USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1000 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 28 THR OG1 : rot 180:sc= -0.21 USER MOD Set 1.2: A 47 THR OG1 : rot -79:sc= 0.0442 USER MOD Set 2.1: A 9 SER OG : rot -61:sc= 0.963 USER MOD Set 2.2: A 37 TYR OH : rot -167:sc= 0.534! USER MOD Single : A 0 MET CE :methyl 161:sc= -0.137 (180deg=-0.583) USER MOD Single : A 0 MET N :NH3+ 170:sc= -0.223 (180deg=-0.434) USER MOD Single : A 1 ASN :FLIP amide:sc= -2.79! C(o=-11!,f=-2.8!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 139:sc= -0.249 (180deg=-1.03) USER MOD Single : A 17 THR OG1 : rot 40:sc= 0.55 USER MOD Single : A 19 THR OG1 : rot -63:sc= 1.13 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= -2.46! (180deg=-4.79!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.033 (180deg=-0.267) USER MOD Single : A 31 TYR OH : rot 150:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.023 USER MOD Single : A 40 SER OG : rot 100:sc= -0.664 USER MOD Single : A 41 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.46) USER MOD Single : A 42 SER OG : rot -11:sc= 0.921 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.242 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= -4.06! (180deg=-4.22!) USER MOD Single : A 67 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.11) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 75 GLN :FLIP amide:sc= 1.06 F(o=-0.12,f=1.1) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= -0.312 (180deg=-1.26!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 22:sc= 0.244 USER MOD Single : A 86 SER OG : rot -93:sc= 1.24 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.75 F(o=-5.2!,f=-1.8) USER MOD Single : A 91 SER OG : rot -14:sc= 0.753 USER MOD Single : A 93 SER OG : rot 180:sc= -0.528 USER MOD Single : A 101 SER OG : rot 17:sc= 1.17 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -78:sc= -0.111! USER MOD Single : A 109 GLN :FLIP amide:sc= -0.592 F(o=-1.6!,f=-0.59) USER MOD Single : A 116 SER OG : rot -81:sc= 0.311 USER MOD Single : A 117 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.21) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.13) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 35.010 -3.373 -2.193 1.00 0.00 N ATOM 2 CA MET A 0 34.596 -3.287 -0.769 1.00 0.00 C ATOM 3 C MET A 0 33.423 -2.326 -0.598 1.00 0.00 C ATOM 4 O MET A 0 33.018 -2.017 0.522 1.00 0.00 O ATOM 5 CB MET A 0 35.774 -2.823 0.093 1.00 0.00 C ATOM 6 CG MET A 0 36.318 -1.461 -0.306 1.00 0.00 C ATOM 7 SD MET A 0 37.713 -0.941 0.713 1.00 0.00 S ATOM 8 CE MET A 0 38.920 -2.199 0.304 1.00 0.00 C ATOM 0 H1 MET A 0 35.907 -3.894 -2.263 1.00 0.00 H new ATOM 0 H2 MET A 0 34.277 -3.871 -2.738 1.00 0.00 H new ATOM 0 H3 MET A 0 35.136 -2.414 -2.576 1.00 0.00 H new ATOM 0 HA MET A 0 34.279 -4.279 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 0 35.459 -2.788 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 0 36.575 -3.559 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 0 36.628 -1.490 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 0 35.522 -0.720 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 0 39.917 -1.848 0.571 1.00 0.00 H new ATOM 0 HE2 MET A 0 38.696 -3.111 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 0 38.883 -2.405 -0.766 1.00 0.00 H new ATOM 20 N ASN A 1 32.881 -1.858 -1.719 1.00 0.00 N ATOM 21 CA ASN A 1 31.756 -0.932 -1.696 1.00 0.00 C ATOM 22 C ASN A 1 30.744 -1.267 -2.787 1.00 0.00 C ATOM 23 O ASN A 1 31.040 -2.022 -3.714 1.00 0.00 O ATOM 24 CB ASN A 1 32.260 0.506 -1.854 1.00 0.00 C ATOM 25 CG ASN A 1 31.259 1.406 -2.545 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.220 1.791 -1.818 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 31.410 1.737 -3.721 1.00 0.00 N flip ATOM 0 H ASN A 1 33.204 -2.106 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 1 31.252 -1.028 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.491 0.915 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 1 33.190 0.500 -2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 1 32.227 1.416 -4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 1 30.718 2.333 -4.176 1.00 0.00 H new ATOM 34 N CYS A 2 29.547 -0.699 -2.670 1.00 0.00 N ATOM 35 CA CYS A 2 28.486 -0.938 -3.639 1.00 0.00 C ATOM 36 C CYS A 2 28.324 0.252 -4.579 1.00 0.00 C ATOM 37 O CYS A 2 28.890 1.319 -4.345 1.00 0.00 O ATOM 38 CB CYS A 2 27.166 -1.220 -2.920 1.00 0.00 C ATOM 39 SG CYS A 2 27.186 -2.727 -1.897 1.00 0.00 S ATOM 0 H CYS A 2 29.289 -0.069 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 2 28.762 -1.809 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.919 -0.367 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.372 -1.307 -3.661 1.00 0.00 H new ATOM 44 N GLY A 3 27.546 0.067 -5.639 1.00 0.00 N ATOM 45 CA GLY A 3 27.306 1.152 -6.572 1.00 0.00 C ATOM 46 C GLY A 3 26.295 2.145 -6.025 1.00 0.00 C ATOM 47 O GLY A 3 25.561 1.819 -5.091 1.00 0.00 O ATOM 0 H GLY A 3 27.079 -0.810 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.244 1.666 -6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.945 0.747 -7.517 1.00 0.00 H new ATOM 51 N PRO A 4 26.233 3.371 -6.578 1.00 0.00 N ATOM 52 CA PRO A 4 25.290 4.397 -6.118 1.00 0.00 C ATOM 53 C PRO A 4 23.883 3.837 -5.909 1.00 0.00 C ATOM 54 O PRO A 4 23.355 3.135 -6.771 1.00 0.00 O ATOM 55 CB PRO A 4 25.311 5.414 -7.256 1.00 0.00 C ATOM 56 CG PRO A 4 26.686 5.306 -7.818 1.00 0.00 C ATOM 57 CD PRO A 4 27.074 3.856 -7.691 1.00 0.00 C ATOM 0 HA PRO A 4 25.567 4.816 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.555 5.186 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.107 6.421 -6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.708 5.626 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.381 5.945 -7.274 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.878 3.306 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.136 3.742 -7.471 1.00 0.00 H new ATOM 65 N PRO A 5 23.260 4.141 -4.752 1.00 0.00 N ATOM 66 CA PRO A 5 21.915 3.654 -4.421 1.00 0.00 C ATOM 67 C PRO A 5 20.904 3.848 -5.549 1.00 0.00 C ATOM 68 O PRO A 5 20.487 4.971 -5.835 1.00 0.00 O ATOM 69 CB PRO A 5 21.527 4.498 -3.209 1.00 0.00 C ATOM 70 CG PRO A 5 22.822 4.827 -2.557 1.00 0.00 C ATOM 71 CD PRO A 5 23.816 4.985 -3.674 1.00 0.00 C ATOM 0 HA PRO A 5 21.915 2.579 -4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.992 5.400 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.871 3.947 -2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.743 5.743 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.127 4.036 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.908 6.025 -3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.811 4.653 -3.376 1.00 0.00 H new ATOM 79 N PRO A 6 20.503 2.746 -6.207 1.00 0.00 N ATOM 80 CA PRO A 6 19.517 2.780 -7.297 1.00 0.00 C ATOM 81 C PRO A 6 18.167 3.299 -6.820 1.00 0.00 C ATOM 82 O PRO A 6 18.002 3.768 -5.694 1.00 0.00 O ATOM 83 CB PRO A 6 19.383 1.309 -7.715 1.00 0.00 C ATOM 84 CG PRO A 6 19.929 0.523 -6.571 1.00 0.00 C ATOM 85 CD PRO A 6 20.988 1.380 -5.950 1.00 0.00 C ATOM 0 HA PRO A 6 19.830 3.441 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.343 1.049 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.939 1.108 -8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.146 0.287 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.345 -0.425 -6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.092 1.183 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.964 1.207 -6.403 1.00 0.00 H new ATOM 93 N THR A 7 17.209 3.185 -7.736 1.00 0.00 N ATOM 94 CA THR A 7 15.842 3.622 -7.502 1.00 0.00 C ATOM 95 C THR A 7 14.974 2.429 -7.130 1.00 0.00 C ATOM 96 O THR A 7 15.021 1.393 -7.793 1.00 0.00 O ATOM 97 CB THR A 7 15.249 4.306 -8.749 1.00 0.00 C ATOM 98 OG1 THR A 7 16.034 5.453 -9.097 1.00 0.00 O ATOM 99 CG2 THR A 7 13.808 4.728 -8.506 1.00 0.00 C ATOM 0 H THR A 7 17.362 2.786 -8.662 1.00 0.00 H new ATOM 0 HA THR A 7 15.859 4.343 -6.685 1.00 0.00 H new ATOM 0 HB THR A 7 15.266 3.589 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.652 5.882 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.414 5.208 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.207 3.850 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.770 5.429 -7.672 1.00 0.00 H new ATOM 107 N LEU A 8 14.184 2.569 -6.076 1.00 0.00 N ATOM 108 CA LEU A 8 13.323 1.480 -5.638 1.00 0.00 C ATOM 109 C LEU A 8 11.852 1.774 -5.905 1.00 0.00 C ATOM 110 O LEU A 8 11.499 2.791 -6.503 1.00 0.00 O ATOM 111 CB LEU A 8 13.534 1.215 -4.147 1.00 0.00 C ATOM 112 CG LEU A 8 14.981 0.933 -3.736 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.063 0.642 -2.246 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.548 -0.228 -4.537 1.00 0.00 C ATOM 0 H LEU A 8 14.121 3.417 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 8 13.595 0.595 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.175 2.078 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.917 0.365 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 8 15.578 1.820 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.099 0.444 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.697 1.503 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.452 -0.230 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.577 -0.413 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.950 -1.121 -4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.524 0.017 -5.599 1.00 0.00 H new ATOM 126 N SER A 9 11.009 0.861 -5.447 1.00 0.00 N ATOM 127 CA SER A 9 9.568 0.996 -5.609 1.00 0.00 C ATOM 128 C SER A 9 8.882 0.951 -4.254 1.00 0.00 C ATOM 129 O SER A 9 8.159 1.874 -3.877 1.00 0.00 O ATOM 130 CB SER A 9 9.026 -0.116 -6.510 1.00 0.00 C ATOM 131 OG SER A 9 7.623 -0.006 -6.671 1.00 0.00 O ATOM 0 H SER A 9 11.299 0.014 -4.958 1.00 0.00 H new ATOM 0 HA SER A 9 9.360 1.958 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.512 -0.067 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.270 -1.087 -6.080 1.00 0.00 H new ATOM 0 HG SER A 9 7.186 -0.090 -5.798 1.00 0.00 H new ATOM 137 N PHE A 10 9.119 -0.132 -3.524 1.00 0.00 N ATOM 138 CA PHE A 10 8.540 -0.306 -2.200 1.00 0.00 C ATOM 139 C PHE A 10 9.039 0.772 -1.248 1.00 0.00 C ATOM 140 O PHE A 10 8.500 0.948 -0.155 1.00 0.00 O ATOM 141 CB PHE A 10 8.875 -1.694 -1.649 1.00 0.00 C ATOM 142 CG PHE A 10 10.193 -2.232 -2.128 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.384 -1.682 -1.685 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.237 -3.285 -3.027 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.596 -2.175 -2.130 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.446 -3.781 -3.476 1.00 0.00 C ATOM 147 CZ PHE A 10 12.627 -3.224 -3.027 1.00 0.00 C ATOM 0 H PHE A 10 9.711 -0.905 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 10 7.457 -0.215 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.885 -1.650 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.084 -2.388 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.366 -0.860 -0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.316 -3.723 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.519 -1.740 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.467 -4.603 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.574 -3.608 -3.377 1.00 0.00 H new ATOM 157 N ALA A 11 10.073 1.493 -1.670 1.00 0.00 N ATOM 158 CA ALA A 11 10.641 2.551 -0.849 1.00 0.00 C ATOM 159 C ALA A 11 11.260 3.668 -1.683 1.00 0.00 C ATOM 160 O ALA A 11 11.637 3.478 -2.841 1.00 0.00 O ATOM 161 CB ALA A 11 11.687 1.961 0.080 1.00 0.00 C ATOM 0 H ALA A 11 10.531 1.363 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 11 9.828 2.994 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.114 2.752 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.223 1.212 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.476 1.495 -0.510 1.00 0.00 H new ATOM 167 N ALA A 12 11.354 4.837 -1.054 1.00 0.00 N ATOM 168 CA ALA A 12 11.971 5.996 -1.694 1.00 0.00 C ATOM 169 C ALA A 12 12.904 6.721 -0.724 1.00 0.00 C ATOM 170 O ALA A 12 12.687 6.695 0.486 1.00 0.00 O ATOM 171 CB ALA A 12 10.901 6.946 -2.210 1.00 0.00 C ATOM 0 H ALA A 12 11.013 5.007 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 12 12.564 5.645 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.375 7.805 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.276 6.429 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.284 7.286 -1.378 1.00 0.00 H new ATOM 177 N PRO A 13 13.953 7.388 -1.245 1.00 0.00 N ATOM 178 CA PRO A 13 14.922 8.116 -0.417 1.00 0.00 C ATOM 179 C PRO A 13 14.254 8.960 0.667 1.00 0.00 C ATOM 180 O PRO A 13 13.164 9.496 0.462 1.00 0.00 O ATOM 181 CB PRO A 13 15.639 9.009 -1.428 1.00 0.00 C ATOM 182 CG PRO A 13 15.577 8.245 -2.706 1.00 0.00 C ATOM 183 CD PRO A 13 14.276 7.487 -2.683 1.00 0.00 C ATOM 0 HA PRO A 13 15.583 7.441 0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.149 9.978 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.670 9.200 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.620 8.917 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.423 7.563 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.496 8.014 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.378 6.502 -3.139 1.00 0.00 H new ATOM 191 N MET A 14 14.911 9.076 1.819 1.00 0.00 N ATOM 192 CA MET A 14 14.369 9.855 2.928 1.00 0.00 C ATOM 193 C MET A 14 15.364 10.901 3.416 1.00 0.00 C ATOM 194 O MET A 14 14.978 11.938 3.956 1.00 0.00 O ATOM 195 CB MET A 14 13.979 8.938 4.090 1.00 0.00 C ATOM 196 CG MET A 14 12.823 8.004 3.772 1.00 0.00 C ATOM 197 SD MET A 14 12.219 7.129 5.229 1.00 0.00 S ATOM 198 CE MET A 14 11.652 8.499 6.236 1.00 0.00 C ATOM 0 H MET A 14 15.815 8.643 2.008 1.00 0.00 H new ATOM 0 HA MET A 14 13.482 10.370 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 14 14.846 8.343 4.378 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.713 9.551 4.951 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.007 8.578 3.333 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.142 7.279 3.023 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.709 8.234 6.713 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.396 8.721 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.506 9.377 5.607 1.00 0.00 H new ATOM 208 N ASP A 15 16.645 10.619 3.221 1.00 0.00 N ATOM 209 CA ASP A 15 17.702 11.529 3.643 1.00 0.00 C ATOM 210 C ASP A 15 18.968 11.308 2.826 1.00 0.00 C ATOM 211 O ASP A 15 19.196 11.990 1.826 1.00 0.00 O ATOM 212 CB ASP A 15 17.999 11.342 5.131 1.00 0.00 C ATOM 213 CG ASP A 15 18.979 12.371 5.659 1.00 0.00 C ATOM 214 OD1 ASP A 15 20.202 12.129 5.566 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.526 13.419 6.164 1.00 0.00 O ATOM 0 H ASP A 15 16.978 9.766 2.772 1.00 0.00 H new ATOM 0 HA ASP A 15 17.358 12.550 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 15 17.069 11.407 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 15 18.402 10.343 5.295 1.00 0.00 H new ATOM 220 N ILE A 16 19.783 10.351 3.267 1.00 0.00 N ATOM 221 CA ILE A 16 21.038 10.011 2.598 1.00 0.00 C ATOM 222 C ILE A 16 21.742 11.250 2.078 1.00 0.00 C ATOM 223 O ILE A 16 21.543 11.655 0.934 1.00 0.00 O ATOM 224 CB ILE A 16 20.844 9.006 1.434 1.00 0.00 C ATOM 225 CG1 ILE A 16 22.137 8.874 0.622 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.688 9.419 0.534 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.039 7.889 -0.525 1.00 0.00 C ATOM 0 H ILE A 16 19.592 9.790 4.097 1.00 0.00 H new ATOM 0 HA ILE A 16 21.657 9.533 3.357 1.00 0.00 H new ATOM 0 HB ILE A 16 20.600 8.035 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.408 9.853 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.943 8.564 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.578 8.694 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.768 9.456 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.889 10.404 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.992 7.850 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.799 6.900 