USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 934 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 46 TYR OH : rot 180:sc= 0.0832 USER MOD Set 1.2: A 86 SER OG : rot 71:sc= 0.626! USER MOD Set 1.3: A 88 ASN : amide:sc= -2.4! K(o=-1.7!,f=-0.43) USER MOD Set 2.1: A 66 GLN : amide:sc= 0 X(o=-2.1,f=-2.3) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 179:sc= -2.14! (180deg=-2.16!) USER MOD Set 3.1: A 44 ASN : amide:sc= -6.18! C(o=-11!,f=-16!) USER MOD Set 3.2: A 45 ASN : amide:sc= -4.87 K(o=-11,f=-12!) USER MOD Set 4.1: A 35 ASN : amide:sc= -1.83! C(o=-2.9!,f=-5.3!) USER MOD Set 4.2: A 38 GLN : amide:sc= -1.09 K(o=-2.9,f=-2.4) USER MOD Single : A 1 LYS N :NH3+ 161:sc= -0.0733 (180deg=-0.656) USER MOD Single : A 1 LYS NZ :NH3+ 152:sc= -1.42 (180deg=-1.92) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= -0.163 (180deg=-0.999) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc=-4.8e-05 (180deg=-0.328) USER MOD Single : A 13 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 86:sc= -0.0303 USER MOD Single : A 29 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.067) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 48 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.12) USER MOD Single : A 53 THR OG1 : rot -38:sc= 0.35 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.222 (180deg=-0.53) USER MOD Single : A 76 ASN : amide:sc= -1.25 K(o=-1.2,f=-2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -91:sc= 0.109 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -3.09! (180deg=-5.44!) USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= -1.78! (180deg=-2.56!) USER MOD Single : A 84 ASN : amide:sc= -3.4! K(o=-3.4!,f=-0.99) USER MOD Single : A 89 ASN : amide:sc= -5.1! C(o=-5.1!,f=-4.9!) USER MOD Single : A 92 ASN : amide:sc= -0.722 K(o=-0.72,f=-2.7!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.00566 X(o=-0.0057,f=-0.088) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-10!) USER MOD Single : A 105 GLN : amide:sc= -4.75! C(o=-4.7!,f=-5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -30:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.643 10.509 2.135 1.00 0.00 N ATOM 2 CA LYS A 1 -2.395 9.487 1.078 1.00 0.00 C ATOM 3 C LYS A 1 -3.602 9.437 0.129 1.00 0.00 C ATOM 4 O LYS A 1 -3.877 10.380 -0.585 1.00 0.00 O ATOM 5 CB LYS A 1 -2.175 8.118 1.738 1.00 0.00 C ATOM 6 CG LYS A 1 -3.186 7.923 2.876 1.00 0.00 C ATOM 7 CD LYS A 1 -3.199 6.455 3.317 1.00 0.00 C ATOM 8 CE LYS A 1 -1.782 6.011 3.702 1.00 0.00 C ATOM 9 NZ LYS A 1 -1.113 7.095 4.476 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.011 10.334 2.942 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.459 11.458 1.751 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.632 10.449 2.451 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.506 9.749 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.288 7.325 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.159 8.050 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.925 8.563 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.181 8.221 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.872 6.327 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.579 5.828 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.825 5.098 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.206 5.781 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.409 6.679 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.639 7.748 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.823 7.615 5.030 1.00 0.00 H new ATOM 25 N VAL A 2 -4.322 8.347 0.113 1.00 0.00 N ATOM 26 CA VAL A 2 -5.502 8.247 -0.790 1.00 0.00 C ATOM 27 C VAL A 2 -6.600 9.193 -0.293 1.00 0.00 C ATOM 28 O VAL A 2 -6.533 9.716 0.801 1.00 0.00 O ATOM 29 CB VAL A 2 -6.014 6.799 -0.794 1.00 0.00 C ATOM 30 CG1 VAL A 2 -6.986 6.581 -1.961 1.00 0.00 C ATOM 31 CG2 VAL A 2 -4.827 5.845 -0.941 1.00 0.00 C ATOM 0 H VAL A 2 -4.143 7.523 0.686 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.220 8.529 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.536 6.605 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.341 5.550 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.834 7.258 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.474 6.780 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.186 4.816 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.308 6.051 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.140 5.987 -0.106 1.00 0.00 H new ATOM 41 N LYS A 3 -7.609 9.420 -1.090 1.00 0.00 N ATOM 42 CA LYS A 3 -8.705 10.337 -0.663 1.00 0.00 C ATOM 43 C LYS A 3 -9.250 9.891 0.697 1.00 0.00 C ATOM 44 O LYS A 3 -9.378 10.680 1.612 1.00 0.00 O ATOM 45 CB LYS A 3 -9.834 10.312 -1.703 1.00 0.00 C ATOM 46 CG LYS A 3 -9.254 10.420 -3.121 1.00 0.00 C ATOM 47 CD LYS A 3 -8.338 11.648 -3.228 1.00 0.00 C ATOM 48 CE LYS A 3 -8.077 11.973 -4.702 1.00 0.00 C ATOM 49 NZ LYS A 3 -9.360 12.341 -5.364 1.00 0.00 N ATOM 0 H LYS A 3 -7.722 9.011 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.313 11.351 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.407 9.390 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.524 11.136 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.693 9.517 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.063 10.496 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.801 12.502 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.395 11.456 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.365 12.794 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.631 11.113 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.173 13.014 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.808 11.486 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.996 12.780 -4.668 1.00 0.00 H new ATOM 63 N PHE A 4 -9.577 8.632 0.840 1.00 0.00 N ATOM 64 CA PHE A 4 -10.116 8.142 2.145 1.00 0.00 C ATOM 65 C PHE A 4 -8.971 7.909 3.130 1.00 0.00 C ATOM 66 O PHE A 4 -7.822 7.790 2.751 1.00 0.00 O ATOM 67 CB PHE A 4 -10.904 6.846 1.953 1.00 0.00 C ATOM 68 CG PHE A 4 -10.144 5.875 1.082 1.00 0.00 C ATOM 69 CD1 PHE A 4 -10.294 5.932 -0.305 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.315 4.904 1.658 1.00 0.00 C ATOM 71 CE1 PHE A 4 -9.616 5.025 -1.121 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.636 3.992 0.840 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.788 4.055 -0.553 1.00 0.00 C ATOM 0 H PHE A 4 -9.494 7.923 0.111 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.788 8.902 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.104 6.391 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.870 7.067 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.936 6.679 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.200 4.859 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.732 5.074 -2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.997 3.242 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.265 3.353 -1.186 1.00 0.00 H new ATOM 83 N THR A 5 -9.281 7.854 4.401 1.00 0.00 N ATOM 84 CA THR A 5 -8.226 7.641 5.435 1.00 0.00 C ATOM 85 C THR A 5 -8.053 6.153 5.694 1.00 0.00 C ATOM 86 O THR A 5 -8.905 5.341 5.383 1.00 0.00 O ATOM 87 CB THR A 5 -8.612 8.331 6.741 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.724 7.917 7.770 1.00 0.00 O ATOM 89 CG2 THR A 5 -10.040 7.954 7.118 1.00 0.00 C ATOM 0 H THR A 5 -10.228 7.948 4.768 1.00 0.00 H new ATOM 0 HA THR A 5 -7.292 8.065 5.067 1.00 0.00 