -17.059 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 18.204 -17.585 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.565 -16.273 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.814 -15.388 -11.972 1.00 0.00 H new ATOM 0 HD22 ASN A 78 18.931 -16.893 -11.693 1.00 0.00 H new ATOM 1197 N GLU A 79 20.046 -15.954 -6.030 1.00 0.00 N ATOM 1198 CA GLU A 79 19.873 -15.144 -4.829 1.00 0.00 C ATOM 1199 C GLU A 79 19.182 -13.825 -5.157 1.00 0.00 C ATOM 1200 O GLU A 79 19.775 -12.939 -5.773 1.00 0.00 O ATOM 1201 CB GLU A 79 21.228 -14.875 -4.172 1.00 0.00 C ATOM 1202 CG GLU A 79 21.128 -14.518 -2.698 1.00 0.00 C ATOM 1203 CD GLU A 79 20.840 -13.046 -2.474 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.507 -12.206 -3.113 1.00 0.00 O ATOM 1205 OE2 GLU A 79 19.948 -12.733 -1.657 1.00 0.00 O ATOM 0 H GLU A 79 21.016 -16.182 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 79 19.243 -15.699 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.858 -15.758 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.724 -14.062 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.340 -15.113 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.061 -14.782 -2.200 1.00 0.00 H new ATOM 1212 N VAL A 80 17.927 -13.699 -4.739 1.00 0.00 N ATOM 1213 CA VAL A 80 17.157 -12.486 -4.987 1.00 0.00 C ATOM 1214 C VAL A 80 16.543 -11.951 -3.698 1.00 0.00 C ATOM 1215 O VAL A 80 16.777 -12.489 -2.616 1.00 0.00 O ATOM 1216 CB VAL A 80 16.036 -12.731 -6.019 1.00 0.00 C ATOM 1217 CG1 VAL A 80 16.610 -13.299 -7.308 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.969 -13.660 -5.449 1.00 0.00 C ATOM 0 H VAL A 80 17.422 -14.422 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 80 17.851 -11.747 -5.388 1.00 0.00 H new ATOM 0 HB VAL A 80 15.566 -11.774 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.804 -13.465 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.328 -12.595 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.109 -14.245 -7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.189 -13.818 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.421 -14.617 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.533 -13.210 -4.557 1.00 0.00 H new ATOM 1228 N VAL A 81 15.752 -10.892 -3.823 1.00 0.00 N ATOM 1229 CA VAL A 81 15.097 -10.287 -2.672 1.00 0.00 C ATOM 1230 C VAL A 81 13.611 -10.640 -2.648 1.00 0.00 C ATOM 1231 O VAL A 81 12.862 -10.257 -3.547 1.00 0.00 O ATOM 1232 CB VAL A 81 15.251 -8.753 -2.677 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.652 -8.149 -1.415 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.715 -8.365 -2.815 1.00 0.00 C ATOM 0 H VAL A 81 15.549 -10.435 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 81 15.582 -10.686 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 81 14.708 -8.356 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.771 -7.066 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.592 -8.397 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.164 -8.552 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.805 -7.279 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.280 -8.775 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.110 -8.763 -3.749 1.00 0.00 H new ATOM 1244 N PRO A 82 13.158 -11.382 -1.619 1.00 0.00 N ATOM 1245 CA PRO A 82 11.756 -11.782 -1.493 1.00 0.00 C ATOM 1246 C PRO A 82 10.791 -10.640 -1.789 1.00 0.00 C ATOM 1247 O PRO A 82 11.071 -9.481 -1.481 1.00 0.00 O ATOM 1248 CB PRO A 82 11.649 -12.208 -0.030 1.00 0.00 C ATOM 1249 CG PRO A 82 13.008 -12.708 0.313 1.00 0.00 C ATOM 1250 CD PRO A 82 13.977 -11.887 -0.498 1.00 0.00 C ATOM 0 HA PRO A 82 11.488 -12.563 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.361 -11.371 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.895 -12.984 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.204 -12.600 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.104 -13.768 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.399 -11.071 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.813 -12.490 -0.853 1.00 0.00 H new ATOM 1258 N LYS A 83 9.656 -10.975 -2.389 1.00 0.00 N ATOM 1259 CA LYS A 83 8.647 -9.978 -2.729 1.00 0.00 C ATOM 1260 C LYS A 83 8.043 -9.367 -1.464 1.00 0.00 C ATOM 1261 O LYS A 83 7.747 -10.078 -0.504 1.00 0.00 O ATOM 1262 CB LYS A 83 7.544 -10.609 -3.581 1.00 0.00 C ATOM 1263 CG LYS A 83 7.846 -10.601 -5.070 1.00 0.00 C ATOM 1264 CD LYS A 83 8.507 -11.898 -5.511 1.00 0.00 C ATOM 1265 CE LYS A 83 8.458 -12.062 -7.022 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.242 -13.481 -7.420 1.00 0.00 N ATOM 0 H LYS A 83 9.410 -11.930 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 83 9.130 -9.186 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.389 -11.638 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.610 -10.075 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.922 -10.454 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.498 -9.760 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.544 -11.911 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.007 -12.742 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.657 -11.445 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.390 -11.701 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.215 -13.550 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.020 -14.066 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.340 -13.818 -7.027 1.00 0.00 H new ATOM 1280 N PRO A 84 7.854 -8.035 -1.444 1.00 0.00 N ATOM 1281 CA PRO A 84 7.285 -7.335 -0.288 1.00 0.00 C ATOM 1282 C PRO A 84 5.785 -7.561 -0.151 1.00 0.00 C ATOM 1283 O PRO A 84 5.029 -7.359 -1.101 1.00 0.00 O ATOM 1284 CB PRO A 84 7.576 -5.869 -0.591 1.00 0.00 C ATOM 1285 CG PRO A 84 7.596 -5.799 -2.073 1.00 0.00 C ATOM 1286 CD PRO A 84 8.180 -7.105 -2.541 1.00 0.00 C ATOM 0 HA PRO A 84 7.710 -7.687 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.810 -5.216 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.529 -5.556 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.591 -5.656 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.197 -4.957 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.740 -7.427 -3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.256 -7.031 -2.699 1.00 0.00 H new ATOM 1294 N GLN A 85 5.356 -7.974 1.037 1.00 0.00 N ATOM 1295 CA GLN A 85 3.941 -8.216 1.293 1.00 0.00 C ATOM 1296 C GLN A 85 3.131 -6.953 1.031 1.00 0.00 C ATOM 1297 O GLN A 85 3.300 -5.945 1.716 1.00 0.00 O ATOM 1298 CB GLN A 85 3.730 -8.685 2.735 1.00 0.00 C ATOM 1299 CG GLN A 85 4.634 -9.837 3.140 1.00 0.00 C ATOM 1300 CD GLN A 85 3.907 -11.167 3.167 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.740 -11.242 3.549 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.597 -12.226 2.760 1.00 0.00 N ATOM 0 H GLN A 85 5.966 -8.148 1.836 1.00 0.00 H new ATOM 0 HA GLN A 85 3.599 -9.000 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.901 -7.846 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.691 -8.989 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.471 -9.899 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.053 -9.636 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.563 -12.117 2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.161 -13.148 2.756 1.00 0.00 H new ATOM 1311 N ARG A 86 2.262 -7.008 0.029 1.00 0.00 N ATOM 1312 CA ARG A 86 1.441 -5.857 -0.325 1.00 0.00 C ATOM 1313 C ARG A 86 -0.033 -6.228 -0.423 1.00 0.00 C ATOM 1314 O ARG A 86 -0.386 -7.397 -0.575 1.00 0.00 O ATOM 1315 CB ARG A 86 1.915 -5.263 -1.653 1.00 0.00 C ATOM 1316 CG ARG A 86 1.930 -6.264 -2.797 1.00 0.00 C ATOM 1317 CD ARG A 86 3.023 -5.944 -3.803 1.00 0.00 C ATOM 1318 NE ARG A 86 3.402 -7.115 -4.590 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.633 -7.655 -5.533 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.445 -7.133 -5.809 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.054 -8.720 -6.201 1.00 0.00 N ATOM 0 H ARG A 86 2.108 -7.833 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 86 1.550 -5.116 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.267 -4.428 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.919 -4.858 -1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.081 -7.268 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.962 -6.261 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.681 -5.153 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.898 -5.561 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 86 4.309 -7.544 -4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.117 -6.314 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.860 -7.551 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.967 -9.125 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.465 -9.134 -6.924 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.890 -5.215 -0.340 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.332 -5.414 -0.425 1.00 0.00 C ATOM 1337 C HIS A 87 -2.924 -4.534 -1.521 1.00 0.00 C ATOM 1338 O HIS A 87 -2.671 -3.330 -1.566 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.999 -5.095 0.917 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.189 -5.512 2.106 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.208 -6.792 2.620 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.328 -4.811 2.882 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.397 -6.859 3.660 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.851 -5.671 3.840 1.00 0.00 N ATOM 0 H HIS A 87 -0.608 -4.243 -0.213 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.520 -6.460 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.186 -4.023 0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.969 -5.590 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.066 -3.770 2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.212 -7.737 4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.183 -5.431 4.572 1.00 0.00 H new ATOM 1353 N MET A 88 -3.702 -5.141 -2.408 1.00 0.00 N ATOM 1354 CA MET A 88 -4.317 -4.407 -3.508 1.00 0.00 C ATOM 1355 C MET A 88 -5.654 -3.803 -3.092 1.00 0.00 C ATOM 1356 O MET A 88 -6.635 -4.519 -2.891 1.00 0.00 O ATOM 1357 CB MET A 88 -4.514 -5.327 -4.714 1.00 0.00 C ATOM 1358 CG MET A 88 -5.114 -4.625 -5.922 1.00 0.00 C ATOM 1359 SD MET A 88 -4.178 -4.917 -7.436 1.00 0.00 S ATOM 1360 CE MET A 88 -3.812 -3.236 -7.937 1.00 0.00 C ATOM 0 H MET A 88 -3.922 -6.137 -2.388 1.00 0.00 H new ATOM 0 HA MET A 88 -3.646 -3.593 -3.782 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.552 -5.756 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.161 -6.156 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.140 -4.966 -6.063 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.159 -3.553 -5.729 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.241 -3.048 -8.921 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.240 -2.540 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.732 -3.096 -7.979 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.688 -2.479 -2.979 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.906 -1.773 -2.603 1.00 0.00 C ATOM 1372 C PHE A 89 -7.425 -0.955 -3.780 1.00 0.00 C ATOM 1373 O PHE A 89 -6.671 -0.214 -4.408 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.646 -0.858 -1.404 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.217 -1.594 -0.167 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -7.041 -2.548 0.408 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.991 -1.330 0.422 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.650 -3.226 1.548 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.594 -2.004 1.560 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.425 -2.954 2.124 1.00 0.00 C ATOM 0 H PHE A 89 -4.884 -1.873 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.660 -2.509 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.876 -0.134 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.553 -0.294 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.000 -2.765 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.338 -0.588 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.302 -3.967 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.635 -1.789 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.116 -3.483 3.014 1.00 0.00 H new ATOM 1390 N SER A 90 -8.710 -1.095 -4.076 1.00 0.00 N ATOM 1391 CA SER A 90 -9.316 -0.366 -5.185 1.00 0.00 C ATOM 1392 C SER A 90 -10.243 0.730 -4.673 1.00 0.00 C ATOM 1393 O SER A 90 -11.075 0.497 -3.797 1.00 0.00 O ATOM 1394 CB SER A 90 -10.083 -1.327 -6.095 1.00 0.00 C ATOM 1395 OG SER A 90 -11.066 -0.641 -6.855 1.00 0.00 O ATOM 0 H SER A 90 -9.351 -1.703 -3.567 1.00 0.00 H new ATOM 0 HA SER A 90 -8.518 0.104 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.387 -1.830 -6.766 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.560 -2.100 -5.492 1.00 0.00 H new ATOM 0 HG SER A 90 -11.540 -1.279 -7.429 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.089 1.928 -5.225 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.908 3.065 -4.827 1.00 0.00 C ATOM 1403 C PHE A 91 -12.002 3.334 -5.856 1.00 0.00 C ATOM 1404 O PHE A 91 -11.817 3.093 -7.049 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.036 4.308 -4.653 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.219 4.294 -3.392 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.391 3.222 -3.097 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.283 5.352 -2.501 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.641 3.207 -1.936 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.538 5.343 -1.339 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.715 4.270 -1.055 1.00 0.00 C ATOM 0 H PHE A 91 -9.403 2.136 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.383 2.826 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.367 4.396 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.673 5.192 -4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.331 2.389 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.923 6.194 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.999 2.367 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.598 6.174 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.131 4.262 -0.147 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.141 3.833 -5.387 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.264 4.133 -6.267 1.00 0.00 C ATOM 1423 C ASN A 92 -14.472 5.638 -6.406 1.00 0.00 C ATOM 1424 O ASN A 92 -15.079 6.104 -7.371 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.542 3.478 -5.739 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.672 2.032 -6.175 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.867 1.181 -5.797 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.692 1.745 -6.977 1.00 0.00 N ATOM 0 H ASN A 92 -13.310 4.038 -4.402 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.033 3.728 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.550 3.529 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.407 4.040 -6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.831 0.789 -7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.336 2.481 -7.266 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.966 6.394 -5.439 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.097 7.847 -5.455 1.00 0.00 C ATOM 1437 C ASN A 93 -12.734 8.515 -5.609 1.00 0.00 C ATOM 1438 O ASN A 93 -11.707 7.945 -5.243 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.777 8.333 -4.173 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.831 9.389 -4.442 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.911 9.089 -4.949 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.520 10.635 -4.104 1.00 0.00 N ATOM 0 H ASN A 93 -13.461 6.025 -4.633 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.714 8.122 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.237 7.485 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.024 8.739 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.189 11.389 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.612 10.839 -3.686 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.735 9.727 -6.155 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.499 10.474 -6.358 1.00 0.00 C ATOM 1451 C ARG A 94 -11.060 11.161 -5.069 1.00 0.00 C ATOM 1452 O ARG A 94 -9.876 11.168 -4.730 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.682 11.512 -7.466 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.732 12.564 -7.146 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.977 13.485 -8.330 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.301 14.100 -8.281 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.653 15.035 -7.402 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.783 15.467 -6.498 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -15.878 15.541 -7.426 1.00 0.00 N ATOM 0 H ARG A 94 -13.577 10.212 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.723 9.769 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.728 12.007 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.960 11.002 -8.388 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.665 12.075 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.409 13.152 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.216 14.265 -8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.874 12.920 -9.256 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.997 13.795 -8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.839 15.082 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.059 16.184 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.552 15.214 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.147 16.258 -6.752 1.00 0.00 H new ATOM 1473 N THR A 95 -12.021 11.738 -4.355 1.00 0.00 N ATOM 1474 CA THR A 95 -11.750 12.424 -3.114 1.00 0.00 C ATOM 1475 C THR A 95 -11.150 11.477 -2.078 1.00 0.00 C ATOM 1476 O THR A 95 -10.111 11.768 -1.486 1.00 0.00 O ATOM 1477 CB THR A 95 -13.043 13.023 -2.598 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.995 13.144 -3.641 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.866 14.386 -1.985 1.00 0.00 C ATOM 0 H THR A 95 -13.004 11.739 -4.626 1.00 0.00 H new ATOM 0 HA THR A 95 -11.020 13.213 -3.294 1.00 0.00 H new ATOM 0 HB THR A 95 -13.388 12.335 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.822 13.531 -3.286 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.830 14.756 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.177 14.320 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.463 15.071 -2.731 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.812 10.344 -1.867 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.343 9.355 -0.903 1.00 0.00 C ATOM 1489 C VAL A 96 -9.936 8.876 -1.253 1.00 0.00 C ATOM 1490 O VAL A 96 -9.154 8.520 -0.371 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.292 8.141 -0.836 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.370 7.442 -2.185 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.848 7.173 0.251 1.00 0.00 C ATOM 0 H VAL A 96 -12.673 10.088 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.325 9.842 0.072 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.290 8.501 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.045 6.589 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.744 8.139 