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.256 8.208 -1.213 1.00 0.00 H new ATOM 239 N THR A 17 22.547 11.867 2.928 1.00 0.00 N ATOM 240 CA THR A 17 23.288 13.050 2.524 1.00 0.00 C ATOM 241 C THR A 17 23.994 12.789 1.205 1.00 0.00 C ATOM 242 O THR A 17 24.953 12.019 1.144 1.00 0.00 O ATOM 243 CB THR A 17 24.331 13.470 3.570 1.00 0.00 C ATOM 244 OG1 THR A 17 25.180 12.361 3.890 1.00 0.00 O ATOM 245 CG2 THR A 17 23.659 13.984 4.835 1.00 0.00 C ATOM 0 H THR A 17 22.703 11.572 3.892 1.00 0.00 H new ATOM 0 HA THR A 17 22.567 13.861 2.421 1.00 0.00 H new ATOM 0 HB THR A 17 24.931 14.276 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 17 25.379 11.856 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 17 24.420 14.275 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 17 23.040 14.848 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.035 13.198 5.260 1.00 0.00 H new ATOM 253 N LEU A 18 23.513 13.431 0.152 1.00 0.00 N ATOM 254 CA LEU A 18 24.079 13.256 -1.165 1.00 0.00 C ATOM 255 C LEU A 18 25.482 13.840 -1.239 1.00 0.00 C ATOM 256 O LEU A 18 26.239 13.784 -0.270 1.00 0.00 O ATOM 257 CB LEU A 18 23.170 13.907 -2.206 1.00 0.00 C ATOM 258 CG LEU A 18 22.118 12.973 -2.812 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.787 11.744 -3.406 1.00 0.00 C ATOM 260 CD2 LEU A 18 21.098 12.567 -1.761 1.00 0.00 C ATOM 0 H LEU A 18 22.727 14.080 0.190 1.00 0.00 H new ATOM 0 HA LEU A 18 24.153 12.189 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.662 14.754 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 23.789 14.305 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 18 21.597 13.505 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 22.029 11.088 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.484 12.050 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 18 23.329 11.211 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.358 11.904 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 21.603 12.050 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.601 13.456 -1.374 1.00 0.00 H new ATOM 272 N THR A 19 25.820 14.386 -2.399 1.00 0.00 N ATOM 273 CA THR A 19 27.131 14.990 -2.621 1.00 0.00 C ATOM 274 C THR A 19 28.219 13.926 -2.573 1.00 0.00 C ATOM 275 O THR A 19 29.412 14.233 -2.586 1.00 0.00 O ATOM 276 CB THR A 19 27.441 16.092 -1.583 1.00 0.00 C ATOM 277 OG1 THR A 19 28.002 15.513 -0.399 1.00 0.00 O ATOM 278 CG2 THR A 19 26.180 16.867 -1.222 1.00 0.00 C ATOM 0 H THR A 19 25.200 14.424 -3.208 1.00 0.00 H new ATOM 0 HA THR A 19 27.111 15.451 -3.608 1.00 0.00 H new ATOM 0 HB THR A 19 28.161 16.780 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.343 14.920 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.423 17.637 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.771 17.334 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.442 16.185 -0.799 1.00 0.00 H new ATOM 286 N GLU A 20 27.788 12.670 -2.519 1.00 0.00 N ATOM 287 CA GLU A 20 28.700 11.536 -2.477 1.00 0.00 C ATOM 288 C GLU A 20 28.549 10.693 -3.735 1.00 0.00 C ATOM 289 O GLU A 20 27.968 11.137 -4.726 1.00 0.00 O ATOM 290 CB GLU A 20 28.430 10.681 -1.238 1.00 0.00 C ATOM 291 CG GLU A 20 28.752 11.385 0.070 1.00 0.00 C ATOM 292 CD GLU A 20 28.429 10.537 1.284 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.304 9.755 1.713 1.00 0.00 O ATOM 294 OE2 GLU A 20 27.300 10.651 1.806 1.00 0.00 O ATOM 0 H GLU A 20 26.801 12.412 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 20 29.721 11.914 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.381 10.385 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.019 9.766 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.810 11.648 0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.191 12.318 0.124 1.00 0.00 H new ATOM 301 N THR A 21 29.074 9.477 -3.693 1.00 0.00 N ATOM 302 CA THR A 21 28.996 8.577 -4.835 1.00 0.00 C ATOM 303 C THR A 21 29.009 7.118 -4.407 1.00 0.00 C ATOM 304 O THR A 21 28.356 6.275 -5.024 1.00 0.00 O ATOM 305 CB THR A 21 30.164 8.809 -5.806 1.00 0.00 C ATOM 306 OG1 THR A 21 31.321 9.251 -5.086 1.00 0.00 O ATOM 307 CG2 THR A 21 29.797 9.832 -6.870 1.00 0.00 C ATOM 0 H THR A 21 29.558 9.091 -2.882 1.00 0.00 H new ATOM 0 HA THR A 21 28.052 8.796 -5.333 1.00 0.00 H new ATOM 0 HB THR A 21 30.385 7.864 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 21 32.061 9.395 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.642 9.976 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.938 9.474 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 21 29.547 10.780 -6.393 1.00 0.00 H new ATOM 315 N ARG A 22 29.756 6.822 -3.352 1.00 0.00 N ATOM 316 CA ARG A 22 29.865 5.455 -2.861 1.00 0.00 C ATOM 317 C ARG A 22 29.403 5.350 -1.411 1.00 0.00 C ATOM 318 O ARG A 22 29.347 6.348 -0.692 1.00 0.00 O ATOM 319 CB ARG A 22 31.302 4.970 -2.967 1.00 0.00 C ATOM 320 CG ARG A 22 31.826 4.924 -4.393 1.00 0.00 C ATOM 321 CD ARG A 22 33.239 4.369 -4.448 1.00 0.00 C ATOM 322 NE ARG A 22 33.780 4.385 -5.805 1.00 0.00 N ATOM 323 CZ ARG A 22 35.080 4.350 -6.078 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.967 4.300 -5.093 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.495 4.367 -7.337 1.00 0.00 N ATOM 0 H ARG A 22 30.294 7.507 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 22 29.220 4.830 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.942 5.624 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.373 3.974 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.167 4.307 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.811 5.927 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.884 4.955 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.242 3.347 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 22 33.124 4.425 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.652 4.288 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.964 4.273 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.816 4.407 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.493 4.340 -7.545 1.00 0.00 H new ATOM 339 N PHE A 23 29.077 4.132 -0.992 1.00 0.00 N ATOM 340 CA PHE A 23 28.619 3.859 0.367 1.00 0.00 C ATOM 341 C PHE A 23 29.144 2.501 0.814 1.00 0.00 C ATOM 342 O PHE A 23 28.512 1.473 0.571 1.00 0.00 O ATOM 343 CB PHE A 23 27.086 3.889 0.434 1.00 0.00 C ATOM 344 CG PHE A 23 26.496 5.189 -0.040 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.479 5.500 -1.389 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.981 6.109 0.860 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.966 6.697 -1.835 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.458 7.311 0.418 1.00 0.00 C ATOM 349 CZ PHE A 23 25.451 7.605 -0.932 1.00 0.00 C ATOM 0 H PHE A 23 29.123 3.304 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 23 29.002 4.630 1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.687 3.075 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.770 3.708 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.874 4.792 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.988 5.885 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.966 6.925 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 23 25.056 8.019 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 23 25.044 8.543 -1.280 1.00 0.00 H new ATOM 359 N LYS A 24 30.326 2.509 1.435 1.00 0.00 N ATOM 360 CA LYS A 24 30.963 1.286 1.926 1.00 0.00 C ATOM 361 C LYS A 24 29.949 0.330 2.524 1.00 0.00 C ATOM 362 O LYS A 24 28.834 0.719 2.872 1.00 0.00 O ATOM 363 CB LYS A 24 32.009 1.616 2.988 1.00 0.00 C ATOM 364 CG LYS A 24 31.663 2.833 3.831 1.00 0.00 C ATOM 365 CD LYS A 24 32.652 3.030 4.969 1.00 0.00 C ATOM 366 CE LYS A 24 32.413 2.043 6.104 1.00 0.00 C ATOM 367 NZ LYS A 24 32.802 0.655 5.733 1.00 0.00 N ATOM 0 H LYS A 24 30.865 3.357 1.610 1.00 0.00 H new ATOM 0 HA LYS A 24 31.438 0.808 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.132 0.754 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.969 1.785 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 24 31.653 3.722 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.658 2.720 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.668 2.911 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.570 4.048 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.980 2.356 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.360 2.061 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.238 0.186 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.957 0.125 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.483 0.684 4.948 1.00 0.00 H new ATOM 381 N THR A 25 30.356 -0.923 2.666 1.00 0.00 N ATOM 382 CA THR A 25 29.498 -1.922 3.256 1.00 0.00 C ATOM 383 C THR A 25 29.087 -1.469 4.647 1.00 0.00 C ATOM 384 O THR A 25 29.635 -0.501 5.175 1.00 0.00 O ATOM 385 CB THR A 25 30.201 -3.286 3.350 1.00 0.00 C ATOM 386 OG1 THR A 25 31.523 -3.122 3.880 1.00 0.00 O ATOM 387 CG2 THR A 25 30.271 -3.970 1.990 1.00 0.00 C ATOM 0 H THR A 25 31.273 -1.265 2.380 1.00 0.00 H new ATOM 0 HA THR A 25 28.621 -2.038 2.619 1.00 0.00 H new ATOM 0 HB THR A 25 29.617 -3.919 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.963 -3.996 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.774 -4.932 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.262 -4.127 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.828 -3.341 1.295 1.00 0.00 H new ATOM 395 N GLY A 26 28.137 -2.161 5.249 1.00 0.00 N ATOM 396 CA GLY A 26 27.690 -1.787 6.573 1.00 0.00 C ATOM 397 C GLY A 26 26.847 -0.525 6.570 1.00 0.00 C ATOM 398 O GLY A 26 26.074 -0.296 7.501 1.00 0.00 O ATOM 0 H GLY A 26 27.668 -2.973 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.111 -2.605 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.557 -1.639 7.217 1.00 0.00 H new ATOM 402 N THR A 27 26.986 0.305 5.530 1.00 0.00 N ATOM 403 CA THR A 27 26.224 1.544 5.421 1.00 0.00 C ATOM 404 C THR A 27 24.732 1.230 5.416 1.00 0.00 C ATOM 405 O THR A 27 24.341 0.110 5.093 1.00 0.00 O ATOM 406 CB THR A 27 26.591 2.305 4.129 1.00 0.00 C ATOM 407 OG1 THR A 27 26.386 3.710 4.313 1.00 0.00 O ATOM 408 CG2 THR A 27 25.760 1.822 2.949 1.00 0.00 C ATOM 0 H THR A 27 27.623 0.136 4.751 1.00 0.00 H new ATOM 0 HA THR A 27 26.468 2.173 6.277 1.00 0.00 H new ATOM 0 HB THR A 27 27.642 2.111 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.903 4.206 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 27 26.042 2.377 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.940 0.759 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.703 1.984 3.158 1.00 0.00 H new ATOM 416 N THR A 28 23.893 2.198 5.763 1.00 0.00 N ATOM 417 CA THR A 28 22.458 1.946 5.783 1.00 0.00 C ATOM 418 C THR A 28 21.636 3.211 5.559 1.00 0.00 C ATOM 419 O THR A 28 21.779 4.200 6.278 1.00 0.00 O ATOM 420 CB THR A 28 22.026 1.291 7.108 1.00 0.00 C ATOM 421 OG1 THR A 28 22.787 0.099 7.336 1.00 0.00 O ATOM 422 CG2 THR A 28 20.543 0.950 7.089 1.00 0.00 C ATOM 0 H THR A 28 24.172 3.143 6.028 1.00 0.00 H new ATOM 0 HA THR A 28 22.263 1.264 4.956 1.00 0.00 H new ATOM 0 HB THR A 28 22.210 2.003 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.507 -0.311 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.264 0.489 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.962 1.861 6.944 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.340 0.256 6.273 1.00 0.00 H new ATOM 430 N LEU A 29 20.771 3.159 4.550 1.00 0.00 N ATOM 431 CA LEU A 29 19.915 4.287 4.207 1.00 0.00 C ATOM 432 C LEU A 29 18.649 4.275 5.065 1.00 0.00 C ATOM 433 O LEU A 29 18.626 3.680 6.142 1.00 0.00 O ATOM 434 CB LEU A 29 19.537 4.241 2.720 1.00 0.00 C ATOM 435 CG LEU A 29 20.701 4.354 1.722 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.516 5.614 1.974 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.588 3.120 1.780 1.00 0.00 C ATOM 0 H LEU A 29 20.645 2.342 3.953 1.00 0.00 H new ATOM 0 HA LEU A 29 20.466 5.207 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.011 3.306 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.834 5.049 2.520 1.00 0.00 H new ATOM 0 HG LEU A 29 20.276 4.421 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.333 5.669 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.876 6.489 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.924 5.587 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.404 3.224 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.997 3.013 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.999 2.237 1.532 1.00 0.00 H new ATOM 449 N LYS A 30 17.599 4.933 4.580 1.00 0.00 N ATOM 450 CA LYS A 30 16.328 4.988 5.299 1.00 0.00 C ATOM 451 C LYS A 30 15.207 4.420 4.435 1.00 0.00 C ATOM 452 O LYS A 30 14.738 3.306 4.663 1.00 0.00 O ATOM 453 CB LYS A 30 16.003 6.429 5.699 1.00 0.00 C ATOM 454 CG LYS A 30 15.136 6.540 6.943 1.00 0.00 C ATOM 455 CD LYS A 30 15.876 6.072 8.189 1.00 0.00 C ATOM 456 CE LYS A 30 17.104 6.927 8.469 1.00 0.00 C ATOM 457 NZ LYS A 30 16.754 8.363 8.646 1.00 0.00 N ATOM 0 H LYS A 30 17.603 5.436 3.692 1.00 0.00 H new ATOM 0 HA LYS A 30 16.416 4.385 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.935 6.968 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.496 6.921 4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.820 7.575 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.233 5.945 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.204 6.108 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.177 5.032 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.603 6.562 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.812 6.825 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.567 8.872 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.508 8.776 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.942 8.446 9.290 1.00 0.00 H new ATOM 471 N TYR A 31 14.780 5.203 3.447 1.00 0.00 N ATOM 472 CA TYR A 31 13.731 4.787 2.518 1.00 0.00 C ATOM 473 C TYR A 31 12.362 4.654 3.189 1.00 0.00 C ATOM 474 O TYR A 31 12.206 3.958 4.191 1.00 0.00 O ATOM 475 CB TYR A 31 14.114 3.468 1.845 1.00 0.00 C ATOM 476 CG TYR A 31 15.160 3.621 0.765 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.794 3.890 -0.547 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.511 3.499 1.058 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.748 4.031 -1.539 1.00 0.00 C ATOM 480 CE2 TYR A 31 17.470 3.639 0.073 1.00 0.00 C ATOM 481 CZ TYR A 31 17.084 3.905 -1.222 1.00 0.00 C ATOM 482 OH TYR A 31 18.036 4.045 -2.206 1.00 0.00 O ATOM 0 H TYR A 31 15.148 6.137 3.268 1.00 0.00 H new ATOM 0 HA TYR A 31 13.644 5.573 1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.484 2.777 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.221 3.018 1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.748 3.991 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.818 3.291 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 31 15.448 4.239 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 31 18.517 3.540 0.318 1.00 0.00 H new ATOM 0 HH TYR A 31 18.861 4.401 -1.815 1.00 0.00 H new ATOM 492 N THR A 32 11.378 5.337 2.607 1.00 0.00 N ATOM 493 CA THR A 32 10.005 5.300 3.108 1.00 0.00 C ATOM 494 C THR A 32 9.105 4.502 2.166 1.00 0.00 C ATOM 495 O THR A 32 9.331 4.475 0.957 1.00 0.00 O ATOM 496 CB THR A 32 9.430 6.718 3.280 1.00 0.00 C ATOM 497 OG1 THR A 32 8.003 6.664 3.377 1.00 0.00 O ATOM 498 CG2 THR A 32 9.836 7.612 2.119 1.00 0.00 C ATOM 0 H THR A 32 11.507 5.926 1.784 1.00 0.00 H new ATOM 0 HA THR A 32 10.032 4.813 4.083 1.00 0.00 H new ATOM 0 HB THR A 32 9.836 7.140 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.648 7.571 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.418 8.608 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.923 7.678 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.459 7.192 1.187 1.00 0.00 H new ATOM 506 N CYS A 33 8.079 3.865 2.723 1.00 0.00 N ATOM 507 CA CYS A 33 7.163 3.045 1.931 1.00 0.00 C ATOM 508 C CYS A 33 5.868 3.781 1.595 1.00 0.00 C ATOM 509 O CYS A 33 5.156 4.279 2.468 1.00 0.00 O ATOM 510 CB CYS A 33 6.829 1.762 2.690 1.00 0.00 C ATOM 511 SG CYS A 33 5.798 0.590 1.756 1.00 0.00 S ATOM 0 H CYS A 33 