H new ATOM 0 HB THR A 5 -8.548 9.412 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.968 8.359 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.313 8.448 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.721 8.270 6.327 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.109 6.874 7.246 1.00 0.00 H new ATOM 97 N GLU A 6 -6.946 5.797 6.264 1.00 0.00 N ATOM 98 CA GLU A 6 -6.677 4.362 6.563 1.00 0.00 C ATOM 99 C GLU A 6 -7.899 3.739 7.244 1.00 0.00 C ATOM 100 O GLU A 6 -8.251 2.612 6.979 1.00 0.00 O ATOM 101 CB GLU A 6 -5.466 4.255 7.492 1.00 0.00 C ATOM 102 CG GLU A 6 -4.235 4.834 6.795 1.00 0.00 C ATOM 103 CD GLU A 6 -3.003 4.624 7.676 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.953 3.614 8.361 1.00 0.00 O ATOM 105 OE2 GLU A 6 -2.129 5.476 7.654 1.00 0.00 O ATOM 0 H GLU A 6 -6.205 6.441 6.541 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.473 3.831 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.658 4.793 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.290 3.213 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.091 4.351 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.380 5.897 6.602 1.00 0.00 H new ATOM 112 N GLU A 7 -8.548 4.469 8.117 1.00 0.00 N ATOM 113 CA GLU A 7 -9.744 3.921 8.820 1.00 0.00 C ATOM 114 C GLU A 7 -10.712 3.298 7.803 1.00 0.00 C ATOM 115 O GLU A 7 -11.283 2.243 8.031 1.00 0.00 O ATOM 116 CB GLU A 7 -10.445 5.060 9.577 1.00 0.00 C ATOM 117 CG GLU A 7 -11.377 4.476 10.640 1.00 0.00 C ATOM 118 CD GLU A 7 -12.257 5.585 11.219 1.00 0.00 C ATOM 119 OE1 GLU A 7 -13.201 5.975 10.551 1.00 0.00 O ATOM 120 OE2 GLU A 7 -11.972 6.026 12.321 1.00 0.00 O ATOM 0 H GLU A 7 -8.298 5.424 8.372 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.432 3.149 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.704 5.708 10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.013 5.677 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.000 3.695 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.793 4.010 11.434 1.00 0.00 H new ATOM 127 N GLU A 8 -10.899 3.924 6.675 1.00 0.00 N ATOM 128 CA GLU A 8 -11.819 3.335 5.672 1.00 0.00 C ATOM 129 C GLU A 8 -11.172 2.070 5.126 1.00 0.00 C ATOM 130 O GLU A 8 -11.810 1.049 4.980 1.00 0.00 O ATOM 131 CB GLU A 8 -12.073 4.320 4.534 1.00 0.00 C ATOM 132 CG GLU A 8 -12.509 5.693 5.105 1.00 0.00 C ATOM 133 CD GLU A 8 -13.405 6.434 4.102 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.434 6.029 2.951 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.044 7.391 4.503 1.00 0.00 O ATOM 0 H GLU A 8 -10.460 4.806 6.409 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.777 3.105 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.170 4.437 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.846 3.931 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.045 5.549 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.629 6.296 5.330 1.00 0.00 H new ATOM 142 N ASP A 9 -9.893 2.130 4.838 1.00 0.00 N ATOM 143 CA ASP A 9 -9.177 0.925 4.314 1.00 0.00 C ATOM 144 C ASP A 9 -9.551 -0.295 5.167 1.00 0.00 C ATOM 145 O ASP A 9 -9.564 -1.422 4.707 1.00 0.00 O ATOM 146 CB ASP A 9 -7.664 1.163 4.387 1.00 0.00 C ATOM 147 CG ASP A 9 -6.937 0.123 3.536 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.766 -0.989 4.009 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.564 0.456 2.426 1.00 0.00 O ATOM 0 H ASP A 9 -9.314 2.963 4.944 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.464 0.745 3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.427 2.166 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.326 1.101 5.421 1.00 0.00 H new ATOM 154 N LEU A 10 -9.883 -0.067 6.408 1.00 0.00 N ATOM 155 CA LEU A 10 -10.287 -1.197 7.289 1.00 0.00 C ATOM 156 C LEU A 10 -11.712 -1.589 6.900 1.00 0.00 C ATOM 157 O LEU A 10 -12.062 -2.752 6.839 1.00 0.00 O ATOM 158 CB LEU A 10 -10.234 -0.759 8.768 1.00 0.00 C ATOM 159 CG LEU A 10 -9.072 0.213 8.980 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.976 0.583 10.459 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.758 -0.431 8.521 1.00 0.00 C ATOM 0 H LEU A 10 -9.892 0.853 6.849 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.612 -2.044 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.174 -0.284 9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.113 -1.631 9.411 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.249 1.114 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.148 1.276 10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.905 1.055 10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.806 -0.318 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.936 0.268 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.576 -1.338 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.826 -0.682 7.463 1.00 0.00 H new ATOM 173 N LYS A 11 -12.530 -0.610 6.612 1.00 0.00 N ATOM 174 CA LYS A 11 -13.926 -0.913 6.201 1.00 0.00 C ATOM 175 C LYS A 11 -13.886 -1.740 4.915 1.00 0.00 C ATOM 176 O LYS A 11 -14.777 -2.512 4.636 1.00 0.00 O ATOM 177 CB LYS A 11 -14.690 0.391 5.952 1.00 0.00 C ATOM 178 CG LYS A 11 -14.771 1.191 7.254 1.00 0.00 C ATOM 179 CD LYS A 11 -15.621 2.444 7.030 1.00 0.00 C ATOM 180 CE LYS A 11 -15.811 3.178 8.359 1.00 0.00 C ATOM 181 NZ LYS A 11 -14.491 3.657 8.855 1.00 0.00 N ATOM 0 H LYS A 11 -12.290 0.381 6.644 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.432 -1.471 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.188 0.978 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.692 0.173 5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.207 0.579 8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.771 1.471 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.137 3.100 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.590 2.169 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.490 4.021 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.267 2.513 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.625 4.516 9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.051 2.918 9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.873 3.871 8.046 1.00 0.00 H new ATOM 195 N LEU A 12 -12.847 -1.593 4.135 1.00 0.00 N ATOM 196 CA LEU A 12 -12.742 -2.380 2.880 1.00 0.00 C ATOM 197 C LEU A 12 -12.498 -3.842 3.250 1.00 0.00 C ATOM 198 O LEU A 12 -13.104 -4.734 2.715 1.00 0.00 O ATOM 199 CB LEU A 12 -11.560 -1.861 2.041 1.00 0.00 C ATOM 200 CG LEU A 12 -12.004 -0.714 1.124 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.506 0.458 1.969 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.811 -0.264 0.265 1.00 0.00 C ATOM 0 H LEU A 12 -12.068 -0.960 4.317 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.659 -2.284 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.763 -1.517 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.149 -2.674 1.442 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.812 -1.055 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.820 1.271 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.351 0.133 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.705 0.807 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.121 0.551 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.004 0.077 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.461 -1.101 -0.339 1.00 0.00 H new ATOM 214 N GLN A 13 -11.611 -4.100 4.163 1.00 0.00 N ATOM 215 CA GLN A 13 -11.345 -5.519 4.532 1.00 0.00 C ATOM 216 C GLN A 13 -12.670 -6.207 4.881 1.00 0.00 C