USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : +bothHN:sc= 1.13 K(o=1.2,f=-5.6!) USER MOD Set 1.2: A 111 HIS : no HE2:sc= 0.114 K(o=1.2,f=-1.9) USER MOD Set 2.1: A 108 HIS : no HE2:sc= -0.0546 K(o=-0.1,f=-2.4) USER MOD Set 2.2: A 110 HIS : no HD1:sc= -0.0486 K(o=-0.1,f=-2.7) USER MOD Set 3.1: A 49 TYR OH : rot -107:sc= 1.23 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.306 K(o=1.5,f=-2.4!) USER MOD Set 4.1: A 24 TYR OH : rot -83:sc= 1.93 USER MOD Set 4.2: A 62 CYS SG : rot 114:sc= -0.864 USER MOD Set 5.1: A 58 SER OG : rot 170:sc= 0 USER MOD Set 5.2: A 61 GLN : amide:sc=-0.00294 X(o=-0.0029,f=-0.28) USER MOD Set 6.1: A 54 ASN : amide:sc= 0.658 K(o=1.4,f=-7.9!) USER MOD Set 6.2: A 56 THR OG1 : rot -29:sc= 0.725 USER MOD Set 7.1: A 52 CYS SG : rot 82:sc= -1.89 USER MOD Set 7.2: A 88 CYS SG : rot -139:sc= -0.129 USER MOD Set 8.1: A 39 THR OG1 : rot 66:sc= 1.16 USER MOD Set 8.2: A 83 HIS : no HE2:sc= 0.916 K(o=2.1,f=-8.2!) USER MOD Set 9.1: A 11 GLN : amide:sc= 0.99 K(o=2,f=-0.85) USER MOD Set 9.2: A 19 TYR OH : rot 93:sc= 0.965 USER MOD Set10.1: A 1 MET CE :methyl -167:sc=-0.00207 (180deg=-0.194) USER MOD Set10.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0316 (180deg=-0.182) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.24 X(o=0.24,f=-0.088) USER MOD Single : A 6 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 2.06 (180deg=1.88) USER MOD Single : A 9 ASN : amide:sc= -0.459 K(o=-0.46,f=-2.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-4.2!) USER MOD Single : A 17 SER OG : rot 82:sc= 0.689 USER MOD Single : A 20 MET CE :methyl -162:sc= 0 (180deg=-0.656) USER MOD Single : A 21 SER OG : rot 84:sc= 0.803 USER MOD Single : A 22 GLN : amide:sc= 0.0271 K(o=0.027,f=-6.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.784 K(o=0.78,f=-0.73) USER MOD Single : A 34 THR OG1 : rot 53:sc= 1.16 USER MOD Single : A 35 THR OG1 : rot -76:sc= 0.4 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 160:sc= 0.82 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -52:sc= 0.688 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.573 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.98 (180deg=1.78) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc=-0.000823 X(o=-0.00082,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= -0.236 (180deg=-0.236) USER MOD Single : A 107 HIS : no HE2:sc= 0.904 K(o=0.9,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.660 -1.204 -0.836 1.00 0.00 N ATOM 2 CA MET A 1 -0.020 -2.551 -0.766 1.00 0.00 C ATOM 3 C MET A 1 -1.037 -3.677 -1.033 1.00 0.00 C ATOM 4 O MET A 1 -0.678 -4.740 -1.541 1.00 0.00 O ATOM 5 CB MET A 1 0.637 -2.757 0.597 1.00 0.00 C ATOM 6 CG MET A 1 1.793 -1.810 0.889 1.00 0.00 C ATOM 7 SD MET A 1 3.119 -1.936 -0.328 1.00 0.00 S ATOM 8 CE MET A 1 3.773 -3.559 0.052 1.00 0.00 C ATOM 0 H1 MET A 1 0.076 -0.470 -0.838 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.223 -1.132 -1.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.280 -1.071 -0.011 1.00 0.00 H new ATOM 0 HA MET A 1 0.742 -2.593 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.119 -2.637 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.999 -3.783 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.422 -0.785 0.911 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.193 -2.026 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.732 -3.691 -0.448 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.910 -3.653 1.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.076 -4.322 -0.293 1.00 0.00 H new ATOM 20 N SER A 2 -2.302 -3.432 -0.699 1.00 0.00 N ATOM 21 CA SER A 2 -3.373 -4.438 -0.836 1.00 0.00 C ATOM 22 C SER A 2 -3.646 -4.827 -2.301 1.00 0.00 C ATOM 23 O SER A 2 -4.205 -5.894 -2.572 1.00 0.00 O ATOM 24 CB SER A 2 -4.646 -3.921 -0.193 1.00 0.00 C ATOM 25 OG SER A 2 -5.168 -2.814 -0.876 1.00 0.00 O ATOM 0 H SER A 2 -2.621 -2.538 -0.327 1.00 0.00 H new ATOM 0 HA SER A 2 -3.033 -5.340 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.390 -4.717 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.443 -3.646 0.842 1.00 0.00 H new ATOM 0 HG SER A 2 -5.988 -2.512 -0.432 1.00 0.00 H new ATOM 31 N TRP A 3 -3.272 -3.961 -3.242 1.00 0.00 N ATOM 32 CA TRP A 3 -3.367 -4.290 -4.672 1.00 0.00 C ATOM 33 C TRP A 3 -2.575 -5.557 -5.036 1.00 0.00 C ATOM 34 O TRP A 3 -2.918 -6.252 -5.997 1.00 0.00 O ATOM 35 CB TRP A 3 -2.874 -3.111 -5.514 1.00 0.00 C ATOM 36 CG TRP A 3 -1.425 -2.791 -5.305 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.906 -1.929 -4.385 1.00 0.00 C ATOM 38 CD2 TRP A 3 -0.311 -3.328 -6.028 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.463 -1.894 -4.491 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.852 -2.746 -5.493 1.00 0.00 C ATOM 41 CE3 TRP A 3 -0.187 -4.246 -7.078 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.119 -3.047 -5.969 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.084 -4.548 -7.553 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.204 -3.967 -7.014 1.00 0.00 C ATOM 0 H TRP A 3 -2.902 -3.031 -3.046 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.417 -4.488 -4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.040 -3.333 -6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.470 -2.230 -5.276 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.487 -1.357 -3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.088 -1.327 -3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.061 -4.710 -7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.002 -2.589 -5.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.192 -5.254 -8.363 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.175 -4.228 -7.408 1.00 0.00 H new ATOM 55 N MET A 4 -1.531 -5.869 -4.268 1.00 0.00 N ATOM 56 CA MET A 4 -0.751 -7.089 -4.509 1.00 0.00 C ATOM 57 C MET A 4 -1.626 -8.329 -4.262 1.00 0.00 C ATOM 58 O MET A 4 -1.701 -9.237 -5.099 1.00 0.00 O ATOM 59 CB MET A 4 0.487 -7.118 -3.615 1.00 0.00 C ATOM 60 CG MET A 4 1.544 -6.081 -3.969 1.00 0.00 C ATOM 61 SD MET A 4 2.975 -6.143 -2.872 1.00 0.00 S ATOM 62 CE MET A 4 3.925 -4.751 -3.475 1.00 0.00 C ATOM 0 H MET A 4 -1.207 -5.304 -3.483 1.00 0.00 H new ATOM 0 HA MET A 4 -0.420 -7.095 -5.548 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.177 -6.965 -2.581 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.936 -8.110 -3.669 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.872 -6.239 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.100 -5.086 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.843 -4.658 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.174 -4.908 -4.525 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.338 -3.838 -3.374 1.00 0.00 H new ATOM 72 N GLN A 5 -2.276 -8.366 -3.094 1.00 0.00 N ATOM 73 CA GLN A 5 -3.292 -9.383 -2.795 1.00 0.00 C ATOM 74 C GLN A 5 -4.326 -9.484 -3.924 1.00 0.00 C ATOM 75 O GLN A 5 -4.607 -10.572 -4.418 1.00 0.00 O ATOM 76 CB GLN A 5 -3.999 -9.063 -1.475 1.00 0.00 C ATOM 77 CG GLN A 5 -5.093 -10.047 -1.100 1.00 0.00 C ATOM 78 CD GLN A 5 -5.757 -9.700 0.220 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.425 -8.669 0.341 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.573 -10.557 1.217 1.00 0.00 N ATOM 0 H GLN A 5 -2.116 -7.701 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.783 -10.343 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.258 -9.039 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.431 -8.064 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.846 -10.067 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.670 -11.050 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.013 -11.397 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.992 -10.376 2.129 1.00 0.00 H new ATOM 89 N ASN A 6 -4.867 -8.333 -4.330 1.00 0.00 N ATOM 90 CA ASN A 6 -5.921 -8.260 -5.357 1.00 0.00 C ATOM 91 C ASN A 6 -5.512 -8.954 -6.668 1.00 0.00 C ATOM 92 O ASN A 6 -6.346 -9.548 -7.352 1.00 0.00 O ATOM 93 CB ASN A 6 -6.315 -6.821 -5.636 1.00 0.00 C ATOM 94 CG ASN A 6 -7.133 -6.194 -4.541 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.721 -6.889 -3.703 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.242 -4.891 -4.593 1.00 0.00 N ATOM 0 H ASN A 6 -4.590 -7.424 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.781 -8.794 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.412 -6.229 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.881 -6.783 -6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.834 -4.402 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.735 -4.365 -5.305 1.00 0.00 H new ATOM 103 N LEU A 7 -4.232 -8.871 -7.015 1.00 0.00 N ATOM 104 CA LEU A 7 -3.727 -9.498 -8.242 1.00 0.00 C ATOM 105 C LEU A 7 -3.609 -11.023 -8.077 1.00 0.00 C ATOM 106 O LEU A 7 -4.219 -11.790 -8.820 1.00 0.00 O ATOM 107 CB LEU A 7 -2.370 -8.893 -8.624 1.00 0.00 C ATOM 108 CG LEU A 7 -2.418 -7.441 -9.118 1.00 0.00 C ATOM 109 CD1 LEU A 7 -1.005 -6.915 -9.329 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.219 -7.369 -10.409 1.00 0.00 C ATOM 0 H LEU A 7 -3.524 -8.379 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.439 -9.302 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.711 -8.944 -7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.921 -9.510 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.905 -6.818 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.049 -5.884 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.457 -6.955 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.495 -7.529 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.253 -6.337 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.746 -7.994 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.234 -7.724 -10.228 1.00 0.00 H new ATOM 122 N LYS A 8 -2.835 -11.444 -7.075 1.00 0.00 N ATOM 123 CA LYS A 8 -2.569 -12.865 -6.804 1.00 0.00 C ATOM 124 C LYS A 8 -3.808 -13.638 -6.262 1.00 0.00 C ATOM 125 O LYS A 8 -3.774 -14.864 -6.160 1.00 0.00 O ATOM 126 CB LYS A 8 -1.407 -12.988 -5.817 1.00 0.00 C ATOM 127 CG LYS A 8 -1.711 -12.462 -4.420 1.00 0.00 C ATOM 128 CD LYS A 8 -0.483 -12.531 -3.524 1.00 0.00 C ATOM 129 CE LYS A 8 -0.479 -11.403 -2.502 1.00 0.00 C ATOM 130 NZ LYS A 8 0.825 -11.301 -1.792 1.00 0.00 N ATOM 0 H LYS A 8 -2.372 -10.810 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.313 -13.325 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.119 -14.037 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.548 -12.449 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.059 -11.431 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.520 -13.044 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.460 -13.491 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.418 -12.475 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.694 -10.459 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.275 -11.568 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.855 -10.417 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.934 -12.110 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.599 -11.305 -2.486 1.00 0.00 H new ATOM 144 N ASN A 9 -4.891 -12.932 -5.906 1.00 0.00 N ATOM 145 CA ASN A 9 -6.120 -13.593 -5.427 1.00 0.00 C ATOM 146 C ASN A 9 -6.627 -14.641 -6.428 1.00 0.00 C ATOM 147 O ASN A 9 -7.122 -15.697 -6.036 1.00 0.00 O ATOM 148 CB ASN A 9 -7.215 -12.583 -5.133 1.00 0.00 C ATOM 149 CG ASN A 9 -7.099 -11.942 -3.778 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.406 -12.447 -2.887 1.00 0.00 O ATOM 151 ND2 ASN A 9 -7.839 -10.878 -3.592 1.00 0.00 N ATOM 0 H ASN A 9 -4.944 -11.914 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.861 -14.103 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.194 -11.805 -5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.183 -13.078 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.862 -10.426 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.393 -10.501 -4.361 1.00 0.00 H new ATOM 158 N TYR A 10 -6.510 -14.332 -7.717 1.00 0.00 N ATOM 159 CA TYR A 10 -7.078 -15.177 -8.772 1.00 0.00 C ATOM 160 C TYR A 10 -6.393 -14.941 -10.124 1.00 0.00 C ATOM 161 O TYR A 10 -6.083 -13.806 -10.491 1.00 0.00 O ATOM 162 CB TYR A 10 -8.582 -14.928 -8.899 1.00 0.00 C ATOM 163 CG TYR A 10 -9.278 -15.854 -9.871 1.00 0.00 C ATOM 164 CD1 TYR A 10 -9.764 -17.087 -9.458 1.00 0.00 C ATOM 165 CD2 TYR A 10 -9.447 -15.493 -11.199 1.00 0.00 C ATOM 166 CE1 TYR A 10 -10.399 -17.937 -10.342 1.00 0.00 C ATOM 167 CE2 TYR A 10 -10.082 -16.335 -12.093 1.00 0.00 C ATOM 168 CZ TYR A 10 -10.556 -17.557 -11.660 1.00 0.00 C ATOM 169 OH TYR A 10 -11.190 -18.399 -12.545 1.00 0.00 O ATOM 0 H TYR A 10 -6.027 -13.502 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.905 -16.215 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.042 -15.036 -7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.744 -13.898 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.643 -17.387 -8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.076 -14.538 -11.541 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.771 -18.893 -10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.206 -16.038 -13.124 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.219 -17.981 -13.431 1.00 0.00 H new ATOM 179 N GLN A 11 -6.172 -16.023 -10.864 1.00 0.00 N ATOM 180 CA GLN A 11 -5.587 -15.938 -12.201 1.00 0.00 C ATOM 181 C GLN A 11 -6.661 -15.589 -13.245 1.00 0.00 C ATOM 182 O GLN A 11 -7.275 -16.475 -13.843 1.00 0.00 O ATOM 183 CB GLN A 11 -4.907 -17.260 -12.572 1.00 0.00 C ATOM 184 CG GLN A 11 -4.394 -17.316 -14.001 1.00 0.00 C ATOM 185 CD GLN A 11 -3.389 -16.220 -14.298 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.509 -15.928 -13.484 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.516 -15.602 -15.467 1.00 0.00 N ATOM 0 H GLN A 11 -6.389 -16.972 -10.561 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.839 -15.145 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.073 -17.430 -11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.614 -18.075 -12.419 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.932 -18.287 -14.181 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.235 -17.231 -14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.259 -15.876 -16.111 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.871 -14.854 -15.721 1.00 0.00 H new ATOM 196 N HIS A 12 -6.907 -14.295 -13.450 1.00 0.00 N ATOM 197 CA HIS A 12 -7.828 -13.852 -14.508 1.00 0.00 C ATOM 198 C HIS A 12 -7.129 -13.023 -15.599 1.00 0.00 C ATOM 199 O HIS A 12 -7.668 -12.861 -16.693 1.00 0.00 O ATOM 200 CB HIS A 12 -8.977 -13.039 -13.903 1.00 0.00 C ATOM 201 CG HIS A 12 -8.527 -11.816 -13.165 1.00 0.00 C ATOM 202 ND1 HIS A 12 -7.655 -11.869 -12.099 1.00 0.00 N ATOM 203 CD2 HIS A 12 -8.826 -10.508 -13.343 1.00 0.00 C ATOM 204 CE1 HIS A 12 -7.437 -10.645 -11.651 1.00 0.00 C ATOM 205 NE2 HIS A 12 -8.137 -9.801 -12.388 1.00 0.00 N ATOM 0 H HIS A 12 -6.489 -13.539 -12.907 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.216 -14.753 -14.983 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.658 -12.741 -14.700 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.542 -13.676 -13.222 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.483 -10.097 -14.095 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.796 -10.380 -10.823 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.162 -8.788 -12.267 1.00 0.00 H new ATOM 210 N LEU A 13 -5.936 -12.503 -15.322 1.00 0.00 N ATOM 211 CA LEU A 13 -5.177 -11.778 -16.347 1.00 0.00 C ATOM 212 C LEU A 13 -3.768 -12.376 -16.530 1.00 0.00 C ATOM 213 O LEU A 13 -3.237 -13.010 -15.619 1.00 0.00 O ATOM 214 CB LEU A 13 -5.082 -10.291 -15.978 1.00 0.00 C ATOM 215 CG LEU A 13 -6.425 -9.551 -15.904 1.00 0.00 C ATOM 216 CD1 LEU A 13 -6.215 -8.145 -15.359 1.00 0.00 C ATOM 217 CD2 LEU A 13 -7.057 -9.506 -17.286 1.00 0.00 C ATOM 0 H LEU A 13 -5.477 -12.566 -14.413 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.707 -11.878 -17.294 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.583 -10.203 -15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.449 -9.791 -16.711 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.097 -10.081 -15.