7.860 3.900 3.719 1.00 0.00 H new ATOM 0 HA CYS A 33 7.668 2.813 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.759 1.267 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.315 2.024 3.615 1.00 0.00 H new ATOM 516 N LEU A 34 5.600 3.831 0.291 1.00 0.00 N ATOM 517 CA LEU A 34 4.422 4.502 -0.245 1.00 0.00 C ATOM 518 C LEU A 34 3.148 4.031 0.458 1.00 0.00 C ATOM 519 O LEU A 34 3.123 2.964 1.074 1.00 0.00 O ATOM 520 CB LEU A 34 4.334 4.277 -1.756 1.00 0.00 C ATOM 521 CG LEU A 34 5.647 4.512 -2.512 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.469 4.233 -3.995 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.148 5.933 -2.290 1.00 0.00 C ATOM 0 H LEU A 34 6.194 3.407 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 34 4.518 5.571 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.002 3.255 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.571 4.939 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 34 6.394 3.821 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.412 4.406 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.162 3.197 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.705 4.896 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.081 6.079 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.402 6.642 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.320 6.096 -1.226 1.00 0.00 H new ATOM 535 N PRO A 35 2.073 4.830 0.367 1.00 0.00 N ATOM 536 CA PRO A 35 0.789 4.536 1.023 1.00 0.00 C ATOM 537 C PRO A 35 0.149 3.201 0.643 1.00 0.00 C ATOM 538 O PRO A 35 0.098 2.277 1.455 1.00 0.00 O ATOM 539 CB PRO A 35 -0.116 5.690 0.576 1.00 0.00 C ATOM 540 CG PRO A 35 0.817 6.784 0.192 1.00 0.00 C ATOM 541 CD PRO A 35 2.025 6.104 -0.377 1.00 0.00 C ATOM 0 HA PRO A 35 0.938 4.450 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.746 5.395 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.782 6.003 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.360 7.449 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.081 7.395 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.928 5.941 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.929 6.694 -0.225 1.00 0.00 H new ATOM 549 N GLY A 36 -0.357 3.120 -0.583 1.00 0.00 N ATOM 550 CA GLY A 36 -1.067 1.941 -1.066 1.00 0.00 C ATOM 551 C GLY A 36 -0.337 0.617 -0.913 1.00 0.00 C ATOM 552 O GLY A 36 -0.827 -0.409 -1.385 1.00 0.00 O ATOM 0 H GLY A 36 -0.286 3.870 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.018 1.872 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.298 2.087 -2.121 1.00 0.00 H new ATOM 556 N TYR A 37 0.814 0.614 -0.260 1.00 0.00 N ATOM 557 CA TYR A 37 1.525 -0.641 -0.053 1.00 0.00 C ATOM 558 C TYR A 37 0.784 -1.487 0.969 1.00 0.00 C ATOM 559 O TYR A 37 0.303 -0.983 1.984 1.00 0.00 O ATOM 560 CB TYR A 37 2.986 -0.406 0.324 1.00 0.00 C ATOM 561 CG TYR A 37 3.859 -0.253 -0.903 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.207 -1.361 -1.665 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.317 0.992 -1.312 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.986 -1.234 -2.797 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.100 1.126 -2.444 1.00 0.00 C ATOM 566 CZ TYR A 37 5.431 0.010 -3.182 1.00 0.00 C ATOM 567 OH TYR A 37 6.204 0.139 -4.311 1.00 0.00 O ATOM 0 H TYR A 37 1.268 1.441 0.127 1.00 0.00 H new ATOM 0 HA TYR A 37 1.548 -1.195 -0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.064 0.489 0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.346 -1.240 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.862 -2.340 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.058 1.869 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.245 -2.107 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.451 2.101 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 37 6.605 1.033 -4.333 1.00 0.00 H new ATOM 577 N VAL A 38 0.696 -2.780 0.684 1.00 0.00 N ATOM 578 CA VAL A 38 -0.069 -3.693 1.520 1.00 0.00 C ATOM 579 C VAL A 38 0.792 -4.846 2.045 1.00 0.00 C ATOM 580 O VAL A 38 1.818 -5.191 1.463 1.00 0.00 O ATOM 581 CB VAL A 38 -1.254 -4.254 0.710 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.800 -5.520 1.334 1.00 0.00 C ATOM 583 CG2 VAL A 38 -2.346 -3.210 0.561 1.00 0.00 C ATOM 0 H VAL A 38 1.145 -3.219 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.432 -3.135 2.383 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.886 -4.509 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.635 -5.889 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.016 -6.276 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.143 -5.308 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.173 -3.628 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.703 -2.914 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.947 -2.338 0.043 1.00 0.00 H new ATOM 593 N ARG A 39 0.328 -5.413 3.167 1.00 0.00 N ATOM 594 CA ARG A 39 0.963 -6.544 3.853 1.00 0.00 C ATOM 595 C ARG A 39 2.354 -6.885 3.329 1.00 0.00 C ATOM 596 O ARG A 39 2.495 -7.487 2.263 1.00 0.00 O ATOM 597 CB ARG A 39 0.065 -7.779 3.762 1.00 0.00 C ATOM 598 CG ARG A 39 -1.250 -7.627 4.509 1.00 0.00 C ATOM 599 CD ARG A 39 -1.036 -7.566 6.013 1.00 0.00 C ATOM 600 NE ARG A 39 -2.243 -7.146 6.723 1.00 0.00 N ATOM 601 CZ ARG A 39 -2.232 -6.604 7.937 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.085 -6.425 8.578 1.00 0.00 N ATOM 603 NH2 ARG A 39 -3.370 -6.239 8.512 1.00 0.00 N ATOM 0 H ARG A 39 -0.520 -5.089 3.633 1.00 0.00 H new ATOM 0 HA ARG A 39 1.091 -6.234 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.144 -7.990 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.603 -8.640 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.756 -6.721 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.905 -8.464 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.726 -8.546 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.225 -6.873 6.236 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.143 -7.276 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.207 -6.703 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.081 -6.009 9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.255 -6.374 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.360 -5.823 9.443 1.00 0.00 H new ATOM 617 N SER A 40 3.373 -6.518 4.105 1.00 0.00 N ATOM 618 CA SER A 40 4.762 -6.794 3.746 1.00 0.00 C ATOM 619 C SER A 40 5.726 -6.092 4.697 1.00 0.00 C ATOM 620 O SER A 40 6.892 -6.472 4.798 1.00 0.00 O ATOM 621 CB SER A 40 5.050 -6.351 2.313 1.00 0.00 C ATOM 622 OG SER A 40 6.362 -6.717 1.921 1.00 0.00 O ATOM 0 H SER A 40 3.261 -6.026 4.991 1.00 0.00 H new ATOM 0 HA SER A 40 4.911 -7.871 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.325 -6.803 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.931 -5.271 2.232 1.00 0.00 H new ATOM 0 HG SER A 40 6.326 -7.532 1.378 1.00 0.00 H new ATOM 628 N HIS A 41 5.234 -5.070 5.392 1.00 0.00 N ATOM 629 CA HIS A 41 6.064 -4.309 6.323 1.00 0.00 C ATOM 630 C HIS A 41 6.802 -5.222 7.293 1.00 0.00 C ATOM 631 O HIS A 41 6.190 -5.961 8.063 1.00 0.00 O ATOM 632 CB HIS A 41 5.224 -3.293 7.096 1.00 0.00 C ATOM 633 CG HIS A 41 3.881 -3.808 7.515 1.00 0.00 C ATOM 634 ND1 HIS A 41 2.722 -3.551 6.811 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.514 -4.568 8.574 1.00 0.00 C ATOM 636 CE1 HIS A 41 1.702 -4.129 7.420 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.156 -4.753 8.491 1.00 0.00 N ATOM 0 H HIS A 41 4.268 -4.750 5.329 1.00 0.00 H new ATOM 0 HA HIS A 41 6.806 -3.775 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.775 -2.981 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.085 -2.406 6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.168 -4.956 9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.672 -4.097 7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.589 -5.286 9.150 1.00 0.00 H new ATOM 646 N SER A 42 8.128 -5.157 7.241 1.00 0.00 N ATOM 647 CA SER A 42 8.978 -5.963 8.108 1.00 0.00 C ATOM 648 C SER A 42 10.374 -5.357 8.190 1.00 0.00 C ATOM 649 O SER A 42 11.191 -5.757 9.021 1.00 0.00 O ATOM 650 CB SER A 42 9.060 -7.399 7.586 1.00 0.00 C ATOM 651 OG SER A 42 7.786 -8.020 7.589 1.00 0.00 O ATOM 0 H SER A 42 8.640 -4.549 6.602 1.00 0.00 H new ATOM 0 HA SER A 42 8.541 -5.977 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.464 -7.398 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.749 -7.974 8.204 1.00 0.00 H new ATOM 0 HG SER A 42 7.152 -7.463 8.087 1.00 0.00 H new ATOM 657 N THR A 43 10.636 -4.387 7.320 1.00 0.00 N ATOM 658 CA THR A 43 11.931 -3.713 7.279 1.00 0.00 C ATOM 659 C THR A 43 11.842 -2.429 6.461 1.00 0.00 C ATOM 660 O THR A 43 10.746 -1.963 6.149 1.00 0.00 O ATOM 661 CB THR A 43 13.023 -4.613 6.667 1.00 0.00 C ATOM 662 OG1 THR A 43 12.662 -5.994 6.799 1.00 0.00 O ATOM 663 CG2 THR A 43 14.364 -4.375 7.346 1.00 0.00 C ATOM 0 H THR A 43 9.966 -4.048 6.630 1.00 0.00 H new ATOM 0 HA THR A 43 12.201 -3.482 8.309 1.00 0.00 H new ATOM 0 HB THR A 43 13.112 -4.361 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.363 -6.554 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.119 -5.021 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.656 -3.333 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.279 -4.601 8.409 1.00 0.00 H new ATOM 671 N GLN A 44 13.003 -1.859 6.125 1.00 0.00 N ATOM 672 CA GLN A 44 13.072 -0.628 5.335 1.00 0.00 C ATOM 673 C GLN A 44 14.481 -0.037 5.378 1.00 0.00 C ATOM 674 O GLN A 44 14.670 1.091 5.828 1.00 0.00 O ATOM 675 CB GLN A 44 12.066 0.407 5.851 1.00 0.00 C ATOM 676 CG GLN A 44 12.206 0.706 7.336 1.00 0.00 C ATOM 677 CD GLN A 44 11.113 1.621 7.853 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.061 1.160 8.295 1.00 0.00 O ATOM 679 NE2 GLN A 44 11.357 2.926 7.801 1.00 0.00 N ATOM 0 H GLN A 44 13.913 -2.234 6.391 1.00 0.00 H new ATOM 0 HA GLN A 44 12.823 -0.880 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.190 1.333 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.056 0.048 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.186 -0.230 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.177 1.166 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.243 3.265 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.658 3.589 8.136 1.00 0.00 H new ATOM 688 N THR A 45 15.467 -0.796 4.900 1.00 0.00 N ATOM 689 CA THR A 45 16.852 -0.331 4.909 1.00 0.00 C ATOM 690 C THR A 45 17.686 -0.992 3.816 1.00 0.00 C ATOM 691 O THR A 45 17.494 -2.164 3.491 1.00 0.00 O ATOM 692 CB THR A 45 17.530 -0.604 6.267 1.00 0.00 C ATOM 693 OG1 THR A 45 17.417 -1.993 6.599 1.00 0.00 O ATOM 694 CG2 THR A 45 16.910 0.239 7.371 1.00 0.00 C ATOM 0 H THR A 45 15.334 -1.727 4.505 1.00 0.00 H new ATOM 0 HA THR A 45 16.808 0.743 4.726 1.00 0.00 H new ATOM 0 HB THR A 45 18.582 -0.333 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.851 -2.160 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.409 0.025 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.027 1.296 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.850 0.002 7.458 1.00 0.00 H new ATOM 702 N LEU A 46 18.612 -0.221 3.254 1.00 0.00 N ATOM 703 CA LEU A 46 19.505 -0.714 2.210 1.00 0.00 C ATOM 704 C LEU A 46 20.943 -0.694 2.721 1.00 0.00 C ATOM 705 O LEU A 46 21.499 0.368 2.999 1.00 0.00 O ATOM 706 CB LEU A 46 19.383 0.130 0.937 1.00 0.00 C ATOM 707 CG LEU A 46 18.356 -0.376 -0.079 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.959 -0.363 0.521 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.400 0.461 -1.350 1.00 0.00 C ATOM 0 H LEU A 46 18.764 0.755 3.507 1.00 0.00 H new ATOM 0 HA LEU A 46 19.221 -1.736 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.121 1.150 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.359 0.174 0.453 1.00 0.00 H new ATOM 0 HG LEU A 46 18.609 -1.404 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.243 -0.726 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.934 -1.008 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.697 0.655 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.663 0.085 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.175 1.500 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.394 0.398 -1.793 1.00 0.00 H new ATOM 721 N THR A 47 21.540 -1.876 2.848 1.00 0.00 N ATOM 722 CA THR A 47 22.912 -1.996 3.332 1.00 0.00 C ATOM 723 C THR A 47 23.817 -2.595 2.269 1.00 0.00 C ATOM 724 O THR A 47 23.405 -3.485 1.525 1.00 0.00 O ATOM 725 CB THR A 47 22.989 -2.890 4.586 1.00 0.00 C ATOM 726 OG1 THR A 47 21.990 -2.498 5.534 1.00 0.00 O ATOM 727 CG2 THR A 47 24.366 -2.808 5.231 1.00 0.00 C ATOM 0 H THR A 47 21.094 -2.765 2.622 1.00 0.00 H new ATOM 0 HA THR A 47 23.245 -0.988 3.579 1.00 0.00 H new ATOM 0 HB THR A 47 22.811 -3.920 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.296 -1.706 6.024 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.393 -3.448 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.122 -3.139 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.570 -1.778 5.523 1.00 0.00 H new ATOM 735 N CYS A 48 25.054 -2.111 2.194 1.00 0.00 N ATOM 736 CA CYS A 48 25.998 -2.643 1.229 1.00 0.00 C ATOM 737 C CYS A 48 26.566 -3.940 1.784 1.00 0.00 C ATOM 738 O CYS A 48 27.201 -3.961 2.839 1.00 0.00 O ATOM 739 CB CYS A 48 27.108 -1.635 0.931 1.00 0.00 C ATOM 740 SG CYS A 48 28.323 -2.212 -0.297 1.00 0.00 S ATOM 0 H CYS A 48 25.418 -1.362 2.783 1.00 0.00 H new ATOM 0 HA CYS A 48 25.490 -2.839 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.657 -0.709 0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.629 -1.399 1.859 1.00 0.00 H new ATOM 745 N ASN A 49 26.324 -5.019 1.057 1.00 0.00 N ATOM 746 CA ASN A 49 26.838 -6.322 1.440 1.00 0.00 C ATOM 747 C ASN A 49 28.143 -6.590 0.693 1.00 0.00 C ATOM 748 O ASN A 49 28.573 -5.767 -0.115 1.00 0.00 O ATOM 749 CB ASN A 49 25.809 -7.414 1.125 1.00 0.00 C ATOM 750 CG ASN A 49 25.691 -7.689 -0.361 1.00 0.00 C ATOM 751 OD1 ASN A 49 26.039 -6.850 -1.190 1.00 0.00 O ATOM 752 ND2 ASN A 49 25.190 -8.868 -0.703 1.00 0.00 N ATOM 0 H ASN A 49 25.774 -5.017 0.198 1.00 0.00 H new ATOM 0 HA ASN A 49 27.029 -6.333 2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.090 -8.333 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.836 -7.115 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 49 25.080 -9.109 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.914 -9.534 0.019 1.00 0.00 H new ATOM 759 N SER A 50 28.773 -7.726 0.960 1.00 0.00 N ATOM 760 CA SER A 50 30.016 -8.075 0.275 1.00 0.00 C ATOM 761 C SER A 50 29.673 -8.729 -1.058 1.00 0.00 C ATOM 762 O SER A 50 30.000 -9.886 -1.322 1.00 0.00 O ATOM 763 CB SER A 50 30.869 -9.005 1.139 1.00 0.00 C ATOM 764 OG SER A 50 32.057 -9.382 0.467 1.00 0.00 O ATOM 0 H SER A 50 28.451 -8.417 1.638 1.00 0.00 H new ATOM 0 HA SER A 50 30.601 -7.173 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 50 31.120 -8.507 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.295 -9.895 1.396 1.00 0.00 H new ATOM 0 HG SER A 50 31.829 -9.816 -0.382 1.00 0.00 H new ATOM 770 N ASP A 51 28.999 -7.939 -1.885 1.00 0.00 N ATOM 771 CA ASP A 51 28.540 -8.342 -3.206 1.00 0.00 C ATOM 772 C ASP A 51 28.433 -7.125 -4.110 1.00 0.00 C ATOM 773 O ASP A 51 28.034 -7.227 -5.270 1.00 0.00 O ATOM 774 CB ASP A 51 27.164 -8.987 -3.099 1.00 0.00 C ATOM 775 CG ASP A 51 27.188 -10.288 -2.316 1.00 0.00 C ATOM 776 OD1 ASP A 51 27.289 -10.234 -1.073 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.105 -11.361 -2.950 1.00 0.00 O ATOM 0 H ASP A 51 28.751 -6.978 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 51 29.255 -9.052 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.477 -8.291 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.777 -9.177 -4.100 1.00 0.00 H new ATOM 782 N GLY A 52 28.797 -5.973 -3.559 1.00 0.00 N ATOM 783 CA GLY A 52 28.706 -4.739 -4.308 1.00 0.00 C ATOM 784 C GLY A 52 27.292 -4.466 -4.777 1.00 0.00 C ATOM 785 O GLY A 52 27.052 -3.693 -5.706 1.00 0.00 O ATOM 0 H GLY A 52 29.153 -5.874 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.049 -3.911 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.371 -4.788 -5.170 1.00 0.00 H new ATOM 789 N GLU A 53 26.365 -5.130 -4.100 1.00 0.00 N ATOM 790 CA GLU A 53 24.944 -4.967 -4.371 1.00 0.00 C ATOM 791 C GLU A 53 24.197 -4.645 -3.084 1.00 0.00 C ATOM 792 O GLU A 53 24.672 -4.948 -1.990 1.00 0.00 O ATOM 793 CB GLU A 53 24.363 -6.239 -4.993 1.00 0.00 C ATOM 794 CG GLU A 53 24.049 -7.325 -3.974 1.00 0.00 C ATOM 795 CD GLU A 53 23.467 -8.572 -4.608 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.198 -9.255 -5.357 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.278 -8.866 -4.358 1.00 0.00 O ATOM 0 H GLU A 53 26.575 -5.792 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 53 24.825 -4.143 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.452 -5.985 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.069 -6.632 -5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.960 -7.587 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.346 -6.935 -3.238 1.00 0.00 H new ATOM 804 N TRP A 54 23.037 -4.022 -3.211 1.00 0.00 N ATOM 805 CA TRP A 54 22.234 -3.689 -2.054 1.00 0.00 C ATOM 806 C TRP A 54 21.294 -4.841 -1.743 1.00 0.00 C ATOM 807 O TRP A 54 20.343 -5.118 -2.474 1.00 0.00 O ATOM 808 CB TRP A 54 21.470 -2.396 -2.318 1.00 0.00 C ATOM 809 CG TRP A 54 22.380 -1.239 -2.600 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.686 -0.709 -3.821 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.119 -0.482 -1.638 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.568 0.336 -3.674 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.848 0.495 -2.343 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.232 -0.533 -0.249 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.679 1.411 -1.702 1.00 0.00 C ATOM 816 CZ3 TRP A 54 24.056 0.376 0.387 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.769 1.337 -0.339 1.00 0.00 C ATOM 0 H TRP A 54 22.634 -3.738 -4.104 1.00 0.00 H new ATOM 0 HA TRP A 54 22.873 -3.530 -1.185 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.799 -2.541 -3.164 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.848 -2.163 -1.454 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.293 -1.059 -4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.951 0.900 -4.432 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.685 -1.270 0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.232 2.152 -2.