ATOM 217 O GLN A 13 -12.901 -7.346 4.528 1.00 0.00 O ATOM 218 CB GLN A 13 -10.416 -5.554 5.751 1.00 0.00 C ATOM 219 CG GLN A 13 -10.150 -7.002 6.178 1.00 0.00 C ATOM 220 CD GLN A 13 -9.144 -7.006 7.328 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.221 -7.795 7.343 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.289 -6.147 8.300 1.00 0.00 N ATOM 0 H GLN A 13 -11.063 -3.402 4.666 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.874 -6.037 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.474 -5.059 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.867 -5.002 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.079 -7.479 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.762 -7.577 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.065 -5.486 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.626 -6.137 9.075 1.00 0.00 H new ATOM 231 N GLN A 14 -13.544 -5.523 5.565 1.00 0.00 N ATOM 232 CA GLN A 14 -14.856 -6.148 5.938 1.00 0.00 C ATOM 233 C GLN A 14 -15.859 -6.067 4.781 1.00 0.00 C ATOM 234 O GLN A 14 -16.440 -7.055 4.382 1.00 0.00 O ATOM 235 CB GLN A 14 -15.448 -5.414 7.132 1.00 0.00 C ATOM 236 CG GLN A 14 -14.419 -5.356 8.264 1.00 0.00 C ATOM 237 CD GLN A 14 -15.053 -4.704 9.494 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.672 -3.663 9.394 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.923 -5.276 10.660 1.00 0.00 N ATOM 0 H GLN A 14 -13.413 -4.563 5.883 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.670 -7.195 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.741 -4.405 6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.350 -5.922 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.074 -6.361 8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.545 -4.787 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.404 -6.150 10.744 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.341 -4.849 11.487 1.00 0.00 H new ATOM 248 N LEU A 15 -16.090 -4.898 4.255 1.00 0.00 N ATOM 249 CA LEU A 15 -17.074 -4.768 3.147 1.00 0.00 C ATOM 250 C LEU A 15 -16.638 -5.659 1.993 1.00 0.00 C ATOM 251 O LEU A 15 -17.399 -6.455 1.480 1.00 0.00 O ATOM 252 CB LEU A 15 -17.127 -3.308 2.675 1.00 0.00 C ATOM 253 CG LEU A 15 -17.610 -2.388 3.820 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.208 -0.940 3.518 1.00 0.00 C ATOM 255 CD2 LEU A 15 -19.140 -2.460 3.963 1.00 0.00 C ATOM 0 H LEU A 15 -15.641 -4.029 4.544 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.062 -5.069 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.140 -2.992 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.799 -3.219 1.821 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.148 -2.721 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.549 -0.292 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.123 -0.874 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.666 -0.623 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.461 -1.806 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.608 -2.140 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.437 -3.485 4.185 1.00 0.00 H new ATOM 267 N VAL A 16 -15.411 -5.533 1.588 1.00 0.00 N ATOM 268 CA VAL A 16 -14.904 -6.365 0.472 1.00 0.00 C ATOM 269 C VAL A 16 -15.022 -7.840 0.851 1.00 0.00 C ATOM 270 O VAL A 16 -15.272 -8.679 0.011 1.00 0.00 O ATOM 271 CB VAL A 16 -13.438 -6.020 0.191 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.972 -6.786 -1.048 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.290 -4.507 -0.056 1.00 0.00 C ATOM 0 H VAL A 16 -14.732 -4.884 1.986 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.493 -6.169 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.830 -6.300 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.929 -6.545 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.069 -7.857 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.585 -6.502 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.245 -4.271 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.897 -4.217 -0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.624 -3.960 0.826 1.00 0.00 H new ATOM 283 N MET A 17 -14.860 -8.175 2.108 1.00 0.00 N ATOM 284 CA MET A 17 -14.988 -9.600 2.493 1.00 0.00 C ATOM 285 C MET A 17 -16.424 -10.041 2.206 1.00 0.00 C ATOM 286 O MET A 17 -16.680 -11.182 1.873 1.00 0.00 O ATOM 287 CB MET A 17 -14.659 -9.764 3.981 1.00 0.00 C ATOM 288 CG MET A 17 -14.979 -11.189 4.429 1.00 0.00 C ATOM 289 SD MET A 17 -14.243 -11.492 6.055 1.00 0.00 S ATOM 290 CE MET A 17 -14.940 -13.141 6.315 1.00 0.00 C ATOM 0 H MET A 17 -14.648 -7.529 2.868 1.00 0.00 H new ATOM 0 HA MET A 17 -14.293 -10.217 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.605 -9.546 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.234 -9.050 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.058 -11.333 4.474 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.592 -11.905 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.609 -13.528 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.028 -13.082 6.302 1.00 0.00 H new ATOM 0 HE3 MET A 17 -14.603 -13.808 5.521 1.00 0.00 H new ATOM 300 N ARG A 18 -17.366 -9.139 2.322 1.00 0.00 N ATOM 301 CA ARG A 18 -18.784 -9.502 2.044 1.00 0.00 C ATOM 302 C ARG A 18 -19.005 -9.570 0.529 1.00 0.00 C ATOM 303 O ARG A 18 -19.855 -10.295 0.049 1.00 0.00 O ATOM 304 CB ARG A 18 -19.708 -8.441 2.645 1.00 0.00 C ATOM 305 CG ARG A 18 -21.158 -8.923 2.569 1.00 0.00 C ATOM 306 CD ARG A 18 -22.077 -7.881 3.210 1.00 0.00 C ATOM 307 NE ARG A 18 -23.475 -8.395 3.228 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.815 -9.338 4.063 1.00 0.00 C ATOM 309 NH1 ARG A 18 -22.929 -9.834 4.883 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.041 -9.786 4.079 1.00 0.00 N ATOM 0 H ARG A 18 -17.212 -8.169 2.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.005 -10.472 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.432 -8.248 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.598 -7.500 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.444 -9.086 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.262 -9.879 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.745 -7.663 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.029 -6.946 2.652 1.00 0.00 H new ATOM 0 HE ARG A 18 -24.168 -8.009 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -21.971 -9.484 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.195 -10.571 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.734 -9.399 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -25.306 -10.523 4.732 1.00 0.00 H new ATOM 324 N TYR A 19 -18.243 -8.817 -0.231 1.00 0.00 N ATOM 325 CA TYR A 19 -18.396 -8.825 -1.722 1.00 0.00 C ATOM 326 C TYR A 19 -17.330 -9.733 -2.340 1.00 0.00 C ATOM 327 O TYR A 19 -17.325 -9.984 -3.528 1.00 0.00 O ATOM 328 CB TYR A 19 -18.213 -7.401 -2.255 1.00 0.00 C ATOM 329 CG TYR A 19 -19.273 -6.499 -1.652 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.622 -6.710 -1.963 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.913 -5.464 -0.774 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.607 -5.890 -1.400 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.901 -4.649 -0.211 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.248 -4.862 -0.524 1.00 0.00 C ATOM 335 OH TYR A 19 -22.221 -4.056 0.031 1.00 0.00 O ATOM 0 H TYR A 19 -17.517 -8.193 0.121 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.387 -9.194 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.219 -7.031 -2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.290 -7.395 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.903 -7.506 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.873 -5.297 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.647 -6.052 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.624 -3.855 0.466 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.801 -3.393 0.617 1.00 0.00 H new ATOM 345 N GLY A 20 -16.425 -10.223 -1.538 1.00 0.00 N ATOM 346 CA GLY A 20 -15.348 -11.110 -2.062 1.00 0.00 C ATOM 347 C GLY A 20 -14.222 -10.250 -2.629 1.00 0.00 C ATOM 348 O GLY A 20 -13.148 -10.183 -2.071 1.00 0.00 O ATOM 0 H GLY A 20 -16.385 -10.045 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.968 -11.750 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.745 -11.767 -2.836 1.00 0.00 H new ATOM 352 N ALA A 21 -14.483 -9.590 -3.733 1.00 0.00 N ATOM 353 CA ALA A 21 -13.463 -8.703 -4.393 1.00 0.00 C ATOM 354 C ALA A 21 -13.838 -8.538 -5.876 1.00 0.00 C ATOM 355 O ALA A 21 -13.025 -8.728 -6.758 1.00 0.00 O ATOM 356 CB ALA A 21 -12.049 -9.316 -4.275 1.00 0.00 C ATOM 0 H ALA A 21 -15.380 -9.628 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.455 -7.732 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.326 -8.659 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.789 -9.430 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.034 -10.292 -4.760 1.00 0.00 H new ATOM 362 N LYS A 22 -15.067 -8.196 -6.165 1.00 0.00 N ATOM 363 CA LYS A 22 -15.470 -8.035 -7.602 1.00 0.00 C ATOM 364 C LYS A 22 -16.677 -7.093 -7.756 1.00 0.00 C ATOM 365 O LYS A 22 -17.029 -6.730 -8.861 1.00 0.00 O ATOM 366 CB LYS A 22 -15.828 -9.407 -8.174 1.00 0.00 C ATOM 367 CG LYS A 22 -17.015 -9.990 -7.405 1.00 0.00 C ATOM 368 CD LYS A 22 -17.215 -11.453 -7.806 1.00 0.00 C ATOM 369 CE LYS A 22 -18.418 -12.028 -7.056 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.497 -13.496 -7.296 1.00 0.00 N ATOM 0 H LYS A 22 -15.803 -8.022 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.631 -7.596 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.076 -9.318 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.971 -10.077 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.838 -9.917 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.917 -9.417 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.374 -11.528 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.319 -12.030 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.324 -11.828 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.335 -11.544 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.315 -13.888 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.605 -13.676 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.626 -13.951 -6.955 1.00 0.00 H new ATOM 384 N ASP A 23 -17.309 -6.683 -6.677 1.00 0.00 N ATOM 385 CA ASP A 23 -18.488 -5.755 -6.781 1.00 0.00 C ATOM 386 C ASP A 23 -18.070 -4.379 -6.264 1.00 0.00 C ATOM 387 O ASP A 23 -18.741 -3.775 -5.451 1.00 0.00 O ATOM 388 CB ASP A 23 -19.646 -6.301 -5.934 1.00 0.00 C ATOM 389 CG ASP A 23 -19.752 -7.814 -6.133 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.011 -8.228 -7.250 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.571 -8.534 -5.164 1.00 0.00 O ATOM 0 H ASP A 23 -17.058 -6.952 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.816 -5.677 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.480 -6.072 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.580 -5.819 -6.222 1.00 0.00 H new ATOM 396 N TRP A 24 -16.958 -3.890 -6.726 1.00 0.00 N ATOM 397 CA TRP A 24 -16.474 -2.561 -6.265 1.00 0.00 C ATOM 398 C TRP A 24 -17.446 -1.467 -6.700 1.00 0.00 C ATOM 399 O TRP A 24 -17.374 -0.344 -6.242 1.00 0.00 O ATOM 400 CB TRP A 24 -15.092 -2.299 -6.859 1.00 0.00 C ATOM 401 CG TRP A 24 -14.170 -3.382 -6.419 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.866 -4.499 -7.119 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.436 -3.459 -5.180 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.978 -5.258 -6.374 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.684 -4.652 -5.166 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.358 -2.607 -4.080 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.872 -4.984 -4.083 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.546 -2.928 -2.990 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.802 -4.114 -2.987 1.00 0.00 C ATOM 0 H TRP A 24 -16.359 -4.355 -7.408 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.411 -2.555 -5.177 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.148 -2.269 -7.947 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.718 -1.329 -6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.251 -4.756 -8.095 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.590 -6.151 -6.678 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.930 -1.691 -4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.303 -5.902 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.492 -2.258 -2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.176 -4.358 -2.142 1.00 0.00 H new ATOM 420 N ILE A 25 -18.367 -1.784 -7.565 1.00 0.00 N ATOM 421 CA ILE A 25 -19.349 -0.761 -8.004 1.00 0.00 C ATOM 422 C ILE A 25 -20.320 -0.508 -6.854 1.00 0.00 C ATOM 423 O ILE A 25 -20.781 0.595 -6.646 1.00 0.00 O ATOM 424 CB ILE A 25 -20.113 -1.266 -9.239 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.474 -2.746 -9.055 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.241 -1.112 -10.489 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.473 -3.168 -10.135 1.00 0.00 C ATOM 0 H ILE A 25 -18.481 -2.706 -7.985 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.837 0.164 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 25 -21.024 -0.679 -9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.576 -3.360 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.903 -2.906 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.788 -1.472 -11.361 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.987 -0.061 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.327 -1.694 -10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.729 -4.219 -10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.375 -2.562 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -21.027 -3.023 -11.119 1.00 0.00 H new ATOM 439 N ARG A 26 -20.624 -1.525 -6.095 1.00 0.00 N ATOM 440 CA ARG A 26 -21.557 -1.351 -4.956 1.00 0.00 C ATOM 441 C ARG A 26 -20.807 -0.693 -3.809 1.00 0.00 C ATOM 442 O ARG A 26 -21.279 0.238 -3.191 1.00 0.00 O ATOM 443 CB ARG A 26 -22.076 -2.718 -4.501 1.00 0.00 C ATOM 444 CG ARG A 26 -23.084 -3.256 -5.518 1.00 0.00 C ATOM 445 CD ARG A 26 -23.499 -4.671 -5.116 1.00 0.00 C ATOM 446 NE ARG A 26 -24.638 -5.117 -5.967 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.107 -6.329 -5.848 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.576 -7.153 -4.985 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.106 -6.719 -6.592 1.00 0.00 N ATOM 0 H ARG A 26 -20.263 -2.471 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.400 -0.730 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.245 -3.416 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.546 -2.631 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.958 -2.606 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.644 -3.263 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.657 -5.354 