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.173 -7.627 -15.310 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.782 -8.203 -14.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.540 -7.597 -16.016 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.011 -8.981 -17.233 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.392 -8.983 -17.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.222 -10.522 -17.644 1.00 0.00 H new ATOM 229 N ARG A 14 -3.179 -12.197 -17.713 1.00 0.00 N ATOM 230 CA ARG A 14 -1.810 -12.667 -17.977 1.00 0.00 C ATOM 231 C ARG A 14 -0.735 -11.760 -17.352 1.00 0.00 C ATOM 232 O ARG A 14 0.452 -11.937 -17.632 1.00 0.00 O ATOM 233 CB ARG A 14 -1.563 -12.861 -19.466 1.00 0.00 C ATOM 234 CG ARG A 14 -2.360 -13.987 -20.105 1.00 0.00 C ATOM 235 CD ARG A 14 -2.129 -14.150 -21.563 1.00 0.00 C ATOM 236 NE ARG A 14 -2.958 -15.165 -22.195 1.00 0.00 N ATOM 237 CZ ARG A 14 -2.894 -15.502 -23.498 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.070 -14.887 -24.317 1.00 0.00 N ATOM 239 NH2 ARG A 14 -3.698 -16.454 -23.936 1.00 0.00 N ATOM 0 H ARG A 14 -3.623 -11.732 -18.504 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.723 -13.638 -17.489 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.798 -11.930 -19.983 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.501 -13.053 -19.622 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.112 -14.922 -19.603 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.421 -13.806 -19.935 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.308 -13.194 -22.056 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.081 -14.401 -21.726 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.635 -15.656 -21.611 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.466 -14.142 -23.969 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.034 -15.155 -25.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.344 -16.912 -23.293 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.673 -16.731 -24.917 1.00 0.00 H new ATOM 253 N ASP A 15 -1.127 -10.815 -16.498 1.00 0.00 N ATOM 254 CA ASP A 15 -0.159 -9.862 -15.927 1.00 0.00 C ATOM 255 C ASP A 15 0.880 -10.547 -15.021 1.00 0.00 C ATOM 256 O ASP A 15 0.535 -11.104 -13.984 1.00 0.00 O ATOM 257 CB ASP A 15 -0.894 -8.773 -15.140 1.00 0.00 C ATOM 258 CG ASP A 15 -0.005 -7.632 -14.663 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.191 -7.737 -14.806 1.00 0.00 O ATOM 260 OD2 ASP A 15 -0.530 -6.605 -14.307 1.00 0.00 O ATOM 0 H ASP A 15 -2.090 -10.684 -16.187 1.00 0.00 H new ATOM 0 HA ASP A 15 0.381 -9.417 -16.763 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.687 -8.362 -15.765 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.375 -9.229 -14.274 1.00 0.00 H new ATOM 265 N PRO A 16 2.185 -10.462 -15.375 1.00 0.00 N ATOM 266 CA PRO A 16 3.272 -11.017 -14.545 1.00 0.00 C ATOM 267 C PRO A 16 3.249 -10.483 -13.104 1.00 0.00 C ATOM 268 O PRO A 16 3.779 -11.113 -12.187 1.00 0.00 O ATOM 269 CB PRO A 16 4.547 -10.599 -15.285 1.00 0.00 C ATOM 270 CG PRO A 16 4.119 -10.440 -16.704 1.00 0.00 C ATOM 271 CD PRO A 16 2.724 -9.877 -16.638 1.00 0.00 C ATOM 0 HA PRO A 16 3.185 -12.097 -14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.951 -9.669 -14.886 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.328 -11.353 -15.188 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.788 -9.770 -17.244 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.133 -11.395 -17.228 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.730 -8.787 -16.608 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.130 -10.169 -17.504 1.00 0.00 H new ATOM 279 N SER A 17 2.629 -9.316 -12.914 1.00 0.00 N ATOM 280 CA SER A 17 2.548 -8.672 -11.595 1.00 0.00 C ATOM 281 C SER A 17 1.768 -9.531 -10.584 1.00 0.00 C ATOM 282 O SER A 17 1.965 -9.405 -9.377 1.00 0.00 O ATOM 283 CB SER A 17 1.906 -7.305 -11.726 1.00 0.00 C ATOM 284 OG SER A 17 2.576 -6.496 -12.654 1.00 0.00 O ATOM 0 H SER A 17 2.172 -8.793 -13.661 1.00 0.00 H new ATOM 0 HA SER A 17 3.564 -8.562 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.866 -7.421 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.900 -6.813 -10.754 1.00 0.00 H new ATOM 0 HG SER A 17 2.276 -6.720 -13.560 1.00 0.00 H new ATOM 290 N GLU A 18 0.892 -10.405 -11.080 1.00 0.00 N ATOM 291 CA GLU A 18 0.138 -11.320 -10.214 1.00 0.00 C ATOM 292 C GLU A 18 1.097 -12.305 -9.506 1.00 0.00 C ATOM 293 O GLU A 18 0.841 -12.757 -8.382 1.00 0.00 O ATOM 294 CB GLU A 18 -0.912 -12.082 -11.025 1.00 0.00 C ATOM 295 CG GLU A 18 -2.047 -11.218 -11.556 1.00 0.00 C ATOM 296 CD GLU A 18 -2.993 -12.020 -12.407 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.730 -13.179 -12.623 1.00 0.00 O ATOM 298 OE2 GLU A 18 -4.032 -11.508 -12.747 1.00 0.00 O ATOM 0 H GLU A 18 0.685 -10.501 -12.074 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.376 -10.732 -9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.420 -12.570 -11.866 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.333 -12.870 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.591 -10.776 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.637 -10.395 -12.141 1.00 0.00 H new ATOM 305 N TYR A 19 2.229 -12.593 -10.149 1.00 0.00 N ATOM 306 CA TYR A 19 3.198 -13.564 -9.623 1.00 0.00 C ATOM 307 C TYR A 19 4.325 -12.859 -8.853 1.00 0.00 C ATOM 308 O TYR A 19 4.904 -13.415 -7.925 1.00 0.00 O ATOM 309 CB TYR A 19 3.806 -14.382 -10.762 1.00 0.00 C ATOM 310 CG TYR A 19 2.785 -15.051 -11.662 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.252 -16.296 -11.346 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.372 -14.448 -12.843 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.346 -16.918 -12.181 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.460 -15.062 -13.678 1.00 0.00 C ATOM 315 CZ TYR A 19 0.953 -16.296 -13.346 1.00 0.00 C ATOM 316 OH TYR A 19 0.053 -16.915 -14.186 1.00 0.00 O ATOM 0 H TYR A 19 2.501 -12.169 -11.036 1.00 0.00 H new ATOM 0 HA TYR A 19 2.664 -14.226 -8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.435 -13.729 -11.367 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.456 -15.147 -10.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.552 -16.785 -10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.771 -13.482 -13.113 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.947 -17.888 -11.922 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.146 -14.574 -14.589 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.855 -16.617 -13.969 1.00 0.00 H new ATOM 326 N MET A 20 4.639 -11.632 -9.253 1.00 0.00 N ATOM 327 CA MET A 20 5.563 -10.787 -8.490 1.00 0.00 C ATOM 328 C MET A 20 4.908 -10.343 -7.171 1.00 0.00 C ATOM 329 O MET A 20 5.584 -10.070 -6.181 1.00 0.00 O ATOM 330 CB MET A 20 5.983 -9.575 -9.318 1.00 0.00 C ATOM 331 CG MET A 20 6.891 -9.900 -10.496 1.00 0.00 C ATOM 332 SD MET A 20 7.589 -8.424 -11.264 1.00 0.00 S ATOM 333 CE MET A 20 6.167 -7.800 -12.153 1.00 0.00 C ATOM 0 H MET A 20 4.271 -11.197 -10.099 1.00 0.00 H new ATOM 0 HA MET A 20 6.456 -11.366 -8.255 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.088 -9.078 -9.692 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.493 -8.865 -8.667 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.701 -10.546 -10.158 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.326 -10.460 -11.241 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.496 -7.096 -12.918 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.641 -8.629 -12.625 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.497 -7.294 -11.458 1.00 0.00 H new ATOM 343 N SER A 21 3.576 -10.267 -7.181 1.00 0.00 N ATOM 344 CA SER A 21 2.789 -10.073 -5.957 1.00 0.00 C ATOM 345 C SER A 21 2.698 -11.379 -5.155 1.00 0.00 C ATOM 346 O SER A 21 2.744 -11.363 -3.927 1.00 0.00 O ATOM 347 CB SER A 21 1.403 -9.564 -6.301 1.00 0.00 C ATOM 348 OG SER A 21 1.439 -8.282 -6.867 1.00 0.00 O ATOM 0 H SER A 21 3.014 -10.337 -8.029 1.00 0.00 H new ATOM 0 HA SER A 21 3.292 -9.329 -5.338 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.926 -10.254 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.790 -9.545 -5.400 1.00 0.00 H new ATOM 0 HG SER A 21 1.623 -8.353 -7.827 1.00 0.00 H new ATOM 354 N GLN A 22 2.545 -12.506 -5.862 1.00 0.00 N ATOM 355 CA GLN A 22 2.546 -13.836 -5.224 1.00 0.00 C ATOM 356 C GLN A 22 3.737 -13.989 -4.260 1.00 0.00 C ATOM 357 O GLN A 22 3.573 -14.355 -3.093 1.00 0.00 O ATOM 358 CB GLN A 22 2.594 -14.940 -6.284 1.00 0.00 C ATOM 359 CG GLN A 22 2.669 -16.346 -5.714 1.00 0.00 C ATOM 360 CD GLN A 22 2.867 -17.397 -6.791 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.052 -17.073 -7.967 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.824 -18.664 -6.395 1.00 0.00 N ATOM 0 H GLN A 22 2.419 -12.527 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 22 1.623 -13.929 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.708 -14.862 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.458 -14.774 -6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.491 -16.402 -5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.753 -16.561 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.669 -18.886 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.947 -19.415 -7.074 1.00 0.00 H new ATOM 371 N VAL A 23 4.938 -13.712 -4.759 1.00 0.00 N ATOM 372 CA VAL A 23 6.150 -13.781 -3.939 1.00 0.00 C ATOM 373 C VAL A 23 7.184 -12.726 -4.372 1.00 0.00 C ATOM 374 O VAL A 23 7.455 -12.538 -5.557 1.00 0.00 O ATOM 375 CB VAL A 23 6.794 -15.178 -4.008 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.243 -15.488 -5.428 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.969 -15.272 -3.047 1.00 0.00 C ATOM 0 H VAL A 23 5.101 -13.437 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 23 5.846 -13.578 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 23 6.048 -15.915 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.696 -16.479 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.382 -15.462 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.974 -14.745 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.412 -16.266 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.717 -14.525 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.622 -15.093 -2.029 1.00 0.00 H new ATOM 387 N TYR A 24 7.762 -12.046 -3.386 1.00 0.00 N ATOM 388 CA TYR A 24 8.763 -10.999 -3.633 1.00 0.00 C ATOM 389 C TYR A 24 10.202 -11.544 -3.525 1.00 0.00 C ATOM 390 O TYR A 24 11.128 -10.807 -3.180 1.00 0.00 O ATOM 391 CB TYR A 24 8.567 -9.838 -2.655 1.00 0.00 C ATOM 392 CG TYR A 24 8.576 -10.256 -1.200 1.00 0.00 C ATOM 393 CD1 TYR A 24 9.764 -10.334 -0.489 1.00 0.00 C ATOM 394 CD2 TYR A 24 7.396 -10.568 -0.543 1.00 0.00 C ATOM 395 CE1 TYR A 24 9.778 -10.715 0.840 1.00 0.00 C ATOM 396 CE2 TYR A 24 7.397 -10.949 0.785 1.00 0.00 C ATOM 397 CZ TYR A 24 8.591 -11.022 1.472 1.00 0.00 C ATOM 398 OH TYR A 24 8.598 -11.400 2.796 1.00 0.00 O ATOM 0 H TYR A 24 7.556 -12.199 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 24 8.619 -10.642 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.355 -9.102 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.620 -9.345 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.694 -10.093 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.460 -10.512 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.712 -10.772 1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.469 -11.188 1.282 1.00 0.00 H new ATOM 0 HH TYR A 24 8.797 -12.357 2.862 1.00 0.00 H new ATOM 408 N GLY A 25 10.388 -12.829 -3.830 1.00 0.00 N ATOM 409 CA GLY A 25 11.690 -13.467 -3.646 1.00 0.00 C ATOM 410 C GLY A 25 12.486 -13.693 -4.932 1.00 0.00 C ATOM 411 O GLY A 25 12.500 -12.845 -5.827 1.00 0.00 O ATOM 0 H GLY A 25 9.662 -13.442 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.286 -12.854 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.541 -14.429 -3.155 1.00 0.00 H new ATOM 415 N ASP A 26 13.156 -14.845 -5.009 1.00 0.00 N ATOM 416 CA ASP A 26 14.010 -15.202 -6.150 1.00 0.00 C ATOM 417 C ASP A 26 13.269 -15.132 -7.505 1.00 0.00 C ATOM 418 O ASP A 26 12.131 -15.592 -7.630 1.00 0.00 O ATOM 419 CB ASP A 26 14.589 -16.604 -5.947 1.00 0.00 C ATOM 420 CG ASP A 26 15.717 -16.677 -4.927 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.323 -15.664 -4.666 