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 24.151 0.344 1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.403 2.035 0.188 1.00 0.00 H new ATOM 828 N VAL A 55 21.595 -5.499 -0.632 1.00 0.00 N ATOM 829 CA VAL A 55 20.855 -6.662 -0.173 1.00 0.00 C ATOM 830 C VAL A 55 19.813 -6.248 0.857 1.00 0.00 C ATOM 831 O VAL A 55 20.048 -5.320 1.633 1.00 0.00 O ATOM 832 CB VAL A 55 21.822 -7.693 0.447 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.159 -8.477 1.564 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.354 -8.631 -0.618 1.00 0.00 C ATOM 0 H VAL A 55 22.367 -5.237 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 55 20.350 -7.115 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 55 22.659 -7.144 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.869 -9.193 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.837 -7.792 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.294 -9.010 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 23.034 -9.351 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.523 -9.161 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.888 -8.057 -1.375 1.00 0.00 H new ATOM 844 N TYR A 56 18.676 -6.946 0.878 1.00 0.00 N ATOM 845 CA TYR A 56 17.633 -6.653 1.861 1.00 0.00 C ATOM 846 C TYR A 56 16.338 -7.412 1.570 1.00 0.00 C ATOM 847 O TYR A 56 16.207 -8.046 0.523 1.00 0.00 O ATOM 848 CB TYR A 56 17.343 -5.148 1.917 1.00 0.00 C ATOM 849 CG TYR A 56 16.957 -4.559 0.578 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.643 -4.603 0.134 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.907 -3.962 -0.241 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.285 -4.071 -1.089 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.557 -3.427 -1.468 1.00 0.00 C ATOM 854 CZ TYR A 56 16.245 -3.484 -1.885 1.00 0.00 C ATOM 855 OH TYR A 56 15.891 -2.954 -3.105 1.00 0.00 O ATOM 0 H TYR A 56 18.456 -7.707 0.236 1.00 0.00 H new ATOM 0 HA TYR A 56 18.011 -6.986 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.539 -4.967 2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.225 -4.630 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.888 -5.061 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.935 -3.915 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.258 -4.115 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.307 -2.968 -2.095 1.00 0.00 H new ATOM 0 HH TYR A 56 16.684 -2.577 -3.541 1.00 0.00 H new ATOM 865 N ASN A 57 15.384 -7.348 2.494 1.00 0.00 N ATOM 866 CA ASN A 57 14.115 -8.051 2.325 1.00 0.00 C ATOM 867 C ASN A 57 13.035 -7.132 1.767 1.00 0.00 C ATOM 868 O ASN A 57 13.247 -5.930 1.608 1.00 0.00 O ATOM 869 CB ASN A 57 13.655 -8.635 3.662 1.00 0.00 C ATOM 870 CG ASN A 57 14.630 -9.655 4.214 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.505 -10.853 3.958 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.613 -9.185 4.975 1.00 0.00 N ATOM 0 H ASN A 57 15.464 -6.820 3.363 1.00 0.00 H new ATOM 0 HA ASN A 57 14.276 -8.857 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.530 -7.828 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.678 -9.102 3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.301 -9.825 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.679 -8.184 5.162 1.00 0.00 H new ATOM 879 N THR A 58 11.875 -7.713 1.472 1.00 0.00 N ATOM 880 CA THR A 58 10.751 -6.958 0.939 1.00 0.00 C ATOM 881 C THR A 58 9.816 -6.547 2.066 1.00 0.00 C ATOM 882 O THR A 58 9.259 -7.394 2.765 1.00 0.00 O ATOM 883 CB THR A 58 9.962 -7.776 -0.101 1.00 0.00 C ATOM 884 OG1 THR A 58 10.853 -8.299 -1.092 1.00 0.00 O ATOM 885 CG2 THR A 58 8.901 -6.917 -0.773 1.00 0.00 C ATOM 0 H THR A 58 11.691 -8.709 1.595 1.00 0.00 H new ATOM 0 HA THR A 58 11.154 -6.072 0.448 1.00 0.00 H new ATOM 0 HB THR A 58 9.469 -8.599 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.344 -8.819 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.357 -7.516 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.206 -6.542 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.379 -6.077 -1.277 1.00 0.00 H new ATOM 893 N PHE A 59 9.646 -5.244 2.241 1.00 0.00 N ATOM 894 CA PHE A 59 8.794 -4.727 3.302 1.00 0.00 C ATOM 895 C PHE A 59 7.502 -4.131 2.751 1.00 0.00 C ATOM 896 O PHE A 59 6.672 -3.629 3.508 1.00 0.00 O ATOM 897 CB PHE A 59 9.554 -3.681 4.120 1.00 0.00 C ATOM 898 CG PHE A 59 10.386 -2.744 3.289 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.628 -3.135 2.810 1.00 0.00 C ATOM 900 CD2 PHE A 59 9.929 -1.470 2.992 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.395 -2.275 2.050 1.00 0.00 C ATOM 902 CE2 PHE A 59 10.694 -0.606 2.233 1.00 0.00 C ATOM 903 CZ PHE A 59 11.927 -1.008 1.761 1.00 0.00 C ATOM 0 H PHE A 59 10.086 -4.527 1.663 1.00 0.00 H new ATOM 0 HA PHE A 59 8.521 -5.562 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.839 -3.098 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.202 -4.192 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.999 -4.124 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.965 -1.149 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.359 -2.592 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.327 0.385 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.525 -0.333 1.167 1.00 0.00 H new ATOM 913 N CYS A 60 7.331 -4.191 1.434 1.00 0.00 N ATOM 914 CA CYS A 60 6.132 -3.654 0.796 1.00 0.00 C ATOM 915 C CYS A 60 5.852 -4.376 -0.523 1.00 0.00 C ATOM 916 O CYS A 60 6.779 -4.727 -1.252 1.00 0.00 O ATOM 917 CB CYS A 60 6.289 -2.152 0.559 1.00 0.00 C ATOM 918 SG CYS A 60 6.717 -1.195 2.047 1.00 0.00 S ATOM 0 H CYS A 60 8.004 -4.604 0.789 1.00 0.00 H new ATOM 0 HA CYS A 60 5.284 -3.818 1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.061 -1.994 -0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.358 -1.763 0.147 1.00 0.00 H new ATOM 923 N ILE A 61 4.570 -4.593 -0.828 1.00 0.00 N ATOM 924 CA ILE A 61 4.194 -5.289 -2.058 1.00 0.00 C ATOM 925 C ILE A 61 3.178 -4.503 -2.877 1.00 0.00 C ATOM 926 O ILE A 61 3.201 -4.547 -4.108 1.00 0.00 O ATOM 927 CB ILE A 61 3.625 -6.692 -1.763 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.201 -6.596 -1.206 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.528 -7.423 -0.786 1.00 0.00 C ATOM 930 CD1 ILE A 61 1.630 -7.925 -0.766 1.00 0.00 C ATOM 0 H ILE A 61 3.784 -4.300 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 61 5.110 -5.386 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 61 3.586 -7.253 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.197 -5.910 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.551 -6.165 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.119 -8.413 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.524 -7.523 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.590 -6.858 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.620 -7.778 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.601 -8.608 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.257 -8.349 0.018 1.00 0.00 H new ATOM 942 N TYR A 62 2.286 -3.795 -2.193 1.00 0.00 N ATOM 943 CA TYR A 62 1.261 -2.999 -2.870 1.00 0.00 C ATOM 944 C TYR A 62 0.238 -3.884 -3.571 1.00 0.00 C ATOM 945 O TYR A 62 0.556 -4.593 -4.527 1.00 0.00 O ATOM 946 CB TYR A 62 1.905 -2.059 -3.890 1.00 0.00 C ATOM 947 CG TYR A 62 1.278 -0.687 -3.942 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.058 -0.511 -4.277 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.033 0.435 -3.642 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.621 0.751 -4.311 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.485 1.696 -3.670 1.00 0.00 C ATOM 952 CZ TYR A 62 0.158 1.853 -4.006 1.00 0.00 C ATOM 953 OH TYR A 62 -0.388 3.113 -4.031 1.00 0.00 O ATOM 0 H TYR A 62 2.249 -3.754 -1.174 1.00 0.00 H new ATOM 0 HA TYR A 62 0.745 -2.414 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.964 -1.955 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.842 -2.514 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.666 -1.372 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.074 0.317 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.661 0.876 -4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.091 2.557 -3.430 1.00 0.00 H new ATOM 0 HH TYR A 62 0.297 3.771 -3.790 1.00 0.00 H new ATOM 963 N LYS A 63 -0.994 -3.830 -3.080 1.00 0.00 N ATOM 964 CA LYS A 63 -2.094 -4.597 -3.647 1.00 0.00 C ATOM 965 C LYS A 63 -3.423 -4.088 -3.106 1.00 0.00 C ATOM 966 O LYS A 63 -3.895 -4.540 -2.062 1.00 0.00 O ATOM 967 CB LYS A 63 -1.940 -6.093 -3.356 1.00 0.00 C ATOM 968 CG LYS A 63 -1.548 -6.412 -1.923 1.00 0.00 C ATOM 969 CD LYS A 63 -2.386 -7.547 -1.356 1.00 0.00 C ATOM 970 CE LYS A 63 -1.625 -8.324 -0.306 1.00 0.00 C ATOM 971 NZ LYS A 63 -2.427 -9.448 0.249 1.00 0.00 N ATOM 0 H LYS A 63 -1.257 -3.255 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.075 -4.463 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.881 -6.595 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.187 -6.507 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.493 -6.683 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.671 -5.523 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.300 -7.144 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.685 -8.218 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.705 -8.715 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.335 -7.652 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.880 -9.933 0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.309 -9.077 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.654 -10.121 -0.511 1.00 0.00 H new ATOM 985 N ARG A 64 -4.022 -3.139 -3.820 1.00 0.00 N ATOM 986 CA ARG A 64 -5.293 -2.562 -3.406 1.00 0.00 C ATOM 987 C ARG A 64 -6.460 -3.395 -3.930 1.00 0.00 C ATOM 988 O ARG A 64 -6.305 -4.582 -4.211 1.00 0.00 O ATOM 989 CB ARG A 64 -5.413 -1.117 -3.899 1.00 0.00 C ATOM 990 CG ARG A 64 -5.373 -0.975 -5.409 1.00 0.00 C ATOM 991 CD ARG A 64 -3.953 -0.790 -5.914 1.00 0.00 C ATOM 992 NE ARG A 64 -3.927 -0.423 -7.326 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.974 -0.807 -8.172 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.971 -1.565 -7.748 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.022 -0.431 -9.442 1.00 0.00 N ATOM 0 H ARG A 64 -3.646 -2.755 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.328 -2.564 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.347 -0.694 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.604 -0.528 -3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.812 -1.860 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.982 -0.123 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.456 -0.017 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.391 -1.712 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.682 0.161 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.929 -1.855 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.242 -1.858 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.790 0.153 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.291 -0.726 -10.089 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.627 -2.770 -4.059 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.814 -3.454 -4.550 1.00 0.00 C ATOM 1011 C CYS A 65 -9.539 -2.582 -5.563 1.00 0.00 C ATOM 1012 O CYS A 65 -9.469 -1.355 -5.492 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.748 -3.791 -3.389 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.187 -3.159 -1.776 1.00 0.00 S ATOM 0 H CYS A 65 -7.774 -1.787 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.507 -4.380 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.737 -3.385 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.855 -4.874 -3.326 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.235 -3.208 -6.506 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.959 -2.452 -7.514 1.00 0.00 C ATOM 1021 C ARG A 66 -12.097 -1.674 -6.865 1.00 0.00 C ATOM 1022 O ARG A 66 -12.757 -2.163 -5.952 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.492 -3.371 -8.618 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.277 -2.640 -9.697 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.405 -1.651 -10.455 1.00 0.00 C ATOM 1026 NE ARG A 66 -12.174 -0.868 -11.418 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.637 -0.258 -12.471 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.336 -0.352 -12.703 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.405 0.445 -13.294 1.00 0.00 N ATOM 0 H ARG A 66 -10.311 -4.222 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.268 -1.746 -7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.654 -3.892 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.131 -4.131 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.697 -3.364 -10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.115 -2.112 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.920 -0.979 -9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.614 -2.191 -10.976 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.180 -0.784 -11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.743 -0.893 -12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.927 0.117 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.407 0.518 -13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.993 0.913 -14.101 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.320 -0.464 -7.354 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.372 0.385 -6.824 1.00 0.00 C ATOM 1045 C HIS A 67 -14.709 -0.358 -6.776 1.00 0.00 C ATOM 1046 O HIS A 67 -15.090 -1.020 -7.742 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.506 1.638 -7.687 1.00 0.00 C ATOM 1048 CG HIS A 67 -12.227 2.395 -7.854 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.578 2.521 -9.065 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.477 