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.787 -4.692 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.051 -4.475 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.795 -6.849 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.943 -8.100 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.521 -6.076 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.472 -7.666 -6.499 1.00 0.00 H new ATOM 463 N ILE A 27 -19.637 -1.174 -3.515 1.00 0.00 N ATOM 464 CA ILE A 27 -18.859 -0.577 -2.405 1.00 0.00 C ATOM 465 C ILE A 27 -18.685 0.919 -2.653 1.00 0.00 C ATOM 466 O ILE A 27 -18.697 1.717 -1.736 1.00 0.00 O ATOM 467 CB ILE A 27 -17.487 -1.245 -2.317 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.682 -2.753 -2.121 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.719 -0.658 -1.129 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.331 -3.474 -2.172 1.00 0.00 C ATOM 0 H ILE A 27 -19.187 -1.953 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.393 -0.731 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.921 -1.068 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.167 -2.943 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.341 -3.145 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.739 -1.130 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.595 0.416 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.275 -0.841 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.484 -4.544 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.861 -3.299 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.685 -3.093 -1.381 1.00 0.00 H new ATOM 482 N SER A 28 -18.520 1.309 -3.887 1.00 0.00 N ATOM 483 CA SER A 28 -18.341 2.757 -4.186 1.00 0.00 C ATOM 484 C SER A 28 -19.680 3.483 -4.035 1.00 0.00 C ATOM 485 O SER A 28 -19.726 4.652 -3.704 1.00 0.00 O ATOM 486 CB SER A 28 -17.824 2.922 -5.612 1.00 0.00 C ATOM 487 OG SER A 28 -16.476 2.481 -5.672 1.00 0.00 O ATOM 0 H SER A 28 -18.501 0.690 -4.698 1.00 0.00 H new ATOM 0 HA SER A 28 -17.621 3.185 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.439 2.346 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.892 3.966 -5.918 1.00 0.00 H new ATOM 0 HG SER A 28 -16.455 1.513 -5.826 1.00 0.00 H new ATOM 493 N GLN A 29 -20.771 2.808 -4.273 1.00 0.00 N ATOM 494 CA GLN A 29 -22.097 3.481 -4.136 1.00 0.00 C ATOM 495 C GLN A 29 -22.278 3.932 -2.685 1.00 0.00 C ATOM 496 O GLN A 29 -22.784 5.003 -2.417 1.00 0.00 O ATOM 497 CB GLN A 29 -23.221 2.508 -4.533 1.00 0.00 C ATOM 498 CG GLN A 29 -23.305 2.399 -6.067 1.00 0.00 C ATOM 499 CD GLN A 29 -24.057 3.605 -6.639 1.00 0.00 C ATOM 500 OE1 GLN A 29 -23.541 4.316 -7.479 1.00 0.00 O ATOM 501 NE2 GLN A 29 -25.263 3.868 -6.214 1.00 0.00 N ATOM 0 H GLN A 29 -20.804 1.828 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 29 -22.140 4.348 -4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -23.033 1.526 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -24.173 2.856 -4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.302 2.351 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.814 1.477 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -25.697 3.272 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.772 4.670 -6.587 1.00 0.00 H new ATOM 510 N LEU A 30 -21.856 3.130 -1.746 1.00 0.00 N ATOM 511 CA LEU A 30 -21.990 3.528 -0.318 1.00 0.00 C ATOM 512 C LEU A 30 -21.032 4.689 -0.049 1.00 0.00 C ATOM 513 O LEU A 30 -21.347 5.620 0.667 1.00 0.00 O ATOM 514 CB LEU A 30 -21.636 2.338 0.588 1.00 0.00 C ATOM 515 CG LEU A 30 -22.225 1.048 0.011 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.964 -0.103 0.984 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.736 1.214 -0.195 1.00 0.00 C ATOM 0 H LEU A 30 -21.426 2.219 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 30 -23.015 3.834 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.553 2.246 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.024 2.507 1.593 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.756 0.831 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.381 -1.024 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.890 -0.223 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.434 0.117 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.151 0.293 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.212 1.431 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.921 2.036 -0.887 1.00 0.00 H new ATOM 529 N MET A 31 -19.862 4.629 -0.632 1.00 0.00 N ATOM 530 CA MET A 31 -18.839 5.709 -0.447 1.00 0.00 C ATOM 531 C MET A 31 -18.350 6.178 -1.819 1.00 0.00 C ATOM 532 O MET A 31 -17.234 5.914 -2.219 1.00 0.00 O ATOM 533 CB MET A 31 -17.658 5.153 0.352 1.00 0.00 C ATOM 534 CG MET A 31 -18.084 4.932 1.805 1.00 0.00 C ATOM 535 SD MET A 31 -16.654 4.398 2.777 1.00 0.00 S ATOM 536 CE MET A 31 -17.289 4.884 4.401 1.00 0.00 C ATOM 0 H MET A 31 -19.565 3.865 -1.239 1.00 0.00 H new ATOM 0 HA MET A 31 -19.280 6.548 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 31 -17.319 4.214 -0.086 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.818 5.846 0.310 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.495 5.853 2.219 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.872 4.180 1.854 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.553 4.641 5.167 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.482 5.957 4.410 1.00 0.00 H new ATOM 0 HE3 MET A 31 -18.215 4.347 4.605 1.00 0.00 H new ATOM 546 N ILE A 32 -19.182 6.877 -2.543 1.00 0.00 N ATOM 547 CA ILE A 32 -18.774 7.371 -3.889 1.00 0.00 C ATOM 548 C ILE A 32 -17.594 8.332 -3.736 1.00 0.00 C ATOM 549 O ILE A 32 -16.959 8.715 -4.697 1.00 0.00 O ATOM 550 CB ILE A 32 -19.951 8.110 -4.529 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.545 9.090 -3.511 1.00 0.00 C ATOM 552 CG2 ILE A 32 -21.023 7.101 -4.950 1.00 0.00 C ATOM 553 CD1 ILE A 32 -21.533 10.020 -4.213 1.00 0.00 C ATOM 0 H ILE A 32 -20.129 7.128 -2.259 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.482 6.531 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.605 8.656 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.048 8.542 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.750 9.672 -3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.861 7.629 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.600 6.401 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.372 6.554 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.955 10.716 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -21.016 10.578 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -22.334 9.430 -4.658 1.00 0.00 H new ATOM 565 N THR A 33 -17.301 8.726 -2.526 1.00 0.00 N ATOM 566 CA THR A 33 -16.167 9.668 -2.287 1.00 0.00 C ATOM 567 C THR A 33 -14.918 9.189 -3.031 1.00 0.00 C ATOM 568 O THR A 33 -13.950 9.911 -3.164 1.00 0.00 O ATOM 569 CB THR A 33 -15.874 9.734 -0.784 1.00 0.00 C ATOM 570 OG1 THR A 33 -17.068 10.057 -0.085 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.813 10.801 -0.504 1.00 0.00 C ATOM 0 H THR A 33 -17.801 8.434 -1.686 1.00 0.00 H new ATOM 0 HA THR A 33 -16.439 10.657 -2.655 1.00 0.00 H new ATOM 0 HB THR A 33 -15.502 8.766 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.883 10.098 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.611 10.841 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.896 10.551 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.176 11.772 -0.841 1.00 0.00 H new ATOM 579 N ARG A 34 -14.932 7.976 -3.526 1.00 0.00 N ATOM 580 CA ARG A 34 -13.747 7.447 -4.270 1.00 0.00 C ATOM 581 C ARG A 34 -14.236 6.520 -5.384 1.00 0.00 C ATOM 582 O ARG A 34 -15.358 6.056 -5.363 1.00 0.00 O ATOM 583 CB ARG A 34 -12.805 6.695 -3.313 1.00 0.00 C ATOM 584 CG ARG A 34 -13.544 5.577 -2.542 1.00 0.00 C ATOM 585 CD ARG A 34 -14.240 6.121 -1.281 1.00 0.00 C ATOM 586 NE ARG A 34 -14.703 4.973 -0.446 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.866 4.346 0.337 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.622 4.729 0.398 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.276 3.339 1.059 1.00 0.00 N ATOM 0 H ARG A 34 -15.715 7.328 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.189 8.275 -4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.981 6.262 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.369 7.399 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.283 5.112 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.835 4.799 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.552 6.747 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.086 6.749 -1.560 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.678 4.677 -0.487 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.303 5.517 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.967 4.240 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.250 3.041 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.622 2.850 1.670 1.00 0.00 H new ATOM 603 N ASN A 35 -13.419 6.270 -6.379 1.00 0.00 N ATOM 604 CA ASN A 35 -13.866 5.400 -7.512 1.00 0.00 C ATOM 605 C ASN A 35 -13.617 3.911 -7.193 1.00 0.00 C ATOM 606 O ASN A 35 -12.699 3.580 -6.473 1.00 0.00 O ATOM 607 CB ASN A 35 -13.097 5.797 -8.781 1.00 0.00 C ATOM 608 CG ASN A 35 -12.961 7.320 -8.837 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.637 8.028 -8.119 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.109 7.857 -9.667 1.00 0.00 N ATOM 0 H ASN A 35 -12.467 6.629 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.936 5.540 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.111 5.332 -8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.621 5.435 -9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.011 8.871 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.541 7.262 -10.270 1.00 0.00 H new ATOM 617 N PRO A 36 -14.416 3.009 -7.737 1.00 0.00 N ATOM 618 CA PRO A 36 -14.239 1.545 -7.501 1.00 0.00 C ATOM 619 C PRO A 36 -12.770 1.121 -7.606 1.00 0.00 C ATOM 620 O PRO A 36 -12.272 0.344 -6.815 1.00 0.00 O ATOM 621 CB PRO A 36 -15.067 0.904 -8.627 1.00 0.00 C ATOM 622 CG PRO A 36 -16.163 1.881 -8.902 1.00 0.00 C ATOM 623 CD PRO A 36 -15.570 3.271 -8.628 1.00 0.00 C ATOM 0 HA PRO A 36 -14.553 1.246 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.459 0.732 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.467 -0.063 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.508 1.800 -9.933 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.025 1.691 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.257 3.759 -9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.299 3.927 -8.152 1.00 0.00 H new ATOM 631 N ARG A 37 -12.085 1.622 -8.593 1.00 0.00 N ATOM 632 CA ARG A 37 -10.659 1.255 -8.787 1.00 0.00 C ATOM 633 C ARG A 37 -9.830 1.710 -7.586 1.00 0.00 C ATOM 634 O ARG A 37 -8.862 1.078 -7.210 1.00 0.00 O ATOM 635 CB ARG A 37 -10.137 1.937 -10.055 1.00 0.00 C ATOM 636 CG ARG A 37 -10.551 3.411 -10.071 1.00 0.00 C ATOM 637 CD ARG A 37 -9.901 4.108 -11.267 1.00 0.00 C ATOM 638 NE ARG A 37 -8.429 4.199 -11.050 1.00 0.00 N ATOM 639 CZ ARG A 37 -7.669 4.768 -11.946 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.198 5.257 -13.035 1.00 0.00 N ATOM 641 NH2 ARG A 37 -6.381 4.848 -11.753 1.00 0.00 N ATOM 0 H ARG A 37 -12.457 2.277 -9.280 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.575 0.173 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.051 1.856 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.531 1.432 -10.937 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.636 3.495 -10.133 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.246 3.896 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.111 3.554 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.323 5.105 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.015 3.816 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.205 5.194 -13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.604 5.702 -13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.968 4.466 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.787 5.293 -12.453 1.00 0.00 H new ATOM 655 N GLN A 38 -10.186 2.811 -6.995 1.00 0.00 N ATOM 656 CA GLN A 38 -9.399 3.319 -5.834 1.00 0.00 C ATOM 657 C GLN A 38 -9.497 2.356 -4.648 1.00 0.00 C ATOM 658 O GLN A 38 -8.509 2.074 -3.999 1.00 0.00 O ATOM 659 CB GLN A 38 -9.918 4.693 -5.421 1.00 0.00 C ATOM 660 CG GLN A 38 -9.628 5.707 -6.530 1.00 0.00 C ATOM 661 CD GLN A 38 -9.990 7.112 -6.047 1.00 0.00 C ATOM 662 OE1 GLN A 38 -9.793 7.440 -4.893 1.00 0.00 O ATOM 663 NE2 GLN A 38 -10.514 7.963 -6.886 1.00 0.00 N ATOM 0 H GLN A 38 -10.987 3.384 -7.262 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.354 3.396 -6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.990 4.645 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.442 5.009 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.575 5.667 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.202 5.459 -7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.680 7.688 -7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.758 8.903 -6.574 1.00 0.00 H new ATOM 672 N CYS A 39 -10.658 1.834 -4.351 1.00 0.00 N ATOM 673 CA CYS A 39 -10.755 0.894 -3.208 1.00 0.00 C ATOM 674 C CYS A 39 -10.101 -0.419 -3.619 1.00 0.00 C ATOM 675 O CYS A 39 -9.532 -1.128 -2.813 1.00 0.00 O ATOM 676 CB CYS A 39 -12.221 0.646 -2.880 1.00 0.00 C ATOM 677 SG CYS A 39 -13.067 2.214 -2.600 1.00 0.00 S ATOM 0 H CYS A 39 -11.530 2.018 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.258 1.309 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.699 0.107 -3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.302 0.017 -1.994 1.00 0.00 H new ATOM 0 HG CYS A 39 -14.317 1.989 -2.323 1.00 0.00 H new ATOM 683 N ARG A 40 -10.180 -0.741 -4.879 1.00 0.00 N ATOM 684 CA ARG A 40 -9.566 -2.002 -5.367 1.00 0.00 C ATOM 685 C ARG A 40 -8.063 -1.954 -5.098 1.00 0.00 C ATOM 686 O ARG A 40 -7.476 -2.897 -4.606 1.00 0.00 O ATOM 687 CB ARG A 40 -9.821 -2.130 -6.874 1.00 0.00 C ATOM 688 CG ARG A 40 -9.046 -3.319 -7.469 1.00 0.00 C ATOM 689 CD ARG A 40 -9.336 -4.602 -6.681 1.00 0.00 C ATOM 690 NE ARG A 40 -8.957 -5.783 -7.505 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.118 -6.989 -7.032 1.00 0.00 C ATOM 692 NH1 ARG A 40 -9.612 -7.161 -5.836 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.785 -8.024 -7.754 1.00 0.00 N ATOM 0 H ARG A 40 -10.646 -0.181 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.001 -2.859 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.888 -2.260 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.522 -1.210 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.326 -3.456 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.977 -3.109 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.776 -4.602 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.393 -4.651 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.571 -5.650 -8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.872 -6.353 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.738 -8.104 -5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.399 -7.891 -8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.911 -8.966 -7.384 1.00 0.00 H new ATOM 707 N GLU A 41 -7.437 -0.855 -5.422 1.00 0.00 N ATOM 708 CA GLU A 41 -5.972 -0.733 -5.192 1.00 0.00 C ATOM 709 C GLU A 41 -5.651 -1.093 -3.740 1.00 0.00 C ATOM 710 O GLU A 41 -4.570 -1.552 -3.433 1.00 0.00 O ATOM 711 CB GLU A 41 -5.528 0.707 -5.474 1.00 0.00 C ATOM 712 CG GLU A 41 -5.576 0.975 -6.982 1.00 0.00 C ATOM 713 CD GLU A 41 -4.443 0.215 -7.678 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.604 -0.330 -6.980 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.435 0.192 -8.898 1.00 0.00 O ATOM 0 H GLU A 41 -7.880 -0.035 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.442 -1.413 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.178 1.408 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.517 0.867 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.539 0.662 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.482 2.044 -7.174 1.00 0.00 H new ATOM 722 N ARG A 42 -6.578 -0.890 -2.841 1.00 0.00 N ATOM 723 CA ARG A 42 -6.296 -1.232 -1.412 1.00 0.00 C ATOM 724 C ARG A 42 -6.283 -2.752 -1.237 1.00 0.00 C ATOM 725 O ARG A 42 -5.470 -3.295 -0.516 1.00 0.00 O ATOM 726 CB ARG A 42 -7.375 -0.634 -0.511 1.00 0.00 C ATOM 727 CG ARG A 42 -7.470 0.883 -0.731 1.00 0.00 C ATOM 728 CD ARG A 42 -6.110 1.560 -0.468 1.00 0.00 C ATOM 729 NE ARG A 42 -5.283 1.511 -1.706 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.096 2.055 -1.721 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.635 2.643 -0.652 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.372 2.011 -2.806 1.00 0.00 N ATOM 0 H ARG A 42 -7.505 -0.508 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.324 -0.823 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.337 -1.101 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.144 -0.843 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.792 1.088 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.226 1.305 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.260 2.594 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.592 1.056 0.348 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.644 1.052 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.202 2.678 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.708 3.068 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.733 1.552 -3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.445 2.436 -2.818 1.00 0.00 H new ATOM 746 N TRP A 43 -7.184 -3.443 -1.881 1.00 0.00 N ATOM 747 CA TRP A 43 -7.240 -4.931 -1.749 1.00 0.00 C ATOM 748 C TRP A 43 -5.843 -5.533 -1.866 1.00 0.00 C ATOM 749 O TRP A 43 -5.383 -6.196 -0.970 1.00 0.00 O ATOM 750 CB TRP A 43 -8.108 -5.479 -2.884 1.00 0.00 C ATOM 751 CG TRP A 43 -8.329 -6.954 -2.719 1.00 0.00 C ATOM 752 CD1 TRP A 43 -7.908 -7.901 -3.591 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.024 -7.665 -1.651 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.298 -9.143 -3.128 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.984 -9.052 -1.933 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.674 -7.250 -0.475 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.569 -9.990 -1.082 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.264 -8.192 0.384 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.209 -9.559 0.081 1.00 0.00 C ATOM 0 H TRP A 43 -7.889 -3.040 -2.498 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.655 -5.192 -0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.067 -4.962 -2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.628 -5.283 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.357 -7.715 -4.501 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.103 -10.020 -3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.720 -6.199 -0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.527 -11.042 -1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.763 -7.861 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.662 -10.279 0.747 1.00 0.00 H new ATOM 770 N ASN A 44 -5.164 -5.301 -2.952 1.00 0.00 N ATOM 771 CA ASN A 44 -3.799 -5.885 -3.121 1.00 0.00 C ATOM 772 C ASN A 44 -2.755 -5.106 -2.320 1.00 0.00 C ATOM 773 O ASN A 44 -1.921 -5.683 -1.651 1.00 0.00 O ATOM 774 CB ASN A 44 -3.425 -5.850 -4.604 1.00 0.00 C ATOM 775 CG ASN A 44 -3.642 -4.436 -5.149 1.00 0.00 C ATOM 776 OD1 ASN A 44 -2.737 -3.627 -5.148 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.815 -4.104 -5.618 1.00 0.00 N ATOM 0 H ASN A 44 -5.492 -4.732 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.814 -6.910 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.384 -6.147 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.032 -6.564 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.971 -3.165 -5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.575 -4.784 -5.619 1.00 0.00 H new ATOM 784 N ASN A 45 -2.763 -3.807 -2.405 1.00 0.00 N ATOM 785 CA ASN A 45 -1.736 -3.006 -1.675 1.00 0.00 C ATOM 786 C ASN A 45 -2.093 -2.852 -0.196 1.00 0.00 C ATOM 787 O ASN A 45 -1.538 -2.011 0.481 1.00 0.00 O ATOM 788 CB ASN A 45 -1.634 -1.620 -2.313 1.00 0.00 C ATOM 789 CG ASN A 45 -1.304 -1.764 -3.799 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.414 -2.505 -4.167 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.988 -1.081 -4.675 1.00 0.00 N ATOM 0 H ASN A 45 -3.434 -3.263 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.783 -3.531 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.573 -1.081 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.862 -1.034 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.776 -1.169 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.735 -0.459 -4.366 1.00 0.00 H new ATOM 798 N TYR A 46 -2.998 -3.645 0.332 1.00 0.00 N ATOM 799 CA TYR A 46 -3.334 -3.503 1.788 1.00 0.00 C ATOM 800 C TYR A 46 -3.746 -4.862 2.378 1.00 0.00 C ATOM 801 O TYR A 46 -3.126 -5.338 3.308 1.00 0.00 O ATOM 802 CB TYR A 46 -4.457 -2.451 1.961 1.00 0.00 C ATOM 803 CG TYR A 46 -4.181 -1.589 3.188 1.00 0.00 C ATOM 804 CD1 TYR A 46 -4.019 -2.196 4.440 1.00 0.00 C ATOM 805 CD2 TYR A 46 -4.082 -0.193 3.072 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.763 -1.415 5.572 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.825 0.586 4.207 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.667 -0.024 5.456 1.00 0.00 C ATOM 809 OH TYR A 46 -3.415 0.747 6.573 1.00 0.00 O ATOM 0 H TYR A 46 -3.510 -4.371 -0.170 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.453 -3.161 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.518 -1.823 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.420 -2.950 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.092 -3.270 4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.204 0.279 2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.639 -1.886 6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.749 1.660 4.118 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.378 1.692 6.317 1.00 0.00 H new ATOM 819 N ILE A 47 -4.775 -5.497 1.858 1.00 0.00 N ATOM 820 CA ILE A 47 -5.195 -6.832 2.417 1.00 0.00 C ATOM 821 C ILE A 47 -5.699 -7.767 1.296 1.00 0.00 C ATOM 822 O ILE A 47 -6.646 -7.488 0.590 1.00 0.00 O ATOM 823 CB ILE A 47 -6.262 -6.657 3.544 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.698 -6.481 