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.377 7.096 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.530 6.323 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.839 6.821 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.856 7.681 1.216 1.00 0.00 H new ATOM 1503 N MET A 97 -9.620 8.876 -2.544 1.00 0.00 N ATOM 1504 CA MET A 97 -8.307 8.447 -3.009 1.00 0.00 C ATOM 1505 C MET A 97 -7.247 9.477 -2.644 1.00 0.00 C ATOM 1506 O MET A 97 -6.116 9.131 -2.301 1.00 0.00 O ATOM 1507 CB MET A 97 -8.331 8.219 -4.524 1.00 0.00 C ATOM 1508 CG MET A 97 -6.950 8.070 -5.145 1.00 0.00 C ATOM 1509 SD MET A 97 -7.017 7.541 -6.867 1.00 0.00 S ATOM 1510 CE MET A 97 -6.789 9.104 -7.712 1.00 0.00 C ATOM 0 H MET A 97 -10.256 9.168 -3.286 1.00 0.00 H new ATOM 0 HA MET A 97 -8.055 7.507 -2.518 1.00 0.00 H new ATOM 0 HB2 MET A 97 -8.914 7.323 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.845 9.054 -5.000 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.423 9.022 -5.082 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.373 7.347 -4.569 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.807 8.941 -8.790 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.591 9.788 -7.435 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.830 9.536 -7.426 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.627 10.741 -2.720 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.722 11.837 -2.399 1.00 0.00 C ATOM 1522 C ASP A 98 -6.417 11.871 -0.905 1.00 0.00 C ATOM 1523 O ASP A 98 -5.343 12.309 -0.492 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.329 13.171 -2.837 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.941 13.545 -4.255 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.731 13.716 -4.513 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.846 13.667 -5.105 1.00 0.00 O ATOM 0 H ASP A 98 -8.561 11.037 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.789 11.675 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.415 13.115 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.004 13.957 -2.155 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.367 11.406 -0.099 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.198 11.384 1.349 1.00 0.00 C ATOM 1534 C ASN A 99 -6.245 10.272 1.772 1.00 0.00 C ATOM 1535 O ASN A 99 -5.259 10.515 2.465 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.552 11.201 2.038 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.352 12.488 2.092 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.868 13.515 2.568 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.586 12.438 1.603 1.00 0.00 N ATOM 0 H ASN A 99 -8.261 11.040 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.768 12.339 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.127 10.441 1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.394 10.832 3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.173 13.272 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.947 11.565 1.218 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.547 9.048 1.353 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.717 7.898 1.690 1.00 0.00 C ATOM 1548 C ILE A 100 -4.299 8.062 1.150 1.00 0.00 C ATOM 1549 O ILE A 100 -3.323 7.895 1.879 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.321 6.591 1.133 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.750 6.405 1.649 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.456 5.392 1.505 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.827 6.164 3.139 1.00 0.00 C ATOM 0 H ILE A 100 -7.361 8.827 0.779 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.681 7.841 2.778 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.350 6.662 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.335 7.291 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.209 5.564 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.902 4.483 1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.457 5.521 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.390 5.313 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.869 6.041 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.270 5.262 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.398 7.015 3.668 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.194 8.380 -0.136 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.897 8.554 -0.785 1.00 0.00 C ATOM 1567 C LYS A 101 -1.996 9.514 -0.009 1.00 0.00 C ATOM 1568 O LYS A 101 -0.812 9.239 0.190 1.00 0.00 O ATOM 1569 CB LYS A 101 -3.089 9.067 -2.213 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.849 8.927 -3.080 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.021 9.633 -4.416 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.395 11.018 -4.398 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.020 10.995 -4.862 1.00 0.00 N ATOM 0 H LYS A 101 -4.994 8.523 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.408 7.580 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.911 8.523 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.381 10.117 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.988 9.342 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.640 7.871 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.564 9.036 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.082 9.715 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.975 11.687 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.439 11.423 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.410 11.959 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.579 10.377 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.060 10.633 -5.836 1.00 0.00 H new ATOM 1587 N MET A 102 -2.553 10.645 0.413 1.00 0.00 N ATOM 1588 CA MET A 102 -1.784 11.644 1.151 1.00 0.00 C ATOM 1589 C MET A 102 -1.703 11.315 2.635 1.00 0.00 C ATOM 1590 O MET A 102 -0.679 11.539 3.278 1.00 0.00 O ATOM 1591 CB MET A 102 -2.396 13.032 0.959 1.00 0.00 C ATOM 1592 CG MET A 102 -3.781 13.180 1.568 1.00 0.00 C ATOM 1593 SD MET A 102 -3.729 13.674 3.301 1.00 0.00 S ATOM 1594 CE MET A 102 -4.406 15.329 3.201 1.00 0.00 C ATOM 0 H MET A 102 -3.530 10.893 0.258 1.00 0.00 H new ATOM 0 HA MET A 102 -0.770 11.635 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.733 13.776 1.401 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.453 13.250 -0.108 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.346 13.919 1.000 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.315 