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.862 -17.701 -4.303 1.00 0.00 O ATOM 0 H ASP A 26 13.123 -15.560 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 26 14.812 -14.464 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.788 -17.273 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.956 -16.974 -6.904 1.00 0.00 H new ATOM 427 N PRO A 27 13.929 -14.556 -8.538 1.00 0.00 N ATOM 428 CA PRO A 27 13.369 -14.434 -9.901 1.00 0.00 C ATOM 429 C PRO A 27 12.795 -15.744 -10.465 1.00 0.00 C ATOM 430 O PRO A 27 11.781 -15.730 -11.165 1.00 0.00 O ATOM 431 CB PRO A 27 14.558 -13.943 -10.732 1.00 0.00 C ATOM 432 CG PRO A 27 15.388 -13.164 -9.769 1.00 0.00 C ATOM 433 CD PRO A 27 15.283 -13.906 -8.463 1.00 0.00 C ATOM 0 HA PRO A 27 12.512 -13.761 -9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.118 -14.777 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.230 -13.323 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.424 -13.101 -10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.022 -12.142 -9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.078 -14.644 -8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.358 -13.231 -7.610 1.00 0.00 H new ATOM 441 N LEU A 28 13.446 -16.866 -10.148 1.00 0.00 N ATOM 442 CA LEU A 28 13.048 -18.188 -10.664 1.00 0.00 C ATOM 443 C LEU A 28 11.658 -18.603 -10.148 1.00 0.00 C ATOM 444 O LEU A 28 10.914 -19.299 -10.841 1.00 0.00 O ATOM 445 CB LEU A 28 14.094 -19.242 -10.277 1.00 0.00 C ATOM 446 CG LEU A 28 15.470 -19.066 -10.933 1.00 0.00 C ATOM 447 CD1 LEU A 28 16.454 -20.077 -10.360 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.342 -19.233 -12.440 1.00 0.00 C ATOM 0 H LEU A 28 14.258 -16.890 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 28 12.991 -18.119 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.220 -19.226 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.708 -20.227 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 28 15.847 -18.065 -10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.428 -19.945 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.548 -19.924 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.092 -21.087 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.320 -19.108 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.959 -20.228 -12.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.655 -18.483 -12.832 1.00 0.00 H new ATOM 460 N ALA A 29 11.311 -18.148 -8.948 1.00 0.00 N ATOM 461 CA ALA A 29 10.044 -18.512 -8.309 1.00 0.00 C ATOM 462 C ALA A 29 8.822 -18.085 -9.147 1.00 0.00 C ATOM 463 O ALA A 29 8.089 -18.931 -9.665 1.00 0.00 O ATOM 464 CB ALA A 29 9.974 -17.907 -6.911 1.00 0.00 C ATOM 0 H ALA A 29 11.893 -17.521 -8.392 1.00 0.00 H new ATOM 0 HA ALA A 29 10.013 -19.599 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.029 -18.182 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.801 -18.284 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.042 -16.821 -6.981 1.00 0.00 H new ATOM 470 N TYR A 30 8.622 -16.775 -9.304 1.00 0.00 N ATOM 471 CA TYR A 30 7.482 -16.263 -10.077 1.00 0.00 C ATOM 472 C TYR A 30 7.687 -16.425 -11.594 1.00 0.00 C ATOM 473 O TYR A 30 6.727 -16.398 -12.359 1.00 0.00 O ATOM 474 CB TYR A 30 7.237 -14.790 -9.740 1.00 0.00 C ATOM 475 CG TYR A 30 8.383 -13.877 -10.113 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.549 -13.437 -11.418 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.295 -13.455 -9.157 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.595 -12.603 -11.763 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.344 -12.621 -9.491 1.00 0.00 C ATOM 480 CZ TYR A 30 10.491 -12.196 -10.795 1.00 0.00 C ATOM 481 OH TYR A 30 11.534 -11.364 -11.133 1.00 0.00 O ATOM 0 H TYR A 30 9.226 -16.053 -8.912 1.00 0.00 H new ATOM 0 HA TYR A 30 6.610 -16.855 -9.798 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.336 -14.455 -10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.046 -14.699 -8.671 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.849 -13.752 -12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.183 -13.784 -8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.711 -12.271 -12.784 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.046 -12.303 -8.734 1.00 0.00 H new ATOM 0 HH TYR A 30 12.071 -11.172 -10.336 1.00 0.00 H new ATOM 491 N LEU A 31 8.939 -16.593 -12.025 1.00 0.00 N ATOM 492 CA LEU A 31 9.231 -16.951 -13.420 1.00 0.00 C ATOM 493 C LEU A 31 8.613 -18.312 -13.785 1.00 0.00 C ATOM 494 O LEU A 31 7.900 -18.441 -14.788 1.00 0.00 O ATOM 495 CB LEU A 31 10.747 -16.973 -13.656 1.00 0.00 C ATOM 496 CG LEU A 31 11.184 -17.420 -15.057 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.641 -16.459 -16.105 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.703 -17.484 -15.118 1.00 0.00 C ATOM 0 H LEU A 31 9.764 -16.488 -11.435 1.00 0.00 H new ATOM 0 HA LEU A 31 8.783 -16.194 -14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.142 -15.974 -13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.203 -17.637 -12.922 1.00 0.00 H new ATOM 0 HG LEU A 31 10.782 -18.412 -15.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.957 -16.785 -17.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.552 -16.446 -16.057 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.025 -15.457 -15.913 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.014 -17.802 -16.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.118 -16.499 -14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.067 -18.198 -14.379 1.00 0.00 H new ATOM 510 N GLN A 32 8.872 -19.322 -12.955 1.00 0.00 N ATOM 511 CA GLN A 32 8.338 -20.663 -13.194 1.00 0.00 C ATOM 512 C GLN A 32 6.807 -20.674 -13.101 1.00 0.00 C ATOM 513 O GLN A 32 6.142 -21.334 -13.894 1.00 0.00 O ATOM 514 CB GLN A 32 8.925 -21.660 -12.191 1.00 0.00 C ATOM 515 CG GLN A 32 10.407 -21.935 -12.382 1.00 0.00 C ATOM 516 CD GLN A 32 10.699 -22.639 -13.694 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.892 -23.434 -14.181 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.862 -22.354 -14.270 1.00 0.00 N ATOM 0 H GLN A 32 9.445 -19.238 -12.115 1.00 0.00 H new ATOM 0 HA GLN A 32 8.625 -20.959 -14.203 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.764 -21.280 -11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.379 -22.600 -12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.956 -20.994 -12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.770 -22.546 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.499 -21.690 -13.831 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.117 -22.800 -15.151 1.00 0.00 H new ATOM 527 N GLU A 33 6.250 -19.928 -12.146 1.00 0.00 N ATOM 528 CA GLU A 33 4.791 -19.853 -11.985 1.00 0.00 C ATOM 529 C GLU A 33 4.146 -19.074 -13.151 1.00 0.00 C ATOM 530 O GLU A 33 3.060 -19.419 -13.616 1.00 0.00 O ATOM 531 CB GLU A 33 4.435 -19.197 -10.648 1.00 0.00 C ATOM 532 CG GLU A 33 3.032 -19.513 -10.148 1.00 0.00 C ATOM 533 CD GLU A 33 2.985 -20.851 -9.463 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.104 -21.847 -10.137 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.942 -20.878 -8.256 1.00 0.00 O ATOM 0 H GLU A 33 6.779 -19.370 -11.476 1.00 0.00 H new ATOM 0 HA GLU A 33 4.397 -20.869 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.156 -19.517 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.537 -18.116 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.707 -18.736 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.335 -19.506 -10.986 1.00 0.00 H new ATOM 542 N THR A 34 4.834 -18.038 -13.640 1.00 0.00 N ATOM 543 CA THR A 34 4.336 -17.237 -14.776 1.00 0.00 C ATOM 544 C THR A 34 4.267 -18.071 -16.064 1.00 0.00 C ATOM 545 O THR A 34 3.296 -17.994 -16.822 1.00 0.00 O ATOM 546 CB THR A 34 5.220 -16.001 -15.028 1.00 0.00 C ATOM 547 OG1 THR A 34 5.182 -15.140 -13.883 1.00 0.00 O ATOM 548 CG2 THR A 34 4.732 -15.237 -16.249 1.00 0.00 C ATOM 0 H THR A 34 5.735 -17.731 -13.273 1.00 0.00 H new ATOM 0 HA THR A 34 3.332 -16.909 -14.506 1.00 0.00 H new ATOM 0 HB THR A 34 6.242 -16.335 -15.205 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.411 -15.653 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.368 -14.367 -16.412 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.773 -15.885 -17.124 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.705 -14.910 -16.087 1.00 0.00 H new ATOM 556 N THR A 35 5.309 -18.858 -16.311 1.00 0.00 N ATOM 557 CA THR A 35 5.430 -19.628 -17.561 1.00 0.00 C ATOM 558 C THR A 35 4.759 -21.016 -17.465 1.00 0.00 C ATOM 559 O THR A 35 4.335 -21.583 -18.479 1.00 0.00 O ATOM 560 CB THR A 35 6.907 -19.817 -17.956 1.00 0.00 C ATOM 561 OG1 THR A 35 7.590 -20.547 -16.928 1.00 0.00 O ATOM 562 CG2 THR A 35 7.583 -18.469 -18.151 1.00 0.00 C ATOM 0 H THR A 35 6.088 -18.985 -15.665 1.00 0.00 H new ATOM 0 HA THR A 35 4.914 -19.046 -18.325 1.00 0.00 H new ATOM 0 HB THR A 35 6.949 -20.372 -18.893 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.767 -19.954 -16.168 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.626 -18.622 -18.430 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.073 -17.917 -18.941 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.535 -17.900 -17.222 1.00 0.00 H new ATOM 570 N LYS A 36 4.641 -21.555 -16.251 1.00 0.00 N ATOM 571 CA LYS A 36 4.020 -22.874 -16.046 1.00 0.00 C ATOM 572 C LYS A 36 2.709 -22.803 -15.229 1.00 0.00 C ATOM 573 O LYS A 36 1.669 -23.298 -15.676 1.00 0.00 O ATOM 574 CB LYS A 36 5.011 -23.812 -15.356 1.00 0.00 C ATOM 575 CG LYS A 36 6.359 -23.928 -16.055 1.00 0.00 C ATOM 576 CD LYS A 36 6.234 -24.662 -17.382 1.00 0.00 C ATOM 577 CE LYS A 36 7.581 -24.778 -18.080 1.00 0.00 C ATOM 578 NZ LYS A 36 7.467 -25.457 -19.400 1.00 0.00 N ATOM 0 H LYS A 36 4.964 -21.105 -15.395 1.00 0.00 H new ATOM 0 HA LYS A 36 3.759 -23.259 -17.032 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.173 -23.463 -14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.565 -24.804 -15.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.769 -22.933 -16.225 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.061 -24.456 -15.410 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.823 -25.657 -17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.532 -24.134 -18.027 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.004 -23.783 -18.219 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.272 -25.333 -17.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.406 -25.516 -19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.087 -26.416 -19.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.828 -24.914 -20.015 1.00 0.00 H new ATOM 592 N PHE A 37 2.778 -22.214 -14.027 1.00 0.00 N ATOM 593 CA PHE A 37 1.616 -22.075 -13.118 1.00 0.00 C ATOM 594 C PHE A 37 1.405 -23.354 -12.271 1.00 0.00 C ATOM 595 O PHE A 37 0.598 -23.382 -11.333 1.00 0.00 O ATOM 596 CB PHE A 37 0.339 -21.710 -13.910 1.00 0.00 C ATOM 597 CG PHE A 37 -0.833 -21.279 -13.054 1.00 0.00 C ATOM 598 CD1 PHE A 37 -0.956 -19.960 -12.642 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.811 -22.187 -12.669 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.025 -19.555 -11.864 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.881 -21.787 -11.891 1.00 0.00 C ATOM 602 CZ PHE A 37 -2.988 -20.470 -11.489 1.00 0.00 C ATOM 0 H PHE A 37 3.639 -21.818 -13.651 1.00 0.00 H new ATOM 0 HA PHE A 37 1.828 -21.259 -12.427 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.577 -20.907 -14.607 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.039 -22.572 -14.506 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.206 -19.239 -12.933 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.734 -23.218 -12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.106 -18.525 -11.550 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.633 -22.504 -11.597 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.824 -20.156 -10.882 1.00 0.00 H new ATOM 612 N VAL A 38 2.170 -24.401 -12.587 1.00 0.00 N ATOM 613 CA VAL A 38 2.009 -25.727 -11.972 1.00 0.00 C ATOM 614 C VAL A 38 3.376 -26.345 -11.613 1.00 0.00 C ATOM 615 O VAL A 38 4.422 -25.828 -12.000 1.00 0.00 O ATOM 616 CB VAL A 38 1.247 -26.690 -12.902 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.160 -26.174 -13.166 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.999 -26.874 -14.211 1.00 0.00 C ATOM 0 H VAL A 38 2.920 -24.357 -13.277 1.00 0.00 H new ATOM 0 HA VAL A 38 1.430 -25.584 -11.060 1.00 0.00 H new ATOM 0 HB VAL A 38 1.173 -27.659 -12.408 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.684 -26.867 -13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.700 -26.091 -12.223 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.105 -25.194 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.446 -27.557 -14.855 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.104 -25.910 -14.709 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.987 -27.287 -14.008 1.00 0.00 H new ATOM 628 N THR A 39 3.362 -27.461 -10.885 1.00 0.00 N ATOM 629 CA THR A 39 4.614 -28.129 -10.489 1.00 0.00 C ATOM 630 C THR A 39 5.534 -28.431 -11.692 1.00 0.00 C ATOM 631 O THR A 39 5.246 -29.282 -12.531 1.00 0.00 O ATOM 632 CB THR A 39 4.325 -29.445 -9.744 1.00 0.00 C ATOM 633 OG1 THR A 39 3.471 -29.185 -8.623 1.00 0.00 O ATOM 634 CG2 THR A 39 5.620 -30.076 -9.255 1.00 0.00 C ATOM 0 H THR A 39 2.513 -27.921 -10.558 1.00 0.00 H new ATOM 0 HA THR A 39 5.130 -27.431 -9.830 1.00 0.00 H new ATOM 0 HB THR A 39 3.834 -30.134 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.592 -28.891 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.397 -31.005 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.267 -30.286 -10.107 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.126 -29.389 -8.576 1.00 0.00 H new ATOM 642 N GLU A 40 6.640 -27.691 -11.777 1.00 0.00 N ATOM 643 CA GLU A 40 7.669 -27.918 -12.806 1.00 0.00 C ATOM 644 C GLU A 40 8.995 -28.380 -12.174 1.00 0.00 C ATOM 645 O GLU A 40 9.357 -27.938 -11.085 1.00 0.00 O ATOM 646 CB GLU A 40 7.892 -26.647 -13.629 1.00 0.00 C ATOM 647 CG GLU A 40 8.736 -26.848 -14.880 1.00 0.00 C ATOM 648 CD GLU A 40 8.238 -28.011 -15.692 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.326 -29.120 -15.222 1.00 0.00 O ATOM 650 OE2 GLU A 40 7.670 -27.783 -16.734 1.00 0.00 O ATOM 0 H GLU A 40 6.852 -26.921 -11.142 1.00 0.00 H new ATOM 0 HA GLU A 40 7.313 -28.709 -13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.923 -26.243 -13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.372 -25.899 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.714 -25.942 -15.