3.079 -6.956 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -10.486 3.247 -8.905 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.403 3.598 -7.636 1.00 0.00 N ATOM 0 H HIS A 67 -11.786 -0.049 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.104 0.668 -5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.879 1.352 -8.670 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.252 2.297 -7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.685 3.194 -5.903 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.781 3.509 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.660 4.164 -7.226 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.441 -0.261 -5.647 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.745 -0.915 -5.494 1.00 0.00 C ATOM 1063 C PRO A 68 -17.728 -0.416 -6.540 1.00 0.00 C ATOM 1064 O PRO A 68 -18.622 -1.147 -6.967 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.198 -0.517 -4.085 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.382 0.678 -3.730 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.071 0.512 -4.449 1.00 0.00 C ATOM 0 HA PRO A 68 -16.689 -1.995 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.263 -0.285 -4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.035 -1.329 -3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.882 1.597 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.231 0.741 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.630 1.474 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.340 -0.018 -3.838 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.557 0.833 -6.950 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.444 1.416 -7.934 1.00 0.00 C ATOM 1077 C GLY A 69 -19.287 2.534 -7.356 1.00 0.00 C ATOM 1078 O GLY A 69 -19.145 2.912 -6.193 1.00 0.00 O ATOM 0 H GLY A 69 -16.818 1.453 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.856 1.801 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.097 0.641 -8.335 1.00 0.00 H new ATOM 1082 N GLU A 70 -20.170 3.054 -8.199 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.061 4.135 -7.810 1.00 0.00 C ATOM 1084 C GLU A 70 -22.260 3.583 -7.048 1.00 0.00 C ATOM 1085 O GLU A 70 -22.908 2.634 -7.489 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.512 4.942 -9.029 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.380 6.140 -8.681 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.792 6.935 -9.904 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.049 7.864 -10.285 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.856 6.628 -10.481 1.00 0.00 O ATOM 0 H GLU A 70 -20.287 2.741 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.514 4.810 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.632 5.287 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.065 4.287 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.272 5.798 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.837 6.790 -7.995 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.571 4.212 -5.918 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.703 3.802 -5.097 1.00 0.00 C ATOM 1099 C LEU A 71 -24.932 4.600 -5.511 1.00 0.00 C ATOM 1100 O LEU A 71 -25.105 5.741 -5.082 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.396 4.040 -3.612 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.970 3.008 -2.630 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.756 3.468 -1.197 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.447 2.757 -2.894 1.00 0.00 C ATOM 0 H LEU A 71 -22.052 5.010 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.891 2.738 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.314 4.069 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.776 5.024 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.440 2.068 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.168 2.727 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.689 3.584 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.258 4.423 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.824 2.022 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -26.000 3.689 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.576 2.380 -3.908 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.782 4.011 -6.347 1.00 0.00 N ATOM 1117 CA ARG A 72 -27.000 4.700 -6.758 1.00 0.00 C ATOM 1118 C ARG A 72 -27.880 4.883 -5.533 1.00 0.00 C ATOM 1119 O ARG A 72 -28.229 3.920 -4.848 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.735 3.951 -7.871 1.00 0.00 C ATOM 1121 CG ARG A 72 -29.093 4.544 -8.212 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.811 3.724 -9.273 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.035 3.623 -10.507 1.00 0.00 N ATOM 1124 CZ ARG A 72 -29.414 2.905 -11.560 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.554 2.228 -11.530 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.654 2.863 -12.646 1.00 0.00 N ATOM 0 H ARG A 72 -25.655 3.080 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.740 5.673 -7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -27.114 3.948 -8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.867 2.911 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.706 4.592 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.966 5.567 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.008 2.724 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.778 4.178 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.153 4.132 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.143 2.257 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.842 1.678 -12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.777 3.382 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.947 2.311 -13.452 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.228 6.141 -5.270 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.993 6.488 -4.088 1.00 0.00 C ATOM 1142 C ASN A 73 -28.138 6.122 -2.892 1.00 0.00 C ATOM 1143 O ASN A 73 -28.621 5.531 -1.928 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.334 5.746 -4.051 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.221 6.090 -5.230 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.150 7.191 -5.776 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -32.066 5.145 -5.629 1.00 0.00 N ATOM 0 H ASN A 73 -27.989 6.934 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.232 7.551 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -30.151 4.672 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.855 5.990 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.690 5.318 -6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -32.091 4.246 -5.147 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.866 6.507 -2.947 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.966 6.180 -1.868 1.00 0.00 C ATOM 1156 C GLY A 74 -24.614 6.855 -1.995 1.00 0.00 C ATOM 1157 O GLY A 74 -24.351 7.562 -2.969 1.00 0.00 O ATOM 0 H GLY A 74 -26.450 7.035 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.423 6.470 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.824 5.100 -1.836 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.757 6.633 -1.003 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.422 7.219 -0.991 1.00 0.00 C ATOM 1163 C GLN A 75 -21.373 6.178 -0.613 1.00 0.00 C ATOM 1164 O GLN A 75 -21.554 5.418 0.332 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.365 8.394 -0.013 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.196 9.592 -0.446 1.00 0.00 C ATOM 1167 CD GLN A 75 -22.640 10.268 -1.684 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.766 11.249 -1.482 1.00 0.00 O flip ATOM 1169 NE2 GLN A 75 -22.994 9.917 -2.809 1.00 0.00 N flip ATOM 0 H GLN A 75 -23.965 6.048 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.204 7.581 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.710 8.058 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.327 8.707 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -24.219 9.269 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -23.239 10.314 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -23.668 9.159 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -22.614 10.384 -3.632 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.281 6.153 -1.366 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.207 5.203 -1.093 1.00 0.00 C ATOM 1180 C VAL A 76 -17.992 5.913 -0.500 1.00 0.00 C ATOM 1181 O VAL A 76 -17.319 6.683 -1.187 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.804 4.410 -2.347 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -18.998 5.249 -3.584 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.376 3.896 -2.234 1.00 0.00 C ATOM 0 H VAL A 76 -20.115 6.770 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.590 4.490 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.453 3.538 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.708 4.673 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.046 5.537 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.380 6.144 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.118 3.339 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.694 4.739 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.292 3.242 -1.366 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.719 5.659 0.773 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.574 6.277 1.435 1.00 0.00 C ATOM 1196 C GLU A 77 -15.261 5.722 0.888 1.00 0.00 C ATOM 1197 O GLU A 77 -14.868 4.601 1.209 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.643 6.049 2.945 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.435 6.590 3.696 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.259 8.085 3.516 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -14.596 8.491 2.537 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.781 8.849 4.354 1.00 0.00 O ATOM 0 H GLU A 77 -18.268 5.035 1.365 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.609 7.348 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.545 6.521 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.733 4.980 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.541 6.365 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.537 6.078 3.350 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.584 6.514 0.060 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.313 6.103 -0.528 1.00 0.00 C ATOM 1211 C ILE A 78 -12.255 7.184 -0.356 1.00 0.00 C ATOM 1212 O ILE A 78 -12.322 8.241 -0.984 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.454 5.773 -2.028 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.233 4.471 -2.212 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.088 5.681 -2.695 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.541 3.251 -1.642 1.00 0.00 C ATOM 0 H ILE A 78 -14.895 7.445 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.003 5.202 0.001 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.008 6.581 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.210 4.575 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.408 4.312 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.214 5.447 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.569 6.634 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.502 4.896 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.158 2.369 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.576 3.119 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.390 3.386 -0.571 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.285 6.911 0.504 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.210 7.855 0.763 1.00 0.00 C ATOM 1230 C LYS A 79 -8.845 7.179 0.732 1.00 0.00 C ATOM 1231 O LYS A 79 -7.882 7.731 0.202 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.417 8.531 2.124 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.357 7.783 3.066 1.00 0.00 C ATOM 1234 CD LYS A 79 -10.953 6.340 3.279 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.618 5.762 4.515 1.00 0.00 C ATOM 1236 NZ LYS A 79 -11.494 6.668 5.691 1.00 0.00 N ATOM 0 H LYS A 79 -11.221 6.042 1.035 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.235 8.604 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.448 8.643 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.809 9.535 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.381 8.294 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.369 7.816 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.228 5.750 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.870 6.274 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.672 5.580 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.168 4.798 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.525 6.107 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.591 7.181 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.280 7.350 5.689 1.00 0.00 H new ATOM 1250 N THR A 80 -8.766 5.982 1.300 1.00 0.00 N ATOM 1251 CA THR A 80 -7.512 5.245 1.365 1.00 0.00 C ATOM 1252 C THR A 80 -7.167 4.562 0.047 1.00 0.00 C ATOM 1253 O THR A 80 -6.312 3.677 0.011 1.00 0.00 O ATOM 1254 CB THR A 80 -7.562 4.187 2.479 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.473 3.140 2.120 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.999 4.813 3.797 1.00 0.00 C ATOM 0 H THR A 80 -9.559 5.500 1.723 1.00 0.00 H new ATOM 0 HA THR A 80 -6.735 5.979 1.580 1.00 0.00 H new ATOM 0 HB THR A 80 -6.562 3.772 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.498 2.469 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.028 4.047 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.291 5.591 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.991 5.249 3.681 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.829 4.969 -1.035 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.562 4.384 -2.349 1.00 0.00 C ATOM 1266 C ASP A 81 -7.876 2.897 -2.373 1.00 0.00 C ATOM 1267 O ASP A 81 -7.562 2.199 -3.338 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.101 4.571 -2.713 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.749 6.016 -3.009 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.480 6.769 -2.051 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.741 6.394 -4.200 1.00 0.00 O ATOM 0 H ASP A 81 -8.547 5.694 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.204 4.893 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.478 4.211 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.867 3.959 -3.584 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.485 2.426 -1.297 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.852 1.024 -1.163 1.00 0.00 C ATOM 1278 C LEU A 82 -7.620 0.151 -1.031 1.00 0.00 C ATOM 1279 O LEU A 82 -7.420 -0.780 -1.809 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.659 0.584 -2.366 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.948 1.354 -2.585 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.749 2.450 -3.620 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -12.039 0.401 -3.001 1.00 0.00 C ATOM 0 H LEU A 82 -8.739 3.002 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.453 0.915 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.039 0.681 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.898 -0.474 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.243 1.835 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.685 2.990 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.980 3.141 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.439 2.005 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.965 0.954 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.753 -0.098 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.189 -0.343 -2.219 1.00 0.00 H new ATOM 1295 N SER A 83 -6.804 0.446 -0.043 1.00 0.00 N ATOM 1296 CA SER A 83 -5.620 -0.354 0.223 1.00 0.00 C ATOM 1297 C SER A 83 -6.013 -1.516 1.128 1.00 0.00 C ATOM 1298 O SER A 83 -6.620 -1.299 2.179 1.00 0.00 O ATOM 1299 CB SER A 83 -4.530 0.494 0.883 1.00 0.00 C ATOM 1300 OG SER A 83 -4.978 1.033 2.115 1.00 0.00 O ATOM 0 H SER A 83 -6.935 1.233 0.592 1.00 0.00 H new ATOM 0 HA