12.234 1.480 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.439 15.770 4.197 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.777 15.941 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.415 15.285 2.790 1.00 0.00 H new ATOM 1604 N THR A 103 -2.793 10.798 3.171 1.00 0.00 N ATOM 1605 CA THR A 103 -2.857 10.449 4.588 1.00 0.00 C ATOM 1606 C THR A 103 -1.943 9.276 4.918 1.00 0.00 C ATOM 1607 O THR A 103 -1.180 9.331 5.882 1.00 0.00 O ATOM 1608 CB THR A 103 -4.297 10.130 4.996 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.134 11.256 4.804 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.432 9.702 6.442 1.00 0.00 C ATOM 0 H THR A 103 -3.649 10.608 2.651 1.00 0.00 H new ATOM 0 HA THR A 103 -2.510 11.312 5.156 1.00 0.00 H new ATOM 0 HB THR A 103 -4.598 9.299 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.058 10.958 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.478 9.492 6.663 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.837 8.805 6.613 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.077 10.501 7.093 1.00 0.00 H new ATOM 1618 N LEU A 104 -2.012 8.215 4.123 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.170 7.052 4.361 1.00 0.00 C ATOM 1620 C LEU A 104 0.296 7.451 4.282 1.00 0.00 C ATOM 1621 O LEU A 104 1.053 7.249 5.231 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.477 5.939 3.355 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.513 4.914 3.823 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.780 5.611 4.294 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.828 3.927 2.709 1.00 0.00 C ATOM 0 H LEU A 104 -2.634 8.137 3.318 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.381 6.669 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.830 6.393 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.550 5.416 3.120 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.094 4.361 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.504 4.866 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.542 6.277 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.203 6.191 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.566 3.206 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.226 4.465 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.917 3.402 2.419 1.00 0.00 H new ATOM 1637 N GLN A 105 0.683 8.044 3.155 1.00 0.00 N ATOM 1638 CA GLN A 105 2.056 8.495 2.963 1.00 0.00 C ATOM 1639 C GLN A 105 2.487 9.393 4.116 1.00 0.00 C ATOM 1640 O GLN A 105 3.666 9.453 4.463 1.00 0.00 O ATOM 1641 CB GLN A 105 2.196 9.239 1.633 1.00 0.00 C ATOM 1642 CG GLN A 105 1.451 10.563 1.592 1.00 0.00 C ATOM 1643 CD GLN A 105 1.668 11.316 0.294 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.221 12.414 0.285 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.230 10.725 -0.812 1.00 0.00 N ATOM 0 H GLN A 105 0.065 8.222 2.363 1.00 0.00 H new ATOM 0 HA GLN A 105 2.705 7.619 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.253 9.421 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.829 8.601 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.385 10.380 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.776 11.184 2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.777 9.813 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.347 11.183 -1.716 1.00 0.00 H new ATOM 1654 N GLN A 106 1.519 10.079 4.719 1.00 0.00 N ATOM 1655 CA GLN A 106 1.804 10.957 5.846 1.00 0.00 C ATOM 1656 C GLN A 106 2.375 10.143 6.998 1.00 0.00 C ATOM 1657 O GLN A 106 3.222 10.616 7.755 1.00 0.00 O ATOM 1658 CB GLN A 106 0.540 11.702 6.289 1.00 0.00 C ATOM 1659 CG GLN A 106 0.597 13.203 6.046 1.00 0.00 C ATOM 1660 CD GLN A 106 1.882 13.831 6.550 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.999 14.173 7.728 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.853 13.987 5.659 1.00 0.00 N ATOM 0 H GLN A 106 0.537 10.043 4.447 1.00 0.00 H new ATOM 0 HA GLN A 106 2.539 11.699 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.319 11.290 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.376 11.521 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.497 13.398 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.252 13.679 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.712 13.689 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.740 14.405 5.939 1.00 0.00 H new ATOM 1671 N ILE A 107 1.917 8.902 7.099 1.00 0.00 N ATOM 1672 CA ILE A 107 2.387 7.987 8.129 1.00 0.00 C ATOM 1673 C ILE A 107 3.663 7.299 7.656 1.00 0.00 C ATOM 1674 O ILE A 107 4.588 7.063 8.433 1.00 0.00 O ATOM 1675 CB ILE A 107 1.319 6.925 8.463 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.073 7.590 9.057 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.878 5.884 9.419 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.174 7.387 8.223 1.00 0.00 C ATOM 0 H ILE A 107 1.215 8.504 6.475 1.00 0.00 H new ATOM 0 HA ILE A 107 2.588 8.563 9.032 1.00 0.00 H new ATOM 0 HB ILE A 107 1.034 6.420 7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.100 7.193 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.258 8.659 9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.109 5.144 9.642 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.734 5.390 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.192 6.370 10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.017 7.884 8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.020 7.810 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.383 6.321 8.135 1.00 0.00 H new ATOM 1690 N ILE A 108 3.697 6.994 6.366 1.00 0.00 N ATOM 1691 CA ILE A 108 4.848 6.348 5.748 1.00 0.00 C ATOM 1692 C ILE A 108 6.097 7.197 5.930 1.00 0.00 C ATOM 1693 O ILE A 108 7.076 6.769 6.540 1.00 0.00 O ATOM 1694 CB ILE A 108 4.615 6.138 4.240 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.273 5.448 4.005 1.00 0.00 C ATOM 1696 CG2 ILE A 108 5.750 5.340 3.624 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.066 4.977 2.579 1.00 0.00 C ATOM 0 H ILE A 108 2.931 7.186 5.720 1.00 0.00 H new ATOM 0 HA ILE A 108 4.982 5.382 6.234 1.00 0.00 H new ATOM 0 HB ILE A 108 4.592 7.113 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.193 4.592 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.470 6.136 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.563 5.204 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.689 5.876 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.814 4.365 