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.775 -27.017 -14.597 1.00 0.00 H new ATOM 657 N ARG A 41 9.730 -29.262 -12.861 1.00 0.00 N ATOM 658 CA ARG A 41 11.022 -29.739 -12.352 1.00 0.00 C ATOM 659 C ARG A 41 11.873 -28.571 -11.836 1.00 0.00 C ATOM 660 O ARG A 41 12.336 -28.584 -10.701 1.00 0.00 O ATOM 661 CB ARG A 41 11.775 -30.569 -13.382 1.00 0.00 C ATOM 662 CG ARG A 41 13.111 -31.119 -12.906 1.00 0.00 C ATOM 663 CD ARG A 41 13.805 -31.982 -13.897 1.00 0.00 C ATOM 664 NE ARG A 41 15.092 -32.494 -13.452 1.00 0.00 N ATOM 665 CZ ARG A 41 15.866 -33.337 -14.162 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.474 -33.795 -15.331 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.022 -33.711 -13.642 1.00 0.00 N ATOM 0 H ARG A 41 9.457 -29.657 -13.761 1.00 0.00 H new ATOM 0 HA ARG A 41 10.815 -30.401 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.143 -31.403 -13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.945 -29.956 -14.267 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.763 -30.284 -12.649 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.950 -31.692 -11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.158 -32.824 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.952 -31.414 -14.816 1.00 0.00 H new ATOM 0 HE ARG A 41 15.432 -32.194 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.571 -33.512 -15.713 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.073 -34.433 -15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.306 -33.362 -12.727 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.630 -34.349 -14.156 1.00 0.00 H new ATOM 681 N GLU A 42 12.041 -27.545 -12.667 1.00 0.00 N ATOM 682 CA GLU A 42 12.863 -26.380 -12.310 1.00 0.00 C ATOM 683 C GLU A 42 12.249 -25.608 -11.122 1.00 0.00 C ATOM 684 O GLU A 42 12.957 -24.998 -10.325 1.00 0.00 O ATOM 685 CB GLU A 42 13.027 -25.454 -13.516 1.00 0.00 C ATOM 686 CG GLU A 42 13.913 -26.011 -14.621 1.00 0.00 C ATOM 687 CD GLU A 42 13.843 -25.160 -15.859 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.019 -24.278 -15.905 1.00 0.00 O ATOM 689 OE2 GLU A 42 14.685 -25.315 -16.711 1.00 0.00 O ATOM 0 H GLU A 42 11.620 -27.492 -13.595 1.00 0.00 H new ATOM 0 HA GLU A 42 13.846 -26.742 -12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.042 -25.239 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.443 -24.506 -13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.944 -26.064 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.604 -27.029 -14.859 1.00 0.00 H new ATOM 696 N TYR A 43 10.923 -25.661 -11.021 1.00 0.00 N ATOM 697 CA TYR A 43 10.166 -24.936 -9.991 1.00 0.00 C ATOM 698 C TYR A 43 10.394 -25.528 -8.586 1.00 0.00 C ATOM 699 O TYR A 43 10.289 -24.818 -7.587 1.00 0.00 O ATOM 700 CB TYR A 43 8.673 -24.946 -10.326 1.00 0.00 C ATOM 701 CG TYR A 43 7.859 -23.953 -9.526 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.463 -22.864 -8.915 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.487 -24.107 -9.386 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.724 -21.954 -8.182 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.738 -23.204 -8.657 1.00 0.00 C ATOM 706 CZ TYR A 43 6.360 -22.129 -8.056 1.00 0.00 C ATOM 707 OH TYR A 43 5.618 -21.226 -7.330 1.00 0.00 O ATOM 0 H TYR A 43 10.337 -26.209 -11.651 1.00 0.00 H new ATOM 0 HA TYR A 43 10.530 -23.908 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.547 -24.733 -11.387 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.279 -25.947 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.529 -22.724 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.997 -24.947 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.210 -21.112 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.671 -23.339 -8.558 1.00 0.00 H new ATOM 0 HH TYR A 43 4.676 -21.293 -7.590 1.00 0.00 H new ATOM 717 N TYR A 44 10.704 -26.829 -8.508 1.00 0.00 N ATOM 718 CA TYR A 44 10.977 -27.471 -7.205 1.00 0.00 C ATOM 719 C TYR A 44 12.358 -28.156 -7.133 1.00 0.00 C ATOM 720 O TYR A 44 12.698 -28.741 -6.108 1.00 0.00 O ATOM 721 CB TYR A 44 9.883 -28.495 -6.892 1.00 0.00 C ATOM 722 CG TYR A 44 9.931 -29.729 -7.765 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.830 -30.753 -7.504 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.076 -29.867 -8.848 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.878 -31.882 -8.299 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.115 -30.991 -9.650 1.00 0.00 C ATOM 727 CZ TYR A 44 10.017 -31.997 -9.372 1.00 0.00 C ATOM 728 OH TYR A 44 10.059 -33.120 -10.165 1.00 0.00 O ATOM 0 H TYR A 44 10.773 -27.452 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 44 10.982 -26.673 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.969 -28.797 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.909 -28.018 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.504 -30.666 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.367 -29.082 -9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.585 -32.670 -8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.443 -31.082 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 44 9.388 -33.044 -10.875 1.00 0.00 H new ATOM 738 N GLU A 45 13.148 -28.081 -8.206 1.00 0.00 N ATOM 739 CA GLU A 45 14.489 -28.699 -8.234 1.00 0.00 C ATOM 740 C GLU A 45 15.375 -28.244 -7.056 1.00 0.00 C ATOM 741 O GLU A 45 15.972 -29.068 -6.360 1.00 0.00 O ATOM 742 CB GLU A 45 15.187 -28.384 -9.560 1.00 0.00 C ATOM 743 CG GLU A 45 16.583 -28.977 -9.691 1.00 0.00 C ATOM 744 CD GLU A 45 17.165 -28.705 -11.051 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.491 -28.110 -11.857 1.00 0.00 O ATOM 746 OE2 GLU A 45 18.322 -28.994 -11.248 1.00 0.00 O ATOM 0 H GLU A 45 12.890 -27.601 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 45 14.346 -29.775 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.570 -28.754 -10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.253 -27.302 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.233 -28.556 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.542 -30.053 -9.519 1.00 0.00 H new ATOM 753 N ASP A 46 15.469 -26.935 -6.843 1.00 0.00 N ATOM 754 CA ASP A 46 16.278 -26.394 -5.743 1.00 0.00 C ATOM 755 C ASP A 46 15.405 -25.789 -4.631 1.00 0.00 C ATOM 756 O ASP A 46 15.900 -25.455 -3.548 1.00 0.00 O ATOM 757 CB ASP A 46 17.255 -25.340 -6.273 1.00 0.00 C ATOM 758 CG ASP A 46 18.272 -25.872 -7.273 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.888 -26.873 -6.990 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.314 -25.370 -8.371 1.00 0.00 O ATOM 0 H ASP A 46 15.000 -26.229 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 46 16.837 -27.224 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.686 -24.539 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.788 -24.900 -5.430 1.00 0.00 H new ATOM 765 N PHE A 47 14.111 -25.662 -4.897 1.00 0.00 N ATOM 766 CA PHE A 47 13.192 -24.978 -3.981 1.00 0.00 C ATOM 767 C PHE A 47 12.727 -25.896 -2.834 1.00 0.00 C ATOM 768 O PHE A 47 12.771 -27.122 -2.936 1.00 0.00 O ATOM 769 CB PHE A 47 11.981 -24.448 -4.751 1.00 0.00 C ATOM 770 CG PHE A 47 12.290 -23.268 -5.627 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.818 -23.449 -6.897 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.053 -21.975 -5.186 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.103 -22.365 -7.704 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.336 -20.890 -5.990 1.00 0.00 C ATOM 775 CZ PHE A 47 12.862 -21.084 -7.252 1.00 0.00 C ATOM 0 H PHE A 47 13.668 -26.024 -5.742 1.00 0.00 H new ATOM 0 HA PHE A 47 13.735 -24.145 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.574 -25.250 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.204 -24.167 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.008 -24.449 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.642 -21.815 -4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.515 -22.520 -8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.146 -19.889 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.084 -20.236 -7.883 1.00 0.00 H new ATOM 785 N GLY A 48 12.272 -25.288 -1.740 1.00 0.00 N ATOM 786 CA GLY A 48 11.766 -26.062 -0.609 1.00 0.00 C ATOM 787 C GLY A 48 11.854 -25.323 0.723 1.00 0.00 C ATOM 788 O GLY A 48 10.994 -25.486 1.590 1.00 0.00 O ATOM 0 H GLY A 48 12.243 -24.276 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.727 -26.330 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.327 -26.993 -0.536 1.00 0.00 H new ATOM 792 N TYR A 49 12.887 -24.505 0.889 1.00 0.00 N ATOM 793 CA TYR A 49 13.137 -23.823 2.170 1.00 0.00 C ATOM 794 C TYR A 49 13.229 -22.300 1.995 1.00 0.00 C ATOM 795 O TYR A 49 13.816 -21.811 1.034 1.00 0.00 O ATOM 796 CB TYR A 49 14.419 -24.362 2.819 1.00 0.00 C ATOM 797 CG TYR A 49 14.319 -25.818 3.249 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.593 -26.855 2.359 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.939 -26.153 4.545 1.00 0.00 C ATOM 800 CE1 TYR A 49 14.495 -28.178 2.751 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.838 -27.473 4.941 1.00 0.00 C ATOM 802 CZ TYR A 49 14.116 -28.480 4.042 1.00 0.00 C ATOM 803 OH TYR A 49 14.013 -29.795 4.436 1.00 0.00 O ATOM 0 H TYR A 49 13.568 -24.293 0.160 1.00 0.00 H new ATOM 0 HA TYR A 49 12.290 -24.030 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.245 -24.256 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.661 -23.751 3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.887 -26.622 1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.719 -25.368 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.714 -28.970 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 49 13.542 -27.715 5.951 1.00 0.00 H new ATOM 0 HH TYR A 49 13.067 -30.038 4.522 1.00 0.00 H new ATOM 813 N GLY A 50 12.653 -21.562 2.942 1.00 0.00 N ATOM 814 CA GLY A 50 12.707 -20.102 2.912 1.00 0.00 C ATOM 815 C GLY A 50 11.320 -19.475 2.989 1.00 0.00 C ATOM 816 O GLY A 50 10.325 -20.195 3.034 1.00 0.00 O ATOM 0 H GLY A 50 12.145 -21.950 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.312 -19.745 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.201 -19.777 1.996 1.00 0.00 H new ATOM 820 N GLU A 51 11.255 -18.141 2.991 1.00 0.00 N ATOM 821 CA GLU A 51 9.971 -17.413 3.045 1.00 0.00 C ATOM 822 C GLU A 51 8.905 -18.078 2.164 1.00 0.00 C ATOM 823 O GLU A 51 7.855 -18.492 2.644 1.00 0.00 O ATOM 824 CB GLU A 51 10.162 -15.955 2.618 1.00 0.00 C ATOM 825 CG GLU A 51 10.610 -15.026 3.737 1.00 0.00 C ATOM 826 CD GLU A 51 9.451 -14.614 4.602 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.153 -15.318 5.538 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.935 -13.541 4.397 1.00 0.00 O ATOM 0 H GLU A 51 12.075 -17.536 2.956 1.00 0.00 H new ATOM 0 HA GLU A 51 9.623 -17.443 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.898 -15.918 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.223 -15.583 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.363 -15.525 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.081 -14.140 3.311 1.00 0.00 H new ATOM 835 N CYS A 52 9.189 -18.167 0.872 1.00 0.00 N ATOM 836 CA CYS A 52 8.396 -18.987 -0.046 1.00 0.00 C ATOM 837 C CYS A 52 9.327 -19.884 -0.872 1.00 0.00 C ATOM 838 O CYS A 52 9.376 -19.789 -2.098 1.00 0.00 O ATOM 839 CB CYS A 52 7.711 -17.947 -0.933 1.00 0.00 C ATOM 840 SG CYS A 52 6.632 -16.799 -0.045 1.00 0.00 S ATOM 0 H CYS A 52 9.968 -17.679 0.429 1.00 0.00 H new ATOM 0 HA CYS A 52 7.688 -19.650 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.476 -17.375 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.124 -18.465 -1.692 1.00 0.00 H new ATOM 0 HG CYS A 52 7.348 -15.853 0.486 1.00 0.00 H new ATOM 846 N PHE A 53 10.103 -20.726 -0.178 1.00 0.00 N ATOM 847 CA PHE A 53 11.060 -21.646 -0.828 1.00 0.00 C ATOM 848 C PHE A 53 12.244 -20.897 -1.478 1.00 0.00 C ATOM 849 O PHE A 53 13.030 -21.493 -2.216 1.00 0.00 O ATOM 850 CB PHE A 53 10.357 -22.509 -1.895 1.00 0.00 C ATOM 851 CG PHE A 53 9.243 -23.401 -1.390 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.738 -23.269 -0.106 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.695 -24.377 -2.219 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.715 -24.086 0.336 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.675 -25.192 -1.776 1.00 0.00 C ATOM 856 CZ PHE A 53 7.185 -25.046 -0.499 1.00 0.00 C ATOM 0 H PHE A 53 10.090 -20.793 0.840 1.00 0.00 H new ATOM 0 HA PHE A 53 11.454 -22.287 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.949 -21.848 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.106 -23.134 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.148 -22.520 0.556 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.074 -24.497 -3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.330 -23.972 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.261 -25.944 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.385 -25.683 -0.151 1.00 0.00 H new ATOM 866 N ASN A 54 12.381 -19.605 -1.183 1.00 0.00 N ATOM 867 CA ASN A 54 13.397 -18.766 -1.828 1.00 0.00 C ATOM 868 C ASN A 54 14.613 -18.509 -0.916 1.00 0.00 C ATOM 869 O ASN A 54 14.611 -18.867 0.262 1.00 0.00 O ATOM 870 CB ASN A 54 12.803 -17.446 -2.284 1.00 0.00 C ATOM 871 CG ASN A 54 12.357 -16.561 -1.154 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.132 -16.242 -0.244 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.092 -16.227 -1.163 1.00 0.00 N ATOM 0 H ASN A 54 11.802 -19.114 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 54 13.749 -19.320 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.542 -16.912 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.952 -17.646 -2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.704 -15.679 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.494 -16.515 -1.937 1.00 0.00 H new ATOM 880 N SER A 55 15.645 -17.871 -1.475 1.00 