SER A 83 -5.218 -0.736 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.642 -0.116 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.239 1.303 0.213 1.00 0.00 H new ATOM 0 HG SER A 83 -5.727 0.499 2.453 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.687 -2.743 0.718 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.031 -3.934 1.500 1.00 0.00 C ATOM 1308 C PHE A 84 -5.936 -3.653 2.994 1.00 0.00 C ATOM 1309 O PHE A 84 -5.051 -2.922 3.441 1.00 0.00 O ATOM 1310 CB PHE A 84 -5.119 -5.107 1.132 1.00 0.00 C ATOM 1311 CG PHE A 84 -5.250 -6.286 2.058 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -6.174 -7.285 1.804 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.448 -6.393 3.184 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -6.297 -8.368 2.654 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.567 -7.472 4.037 1.00 0.00 C ATOM 1316 CZ PHE A 84 -5.493 -8.461 3.772 1.00 0.00 C ATOM 0 H PHE A 84 -5.186 -2.939 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.061 -4.200 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.346 -5.427 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.084 -4.766 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.806 -7.217 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.721 -5.623 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.022 -9.141 2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.936 -7.542 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.588 -9.306 4.438 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.841 -4.244 3.768 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.845 -4.034 5.199 1.00 0.00 C ATOM 1328 C GLY A 85 -7.566 -2.758 5.577 1.00 0.00 C ATOM 1329 O GLY A 85 -7.210 -2.106 6.560 1.00 0.00 O ATOM 0 H GLY A 85 -7.573 -4.866 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.324 -4.881 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.819 -3.993 5.563 1.00 0.00 H new ATOM 1333 N SER A 86 -8.587 -2.396 4.798 1.00 0.00 N ATOM 1334 CA SER A 86 -9.342 -1.178 5.066 1.00 0.00 C ATOM 1335 C SER A 86 -10.846 -1.375 4.920 1.00 0.00 C ATOM 1336 O SER A 86 -11.321 -2.281 4.237 1.00 0.00 O ATOM 1337 CB SER A 86 -8.890 -0.042 4.148 1.00 0.00 C ATOM 1338 OG SER A 86 -9.033 -0.399 2.786 1.00 0.00 O ATOM 0 H SER A 86 -8.905 -2.925 3.986 1.00 0.00 H new ATOM 0 HA SER A 86 -9.137 -0.916 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.477 0.853 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.849 0.204 4.355 1.00 0.00 H new ATOM 0 HG SER A 86 -8.192 -0.781 2.458 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.568 -0.491 5.588 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.023 -0.513 5.571 1.00 0.00 C ATOM 1346 C GLN A 87 -13.556 0.744 4.884 1.00 0.00 C ATOM 1347 O GLN A 87 -13.047 1.843 5.105 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.570 -0.639 7.000 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.934 -0.001 7.210 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.831 1.417 7.738 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.793 2.383 6.831 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.790 1.639 8.949 1.00 0.00 N flip ATOM 0 H GLN A 87 -11.167 0.257 6.154 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.362 -1.381 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.633 -1.696 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.859 -0.183 7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.480 0.004 6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.512 -0.606 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.822 0.864 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.724 2.598 9.290 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.563 0.571 4.031 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.164 1.694 3.318 1.00 0.00 C ATOM 1363 C ILE A 88 -16.678 1.711 3.508 1.00 0.00 C ATOM 1364 O ILE A 88 -17.415 1.021 2.804 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.832 1.667 1.811 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.210 0.322 1.189 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.353 1.955 1.594 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.327 0.372 -0.319 1.00 0.00 C ATOM 0 H ILE A 88 -14.979 -0.335 3.817 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.736 2.602 3.743 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.419 2.442 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.461 -0.421 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.159 -0.011 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.131 1.933 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.111 2.939 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.756 1.199 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.597 -0.614 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.096 1.091 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.372 0.675 -0.748 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.136 2.498 4.475 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.557 2.602 4.759 1.00 0.00 C ATOM 1382 C GLU A 89 -19.298 3.225 3.588 1.00 0.00 C ATOM 1383 O GLU A 89 -18.686 3.661 2.613 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.790 3.440 6.017 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.640 3.396 7.006 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.939 4.159 8.282 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.714 5.387 8.307 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.401 3.527 9.256 1.00 0.00 O ATOM 0 H GLU A 89 -16.542 3.072 5.074 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.941 1.595 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.966 4.475 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.696 3.090 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.416 2.358 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.748 3.812 6.539 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.620 3.265 3.690 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.444 3.845 2.643 1.00 0.00 C ATOM 1397 C PHE A 90 -22.538 4.720 3.243 1.00 0.00 C ATOM 1398 O PHE A 90 -22.561 4.949 4.453 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.051 2.747 1.768 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.022 1.926 1.040 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.572 2.298 -0.224 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.500 0.781 1.621 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.626 1.542 -0.886 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.554 0.024 0.959 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.116 0.403 -0.294 1.00 0.00 C ATOM 0 H PHE A 90 -21.142 2.902 4.487 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.811 4.473 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.656 2.088 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.723 3.202 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.967 3.188 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.837 0.478 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.285 1.841 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.156 -0.867 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.376 -0.190 -0.811 1.00 0.00 H new ATOM 1415 N SER A 91 -23.447 5.198 2.400 1.00 0.00 N ATOM 1416 CA SER A 91 -24.524 6.062 2.879 1.00 0.00 C ATOM 1417 C SER A 91 -25.676 6.159 1.887 1.00 0.00 C ATOM 1418 O SER A 91 -25.554 6.781 0.838 1.00 0.00 O ATOM 1419 CB SER A 91 -23.994 7.465 3.174 1.00 0.00 C ATOM 1420 OG SER A 91 -22.999 7.442 4.182 1.00 0.00 O ATOM 0 H SER A 91 -23.463 5.007 1.398 1.00 0.00 H new ATOM 0 HA SER A 91 -24.905 5.608 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.581 7.898 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.817 8.108 3.488 1.00 0.00 H new ATOM 0 HG SER A 91 -23.018 6.576 4.641 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.801 5.562 2.254 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.975 5.613 1.390 1.00 0.00 C ATOM 1428 C CYS A 92 -28.703 6.938 1.622 1.00 0.00 C ATOM 1429 O CYS A 92 -29.059 7.274 2.751 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.901 4.416 1.631 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.226 2.811 1.081 1.00 0.00 S ATOM 0 H CYS A 92 -26.927 5.046 3.125 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.657 5.555 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.125 4.355 2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.845 4.594 1.116 1.00 0.00 H new ATOM 1436 N SER A 93 -28.900 7.683 0.537 1.00 0.00 N ATOM 1437 CA SER A 93 -29.545 9.000 0.588 1.00 0.00 C ATOM 1438 C SER A 93 -30.752 9.066 1.528 1.00 0.00 C ATOM 1439 O SER A 93 -31.333 8.054 1.903 1.00 0.00 O ATOM 1440 CB SER A 93 -29.982 9.427 -0.813 1.00 0.00 C ATOM 1441 OG SER A 93 -30.722 8.402 -1.452 1.00 0.00 O ATOM 0 H SER A 93 -28.620 7.396 -0.401 1.00 0.00 H new ATOM 0 HA SER A 93 -28.794 9.681 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.588 10.331 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.105 9.673 -1.411 1.00 0.00 H new ATOM 0 HG SER A 93 -30.991 8.701 -2.346 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.104 10.300 1.883 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.238 10.611 2.758 1.00 0.00 C ATOM 1449 C GLU A 94 -33.351 9.563 2.736 1.00 0.00 C ATOM 1450 O GLU A 94 -33.499 8.791 3.684 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.812 11.973 2.364 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.148 12.289 3.013 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.090 12.248 4.528 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -33.670 13.255 5.136 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.464 11.206 5.108 1.00 0.00 O ATOM 0 H GLU A 94 -30.601 11.129 1.566 1.00 0.00 H new ATOM 0 HA GLU A 94 -31.852 10.619 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.096 12.750 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.928 12.008 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.477 13.278 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.894 11.576 2.663 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.127 9.537 1.666 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.258 8.625 1.589 1.00 0.00 C ATOM 1464 C GLY A 95 -34.884 7.159 1.506 1.00 0.00 C ATOM 1465 O GLY A 95 -35.691 6.301 1.853 1.00 0.00 O ATOM 0 H GLY A 95 -33.998 10.130 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.889 8.776 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.857 8.883 0.716 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.679 6.852 1.053 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.277 5.454 0.920 1.00 0.00 C ATOM 1471 C PHE A 96 -32.270 5.080 2.001 1.00 0.00 C ATOM 1472 O PHE A 96 -31.249 5.739 2.162 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.664 5.194 -0.458 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.512 5.664 -1.606 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.412 6.965 -2.073 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -34.407 4.804 -2.220 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.188 7.398 -3.131 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -35.186 5.231 -3.278 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.077 6.530 -3.734 1.00 0.00 C ATOM 0 H PHE A 96 -32.973 7.533 0.775 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.170 4.839 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.694 5.688 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.484 4.125 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -32.719 7.648 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -34.497 3.787 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -34.099 8.414 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -35.880 4.550 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.686 6.866 -4.560 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.568 4.023 2.751 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.667 3.565 3.801 1.00 0.00 C ATOM 1491 C PHE A 97 -30.771 2.455 3.274 1.00 0.00 C ATOM 1492 O PHE A 97 -30.984 1.925 2.183 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.446 3.109 5.043 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.276 1.871 4.847 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.408 1.897 4.051 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.931 0.686 5.475 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.181 0.764 3.880 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.702 -0.451 5.313 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.827 -0.411 4.514 1.00 0.00 C ATOM 0 H PHE A 97 -33.420 3.472 2.652 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.037 4.402 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.739 2.931 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.099 3.921 5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.691 2.815 3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.050 0.649 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.059 0.797 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.424 -1.368 5.811 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.430 -1.298 4.385 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.769 2.112 4.072 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.809 1.092 3.682 1.00 0.00 C ATOM 1511 C LEU A 98 -29.236 -0.300 4.118 1.00 0.00 C ATOM 1512 O LEU A 98 -29.790 -0.492 5.200 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.433 1.416 4.254 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.289 0.600 3.656 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.985 1.365 3.764 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.182 -0.752 4.342 1.00 0.00 C ATOM 0 H LEU A 98 -29.601 2.524 4.990 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.763 1.094 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.228 2.475 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.454 1.253 5.332 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.499 0.427 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.178 0.771 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.070 2.308 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.767 1.567 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.361 -1.319 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.994 -0.606 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -27.114 -1.301 4.211 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.962 -1.267 3.250 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.271 -2.674 3.485 1.00 0.00 C ATOM 1530 C ILE A 99 -28.370 -3.533 2.618 1.00 0.00 C ATOM 1531 O ILE A 99 -28.512 -3.596 1.397 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.726 -3.021 3.117 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.606 -1.778 3.154 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.267 -4.090 4.052 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.828 -1.871 2.267 1.00 0.00 C ATOM 0 H ILE A 99 -28.513 -1.094 2.351 1.00 0.00 H new ATOM 0 HA ILE A 99 -29.119 -2.863 4.548 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.739 -3.412 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.926 -1.601 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -31.013 -0.915 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.296 -4.325 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.656 -4.989 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.238 -3.724 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.406 -0.950 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.517 -2.017 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.444 -2.713 2.583 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.437 -4.191 3.290 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.468 -5.040 2.629 1.00 0.00 C ATOM 1549 C GLY A 100 -25.252 -5.257 3.500 1.00 0.00 C ATOM 1550 O GLY A 100 -24.950 -6.377 3.913 1.00 0.00 O ATOM 0 H GLY A 100 -27.334 -4.149 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.924 -6.001 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.167 -4.587 1.685 1.00 0.00 H new