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.091 4.498 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.112 5.831 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.846 4.263 2.315 1.00 0.00 H new ATOM 1709 N SER A 109 6.044 8.409 5.391 1.00 0.00 N ATOM 1710 CA SER A 109 7.163 9.342 5.481 1.00 0.00 C ATOM 1711 C SER A 109 7.565 9.589 6.932 1.00 0.00 C ATOM 1712 O SER A 109 8.695 9.987 7.213 1.00 0.00 O ATOM 1713 CB SER A 109 6.804 10.667 4.807 1.00 0.00 C ATOM 1714 OG SER A 109 7.966 11.342 4.357 1.00 0.00 O ATOM 0 H SER A 109 5.236 8.771 4.885 1.00 0.00 H new ATOM 0 HA SER A 109 8.012 8.894 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.138 10.481 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.261 11.300 5.509 1.00 0.00 H new ATOM 0 HG SER A 109 8.684 11.231 5.015 1.00 0.00 H new ATOM 1720 N ARG A 110 6.634 9.350 7.850 1.00 0.00 N ATOM 1721 CA ARG A 110 6.892 9.544 9.273 1.00 0.00 C ATOM 1722 C ARG A 110 8.108 8.735 9.714 1.00 0.00 C ATOM 1723 O ARG A 110 9.014 9.255 10.367 1.00 0.00 O ATOM 1724 CB ARG A 110 5.650 9.154 10.089 1.00 0.00 C ATOM 1725 CG ARG A 110 5.816 7.904 10.945 1.00 0.00 C ATOM 1726 CD ARG A 110 4.564 7.615 11.759 1.00 0.00 C ATOM 1727 NE ARG A 110 4.051 8.813 12.418 1.00 0.00 N ATOM 1728 CZ ARG A 110 4.564 9.323 13.535 1.00 0.00 C ATOM 1729 NH1 ARG A 110 5.604 8.744 14.120 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.036 10.417 14.067 1.00 0.00 N ATOM 0 H ARG A 110 5.693 9.021 7.634 1.00 0.00 H new ATOM 0 HA ARG A 110 7.108 10.597 9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.381 9.988 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.816 9.001 9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.040 7.051 10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.666 8.031 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.795 7.203 11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.786 6.856 12.509 1.00 0.00 H new ATOM 0 HE ARG A 110 3.252 9.287 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.015 7.903 13.714 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.993 9.139 14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.237 10.867 13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.429 10.808 14.923 1.00 0.00 H new ATOM 1744 N TYR A 111 8.119 7.461 9.344 1.00 0.00 N ATOM 1745 CA TYR A 111 9.221 6.573 9.690 1.00 0.00 C ATOM 1746 C TYR A 111 10.458 6.909 8.865 1.00 0.00 C ATOM 1747 O TYR A 111 11.586 6.661 9.288 1.00 0.00 O ATOM 1748 CB TYR A 111 8.832 5.109 9.461 1.00 0.00 C ATOM 1749 CG TYR A 111 7.382 4.801 9.762 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.944 4.636 11.070 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.453 4.671 8.737 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.621 4.351 11.348 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.128 4.385 9.007 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.717 4.226 10.314 1.00 0.00 C ATOM 1755 OH TYR A 111 3.400 3.939 10.587 1.00 0.00 O ATOM 0 H TYR A 111 7.376 7.019 8.803 1.00 0.00 H new ATOM 0 HA TYR A 111 9.447 6.716 10.747 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.040 4.847 8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.464 4.475 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.649 4.732 11.883 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.771 4.795 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.296 4.227 12.370 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.418 4.287 8.199 1.00 0.00 H new ATOM 0 HH TYR A 111 3.277 3.856 11.556 1.00 0.00 H new ATOM 1765 N LYS A 112 10.234 7.473 7.682 1.00 0.00 N ATOM 1766 CA LYS A 112 11.325 7.841 6.791 1.00 0.00 C ATOM 1767 C LYS A 112 12.299 8.793 7.480 1.00 0.00 C ATOM 1768 O LYS A 112 13.447 8.437 7.746 1.00 0.00 O ATOM 1769 CB LYS A 112 10.776 8.486 5.517 1.00 0.00 C ATOM 1770 CG LYS A 112 11.672 8.297 4.305 1.00 0.00 C ATOM 1771 CD LYS A 112 10.885 8.400 3.009 1.00 0.00 C ATOM 1772 CE LYS A 112 10.409 7.035 2.537 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.313 6.502 3.393 1.00 0.00 N ATOM 0 H LYS A 112 9.304 7.685 7.319 1.00 0.00 H new ATOM 0 HA LYS A 112 11.864 6.932 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.794 8.066 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.635 9.553 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.461 9.049 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.159 7.323 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.027 9.056 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.508 8.856 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.062 7.108 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.246 6.337 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.869 5.688 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.703 6.201 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.601 7.244 3.547 1.00 0.00 H new ATOM 1787 N ASP A 113 11.833 10.005 7.766 1.00 0.00 N ATOM 1788 CA ASP A 113 12.662 11.007 8.423 1.00 0.00 C ATOM 1789 C ASP A 113 13.074 10.544 9.817 1.00 0.00 C ATOM 1790 O ASP A 113 14.198 10.789 10.256 1.00 0.00 O ATOM 1791 CB ASP A 113 11.913 12.338 8.516 1.00 0.00 C ATOM 1792 CG ASP A 113 11.608 12.926 7.152 1.00 0.00 C ATOM 1793 OD1 ASP A 113 10.998 12.217 6.323 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.978 14.094 6.913 1.00 0.00 O ATOM 0 H ASP A 113 10.885 10.316 7.553 1.00 0.00 H new ATOM 0 HA ASP A 113 13.563 11.146 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.981 12.190 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.509 13.048 9.090 1.00 0.00 H new ATOM 1799 N ALA A 114 12.158 9.873 10.507 1.00 0.00 N ATOM 1800 CA ALA A 114 12.426 9.376 11.850 1.00 0.00 C ATOM 1801 C ALA A 114 13.543 8.338 11.839 1.00 0.00 C ATOM 1802 O ALA A 114 14.353 8.274 12.764 1.00 0.00 O ATOM 1803 CB ALA A 114 11.162 8.787 12.457 1.00 0.00 C ATOM 0 H ALA A 114 11.223 9.661 10.158 1.00 0.00 H new ATOM 0 HA ALA A 114 12.753 10.216 12.463 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.377 8.420 13.460 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.391 9.556 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.810 7.963 11.837 1.00 0.00 H new ATOM 1809 N ASP A 115 13.581 7.529 10.787 1.00 0.00 N ATOM 1810 CA ASP A 115 14.599 6.493 10.654 1.00 0.00 C ATOM 1811 C ASP A 115 15.870 7.057 10.028 1.00 0.00 C ATOM 1812 O ASP A 115 16.954 6.486 10.275 1.00 0.00 O ATOM 1813 CB ASP A 115 14.071 5.333 9.808 1.00 