0.00 N ATOM 881 CA SER A 55 16.863 -17.523 -0.719 1.00 0.00 C ATOM 882 C SER A 55 17.024 -15.997 -0.608 1.00 0.00 C ATOM 883 O SER A 55 18.129 -15.463 -0.714 1.00 0.00 O ATOM 884 CB SER A 55 18.082 -18.136 -1.378 1.00 0.00 C ATOM 885 OG SER A 55 18.220 -17.733 -2.712 1.00 0.00 O ATOM 0 H SER A 55 15.666 -17.582 -2.453 1.00 0.00 H new ATOM 0 HA SER A 55 16.767 -17.928 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.975 -17.854 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.009 -19.223 -1.334 1.00 0.00 H new ATOM 0 HG SER A 55 17.382 -17.900 -3.192 1.00 0.00 H new ATOM 891 N THR A 56 15.902 -15.312 -0.414 1.00 0.00 N ATOM 892 CA THR A 56 15.873 -13.854 -0.223 1.00 0.00 C ATOM 893 C THR A 56 15.445 -13.456 1.203 1.00 0.00 C ATOM 894 O THR A 56 14.896 -14.266 1.949 1.00 0.00 O ATOM 895 CB THR A 56 14.925 -13.180 -1.230 1.00 0.00 C ATOM 896 OG1 THR A 56 13.575 -13.581 -0.963 1.00 0.00 O ATOM 897 CG2 THR A 56 15.294 -13.572 -2.653 1.00 0.00 C ATOM 0 H THR A 56 14.980 -15.748 -0.384 1.00 0.00 H new ATOM 0 HA THR A 56 16.894 -13.509 -0.388 1.00 0.00 H new ATOM 0 HB THR A 56 15.017 -12.099 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.572 -14.480 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.613 -13.086 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.316 -13.257 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.217 -14.654 -2.764 1.00 0.00 H new ATOM 905 N GLU A 57 15.701 -12.195 1.566 1.00 0.00 N ATOM 906 CA GLU A 57 15.389 -11.671 2.908 1.00 0.00 C ATOM 907 C GLU A 57 13.875 -11.523 3.177 1.00 0.00 C ATOM 908 O GLU A 57 13.137 -10.942 2.372 1.00 0.00 O ATOM 909 CB GLU A 57 16.081 -10.322 3.111 1.00 0.00 C ATOM 910 CG GLU A 57 15.910 -9.730 4.503 1.00 0.00 C ATOM 911 CD GLU A 57 16.647 -8.425 4.636 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.263 -8.012 3.683 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.503 -7.787 5.652 1.00 0.00 O ATOM 0 H GLU A 57 16.128 -11.508 0.944 1.00 0.00 H new ATOM 0 HA GLU A 57 15.762 -12.406 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.145 -10.439 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.693 -9.614 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.851 -9.574 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.278 -10.435 5.248 1.00 0.00 H new ATOM 920 N SER A 58 13.423 -12.072 4.303 1.00 0.00 N ATOM 921 CA SER A 58 12.035 -11.903 4.756 1.00 0.00 C ATOM 922 C SER A 58 11.678 -10.414 4.919 1.00 0.00 C ATOM 923 O SER A 58 12.410 -9.660 5.567 1.00 0.00 O ATOM 924 CB SER A 58 11.822 -12.646 6.061 1.00 0.00 C ATOM 925 OG SER A 58 10.532 -12.452 6.572 1.00 0.00 O ATOM 0 H SER A 58 13.998 -12.641 4.924 1.00 0.00 H new ATOM 0 HA SER A 58 11.375 -12.321 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.993 -13.711 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.556 -12.310 6.793 1.00 0.00 H new ATOM 0 HG SER A 58 10.380 -13.068 7.319 1.00 0.00 H new ATOM 931 N GLU A 59 10.544 -9.992 4.351 1.00 0.00 N ATOM 932 CA GLU A 59 10.055 -8.617 4.554 1.00 0.00 C ATOM 933 C GLU A 59 8.703 -8.550 5.296 1.00 0.00 C ATOM 934 O GLU A 59 8.488 -7.663 6.130 1.00 0.00 O ATOM 935 CB GLU A 59 9.936 -7.903 3.205 1.00 0.00 C ATOM 936 CG GLU A 59 11.261 -7.696 2.485 1.00 0.00 C ATOM 937 CD GLU A 59 11.056 -7.081 1.129 1.00 0.00 C ATOM 938 OE1 GLU A 59 9.925 -6.878 0.755 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.028 -6.712 0.512 1.00 0.00 O ATOM 0 H GLU A 59 9.952 -10.570 3.755 1.00 0.00 H new ATOM 0 HA GLU A 59 10.788 -8.118 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.272 -8.479 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.466 -6.932 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.906 -7.054 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.773 -8.652 2.379 1.00 0.00 H new ATOM 946 N VAL A 60 7.801 -9.492 5.016 1.00 0.00 N ATOM 947 CA VAL A 60 6.481 -9.519 5.673 1.00 0.00 C ATOM 948 C VAL A 60 6.120 -10.927 6.213 1.00 0.00 C ATOM 949 O VAL A 60 4.946 -11.266 6.385 1.00 0.00 O ATOM 950 CB VAL A 60 5.374 -9.053 4.711 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.548 -7.580 4.371 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.380 -9.895 3.444 1.00 0.00 C ATOM 0 H VAL A 60 7.953 -10.244 4.344 1.00 0.00 H new ATOM 0 HA VAL A 60 6.548 -8.833 6.517 1.00 0.00 H new ATOM 0 HB VAL A 60 4.412 -9.181 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.756 -7.268 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.496 -6.987 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.517 -7.428 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.591 -9.552 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.345 -9.797 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.208 -10.940 3.701 1.00 0.00 H new ATOM 962 N GLN A 61 7.156 -11.728 6.489 1.00 0.00 N ATOM 963 CA GLN A 61 7.030 -13.049 7.147 1.00 0.00 C ATOM 964 C GLN A 61 6.086 -14.023 6.409 1.00 0.00 C ATOM 965 O GLN A 61 5.162 -14.580 7.009 1.00 0.00 O ATOM 966 CB GLN A 61 6.536 -12.870 8.585 1.00 0.00 C ATOM 967 CG GLN A 61 7.512 -12.138 9.490 1.00 0.00 C ATOM 968 CD GLN A 61 8.732 -12.976 9.825 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.617 -14.162 10.148 1.00 0.00 O ATOM 970 NE2 GLN A 61 9.907 -12.363 9.755 1.00 0.00 N ATOM 0 H GLN A 61 8.119 -11.481 6.262 1.00 0.00 H new ATOM 0 HA GLN A 61 8.026 -13.492 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.593 -12.324 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.328 -13.851 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.831 -11.215 9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.005 -11.855 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.955 -11.381 9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.763 -12.874 9.973 1.00 0.00 H new ATOM 979 N CYS A 62 6.343 -14.266 5.123 1.00 0.00 N ATOM 980 CA CYS A 62 5.566 -15.256 4.361 1.00 0.00 C ATOM 981 C CYS A 62 5.692 -16.655 4.974 1.00 0.00 C ATOM 982 O CYS A 62 4.799 -17.489 4.818 1.00 0.00 O ATOM 983 CB CYS A 62 6.222 -15.211 2.982 1.00 0.00 C ATOM 984 SG CYS A 62 6.001 -13.650 2.096 1.00 0.00 S ATOM 0 H CYS A 62 7.075 -13.798 4.588 1.00 0.00 H new ATOM 0 HA CYS A 62 4.498 -15.040 4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.289 -15.402 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.816 -16.020 2.374 1.00 0.00 H new ATOM 0 HG CYS A 62 7.151 -13.058 1.966 1.00 0.00 H new ATOM 990 N GLU A 63 6.793 -16.904 5.693 1.00 0.00 N ATOM 991 CA GLU A 63 6.981 -18.188 6.392 1.00 0.00 C ATOM 992 C GLU A 63 5.716 -18.596 7.179 1.00 0.00 C ATOM 993 O GLU A 63 5.391 -19.780 7.298 1.00 0.00 O ATOM 994 CB GLU A 63 8.183 -18.108 7.336 1.00 0.00 C ATOM 995 CG GLU A 63 8.481 -19.400 8.084 1.00 0.00 C ATOM 996 CD GLU A 63 9.710 -19.263 8.939 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.290 -18.204 8.949 1.00 0.00 O ATOM 998 OE2 GLU A 63 10.006 -20.180 9.670 1.00 0.00 O ATOM 0 H GLU A 63 7.562 -16.243 5.808 1.00 0.00 H new ATOM 0 HA GLU A 63 7.168 -18.952 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.064 -17.824 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.007 -17.314 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.628 -19.666 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.620 -20.212 7.371 1.00 0.00 H new ATOM 1005 N LEU A 64 5.019 -17.607 7.724 1.00 0.00 N ATOM 1006 CA LEU A 64 3.821 -17.829 8.533 1.00 0.00 C ATOM 1007 C LEU A 64 2.602 -17.253 7.796 1.00 0.00 C ATOM 1008 O LEU A 64 1.788 -17.996 7.247 1.00 0.00 O ATOM 1009 CB LEU A 64 3.977 -17.191 9.919 1.00 0.00 C ATOM 1010 CG LEU A 64 5.118 -17.758 10.773 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.232 -16.977 12.076 1.00 0.00 C ATOM 1012 CD2 LEU A 64 4.865 -19.233 11.048 1.00 0.00 C ATOM 0 H LEU A 64 5.267 -16.623 7.619 1.00 0.00 H new ATOM 0 HA LEU A 64 3.676 -18.899 8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.136 -16.120 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.041 -17.312 10.465 1.00 0.00 H new ATOM 0 HG LEU A 64 6.060 -17.660 10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.045 -17.387 12.676 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.436 -15.929 11.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.297 -17.055 12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.677 -19.634 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.922 -19.347 11.582 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.815 -19.776 10.104 1.00 0.00 H new ATOM 1024 N ILE A 65 2.503 -15.918 7.791 1.00 0.00 N ATOM 1025 CA ILE A 65 1.406 -15.193 7.134 1.00 0.00 C ATOM 1026 C ILE A 65 1.799 -13.722 6.881 1.00 0.00 C ATOM 1027 O ILE A 65 2.467 -13.090 7.702 1.00 0.00 O ATOM 1028 CB ILE A 65 0.114 -15.238 7.970 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -1.060 -14.671 7.169 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.297 -14.470 9.271 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.415 -15.039 7.730 1.00 0.00 C ATOM 0 H ILE A 65 3.183 -15.307 8.244 1.00 0.00 H new ATOM 0 HA ILE A 65 1.220 -15.689 6.182 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.107 -16.277 8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.974 -13.585 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.993 -15.028 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.625 -14.511 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.108 -14.917 9.846 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.540 -13.431 9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.197 -14.601 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.523 -16.124 7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.503 -14.658 8.747 1.00 0.00 H new ATOM 1043 N THR A 66 1.385 -13.180 5.735 1.00 0.00 N ATOM 1044 CA THR A 66 1.789 -11.823 5.319 1.00 0.00 C ATOM 1045 C THR A 66 0.714 -10.772 5.669 1.00 0.00 C ATOM 1046 O THR A 66 0.991 -9.577 5.755 1.00 0.00 O ATOM 1047 CB THR A 66 2.075 -11.763 3.806 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.866 -12.015 3.079 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.121 -12.796 3.419 1.00 0.00 C ATOM 0 H THR A 66 0.770 -13.654 5.074 1.00 0.00 H new ATOM 0 HA THR A 66 2.701 -11.591 5.869 1.00 0.00 H new ATOM 0 HB THR A 66 2.454 -10.770 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.048 -11.975 2.117 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.310 -12.739 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.046 -12.598 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.759 -13.793 3.671 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.518 -11.231 5.883 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.674 -10.340 5.880 1.00 0.00 C ATOM 1059 C GLY A 67 -2.403 -10.264 4.538 1.00 0.00 C ATOM 1060 O GLY A 67 -3.545 -9.802 4.471 1.00 0.00 O ATOM 0 H GLY A 67 -0.740 -12.211 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.377 -10.672 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.348 -9.339 6.161 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.747 -10.728 3.474 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.384 -10.872 2.159 1.00 0.00 C ATOM 1066 C GLU A 68 -2.765 -12.324 1.818 1.00 0.00 C ATOM 1067 O GLU A 68 -3.531 -12.564 0.885 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.460 -10.316 1.073 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.211 -8.817 1.167 1.00 0.00 C ATOM 1070 CD GLU A 68 -0.540 -8.297 -0.074 1.00 0.00 C ATOM 1071 OE1 GLU A 68 0.498 -8.805 -0.422 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -1.120 -7.467 -0.735 1.00 0.00 O ATOM 0 H GLU A 68 -0.768 -11.013 3.495 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.314 -10.305 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.503 -10.835 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.890 -10.540 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.157 -8.297 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.589 -8.603 2.036 1.00 0.00 H new ATOM 1079 N PHE A 69 -2.222 -13.286 2.563 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.520 -14.711 2.330 1.00 0.00 C ATOM 1081 C PHE A 69 -3.773 -15.186 3.094 1.00 0.00 C ATOM 1082 O PHE A 69 -3.971 -16.388 3.291 1.00 0.00 O ATOM 1083 CB PHE A 69 -1.316 -15.569 2.724 1.00 0.00 C ATOM 1084 CG PHE A 69 -0.110 -15.356 1.854 1.00 0.00 C ATOM 1085 CD1 PHE A 69 -0.235 -14.773 0.602 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.151 -15.738 2.286 1.00 0.00 C ATOM 1087 CE1 PHE A 69 0.874 -14.577 -0.199 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.261 -15.543 1.488 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.122 -14.962 0.244 1.00 0.00 C ATOM 0 H PHE A 69 -1.575 -13.112 3.332 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.726 -14.825 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.049 -15.352 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.601 -16.620 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.209 -14.469 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.266 -16.194 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.763 -14.122 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.237 -15.845 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.989 -14.809 -0.382 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.605 -14.240 3.526 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.797 -14.541 4.331 1.00 0.00 C ATOM 1101 C ASP A 70 -6.823 -15.376 3.522 1.00 0.00 C ATOM 1102 O ASP A 70 -7.369 -14.903 2.524 1.00 0.00 O ATOM 1103 CB ASP A 70 -6.440 -13.246 4.831 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.667 -13.453 5.710 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -8.131 -14.565 5.796 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -8.034 -12.537 6.407 1.00 0.00 O ATOM 0 H ASP A 70 -4.477 -13.247 3.331 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.484 -15.134 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.697 -12.679 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.722 -12.639 3.971 1.00 0.00 H new ATOM 1111 N PRO A 71 -7.106 -16.630 3.952 1.00 0.00 N ATOM 1112 CA PRO A 71 -8.112 -17.508 3.300 1.00 0.00 C ATOM 1113 C PRO A 71 -9.516 -16.883 3.100 1.00 0.00 C ATOM 1114 O PRO A 71 -10.245 -17.284 2.189 1.00 0.00 O ATOM 1115 CB PRO A 71 -8.174 -18.717 4.239 