ATOM 1554 N SER A 101 -24.567 -4.157 3.771 1.00 0.00 N ATOM 1555 CA SER A 101 -23.369 -4.138 4.592 1.00 0.00 C ATOM 1556 C SER A 101 -22.812 -2.724 4.588 1.00 0.00 C ATOM 1557 O SER A 101 -22.150 -2.318 3.632 1.00 0.00 O ATOM 1558 CB SER A 101 -22.333 -5.124 4.056 1.00 0.00 C ATOM 1559 OG SER A 101 -21.805 -4.690 2.813 1.00 0.00 O ATOM 0 H SER A 101 -24.834 -3.237 3.420 1.00 0.00 H new ATOM 0 HA SER A 101 -23.613 -4.439 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.524 -5.234 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.790 -6.106 3.937 1.00 0.00 H new ATOM 0 HG SER A 101 -22.011 -3.741 2.684 1.00 0.00 H new ATOM 1565 N THR A 102 -23.080 -1.966 5.647 1.00 0.00 N ATOM 1566 CA THR A 102 -22.631 -0.584 5.714 1.00 0.00 C ATOM 1567 C THR A 102 -21.120 -0.502 5.650 1.00 0.00 C ATOM 1568 O THR A 102 -20.555 0.579 5.497 1.00 0.00 O ATOM 1569 CB THR A 102 -23.113 0.117 6.999 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.452 -0.446 8.140 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.618 -0.018 7.168 1.00 0.00 C ATOM 0 H THR A 102 -23.602 -2.284 6.463 1.00 0.00 H new ATOM 0 HA THR A 102 -23.065 -0.075 4.854 1.00 0.00 H new ATOM 0 HB THR A 102 -22.869 1.176 6.916 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.762 0.005 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.928 0.486 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.122 0.436 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.884 -1.073 7.227 1.00 0.00 H new ATOM 1579 N THR A 103 -20.470 -1.644 5.770 1.00 0.00 N ATOM 1580 CA THR A 103 -19.029 -1.693 5.715 1.00 0.00 C ATOM 1581 C THR A 103 -18.581 -2.558 4.553 1.00 0.00 C ATOM 1582 O THR A 103 -19.315 -3.436 4.100 1.00 0.00 O ATOM 1583 CB THR A 103 -18.440 -2.225 7.022 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.858 -3.579 7.241 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.872 -1.354 8.188 1.00 0.00 C ATOM 0 H THR A 103 -20.921 -2.549 5.906 1.00 0.00 H new ATOM 0 HA THR A 103 -18.663 -0.676 5.570 1.00 0.00 H new ATOM 0 HB THR A 103 -17.353 -2.199 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.473 -3.909 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.445 -1.745 9.112 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.522 -0.334 8.030 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.960 -1.357 8.261 1.00 0.00 H new ATOM 1593 N SER A 104 -17.376 -2.306 4.073 1.00 0.00 N ATOM 1594 CA SER A 104 -16.797 -3.085 2.999 1.00 0.00 C ATOM 1595 C SER A 104 -15.297 -3.198 3.241 1.00 0.00 C ATOM 1596 O SER A 104 -14.575 -2.202 3.186 1.00 0.00 O ATOM 1597 CB SER A 104 -17.093 -2.448 1.637 1.00 0.00 C ATOM 1598 OG SER A 104 -18.432 -2.693 1.245 1.00 0.00 O ATOM 0 H SER A 104 -16.775 -1.557 4.417 1.00 0.00 H new ATOM 0 HA SER A 104 -17.240 -4.081 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.915 -1.374 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.411 -2.849 0.887 1.00 0.00 H new ATOM 0 HG SER A 104 -18.511 -3.608 0.903 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.831 -4.412 3.507 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.420 -4.661 3.792 1.00 0.00 C ATOM 1606 C ARG A 105 -12.711 -5.266 2.591 1.00 0.00 C ATOM 1607 O ARG A 105 -13.327 -5.931 1.759 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.282 -5.589 5.000 1.00 0.00 C ATOM 1609 CG ARG A 105 -14.043 -5.107 6.225 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.790 -6.000 7.428 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.402 -5.936 7.874 1.00 0.00 N ATOM 1612 CZ ARG A 105 -11.913 -6.671 8.868 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.696 -7.526 9.513 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -10.640 -6.552 9.218 1.00 0.00 N ATOM 0 H ARG A 105 -15.415 -5.248 3.532 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.950 -3.703 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.639 -6.582 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.227 -5.688 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.745 -4.085 6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -15.110 -5.085 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.447 -5.703 8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.042 -7.030 7.175 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.772 -5.291 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.676 -7.621 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.318 -8.089 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.035 -5.896 8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.266 -7.116 9.981 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.404 -5.056 2.528 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.601 -5.556 1.427 1.00 0.00 C ATOM 1630 C CYS A 106 -9.793 -6.770 1.850 1.00 0.00 C ATOM 1631 O CYS A 106 -8.942 -6.685 2.736 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.663 -4.460 0.920 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.878 -4.839 -0.678 1.00 0.00 S ATOM 0 H CYS A 106 -10.877 -4.539 3.232 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.275 -5.854 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -10.224 -3.530 0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.885 -4.289 1.664 1.00 0.00 H new ATOM 1638 N GLU A 107 -10.072 -7.900 1.218 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.392 -9.144 1.536 1.00 0.00 C ATOM 1640 C GLU A 107 -8.590 -9.615 0.335 1.00 0.00 C ATOM 1641 O GLU A 107 -8.606 -8.969 -0.709 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.420 -10.194 1.961 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.816 -11.419 2.632 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.974 -11.069 3.843 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.554 -10.857 4.929 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.734 -11.009 3.706 1.00 0.00 O ATOM 0 H GLU A 107 -10.769 -7.980 0.478 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.700 -8.985 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.133 -9.733 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.981 -10.514 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.617 -12.094 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.201 -11.957 1.911 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.873 -10.723 0.481 1.00 0.00 N ATOM 1654 CA VAL A 108 -7.069 -11.235 -0.620 1.00 0.00 C ATOM 1655 C VAL A 108 -7.155 -12.745 -0.785 1.00 0.00 C ATOM 1656 O VAL A 108 -6.993 -13.510 0.166 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.589 -10.841 -0.465 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.711 -11.654 -1.405 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.414 -9.359 -0.724 1.00 0.00 C ATOM 0 H VAL A 108 -7.832 -11.276 1.337 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.490 -10.775 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.280 -11.057 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.670 -11.358 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.817 -12.714 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.016 -11.473 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.363 -9.092 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.741 -9.126 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.011 -8.792 -0.010 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.416 -13.147 -2.021 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.491 -14.557 -2.366 1.00 0.00 C ATOM 1671 C GLN A 109 -6.210 -14.986 -3.076 1.00 0.00 C ATOM 1672 O GLN A 109 -6.054 -14.765 -4.277 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.707 -14.828 -3.260 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.930 -13.981 -2.928 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.424 -14.176 -1.506 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.110 -13.166 -0.973 1.00 0.00 O flip ATOM 1677 NE2 GLN A 109 -10.208 -15.225 -0.898 1.00 0.00 N flip ATOM 0 H GLN A 109 -7.580 -12.513 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.602 -15.136 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.427 -14.650 -4.298 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.976 -15.881 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.688 -12.929 -3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.734 -14.227 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.678 -15.973 -1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.559 -15.346 0.052 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.292 -15.590 -2.320 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.014 -16.039 -2.864 1.00 0.00 C ATOM 1688 C ASP A 110 -3.154 -14.852 -3.286 1.00 0.00 C ATOM 1689 O ASP A 110 -2.362 -14.332 -2.499 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.241 -16.979 -4.047 1.00 0.00 C ATOM 1691 CG ASP A 110 -2.961 -17.302 -4.793 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -2.143 -18.082 -4.260 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -2.775 -16.774 -5.909 1.00 0.00 O ATOM 0 H ASP A 110 -5.413 -15.779 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.483 -16.582 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.691 -17.905 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.953 -16.524 -4.736 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.316 -14.431 -4.532 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.569 -13.301 -5.067 1.00 0.00 C ATOM 1700 C ARG A 111 -3.504 -12.311 -5.744 1.00 0.00 C ATOM 1701 O ARG A 111 -3.079 -11.257 -6.218 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.502 -13.774 -6.047 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.445 -14.664 -5.415 1.00 0.00 C ATOM 1704 CD ARG A 111 0.674 -14.980 -6.393 1.00 0.00 C ATOM 1705 NE ARG A 111 1.410 -13.782 -6.790 1.00 0.00 N ATOM 1706 CZ ARG A 111 2.482 -13.801 -7.576 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.935 -14.951 -8.058 1.00 0.00 N ATOM 1708 NH2 ARG A 111 3.099 -12.669 -7.885 1.00 0.00 N ATOM 0 H ARG A 111 -3.962 -14.858 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.075 -12.799 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.983 -14.317 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.016 -12.904 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.032 -14.171 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.905 -15.592 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.361 -15.694 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.257 -15.459 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 111 1.083 -12.880 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.461 -15.824 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.758 -14.963 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.751 -11.782 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.921 -12.685 -8.488 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.782 -12.662 -5.786 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.771 -11.796 -6.386 1.00 0.00 C ATOM 1724 C GLY A 112 -6.710 -11.243 -5.346 1.00 0.00 C ATOM 1725 O GLY A 112 -7.649 -11.918 -4.925 1.00 0.00 O ATOM 0 H GLY A 112 -5.151 -13.537 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.274 -10.976 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.338 -12.350 -7.134 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.441 -10.014 -4.926 1.00 0.00 N ATOM 1730 CA VAL A 113 -7.251 -9.353 -3.909 1.00 0.00 C ATOM 1731 C VAL A 113 -8.719 -9.650 -4.121 1.00 0.00 C ATOM 1732 O VAL A 113 -9.207 -9.643 -5.252 1.00 0.00 O ATOM 1733 CB VAL A 113 -7.062 -7.831 -3.926 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -7.034 -7.266 -2.518 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.800 -7.471 -4.680 1.00 0.00 C ATOM 0 H VAL A 113 -5.665 -9.452 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.920 -9.742 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.913 -7.385 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.899 -6.185 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.974 -7.494 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.209 -7.712 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.676 -6.388 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.941 -7.932 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.873 -7.833 -5.705 1.00 0.00 H new ATOM 1745 N GLY A 114 -9.421 -9.908 -3.039 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.822 -10.204 -3.172 1.00 0.00 C ATOM 1747 C GLY A 114 -11.676 -9.180 -2.462 1.00 0.00 C ATOM 1748 O GLY A 114 -11.332 -8.731 -1.369 1.00 0.00 O ATOM 0 H GLY A 114 -9.055 -9.918 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.090 -10.233 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.026 -11.194 -2.764 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.790 -8.805 -3.071 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.703 -7.842 -2.475 1.00 0.00 C ATOM 1754 C TRP A 115 -14.848 -8.573 -1.787 1.00 0.00 C ATOM 1755 O TRP A 115 -15.795 -9.010 -2.442 1.00 0.00 O ATOM 1756 CB TRP A 115 -14.259 -6.882 -3.532 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.853 -5.453 -3.321 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.268 -4.624 -4.236 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.999 -4.684 -2.121 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.047 -3.387 -3.677 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.483 -3.400 -2.383 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -14.515 -4.951 -0.850 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.469 -2.392 -1.425 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.499 -3.947 0.099 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.979 -2.682 -0.193 1.00 0.00 C ATOM 0 H TRP A 115 -13.085 -9.155 -3.983 1.00 0.00 H new ATOM 0 HA TRP A 115 -13.150 -7.257 -1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.922 -7.205 -4.517 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -15.347 -6.945 -3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.016 -4.900 -5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.626 -2.589 -4.152 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.919 -5.924 -0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.069 -1.414 -1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.895 -4.143 1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.981 -1.919 0.572 1.00 0.00 H new ATOM 1776 N SER A 116 -14.751 -8.712 -0.467 1.00 0.00 N ATOM 1777 CA SER A 116 -15.778 -9.401 0.306 1.00 0.00 C ATOM 1778 C SER A 116 -17.175 -8.955 -0.122 1.00 0.00 C ATOM 1779 O SER A 116 -17.986 -9.767 -0.568 1.00 0.00 O ATOM 1780 CB SER A 116 -15.581 -9.146 1.802 1.00 0.00 C ATOM 1781 OG SER A 116 -15.642 -7.761 2.097 1.00 0.00 O ATOM 0 H SER A 116 -13.972 -8.357 0.088 1.00 0.00 H new ATOM 0 HA SER A 116 -15.684 -10.470 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.347 -9.675 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.618 -9.546 2.118 1.00 0.00 H new ATOM 0 HG SER A 116 -14.776 -7.346 1.901 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.446 -7.659 0.015 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.742 -7.099 -0.362 1.00 0.00 C ATOM 1789 C HIS A 117 -18.593 -5.658 -0.847 1.00 0.00 C ATOM 1790 O HIS A 117 -17.964 -4.836 -0.181 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.713 -7.149 0.821 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.153 -8.534 1.182 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.887 -9.334 0.332 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -19.957 -9.262 2.306 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -21.124 -10.494 0.920 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -20.571 -10.476 2.118 1.00 0.00 N ATOM 0 H HIS A 117 -16.785 -6.976 0.385 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.142 -7.702 -1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.238 -6.691 1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.591 -6.549 0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -19.418 -8.947 3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.677 -11.317 0.492 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -20.596 -11.239 2.794 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.168 -5.334 -2.020 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.106 -3.997 -2.597 1.00 0.00 C ATOM 1807 C PRO A 118 -20.310 -3.142 -2.212 1.00 0.00 C ATOM 1808 O PRO A 118 -20.797 -3.206 -1.083 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.121 -4.305 -4.088 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.023 -5.490 -4.205 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.921 -6.248 -2.898 1.00 0.00 C ATOM 0 HA PRO A 118 -18.243 -3.424 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.495 -3.460 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.121 -4.527 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.050 -5.177 -4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.725 -6.121 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.906 -6.475 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.402 -7.198 -3.026 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.779 -2.343 -3.164 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.919 -1.467 -2.954 1.00 0.00 C ATOM 1821 C LEU A 119 -23.122 -2.213 -2.372 1.00 0.00 C ATOM 1822 O LEU A 119 -23.435 -3.328 -2.790 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.304 -0.823 -4.282 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.142 -0.225 -5.077 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -21.649 0.434 -6.344 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.376 0.769 -4.221 1.00 0.00 C ATOM 0 H LEU A 119 -20.378 -2.286 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.630 -0.705 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.799 -1.572 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.033 -0.037 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.463 -1.029 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.809 0.854 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -22.156 -0.307 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.347 1.230 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.552 1.187 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.044 1.572 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -19.981 0.262 -3.340 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.812 -1.595 -1.391 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.989 -2.184 -0.750 1.00 0.00 C ATOM 1840 C PRO A 120 -26.277 -1.890 -1.516 1.00 0.00 C ATOM 1841 O PRO A 120 -26.240 -1.413 -2.651 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.006 -1.484 0.604 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.476 -0.119 0.316 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.485 -0.276 -0.813 1.00 0.00 C ATOM 0 HA PRO A 120 -24.937 -3.271 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.014 -1.441 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.385 -2.007 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.282 0.559 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.996 0.305 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.589 0.520 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.458 -0.242 -0.451 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.416 -2.179 -0.888 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.712 -1.945 -1.506 1.00 0.00 C ATOM 1854 C GLN A 121 -29.447 -0.785 -0.837 1.00 0.00 C ATOM 1855 O GLN A 121 -29.776 -0.847 0.349 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.558 -3.211 -1.422 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.254 -4.223 -2.514 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.074 -5.492 -2.385 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.295 -5.361 -1.878 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -29.618 -6.578 -2.740 1.00 0.00 N flip ATOM 0 H GLN A 121 -27.463 -2.576 0.050 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.547 -1.681 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.399 -3.679 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.612 -2.937 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.446 -3.770 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -28.194 -4.476 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -28.675 -6.634 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.183 -7.422 -2.650 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.700 0.271 -1.605 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.406 1.432 -1.068 1.00 0.00 C ATOM 1871 C CYS A 122 -31.881 1.398 -1.467 1.00 0.00 C ATOM 1872 O CYS A 122 -32.227 1.555 -2.638 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.761 2.735 -1.546 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.063 3.008 -0.934 1.00 0.00 S ATOM 0 H CYS A 122 -29.432 0.348 -2.586 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.336 1.392 0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.746 2.740 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.386 3.571 -1.232 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.741 1.191 -0.472 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.186 1.134 -0.686 1.00 0.00 C ATOM 1881 C GLU A 123 -34.872 2.238 0.106 1.00 0.00 C ATOM 1882 O GLU A 123 -34.463 2.587 1.210 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.736 -0.223 -0.245 1.00 0.00 C ATOM 1884 CG GLU A 123 -34.101 -1.401 -0.959 1.00 0.00 C ATOM 1885 CD GLU A 123 -34.284 -1.343 -2.464 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.313 -1.853 -2.955 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -33.400 -0.788 -3.149 1.00 0.00 O ATOM 0 H GLU A 123 -32.459 1.059 0.499 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.384 1.271 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.583 -0.335 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.812 -0.242 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -33.036 -1.429 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -34.534 -2.327 -0.580 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.924 2.780 -0.498 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.692 3.864 0.100 1.00 0.00 C ATOM 1896 C ILE A 124 -37.274 3.463 1.453 1.00 0.00 C ATOM 1897 O ILE A 124 -37.463 2.280 1.738 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.839 4.310 -0.833 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.290 5.731 -0.487 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.013 3.343 -0.747 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.263 6.790 -0.826 1.00 0.00 C ATOM 0 H ILE A 124 -36.266 2.482 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.002 4.694 0.248 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.466 4.304 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.215 5.950 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.516 5.783 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.809 3.677 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.686 2.346 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.385 3.313 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.650 7.772 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.344 6.596 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.055 6.766 -1.896 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.554 4.465 2.280 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.123 4.239 3.603 1.00 0.00 C ATOM 1915 C LEU A 125 -39.612 3.914 3.505 1.00 0.00 C ATOM 1916 O LEU A 125 -40.084 3.434 2.473 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.908 5.472 4.484 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.445 5.815 4.776 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.345 7.148 5.501 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.788 4.711 5.593 1.00 0.00 C ATOM 0 H LEU A 125 -37.395 5.447 2.055 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.616 3.386 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.377 6.330 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.425 5.317 5.431 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.916 5.899 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.298 7.376 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.775 7.933 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.890 7.091 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.749 4.974 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.318 4.593 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.826 3.775 5.036 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.349 4.179 4.580 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.782 3.908 4.613 1.00 0.00 C ATOM 1934 C GLU A 126 -42.580 5.057 4.002 1.00 0.00 C ATOM 1935 O GLU A 126 -43.535 4.834 3.256 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.238 3.664 6.053 1.00 0.00 C ATOM 1937 CG GLU A 126 -43.685 3.210 6.169 1.00 0.00 C ATOM 1938 CD GLU A 126 -43.938 1.886 5.476 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.778 0.834 6.130 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -44.294 1.902 4.278 1.00 0.00 O ATOM 0 H GLU A 126 -39.977 4.581 5.440 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.967 3.014 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.593 2.911 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.108 4.582 6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -43.951 3.121 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -44.336 3.971 5.739 1.00 0.00 H new ATOM 1947 N HIS A 127 -42.186 6.287 4.321 1.00 0.00 N ATOM 1948 CA HIS A 127 -42.871 7.468 3.805 1.00 0.00 C ATOM 1949 C HIS A 127 -42.084 8.114 2.669 1.00 0.00 C ATOM 1950 O HIS A 127 -40.897 8.407 2.813 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.092 8.485 4.926 1.00 0.00 C ATOM 1952 CG HIS A 127 -43.983 7.987 6.020 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -45.359 8.083 5.972 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -43.691 7.387 7.197 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -45.873 7.563 7.072 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -44.882 7.133 7.831 1.00 0.00 N ATOM 0 H HIS A 127 -41.397 6.491 4.934 1.00 0.00 H new ATOM 0 HA HIS A 127 -43.836 7.148 3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -42.127 8.759 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -43.523 9.392 4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -42.705 7.152 7.569 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -46.925 7.500 7.310 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -44.985 6.685 8.741 1.00 0.00 H new ATOM 1965 N HIS A 128 -42.759 8.337 1.542 1.00 0.00 N ATOM 1966 CA HIS A 128 -42.130 8.954 0.378 1.00 0.00 C ATOM 1967 C HIS A 128 -43.136 9.132 -0.757 1.00 0.00 C ATOM 1968 O HIS A 128 -43.727 8.161 -1.234 1.00 0.00 O ATOM 1969 CB HIS A 128 -40.948 8.111 -0.106 1.00 0.00 C ATOM 1970 CG HIS A 128 -40.184 8.742 -1.229 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -40.327 8.359 -2.546 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -39.266 9.738 -1.227 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -39.530 9.092 -3.305 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -38.877 9.935 -2.528 1.00 0.00 N ATOM 0 H HIS A 128 -43.742 8.099 1.412 1.00 0.00 H new ATOM 0 HA HIS A 128 -41.766 9.937 0.679 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -40.271 7.935 0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -41.315 7.137 -0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -38.907 10.277 -0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -39.431 9.014 -4.378 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -38.193 10.623 -2.844 1.00 0.00 H new ATOM 1983 N HIS A 129 -43.328 10.377 -1.183 1.00 0.00 N ATOM 1984 CA HIS A 129 -44.255 10.685 -2.266 1.00 0.00 C ATOM 1985 C HIS A 129 -43.550 11.465 -3.372 1.00 0.00 C ATOM 1986 O HIS A 129 -43.176 10.903 -4.401 1.00 0.00 O ATOM 1987 CB HIS A 129 -45.447 11.488 -1.742 1.00 0.00 C ATOM 1988 CG HIS A 129 -46.232 10.782 -0.682 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -46.103 11.062 0.661 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -47.167 9.807 -0.772 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -46.923 10.290 1.352 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -47.582 9.520 0.505 1.00 0.00 N ATOM 0 H HIS A 129 -42.852 11.191 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 129 -44.618 9.743 -2.677 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -45.087 12.436 -1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -46.109 11.723 -2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -47.521 9.341 -1.680 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -47.035 10.289 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -48.285 8.825 0.758 1.00 0.00 H new ATOM 2001 N HIS A 130 -43.371 12.765 -3.146 1.00 0.00 N ATOM 2002 CA HIS A 130 -42.709 13.634 -4.115 1.00 0.00 C ATOM 2003 C HIS A 130 -42.550 15.044 -3.554 1.00 0.00 C ATOM 2004 O HIS A 130 -41.433 15.536 -3.387 1.00 0.00 O ATOM 2005 CB HIS A 130 -43.501 13.681 -5.425 1.00 0.00 C ATOM 2006 CG HIS A 130 -42.890 14.570 -6.466 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -42.060 14.103 -7.463 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -42.996 15.906 -6.663 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -41.681 15.112 -8.227 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -42.235 16.217 -7.763 1.00 0.00 N ATOM 0 H HIS A 130 -43.677 13.240 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 130 -41.720 13.223 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -43.584 12.671 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -44.514 14.025 -5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -43.572 16.598 -6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -41.029 15.044 -9.085 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -42.117 17.150 -8.158 1.00 0.00 H new ATOM 2019 N HIS A 131 -43.676 15.688 -3.262 1.00 0.00 N ATOM 2020 CA HIS A 131 -43.670 17.042 -2.720 1.00 0.00 C ATOM 2021 C HIS A 131 -43.477 17.023 -1.207 1.00 0.00 C ATOM 2022 O HIS A 131 -42.612 17.719 -0.673 1.00 0.00 O ATOM 2023 CB HIS A 131 -44.976 17.759 -3.074 1.00 0.00 C ATOM 2024 CG HIS A 131 -45.092 19.129 -2.482 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -44.642 20.266 -3.117 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -45.616 19.542 -1.303 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -44.880 21.319 -2.356 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -45.471 20.907 -1.250 1.00 0.00 N ATOM 0 H HIS A 131 -44.607 15.292 -3.392 1.00 0.00 H new ATOM 0 HA HIS A 131 -42.835 17.583 -3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -45.056 17.834 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -45.816 17.154 -2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -46.064 18.915 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -44.633 22.342 -2.597 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -45.771 21.505 -0.480 1.00 0.00 H new ATOM 2037 N HIS A 132 -44.286 16.222 -0.522 1.00 0.00 N ATOM 2038 CA HIS A 132 -44.206 16.114 0.931 1.00 0.00 C ATOM 2039 C HIS A 132 -44.930 14.864 1.423 1.00 0.00 C ATOM 2040 O HIS A 132 -46.164 14.931 1.612 1.00 0.00 O ATOM 2041 CB HIS A 132 -44.801 17.362 1.587 1.00 0.00 C ATOM 2042 CG HIS A 132 -44.676 17.379 3.079 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -43.722 18.120 3.746 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -45.394 16.745 4.037 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -43.858 17.939 5.048 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -44.865 17.111 5.249 1.00 0.00 N ATOM 2047 OXT HIS A 132 -44.260 13.829 1.615 1.00 0.00 O ATOM 0 H HIS A 132 -45.005 15.638 -0.949 1.00 0.00 H new ATOM 0 HA HIS A 132 -43.156 16.033 1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -44.308 18.245 1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -45.855 17.434 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -46.227 16.077 3.877 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -43.249 18.392 5.816 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -45.197 16.794 6.160 1.00 0.00 H new TER 2056 HIS A 132