0.00 C ATOM 1814 CG ASP A 115 15.031 4.162 9.769 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.672 3.884 10.804 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.143 3.520 8.703 1.00 0.00 O ATOM 0 H ASP A 115 12.918 7.570 10.013 1.00 0.00 H new ATOM 0 HA ASP A 115 14.839 6.125 11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.113 5.001 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.887 5.682 8.792 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 1.569 -0.769 -16.707 1.00 0.00 N ATOM 1823 CA TYR B 90 1.044 -0.009 -17.872 1.00 0.00 C ATOM 1824 C TYR B 90 1.934 1.186 -18.198 1.00 0.00 C ATOM 1825 O TYR B 90 2.606 1.209 -19.228 1.00 0.00 O ATOM 1826 CB TYR B 90 -0.375 0.462 -17.546 1.00 0.00 C ATOM 1827 CG TYR B 90 -1.346 -0.670 -17.293 1.00 0.00 C ATOM 1828 CD1 TYR B 90 -1.725 -1.528 -18.318 1.00 0.00 C ATOM 1829 CD2 TYR B 90 -1.883 -0.879 -16.029 1.00 0.00 C ATOM 1830 CE1 TYR B 90 -2.613 -2.563 -18.089 1.00 0.00 C ATOM 1831 CE2 TYR B 90 -2.770 -1.912 -15.792 1.00 0.00 C ATOM 1832 CZ TYR B 90 -3.131 -2.750 -16.825 1.00 0.00 C ATOM 1833 OH TYR B 90 -4.014 -3.779 -16.594 1.00 0.00 O ATOM 0 HA TYR B 90 1.034 -0.658 -18.748 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -0.342 1.105 -16.666 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -0.746 1.070 -18.371 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -1.320 -1.384 -19.309 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -1.603 -0.223 -15.218 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -2.899 -3.221 -18.896 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -3.178 -2.062 -14.803 1.00 0.00 H new ATOM 0 HH TYR B 90 -4.284 -3.773 -15.652 1.00 0.00 H new ATOM 1843 N ASP B 91 1.934 2.176 -17.311 1.00 0.00 N ATOM 1844 CA ASP B 91 2.742 3.375 -17.504 1.00 0.00 C ATOM 1845 C ASP B 91 4.223 3.022 -17.587 1.00 0.00 C ATOM 1846 O ASP B 91 4.846 3.158 -18.640 1.00 0.00 O ATOM 1847 CB ASP B 91 2.504 4.365 -16.363 1.00 0.00 C ATOM 1848 CG ASP B 91 2.522 5.805 -16.834 1.00 0.00 C ATOM 1849 OD1 ASP B 91 1.449 6.318 -17.219 1.00 0.00 O ATOM 1850 OD2 ASP B 91 3.607 6.422 -16.818 1.00 0.00 O ATOM 0 H ASP B 91 1.384 2.172 -16.452 1.00 0.00 H new ATOM 0 HA ASP B 91 2.443 3.838 -18.444 1.00 0.00 H new ATOM 0 HB2 ASP B 91 1.543 4.151 -15.894 1.00 0.00 H new ATOM 0 HB3 ASP B 91 3.269 4.226 -15.599 1.00 0.00 H new ATOM 1855 N SER B 92 4.783 2.569 -16.469 1.00 0.00 N ATOM 1856 CA SER B 92 6.191 2.197 -16.416 1.00 0.00 C ATOM 1857 C SER B 92 6.362 0.692 -16.598 1.00 0.00 C ATOM 1858 O SER B 92 6.963 0.239 -17.572 1.00 0.00 O ATOM 1859 CB SER B 92 6.806 2.636 -15.086 1.00 0.00 C ATOM 1860 OG SER B 92 8.209 2.433 -15.081 1.00 0.00 O ATOM 0 H SER B 92 4.282 2.451 -15.588 1.00 0.00 H new ATOM 0 HA SER B 92 6.707 2.704 -17.231 1.00 0.00 H new ATOM 0 HB2 SER B 92 6.587 3.689 -14.911 1.00 0.00 H new ATOM 0 HB3 SER B 92 6.351 2.076 -14.269 1.00 0.00 H new ATOM 0 HG SER B 92 8.578 2.723 -14.221 1.00 0.00 H new ATOM 1866 N GLU B 93 5.829 -0.076 -15.654 1.00 0.00 N ATOM 1867 CA GLU B 93 5.921 -1.532 -15.710 1.00 0.00 C ATOM 1868 C GLU B 93 4.639 -2.179 -15.195 1.00 0.00 C ATOM 1869 O GLU B 93 3.904 -2.812 -15.953 1.00 0.00 O ATOM 1870 CB GLU B 93 7.123 -2.030 -14.900 1.00 0.00 C ATOM 1871 CG GLU B 93 7.440 -1.183 -13.674 1.00 0.00 C ATOM 1872 CD GLU B 93 7.572 -2.012 -12.411 1.00 0.00 C ATOM 1873 OE1 GLU B 93 8.068 -3.155 -12.499 1.00 0.00 O ATOM 1874 OE2 GLU B 93 7.178 -1.519 -11.333 1.00 0.00 O ATOM 0 H GLU B 93 5.329 0.284 -14.841 1.00 0.00 H new ATOM 0 HA GLU B 93 6.058 -1.818 -16.753 1.00 0.00 H new ATOM 0 HB2 GLU B 93 6.933 -3.055 -14.581 1.00 0.00 H new ATOM 0 HB3 GLU B 93 7.999 -2.055 -15.548 1.00 0.00 H new ATOM 0 HG2 GLU B 93 8.368 -0.637 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU B 93 6.654 -0.441 -13.537 1.00 0.00 H new ATOM 1881 N GLU B 94 4.375 -2.017 -13.902 1.00 0.00 N ATOM 1882 CA GLU B 94 3.180 -2.586 -13.288 1.00 0.00 C ATOM 1883 C GLU B 94 2.304 -1.492 -12.686 1.00 0.00 C ATOM 1884 O GLU B 94 1.081 -1.521 -12.816 1.00 0.00 O ATOM 1885 CB GLU B 94 3.570 -3.597 -12.208 1.00 0.00 C ATOM 1886 CG GLU B 94 4.135 -4.894 -12.763 1.00 0.00 C ATOM 1887 CD GLU B 94 3.134 -6.032 -12.722 1.00 0.00 C ATOM 1888 OE1 GLU B 94 2.570 -6.287 -11.637 1.00 0.00 O ATOM 1889 OE2 GLU B 94 2.913 -6.668 -13.774 1.00 0.00 O ATOM 0 H GLU B 94 4.972 -1.497 -13.259 1.00 0.00 H new ATOM 0 HA GLU B 94 2.609 -3.096 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU B 94 4.308 -3.143 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU B 94 2.694 -3.823 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU B 94 4.456 -4.735 -13.792 1.00 0.00 H new ATOM 0 HG3 GLU B 94 5.021 -5.174 -12.192 1.00 0.00 H new ATOM 1896 N PHE B 95 2.940 -0.530 -12.025 1.00 0.00 N ATOM 1897 CA PHE B 95 2.219 0.574 -11.401 1.00 0.00 C ATOM 1898 C PHE B 95 3.184 1.666 -10.951 1.00 0.00 C ATOM 1899 O PHE B 95 4.401 1.482 -10.976 1.00 0.00 O ATOM 1900 CB PHE B 95 1.407 0.067 -10.208 1.00 0.00 C ATOM 1901 CG PHE B 95 0.147 0.846 -9.962 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.936 0.724 -10.817 1.00 0.00 C ATOM 1903 CD2 PHE B 95 0.046 1.697 -8.874 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -2.097 1.438 -10.592 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -1.113 2.413 -8.644 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.185 2.283 -9.503 1.00 0.00 C ATOM 0 H PHE B 95 3.953 -0.493 -11.908 1.00 0.00 H new ATOM 0 HA PHE B 95 1.539 0.999 -12.139 1.00 0.00 H new ATOM 0 HB2 PHE B 95 1.151 -0.980 -10.372 1.00 0.00 H new ATOM 0 HB3 PHE B 95 2.029 0.106 -9.313 1.00 0.00 H new ATOM 0 HD1 PHE B 95 -0.872 0.063 -11.669 1.00 0.00 H new ATOM 0 HD2 PHE B 95 0.882 1.802 -8.198 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -2.934 1.336 -11.266 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -1.180 3.074 -7.792 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.092 2.841 -9.324 1.00 0.00 H new ATOM 1916 N GLU B 96 2.635 2.807 -10.545 1.00 0.00 N ATOM 1917 CA GLU B 96 3.450 3.930 -10.093 1.00 0.00 C ATOM 1918 C GLU B 96 3.624 3.906 -8.578 1.00 0.00 C ATOM 1919 O GLU B 96 2.725 3.493 -7.846 1.00 0.00 O ATOM 1920 CB GLU B 96 2.815 5.253 -10.524 1.00 0.00 C ATOM 1921 CG GLU B 96 3.713 6.460 -10.305 1.00 0.00 C ATOM 1922 CD GLU B 96 2.994 7.608 -9.623 1.00 0.00 C ATOM 1923 OE1 GLU B 96 1.745 7.614 -9.631 1.00 0.00 O ATOM 1924 OE2 GLU B 96 3.680 8.500 -9.081 1.00 0.00 O ATOM 0 H GLU B 96 1.630 2.978 -10.520 1.00 0.00 