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.831 -18.756 4.883 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.448 -17.315 5.094 1.00 0.00 C ATOM 0 HA PRO A 71 -7.813 -17.735 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.966 -18.605 4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.378 -19.636 3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.864 -19.296 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.106 -19.267 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.805 -16.938 6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.367 -17.177 5.080 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.903 -15.918 3.934 1.00 0.00 N ATOM 1126 CA LYS A 72 -11.221 -15.273 3.801 1.00 0.00 C ATOM 1127 C LYS A 72 -11.267 -14.357 2.560 1.00 0.00 C ATOM 1128 O LYS A 72 -12.330 -14.143 1.975 1.00 0.00 O ATOM 1129 CB LYS A 72 -11.555 -14.473 5.062 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.831 -15.325 6.293 1.00 0.00 C ATOM 1131 CD LYS A 72 -12.153 -14.460 7.502 1.00 0.00 C ATOM 1132 CE LYS A 72 -12.428 -15.311 8.735 1.00 0.00 C ATOM 1133 NZ LYS A 72 -12.712 -14.478 9.934 1.00 0.00 N ATOM 0 H LYS A 72 -9.334 -15.564 4.703 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.968 -16.057 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.727 -13.799 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.428 -13.851 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.664 -15.998 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.963 -15.948 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.320 -13.786 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.022 -13.838 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.276 -15.968 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.568 -15.951 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.894 -15.096 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.893 -13.869 10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.548 -13.886 9.755 1.00 0.00 H new ATOM 1147 N LEU A 73 -10.114 -13.812 2.173 1.00 0.00 N ATOM 1148 CA LEU A 73 -10.047 -12.841 1.067 1.00 0.00 C ATOM 1149 C LEU A 73 -9.479 -13.473 -0.216 1.00 0.00 C ATOM 1150 O LEU A 73 -9.702 -12.962 -1.314 1.00 0.00 O ATOM 1151 CB LEU A 73 -9.203 -11.631 1.482 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.721 -10.859 2.702 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.756 -9.737 3.060 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -11.105 -10.305 2.402 1.00 0.00 C ATOM 0 H LEU A 73 -9.213 -14.022 2.604 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.064 -12.515 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.189 -11.971 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.141 -10.945 0.637 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.790 -11.533 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.133 -9.195 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.778 -10.159 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.665 -9.053 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.473 -9.756 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.050 -9.634 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.785 -11.127 2.177 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.745 -14.573 -0.078 1.00 0.00 N ATOM 1167 CA LEU A 74 -8.122 -15.237 -1.231 1.00 0.00 C ATOM 1168 C LEU A 74 -8.964 -16.452 -1.671 1.00 0.00 C ATOM 1169 O LEU A 74 -9.032 -17.457 -0.957 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.690 -15.665 -0.890 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.799 -15.984 -2.097 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -4.332 -15.922 -1.694 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -6.150 -17.361 -2.641 1.00 0.00 C ATOM 0 H LEU A 74 -8.564 -15.027 0.817 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.081 -14.531 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.219 -14.871 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.734 -16.545 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.970 -15.244 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.707 -16.150 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.097 -14.922 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.140 -16.650 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.516 -17.586 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.991 -18.110 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.195 -17.375 -2.949 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.618 -16.376 -2.851 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.412 -17.492 -3.400 1.00 0.00 C ATOM 1187 C PRO A 75 -9.550 -18.674 -3.874 1.00 0.00 C ATOM 1188 O PRO A 75 -8.483 -18.492 -4.462 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.180 -16.853 -4.561 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.310 -15.727 -5.006 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.676 -15.192 -3.750 1.00 0.00 C ATOM 0 HA PRO A 75 -11.062 -17.933 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.349 -17.567 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.159 -16.496 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.554 -16.070 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.892 -14.956 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.683 -14.788 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.268 -14.387 -3.314 1.00 0.00 H new ATOM 1199 N TYR A 76 -10.015 -19.897 -3.622 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.190 -21.084 -3.862 1.00 0.00 C ATOM 1201 C TYR A 76 -9.734 -21.965 -4.999 1.00 0.00 C ATOM 1202 O TYR A 76 -10.719 -22.684 -4.842 1.00 0.00 O ATOM 1203 CB TYR A 76 -9.074 -21.909 -2.578 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.296 -21.224 -1.477 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.917 -21.103 -1.551 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.942 -20.702 -0.366 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -6.200 -20.478 -0.549 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -8.236 -20.075 0.643 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.863 -19.965 0.547 1.00 0.00 C ATOM 1210 OH TYR A 76 -6.154 -19.344 1.549 1.00 0.00 O ATOM 0 H TYR A 76 -10.947 -20.093 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.206 -20.731 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.075 -22.138 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.594 -22.860 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.394 -21.504 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.016 -20.787 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.126 -20.391 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.755 -19.674 1.501 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.351 -18.928 1.172 1.00 0.00 H new ATOM 1220 N ASP A 77 -9.090 -21.875 -6.159 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.345 -22.799 -7.269 1.00 0.00 C ATOM 1222 C ASP A 77 -8.432 -24.029 -7.123 1.00 0.00 C ATOM 1223 O ASP A 77 -7.520 -24.017 -6.301 1.00 0.00 O ATOM 1224 CB ASP A 77 -9.118 -22.114 -8.619 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.860 -22.755 -9.784 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.451 -23.791 -9.588 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.962 -22.131 -10.812 1.00 0.00 O ATOM 0 H ASP A 77 -8.383 -21.168 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.387 -23.116 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.424 -21.071 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.050 -22.117 -8.839 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.658 -25.072 -7.918 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.936 -26.344 -7.746 1.00 0.00 C ATOM 1234 C LYS A 78 -6.407 -26.149 -7.861 1.00 0.00 C ATOM 1235 O LYS A 78 -5.664 -26.310 -6.882 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.416 -27.370 -8.774 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.758 -28.738 -8.652 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.327 -29.718 -9.667 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.654 -31.078 -9.562 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.210 -32.051 -10.541 1.00 0.00 N ATOM 0 H LYS A 78 -9.330 -25.069 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.151 -26.715 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.495 -27.489 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.230 -26.979 -9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.683 -28.641 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.907 -29.127 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.400 -29.828 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.193 -29.321 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.583 -30.967 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.780 -31.468 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.724 -32.965 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.227 -32.177 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.068 -31.692 -11.507 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.949 -25.756 -9.050 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.512 -25.629 -9.321 1.00 0.00 C ATOM 1256 C ARG A 79 -3.929 -24.358 -8.689 1.00 0.00 C ATOM 1257 O ARG A 79 -2.798 -24.365 -8.192 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.203 -25.700 -10.810 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.410 -27.068 -11.441 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.213 -27.099 -12.913 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.414 -28.405 -13.521 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.454 -28.633 -14.848 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.346 -27.646 -15.708 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.630 -29.876 -15.262 1.00 0.00 N ATOM 0 H ARG A 79 -6.549 -25.520 -9.841 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.025 -26.484 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.830 -24.977 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.168 -25.396 -10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.722 -27.776 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.420 -27.411 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.899 -26.388 -13.374 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.202 -26.759 -13.139 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.533 -29.204 -12.899 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.230 -26.689 -15.374 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.378 -27.836 -16.710 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.731 -30.630 -14.583 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.665 -30.081 -16.261 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.699 -23.273 -8.724 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.320 -22.019 -8.059 1.00 0.00 C ATOM 1280 C LEU A 80 -4.020 -22.247 -6.566 1.00 0.00 C ATOM 1281 O LEU A 80 -2.920 -21.954 -6.088 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.430 -20.974 -8.227 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.167 -19.626 -7.545 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.002 -18.916 -8.222 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.425 -18.773 -7.602 1.00 0.00 C ATOM 0 H LEU A 80 -5.596 -23.233 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.410 -21.648 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.585 -20.800 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.359 -21.387 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.904 -19.793 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.823 -17.960 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.107 -19.534 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.241 -18.745 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.237 -17.815 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.704 -18.605 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.237 -19.287 -7.088 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.997 -22.804 -5.847 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.857 -23.052 -4.410 1.00 0.00 C ATOM 1299 C ALA A 81 -3.670 -23.962 -4.092 1.00 0.00 C ATOM 1300 O ALA A 81 -2.871 -23.645 -3.214 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.138 -23.644 -3.835 1.00 0.00 C ATOM 0 H ALA A 81 -5.895 -23.092 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.667 -22.087 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.010 -23.820 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.963 -22.949 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.359 -24.588 -4.334 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.540 -25.081 -4.818 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.477 -26.051 -4.521 1.00 0.00 C ATOM 1309 C TRP A 82 -1.088 -25.400 -4.564 1.00 0.00 C ATOM 1310 O TRP A 82 -0.381 -25.379 -3.565 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.536 -27.220 -5.507 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.362 -28.146 -5.405 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.447 -28.196 -4.397 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.980 -29.158 -6.346 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.484 -29.173 -4.651 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.177 -29.779 -5.843 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.506 -29.597 -7.567 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 0.817 -30.810 -6.512 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.864 -30.632 -8.237 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.264 -31.222 -7.725 1.00 0.00 C ATOM 0 H TRP A 82 -4.144 -25.334 -5.600 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.643 -26.422 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.451 -27.786 -5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.592 -26.827 -6.522 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.453 -27.559 -3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.275 -29.410 -4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.393 -29.140 -7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.706 -31.275 -6.