H new ATOM 0 HA GLU B 96 4.434 3.839 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU B 96 2.552 5.193 -11.580 1.00 0.00 H new ATOM 0 HB3 GLU B 96 1.886 5.397 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU B 96 4.571 6.164 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU B 96 4.100 6.799 -11.266 1.00 0.00 H new ATOM 1931 N ASP B 97 4.788 4.352 -8.115 1.00 0.00 N ATOM 1932 CA ASP B 97 5.082 4.382 -6.686 1.00 0.00 C ATOM 1933 C ASP B 97 4.686 5.723 -6.075 1.00 0.00 C ATOM 1934 O ASP B 97 4.503 6.711 -6.785 1.00 0.00 O ATOM 1935 CB ASP B 97 6.570 4.120 -6.447 1.00 0.00 C ATOM 1936 CG ASP B 97 6.850 3.623 -5.042 1.00 0.00 C ATOM 1937 OD1 ASP B 97 6.008 2.879 -4.497 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.912 3.978 -4.488 1.00 0.00 O ATOM 0 H ASP B 97 5.543 4.697 -8.708 1.00 0.00 H new ATOM 0 HA ASP B 97 4.498 3.598 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.927 3.384 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP B 97 7.131 5.038 -6.624 1.00 0.00 H new ATOM 1943 N VAL B 98 4.557 5.747 -4.752 1.00 0.00 N ATOM 1944 CA VAL B 98 4.184 6.963 -4.041 1.00 0.00 C ATOM 1945 C VAL B 98 5.152 7.249 -2.897 1.00 0.00 C ATOM 1946 O VAL B 98 5.097 6.606 -1.849 1.00 0.00 O ATOM 1947 CB VAL B 98 2.754 6.867 -3.474 1.00 0.00 C ATOM 1948 CG1 VAL B 98 2.329 8.193 -2.861 1.00 0.00 C ATOM 1949 CG2 VAL B 98 1.779 6.437 -4.560 1.00 0.00 C ATOM 0 H VAL B 98 4.706 4.937 -4.151 1.00 0.00 H new ATOM 0 HA VAL B 98 4.227 7.777 -4.764 1.00 0.00 H new ATOM 0 HB VAL B 98 2.745 6.112 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.317 8.104 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL B 98 3.011 8.456 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.354 8.971 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL B 98 0.774 6.374 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL B 98 1.791 7.167 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.073 5.461 -4.947 1.00 0.00 H new ATOM 1959 N THR B 99 6.038 8.218 -3.106 1.00 0.00 N ATOM 1960 CA THR B 99 7.018 8.589 -2.092 1.00 0.00 C ATOM 1961 C THR B 99 7.327 10.081 -2.153 1.00 0.00 C ATOM 1962 O THR B 99 8.079 10.534 -3.015 1.00 0.00 O ATOM 1963 CB THR B 99 8.303 7.781 -2.275 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.502 7.457 -3.639 1.00 0.00 O ATOM 1965 CG2 THR B 99 8.314 6.487 -1.490 1.00 0.00 C ATOM 0 H THR B 99 6.097 8.760 -3.968 1.00 0.00 H new ATOM 0 HA THR B 99 6.593 8.365 -1.113 1.00 0.00 H new ATOM 0 HB THR B 99 9.102 8.421 -1.900 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.330 6.942 -3.735 1.00 0.00 H new ATOM 0 HG21 THR B 99 9.254 5.963 -1.665 1.00 0.00 H new ATOM 0 HG22 THR B 99 8.213 6.705 -0.427 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.483 5.859 -1.812 1.00 0.00 H new ATOM 1973 N ASP B 100 6.742 10.839 -1.231 1.00 0.00 N ATOM 1974 CA ASP B 100 6.956 12.282 -1.181 1.00 0.00 C ATOM 1975 C ASP B 100 6.680 12.824 0.218 1.00 0.00 C ATOM 1976 O ASP B 100 7.495 13.551 0.784 1.00 0.00 O ATOM 1977 CB ASP B 100 6.060 12.988 -2.200 1.00 0.00 C ATOM 1978 CG ASP B 100 4.621 12.514 -2.131 1.00 0.00 C ATOM 1979 OD1 ASP B 100 4.381 11.310 -2.361 1.00 0.00 O ATOM 1980 OD2 ASP B 100 3.735 13.347 -1.848 1.00 0.00 O ATOM 0 H ASP B 100 6.117 10.479 -0.509 1.00 0.00 H new ATOM 0 HA ASP B 100 7.999 12.478 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP B 100 6.094 14.064 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP B 100 6.449 12.815 -3.203 1.00 0.00 H new ATOM 1985 N GLY B 101 5.524 12.464 0.768 1.00 0.00 N ATOM 1986 CA GLY B 101 5.161 12.923 2.096 1.00 0.00 C ATOM 1987 C GLY B 101 5.048 14.433 2.177 1.00 0.00 C ATOM 1988 O GLY B 101 5.821 15.084 2.880 1.00 0.00 O ATOM 0 H GLY B 101 4.833 11.863 0.318 1.00 0.00 H new ATOM 0 HA2 GLY B 101 4.210 12.475 2.385 1.00 0.00 H new ATOM 0 HA3 GLY B 101 5.907 12.579 2.813 1.00 0.00 H new ATOM 1992 N ASN B 102 4.082 14.992 1.455 1.00 0.00 N ATOM 1993 CA ASN B 102 3.870 16.434 1.448 1.00 0.00 C ATOM 1994 C ASN B 102 5.111 17.165 0.946 1.00 0.00 C ATOM 1995 O ASN B 102 5.942 17.612 1.736 1.00 0.00 O ATOM 1996 CB ASN B 102 3.509 16.924 2.851 1.00 0.00 C ATOM 1997 CG ASN B 102 2.793 18.260 2.830 1.00 0.00 C ATOM 1998 OD1 ASN B 102 1.564 18.319 2.771 1.00 0.00 O ATOM 1999 ND2 ASN B 102 3.559 19.344 2.881 1.00 0.00 N ATOM 0 H ASN B 102 3.434 14.468 0.867 1.00 0.00 H new ATOM 0 HA ASN B 102 3.044 16.651 0.771 1.00 0.00 H new ATOM 0 HB2 ASN B 102 2.876 16.183 3.340 1.00 0.00 H new ATOM 0 HB3 ASN B 102 4.417 17.011 3.447 1.00 0.00 H new ATOM 0 HD21 ASN B 102 3.133 20.271 2.872 1.00 0.00 H new ATOM 0 HD22 ASN B 102 4.573 19.250 2.929 1.00 0.00 H new ATOM 2006 N GLU B 103 5.229 17.282 -0.373 1.00 0.00 N ATOM 2007 CA GLU B 103 6.368 17.959 -0.985 1.00 0.00 C ATOM 2008 C GLU B 103 7.665 17.203 -0.705 1.00 0.00 C ATOM 2009 O GLU B 103 8.174 16.486 -1.567 1.00 0.00 O ATOM 2010 CB GLU B 103 6.476 19.397 -0.469 1.00 0.00 C ATOM 2011 CG GLU B 103 5.903 20.430 -1.425 1.00 0.00 C ATOM 2012 CD GLU B 103 6.483 21.813 -1.205 1.00 0.00 C ATOM 2013 OE1 GLU B 103 6.390 22.322 -0.068 1.00 0.00 O ATOM 2014 OE2 GLU B 103 7.032 22.387 -2.170 1.00 0.00 O ATOM 0 H GLU B 103 4.549 16.916 -1.040 1.00 0.00 H new ATOM 0 HA GLU B 103 6.208 17.982 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.957 19.471 0.487 1.00 0.00 H new ATOM 0 HB3 GLU B 103 7.524 19.629 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU B 103 6.098 20.117 -2.451 1.00 0.00 H new ATOM 0 HG3 GLU B 103 4.820 20.471 -1.304 1.00 0.00 H new ATOM 2021 N VAL B 104 8.195 17.369 0.502 1.00 0.00 N ATOM 2022 CA VAL B 104 9.431 16.703 0.893 1.00 0.00 C ATOM 2023 C VAL B 104 9.173 15.656 1.973 1.00 0.00 C ATOM 2024 O VAL B 104 8.237 15.855 2.777 1.00 0.00 O ATOM 2025 CB VAL B 104 10.476 17.715 1.406 1.00 0.00 C ATOM 2026 CG1 VAL B 104 9.953 18.454 2.629 1.00 0.00 C ATOM 2027 CG2 VAL B 104 11.792 17.017 1.716 1.00 0.00 C ATOM 0 H VAL B 104 7.787 17.960 1.227 1.00 0.00 H new ATOM 0 HA VAL B 104 9.823 16.211 0.003 1.00 0.00 H new ATOM 0 HB VAL B 104 10.658 18.448 0.620 1.00 0.00 H new ATOM 0 HG11 VAL B 104 10.705 19.163 2.975 1.00 0.00 H new ATOM 0 HG12 VAL B 104 9.041 18.991 2.367 1.00 0.00 H new ATOM 0 HG13 VAL B 104 9.737 17.738 3.422 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.516 17.748 2.076 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.630 16.259 2.482 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.174 16.543 0.812 1.00 0.00 H new TER 2037 VAL B 104