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.261 -30.979 -9.180 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.735 -32.024 -8.274 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.718 -24.846 -5.716 1.00 0.00 N ATOM 1332 CA HIS A 83 0.667 -24.415 -5.947 1.00 0.00 C ATOM 1333 C HIS A 83 0.982 -23.090 -5.242 1.00 0.00 C ATOM 1334 O HIS A 83 2.057 -22.930 -4.671 1.00 0.00 O ATOM 1335 CB HIS A 83 0.942 -24.280 -7.449 1.00 0.00 C ATOM 1336 CG HIS A 83 0.880 -25.578 -8.191 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.261 -26.013 -8.834 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.814 -26.536 -8.392 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.022 -27.184 -9.399 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.228 -27.523 -9.145 1.00 0.00 N ATOM 0 H HIS A 83 -1.349 -24.684 -6.501 1.00 0.00 H new ATOM 0 HA HIS A 83 1.317 -25.182 -5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.218 -23.590 -7.881 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.928 -23.838 -7.591 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.148 -25.511 -8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.831 -26.526 -8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.730 -27.765 -9.972 1.00 0.00 H new ATOM 1345 N PHE A 84 0.042 -22.152 -5.261 1.00 0.00 N ATOM 1346 CA PHE A 84 0.259 -20.845 -4.629 1.00 0.00 C ATOM 1347 C PHE A 84 0.333 -20.945 -3.088 1.00 0.00 C ATOM 1348 O PHE A 84 1.232 -20.379 -2.463 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.834 -19.862 -5.068 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.647 -19.332 -6.478 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.516 -20.199 -7.559 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.610 -17.964 -6.719 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.352 -19.712 -8.842 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.445 -17.475 -8.003 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.316 -18.349 -9.064 1.00 0.00 C ATOM 0 H PHE A 84 -0.871 -22.265 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 84 1.227 -20.471 -4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.803 -20.356 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.855 -19.022 -4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.543 -21.266 -7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.711 -17.274 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.252 -20.397 -9.671 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.417 -16.409 -8.175 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.187 -17.968 -10.066 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.601 -21.674 -2.473 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.609 -21.839 -1.009 1.00 0.00 C ATOM 1367 C LYS A 85 0.610 -22.649 -0.520 1.00 0.00 C ATOM 1368 O LYS A 85 1.302 -22.241 0.411 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.904 -22.518 -0.558 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.044 -22.667 0.951 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.360 -23.334 1.321 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.476 -23.536 2.825 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.699 -24.300 3.192 1.00 0.00 N ATOM 0 H LYS A 85 -1.358 -22.158 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.550 -20.845 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.751 -21.944 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.960 -23.506 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.213 -23.257 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.986 -21.686 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.191 -22.723 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.436 -24.297 0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.595 -24.065 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.492 -22.566 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.739 -24.415 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.541 -23.783 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.672 -25.236 2.740 1.00 0.00 H new ATOM 1387 N GLU A 86 0.864 -23.785 -1.160 1.00 0.00 N ATOM 1388 CA GLU A 86 1.938 -24.706 -0.750 1.00 0.00 C ATOM 1389 C GLU A 86 3.331 -24.075 -0.915 1.00 0.00 C ATOM 1390 O GLU A 86 4.239 -24.333 -0.127 1.00 0.00 O ATOM 1391 CB GLU A 86 1.855 -26.008 -1.552 1.00 0.00 C ATOM 1392 CG GLU A 86 0.654 -26.879 -1.216 1.00 0.00 C ATOM 1393 CD GLU A 86 0.680 -27.315 0.223 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.656 -27.898 0.629 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.225 -26.968 0.945 1.00 0.00 O ATOM 0 H GLU A 86 0.338 -24.100 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 86 1.796 -24.922 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.826 -25.765 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.765 -26.584 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.265 -26.327 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.645 -27.756 -1.864 1.00 0.00 H new ATOM 1402 N PHE A 87 3.488 -23.242 -1.938 1.00 0.00 N ATOM 1403 CA PHE A 87 4.759 -22.556 -2.198 1.00 0.00 C ATOM 1404 C PHE A 87 5.006 -21.415 -1.195 1.00 0.00 C ATOM 1405 O PHE A 87 6.098 -21.292 -0.642 1.00 0.00 O ATOM 1406 CB PHE A 87 4.783 -22.012 -3.627 1.00 0.00 C ATOM 1407 CG PHE A 87 6.132 -21.518 -4.065 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.151 -22.412 -4.361 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.386 -20.160 -4.182 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.393 -21.959 -4.764 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.626 -19.705 -4.585 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.631 -20.606 -4.876 1.00 0.00 C ATOM 0 H PHE A 87 2.750 -23.021 -2.607 1.00 0.00 H new ATOM 0 HA PHE A 87 5.559 -23.286 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.454 -22.796 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.064 -21.197 -3.708 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.972 -23.474 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.605 -19.450 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.178 -22.666 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.810 -18.644 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.601 -20.251 -5.191 1.00 0.00 H new ATOM 1422 N CYS A 88 3.986 -20.584 -0.962 1.00 0.00 N ATOM 1423 CA CYS A 88 4.140 -19.376 -0.133 1.00 0.00 C ATOM 1424 C CYS A 88 3.624 -19.558 1.306 1.00 0.00 C ATOM 1425 O CYS A 88 4.355 -19.339 2.269 1.00 0.00 O ATOM 1426 CB CYS A 88 3.279 -18.357 -0.879 1.00 0.00 C ATOM 1427 SG CYS A 88 3.850 -17.976 -2.553 1.00 0.00 S ATOM 0 H CYS A 88 3.046 -20.721 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 88 5.186 -19.093 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.258 -18.734 -0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.247 -17.434 -0.300 1.00 0.00 H new ATOM 0 HG CYS A 88 3.737 -16.699 -2.770 1.00 0.00 H new ATOM 1433 N TYR A 89 2.362 -19.970 1.450 1.00 0.00 N ATOM 1434 CA TYR A 89 1.688 -19.969 2.765 1.00 0.00 C ATOM 1435 C TYR A 89 2.135 -21.151 3.650 1.00 0.00 C ATOM 1436 O TYR A 89 2.213 -21.039 4.875 1.00 0.00 O ATOM 1437 CB TYR A 89 0.170 -20.005 2.579 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.608 -19.841 3.866 1.00 0.00 C ATOM 1439 CD1 TYR A 89 -0.681 -18.610 4.503 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.270 -20.917 4.439 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -1.391 -18.455 5.678 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.983 -20.773 5.613 1.00 0.00 C ATOM 1443 CZ TYR A 89 -2.041 -19.540 6.230 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.750 -19.391 7.399 1.00 0.00 O ATOM 0 H TYR A 89 1.783 -20.308 0.681 1.00 0.00 H new ATOM 0 HA TYR A 89 1.975 -19.049 3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.120 -19.215 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.107 -20.952 2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -0.174 -17.759 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.227 -21.884 3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.437 -17.490 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.493 -21.621 6.046 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.148 -20.250 7.652 1.00 0.00 H new ATOM 1454 N LYS A 90 2.448 -22.283 3.028 1.00 0.00 N ATOM 1455 CA LYS A 90 2.920 -23.458 3.768 1.00 0.00 C ATOM 1456 C LYS A 90 4.005 -23.089 4.792 1.00 0.00 C ATOM 1457 O LYS A 90 5.065 -22.580 4.444 1.00 0.00 O ATOM 1458 CB LYS A 90 3.451 -24.515 2.799 1.00 0.00 C ATOM 1459 CG LYS A 90 4.022 -25.756 3.473 1.00 0.00 C ATOM 1460 CD LYS A 90 4.332 -26.845 2.457 1.00 0.00 C ATOM 1461 CE LYS A 90 5.175 -27.953 3.071 1.00 0.00 C ATOM 1462 NZ LYS A 90 5.203 -29.171 2.216 1.00 0.00 N ATOM 0 H LYS A 90 2.385 -22.416 2.019 1.00 0.00 H new ATOM 0 HA LYS A 90 2.070 -23.865 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.644 -24.818 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.225 -24.065 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.930 -25.492 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.310 -26.133 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.401 -27.263 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.860 -26.412 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.193 -27.593 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.778 -28.209 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.940 -29.820 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.278 -29.645 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.411 -28.901 1.233 1.00 0.00 H new ATOM 1476 N THR A 91 3.733 -23.351 6.067 1.00 0.00 N ATOM 1477 CA THR A 91 4.639 -22.933 7.149 1.00 0.00 C ATOM 1478 C THR A 91 5.651 -24.032 7.526 1.00 0.00 C ATOM 1479 O THR A 91 6.652 -23.771 8.196 1.00 0.00 O ATOM 1480 CB THR A 91 3.852 -22.531 8.409 1.00 0.00 C ATOM 1481 OG1 THR A 91 3.218 -23.688 8.969 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.793 -21.493 8.068 1.00 0.00 C ATOM 0 H THR A 91 2.900 -23.847 6.382 1.00 0.00 H new ATOM 0 HA THR A 91 5.188 -22.073 6.766 1.00 0.00 H new ATOM 0 HB THR A 91 4.547 -22.103 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.719 -23.431 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.246 -21.221 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.273 -20.607 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.100 -21.907 7.336 1.00 0.00 H new ATOM 1490 N SER A 92 5.389 -25.257 7.082 1.00 0.00 N ATOM 1491 CA SER A 92 6.236 -26.409 7.423 1.00 0.00 C ATOM 1492 C SER A 92 7.470 -26.489 6.516 1.00 0.00 C ATOM 1493 O SER A 92 7.424 -26.106 5.342 1.00 0.00 O ATOM 1494 CB SER A 92 5.431 -27.691 7.329 1.00 0.00 C ATOM 1495 OG SER A 92 4.408 -27.741 8.285 1.00 0.00 O ATOM 0 H SER A 92 4.595 -25.484 6.483 1.00 0.00 H new ATOM 0 HA SER A 92 6.586 -26.277 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.999 -27.775 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.094 -28.546 7.463 1.00 0.00 H new ATOM 0 HG SER A 92 3.912 -28.581 8.190 1.00 0.00 H new ATOM 1501 N ALA A 93 8.578 -26.971 7.075 1.00 0.00 N ATOM 1502 CA ALA A 93 9.820 -27.177 6.320 1.00 0.00 C ATOM 1503 C ALA A 93 10.562 -28.421 6.833 1.00 0.00 C ATOM 1504 O ALA A 93 11.583 -28.316 7.514 1.00 0.00 O ATOM 1505 CB ALA A 93 10.710 -25.940 6.404 1.00 0.00 C ATOM 0 H ALA A 93 8.644 -27.230 8.059 1.00 0.00 H new ATOM 0 HA ALA A 93 9.565 -27.341 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.626 -26.112 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.181 -25.083 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.959 -25.741 7.446 1.00 0.00 H new ATOM 1511 N HIS A 94 10.032 -29.595 6.505 1.00 0.00 N ATOM 1512 CA HIS A 94 10.554 -30.874 7.009 1.00 0.00 C ATOM 1513 C HIS A 94 11.125 -31.733 5.857 1.00 0.00 C ATOM 1514 O HIS A 94 11.566 -31.194 4.845 1.00 0.00 O ATOM 1515 CB HIS A 94 9.459 -31.648 7.751 1.00 0.00 C ATOM 1516 CG HIS A 94 8.844 -30.884 8.882 1.00 0.00 C ATOM 1517 ND1 HIS A 94 9.543 -30.558 10.026 1.00 0.00 N ATOM 1518 CD2 HIS A 94 7.597 -30.383 9.046 1.00 0.00 C ATOM 1519 CE1 HIS A 94 8.751 -29.887 10.845 1.00 0.00 C ATOM 1520 NE2 HIS A 94 7.566 -29.769 10.274 1.00 0.00 N ATOM 0 H HIS A 94 9.229 -29.694 5.883 1.00 0.00 H new ATOM 0 HA HIS A 94 11.363 -30.654 7.706 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.678 -31.924 7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.880 -32.576 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.780 -30.453 8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.026 -29.501 11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.758 -29.298 10.680 1.00 0.00 H new ATOM 1525 N GLY A 95 11.155 -33.061 6.038 1.00 0.00 N ATOM 1526 CA GLY A 95 11.509 -33.980 4.951 1.00 0.00 C ATOM 1527 C GLY A 95 10.638 -33.826 3.701 1.00 0.00 C ATOM 1528 O GLY A 95 11.074 -34.158 2.600 1.00 0.00 O ATOM 0 H GLY A 95 10.939 -33.520 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.552 -33.819 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.429 -35.005 5.314 1.00 0.00 H new ATOM 1532 N ILE A 96 9.408 -33.332 3.873 1.00 0.00 N ATOM 1533 CA ILE A 96 8.565 -32.908 2.739 1.00 0.00 C ATOM 1534 C ILE A 96 8.230 -31.398 2.807 1.00 0.00 C ATOM 1535 O ILE A 96 7.167 -31.002 3.290 1.00 0.00 O ATOM 1536 CB ILE A 96 7.253 -33.713 2.687 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.549 -35.216 2.669 1.00 0.00 C ATOM 1538 CG2 ILE A 96 6.432 -33.314 1.470 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.312 -36.081 2.726 1.00 0.00 C ATOM 0 H ILE A 96 8.969 -33.214 4.786 1.00 0.00 H new ATOM 0 HA ILE A 96 9.142 -33.100 1.834 1.00 0.00 H new ATOM 0 HB ILE A 96 6.672 -33.488 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.108 -35.456 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.192 -35.461 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.508 -33.892 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.194 -32.252 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.005 -33.512 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.602 -37.132 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.763 -35.870 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.678 -35.866 1.866 1.00 0.00 H new ATOM 1551 N PRO A 97 9.156 -30.520 2.362 1.00 0.00 N ATOM 1552 CA PRO A 97 8.998 -29.068 2.491 1.00 0.00 C ATOM 1553 C PRO A 97 8.440 -28.382 1.225 1.00 0.00 C ATOM 1554 O PRO A 97 8.165 -27.184 1.236 1.00 0.00 O ATOM 1555 CB PRO A 97 10.440 -28.634 2.749 1.00 0.00 C ATOM 1556 CG PRO A 97 11.270 -29.551 1.896 1.00 0.00 C ATOM 1557 CD PRO A 97 10.535 -30.880 1.827 1.00 0.00 C ATOM 0 HA PRO A 97 8.278 -28.795 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.595 -27.590 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.700 -28.730 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.405 -29.133 0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.264 -29.682 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.488 -31.265 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.020 -31.644 2.435 1.00 0.00 H new ATOM 1565 N MET A 98 8.280 -29.147 0.141 1.00 0.00 N ATOM 1566 CA MET A 98 7.964 -28.586 -1.180 1.00 0.00 C ATOM 1567 C MET A 98 6.450 -28.572 -1.461 1.00 0.00 C ATOM 1568 O MET A 98 5.640 -28.906 -0.597 1.00 0.00 O ATOM 1569 CB MET A 98 8.690 -29.377 -2.267 1.00 0.00 C ATOM 1570 CG MET A 98 10.208 -29.255 -2.226 1.00 0.00 C ATOM 1571 SD MET A 98 10.989 -29.790 -3.762 1.00 0.00 S ATOM 1572 CE MET A 98 10.759 -31.562 -3.659 1.00 0.00 C ATOM 0 H MET A 98 8.364 -30.163 0.151 1.00 0.00 H new ATOM 0 HA MET A 98 8.305 -27.551 -1.186 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.420 -30.429 -2.176 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.337 -29.040 -3.242 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.480 -28.219 -2.026 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.595 -29.851 -1.399 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.191 -32.037 -4.540 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.252 -31.942 -2.764 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.694 -31.788 -3.610 1.00 0.00 H new ATOM 1582 N ILE A 99 6.085 -28.191 -2.688 1.00 0.00 N ATOM 1583 CA ILE A 99 4.674 -28.027 -3.081 1.00 0.00 C ATOM 1584 C ILE A 99 3.896 -29.360 -3.027 1.00 0.00 C ATOM 1585 O ILE A 99 2.684 -29.373 -2.803 1.00 0.00 O ATOM 1586 CB ILE A 99 4.556 -27.436 -4.497 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.008 -25.973 -4.504 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.127 -27.556 -5.006 1.00 0.00 C ATOM 1589 CD1 ILE A 99 5.142 -25.383 -5.889 1.00 0.00 C ATOM 0 H ILE A 99 6.749 -27.988 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 99 4.234 -27.338 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 99 5.207 -28.001 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.294 -25.379 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.967 -25.896 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.061 -27.133 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.838 -28.607 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.456 -27.014 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.466 -24.345 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.878 -25.952 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.179 -25.426 -6.398 1.00 0.00 H new ATOM 1601 N GLY A 100 4.595 -30.479 -3.218 1.00 0.00 N ATOM 1602 CA GLY A 100 3.924 -31.777 -3.217 1.00 0.00 C ATOM 1603 C GLY A 100 4.821 -32.963 -2.847 1.00 0.00 C ATOM 1604 O GLY A 100 5.040 -33.247 -1.668 1.00 0.00 O ATOM 0 H GLY A 100 5.603 -30.514 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.089 -31.738 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.502 -31.953 -4.207 1.00 0.00 H new ATOM 1608 N GLU A 101 5.366 -33.629 -3.861 1.00 0.00 N ATOM 1609 CA GLU A 101 6.161 -34.849 -3.663 1.00 0.00 C ATOM 1610 C GLU A 101 7.651 -34.581 -3.401 1.00 0.00 C ATOM 1611 O GLU A 101 8.416 -34.287 -4.319 1.00 0.00 O ATOM 1612 CB GLU A 101 6.014 -35.766 -4.878 1.00 0.00 C ATOM 1613 CG GLU A 101 6.718 -37.109 -4.742 1.00 0.00 C ATOM 1614 CD GLU A 101 6.543 -37.945 -5.979 1.00 0.00 C ATOM 1615 OE1 GLU A 101 5.906 -37.488 -6.897 1.00 0.00 O ATOM 1616 OE2 GLU A 101 7.138 -38.995 -6.051 1.00 0.00 O ATOM 0 H GLU A 101 5.274 -33.346 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 101 5.768 -35.328 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.954 -35.942 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.406 -35.252 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.780 -36.948 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.321 -37.644 -3.879 1.00 0.00 H new ATOM 1623 N ALA A 102 8.049 -34.680 -2.137 1.00 0.00 N ATOM 1624 CA ALA A 102 9.442 -34.461 -1.741 1.00 0.00 C ATOM 1625 C ALA A 102 9.978 -35.681 -0.969 1.00 0.00 C ATOM 1626 O ALA A 102 9.759 -35.817 0.233 1.00 0.00 O ATOM 1627 CB ALA A 102 9.559 -33.190 -0.908 1.00 0.00 C ATOM 0 H ALA A 102 7.426 -34.911 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 102 10.049 -34.337 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.599 -33.038 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.217 -32.338 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.944 -33.284 -0.013 1.00 0.00 H new ATOM 1633 N PRO A 103 10.674 -36.603 -1.664 1.00 0.00 N ATOM 1634 CA PRO A 103 11.289 -37.794 -1.035 1.00 0.00 C ATOM 1635 C PRO A 103 12.482 -37.459 -0.118 1.00 0.00 C ATOM 1636 O PRO A 103 13.636 -37.661 -0.497 1.00 0.00 O ATOM 1637 CB PRO A 103 11.718 -38.651 -2.229 1.00 0.00 C ATOM 1638 CG PRO A 103 11.983 -37.666 -3.316 1.00 0.00 C ATOM 1639 CD PRO A 103 10.941 -36.593 -3.146 1.00 0.00 C ATOM 0 HA PRO A 103 10.590 -38.299 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.608 -39.237 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.937 -39.356 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.989 -37.253 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.908 -38.134 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.304 -35.622 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.040 -36.813 -3.719 1.00 0.00 H new ATOM 1647 N LEU A 104 12.199 -36.937 1.082 1.00 0.00 N ATOM 1648 CA LEU A 104 13.249 -36.520 2.034 1.00 0.00 C ATOM 1649 C LEU A 104 14.222 -35.508 1.379 1.00 0.00 C ATOM 1650 O LEU A 104 15.431 -35.528 1.618 1.00 0.00 O ATOM 1651 CB LEU A 104 14.014 -37.746 2.549 1.00 0.00 C ATOM 1652 CG LEU A 104 13.147 -38.825 3.210 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.012 -40.011 3.618 1.00 0.00 C ATOM 1654 CD2 LEU A 104 12.434 -38.237 4.419 1.00 0.00 C ATOM 0 H LEU A 104 11.249 -36.791 1.422 1.00 0.00 H new ATOM 0 HA LEU A 104 12.769 -36.026 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.552 -38.196 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.762 -37.412 3.268 1.00 0.00 H new ATOM 0 HG LEU A 104 12.399 -39.176 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.388 -40.772 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.495 -40.430 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.773 -39.680 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.818 -39.005 4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.171 -37.876 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.801 -37.409 4.101 1.00 0.00 H new ATOM 1666 N GLU A 105 13.670 -34.595 0.582 1.00 0.00 N ATOM 1667 CA GLU A 105 14.469 -33.616 -0.157 1.00 0.00 C ATOM 1668 C GLU A 105 14.858 -32.421 0.727 1.00 0.00 C ATOM 1669 O GLU A 105 14.132 -31.427 0.816 1.00 0.00 O ATOM 1670 CB GLU A 105 13.706 -33.133 -1.392 1.00 0.00 C ATOM 1671 CG GLU A 105 13.458 -34.207 -2.439 1.00 0.00 C ATOM 1672 CD GLU A 105 14.720 -34.547 -3.183 1.00 0.00 C ATOM 1673 OE1 GLU A 105 15.737 -33.974 -2.880 1.00 0.00 O ATOM 1674 OE2 GLU A 105 14.691 -35.460 -3.976 1.00 0.00 O ATOM 0 H GLU A 105 12.665 -34.512 0.430 1.00 0.00 H new ATOM 0 HA GLU A 105 15.388 -34.109 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.747 -32.725 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.263 -32.317 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.064 -35.103 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.700 -33.864 -3.143 1.00 0.00 H new ATOM 1681 N HIS A 106 16.001 -32.529 1.392 1.00 0.00 N ATOM 1682 CA HIS A 106 16.519 -31.436 2.213 1.00 0.00 C ATOM 1683 C HIS A 106 17.417 -30.519 1.372 1.00 0.00 C ATOM 1684 O HIS A 106 18.643 -30.576 1.471 1.00 0.00 O ATOM 1685 CB HIS A 106 17.293 -31.981 3.418 1.00 0.00 C ATOM 1686 CG HIS A 106 16.448 -32.773 4.368 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.472 -32.196 5.153 1.00 0.00 N ATOM 1688 CD2 HIS A 106 16.435 -34.095 4.660 1.00 0.00 C ATOM 1689 CE1 HIS A 106 14.893 -33.131 5.886 1.00 0.00 C ATOM 1690 NE2 HIS A 106 15.459 -34.290 5.606 1.00 0.00 N ATOM 0 H HIS A 106 16.589 -33.362 1.381 1.00 0.00 H new ATOM 0 HA HIS A 106 15.674 -30.856 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.109 -32.609 3.061 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.745 -31.147 3.956 1.00 0.00 H new ATOM 0 HD1 HIS A 106 15.234 -31.204 5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.072 -34.853 4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.093 -32.973 6.594 1.00 0.00 H new ATOM 1695 N HIS A 107 16.799 -29.692 0.529 1.00 0.00 N ATOM 1696 CA HIS A 107 17.547 -28.802 -0.371 1.00 0.00 C ATOM 1697 C HIS A 107 18.249 -27.675 0.402 1.00 0.00 C ATOM 1698 O HIS A 107 17.765 -27.235 1.448 1.00 0.00 O ATOM 1699 CB HIS A 107 16.617 -28.206 -1.432 1.00 0.00 C ATOM 1700 CG HIS A 107 16.083 -29.215 -2.401 1.00 0.00 C ATOM 1701 ND1 HIS A 107 14.866 -29.070 -3.032 1.00 0.00 N ATOM 1702 CD2 HIS A 107 16.601 -30.384 -2.847 1.00 0.00 C ATOM 1703 CE1 HIS A 107 14.658 -30.107 -3.825 1.00 0.00 C ATOM 1704 NE2 HIS A 107 15.695 -30.918 -3.730 1.00 0.00 N ATOM 0 H HIS A 107 15.785 -29.617 0.447 1.00 0.00 H new ATOM 0 HA HIS A 107 18.313 -29.403 -0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.780 -27.715 -0.935 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.156 -27.436 -1.984 1.00 0.00 H new ATOM 0 HD1 HIS A 107 14.226 -28.286 -2.907 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.549 -30.815 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.788 -30.264 -4.445 1.00 0.00 H new ATOM 1709 N HIS A 108 19.389 -27.223 -0.124 1.00 0.00 N ATOM 1710 CA HIS A 108 20.245 -26.242 0.563 1.00 0.00 C ATOM 1711 C HIS A 108 19.446 -25.158 1.310 1.00 0.00 C ATOM 1712 O HIS A 108 18.598 -24.476 0.732 1.00 0.00 O ATOM 1713 CB HIS A 108 21.194 -25.579 -0.441 1.00 0.00 C ATOM 1714 CG HIS A 108 22.149 -24.610 0.185 1.00 0.00 C ATOM 1715 ND1 HIS A 108 23.224 -25.014 0.949 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.192 -23.258 0.161 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.887 -23.950 1.367 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.281 -22.873 0.902 1.00 0.00 N ATOM 0 H HIS A 108 19.747 -27.521 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 108 20.811 -26.795 1.312 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.762 -26.353 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.605 -25.059 -1.196 1.00 0.00 H new ATOM 0 HD1 HIS A 108 23.469 -25.982 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 108 21.499 -22.604 -0.347 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.773 -23.960 1.984 1.00 0.00 H new ATOM 1723 N HIS A 109 19.727 -25.023 2.604 1.00 0.00 N ATOM 1724 CA HIS A 109 19.074 -24.029 3.464 1.00 0.00 C ATOM 1725 C HIS A 109 19.959 -23.739 4.688 1.00 0.00 C ATOM 1726 O HIS A 109 20.929 -24.454 4.946 1.00 0.00 O ATOM 1727 CB HIS A 109 17.690 -24.514 3.908 1.00 0.00 C ATOM 1728 CG HIS A 109 17.729 -25.724 4.786 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.844 -27.004 4.285 1.00 0.00 N ATOM 1730 CD2 HIS A 109 17.666 -25.852 6.133 1.00 0.00 C ATOM 1731 CE1 HIS A 109 17.853 -27.866 5.287 1.00 0.00 C ATOM 1732 NE2 HIS A 109 17.745 -27.193 6.417 1.00 0.00 N ATOM 0 H HIS A 109 20.414 -25.599 3.090 1.00 0.00 H new ATOM 0 HA HIS A 109 18.940 -23.110 2.894 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.185 -23.707 4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.092 -24.737 3.024 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.911 -27.247 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.571 -25.049 6.849 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.935 -28.939 5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 109 17.724 -27.603 7.351 1.00 0.00 H new ATOM 1737 N HIS A 110 19.635 -22.692 5.437 1.00 0.00 N ATOM 1738 CA HIS A 110 20.435 -22.318 6.608 1.00 0.00 C ATOM 1739 C HIS A 110 19.555 -22.112 7.841 1.00 0.00 C ATOM 1740 O HIS A 110 18.401 -21.698 7.732 1.00 0.00 O ATOM 1741 CB HIS A 110 21.243 -21.046 6.327 1.00 0.00 C ATOM 1742 CG HIS A 110 22.239 -21.199 5.219 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.482 -21.765 5.409 1.00 0.00 N ATOM 1744 CD2 HIS A 110 22.175 -20.859 3.910 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.141 -21.766 4.263 1.00 0.00 C ATOM 1746 NE2 HIS A 110 23.370 -21.222 3.339 1.00 0.00 N ATOM 0 H HIS A 110 18.832 -22.088 5.261 1.00 0.00 H new ATOM 0 HA HIS A 110 21.122 -23.139 6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.556 -20.237 6.077 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.766 -20.750 7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.341 -20.390 3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.140 -22.147 4.109 1.00 0.00 H new ATOM 0 HE2 HIS A 110 23.622 -21.092 2.359 1.00 0.00 H new ATOM 1751 N HIS A 111 20.122 -22.386 9.010 1.00 0.00 N ATOM 1752 CA HIS A 111 19.401 -22.250 10.279 1.00 0.00 C ATOM 1753 C HIS A 111 19.970 -21.066 11.096 1.00 0.00 C ATOM 1754 O HIS A 111 19.502 -19.926 10.899 1.00 0.00 O ATOM 1755 CB HIS A 111 19.482 -23.546 11.090 1.00 0.00 C ATOM 1756 CG HIS A 111 18.831 -24.716 10.420 1.00 0.00 C ATOM 1757 ND1 HIS A 111 17.500 -25.033 10.602 1.00 0.00 N ATOM 1758 CD2 HIS A 111 19.327 -25.647 9.570 1.00 0.00 C ATOM 1759 CE1 HIS A 111 17.206 -26.108 9.891 1.00 0.00 C ATOM 1760 NE2 HIS A 111 18.297 -26.499 9.258 1.00 0.00 N ATOM 1761 OXT HIS A 111 20.909 -21.272 11.892 1.00 0.00 O ATOM 0 H HIS A 111 21.085 -22.706 9.110 1.00 0.00 H new ATOM 0 HA HIS A 111 18.352 -22.050 10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.529 -23.782 11.277 1.00 0.00 H new ATOM 0 HB3 HIS A 111 19.013 -23.387 12.061 1.00 0.00 H new ATOM 0 HD1 HIS A 111 16.846 -24.519 11.192 1.00 0.00 H new ATOM 0 HD2 HIS A 111 20.342 -25.707 9.206 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.239 -26.585 9.837 1.00 0.00 H new TER 1766 HIS A 111