3.004 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.916 -5.436 4.404 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.800 -5.234 2.125 1.00 0.00 C ATOM 0 H ILE A 47 -5.338 -5.155 1.079 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.320 -7.302 2.866 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.238 -7.575 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.985 -7.361 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.397 -6.402 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.664 -5.320 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.934 -5.576 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.903 -4.543 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.821 -5.131 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.535 -4.354 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.117 -5.327 1.281 1.00 0.00 H new ATOM 838 N ASN A 48 -5.037 -8.888 1.155 1.00 0.00 N ATOM 839 CA ASN A 48 -5.407 -9.912 0.126 1.00 0.00 C ATOM 840 C ASN A 48 -4.443 -11.112 0.257 1.00 0.00 C ATOM 841 O ASN A 48 -4.867 -12.250 0.219 1.00 0.00 O ATOM 842 CB ASN A 48 -5.357 -9.294 -1.306 1.00 0.00 C ATOM 843 CG ASN A 48 -4.530 -10.150 -2.283 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.050 -11.048 -2.914 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.256 -9.900 -2.428 1.00 0.00 N ATOM 0 H ASN A 48 -4.232 -9.144 1.727 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.429 -10.255 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.372 -9.188 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.930 -8.293 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.697 -10.459 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.821 -9.145 -1.897 1.00 0.00 H new ATOM 852 N PRO A 49 -3.156 -10.867 0.395 1.00 0.00 N ATOM 853 CA PRO A 49 -2.141 -11.942 0.516 1.00 0.00 C ATOM 854 C PRO A 49 -1.845 -12.289 1.981 1.00 0.00 C ATOM 855 O PRO A 49 -2.518 -13.100 2.586 1.00 0.00 O ATOM 856 CB PRO A 49 -0.909 -11.325 -0.183 1.00 0.00 C ATOM 857 CG PRO A 49 -1.080 -9.819 -0.077 1.00 0.00 C ATOM 858 CD PRO A 49 -2.506 -9.552 0.461 1.00 0.00 C ATOM 0 HA PRO A 49 -2.462 -12.885 0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.015 -11.648 0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.853 -11.639 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.332 -9.394 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.942 -9.348 -1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.484 -9.167 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.031 -8.815 -0.146 1.00 0.00 H new ATOM 866 N ALA A 50 -0.841 -11.683 2.552 1.00 0.00 N ATOM 867 CA ALA A 50 -0.498 -11.978 3.969 1.00 0.00 C ATOM 868 C ALA A 50 0.598 -11.019 4.434 1.00 0.00 C ATOM 869 O ALA A 50 1.684 -11.430 4.789 1.00 0.00 O ATOM 870 CB ALA A 50 0.002 -13.419 4.085 1.00 0.00 C ATOM 0 H ALA A 50 -0.242 -10.994 2.096 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.383 -11.851 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.253 -13.634 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.778 -14.103 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.888 -13.548 3.463 1.00 0.00 H new ATOM 876 N LEU A 51 0.321 -9.740 4.437 1.00 0.00 N ATOM 877 CA LEU A 51 1.350 -8.747 4.885 1.00 0.00 C ATOM 878 C LEU A 51 1.949 -9.203 6.218 1.00 0.00 C ATOM 879 O LEU A 51 2.961 -8.695 6.660 1.00 0.00 O ATOM 880 CB LEU A 51 0.713 -7.361 5.092 1.00 0.00 C ATOM 881 CG LEU A 51 0.205 -6.737 3.773 1.00 0.00 C ATOM 882 CD1 LEU A 51 1.323 -6.663 2.722 1.00 0.00 C ATOM 883 CD2 LEU A 51 -0.977 -7.532 3.205 1.00 0.00 C ATOM 0 H LEU A 51 -0.571 -9.338 4.149 1.00 0.00 H new ATOM 0 HA LEU A 51 2.121 -8.682 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.118 -7.448 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.445 -6.693 5.547 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.126 -5.725 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.933 -6.219 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.140 -6.050 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.691 -7.667 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.314 -7.070 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.664 -8.557 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.794 -7.534 3.926 1.00 0.00 H new ATOM 895 N ARG A 52 1.334 -10.158 6.862 1.00 0.00 N ATOM 896 CA ARG A 52 1.865 -10.649 8.165 1.00 0.00 C ATOM 897 C ARG A 52 3.368 -10.923 8.037 1.00 0.00 C ATOM 898 O ARG A 52 4.118 -10.757 8.977 1.00 0.00 O ATOM 899 CB ARG A 52 1.140 -11.943 8.565 1.00 0.00 C ATOM 900 CG ARG A 52 -0.376 -11.775 8.388 1.00 0.00 C ATOM 901 CD ARG A 52 -0.865 -10.525 9.130 1.00 0.00 C ATOM 902 NE ARG A 52 -2.343 -10.599 9.301 1.00 0.00 N ATOM 903 CZ ARG A 52 -2.957 -9.737 10.066 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.276 -8.810 10.682 1.00 0.00 N ATOM 905 NH2 ARG A 52 -4.253 -9.802 10.213 1.00 0.00 N ATOM 0 H ARG A 52 0.484 -10.620 6.540 1.00 0.00 H new ATOM 0 HA ARG A 52 1.698 -9.891 8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.496 -12.772 7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.368 -12.191 9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.618 -11.695 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.893 -12.657 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.378 -10.452 10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.597 -9.628 8.571 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.876 -11.324 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.264 -8.759 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.756 -8.137 11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.785 -10.526 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.733 -9.129 10.810 1.00 0.00 H new ATOM 919 N THR A 53 3.813 -11.338 6.878 1.00 0.00 N ATOM 920 CA THR A 53 5.268 -11.614 6.703 1.00 0.00 C ATOM 921 C THR A 53 5.622 -11.720 5.214 1.00 0.00 C ATOM 922 O THR A 53 5.951 -12.785 4.728 1.00 0.00 O ATOM 923 CB THR A 53 5.620 -12.933 7.400 1.00 0.00 C ATOM 924 OG1 THR A 53 5.082 -12.932 8.715 1.00 0.00 O ATOM 925 CG2 THR A 53 7.141 -13.088 7.471 1.00 0.00 C ATOM 0 H THR A 53 3.236 -11.496 6.052 1.00 0.00 H new ATOM 0 HA THR A 53 5.836 -10.794 7.142 1.00 0.00 H new ATOM 0 HB THR A 53 5.198 -13.764 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.166 -12.036 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.388 -14.027 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.554 -13.091 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.566 -12.257 8.034 1.00 0.00 H new ATOM 933 N ASP A 54 5.575 -10.622 4.486 1.00 0.00 N ATOM 934 CA ASP A 54 5.929 -10.647 3.025 1.00 0.00 C ATOM 935 C ASP A 54 6.942 -9.534 2.735 1.00 0.00 C ATOM 936 O ASP A 54 6.690 -8.657 1.936 1.00 0.00 O ATOM 937 CB ASP A 54 4.662 -10.420 2.190 1.00 0.00 C ATOM 938 CG ASP A 54 4.949 -10.744 0.721 1.00 0.00 C ATOM 939 OD1 ASP A 54 5.672 -11.696 0.476 1.00 0.00 O ATOM 940 OD2 ASP A 54 4.442 -10.038 -0.132 1.00 0.00 O ATOM 0 H ASP A 54 5.305 -9.706 4.844 1.00 0.00 H new ATOM 0 HA ASP A 54 6.363 -11.613 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.853 -11.050 2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.331 -9.386 2.287 1.00 0.00 H new ATOM 945 N PRO A 55 8.081 -9.567 3.385 1.00 0.00 N ATOM 946 CA PRO A 55 9.148 -8.536 3.198 1.00 0.00 C ATOM 947 C PRO A 55 9.868 -8.677 1.852 1.00 0.00 C ATOM 948 O PRO A 55 10.191 -9.763 1.413 1.00 0.00 O ATOM 949 CB PRO A 55 10.108 -8.812 4.366 1.00 0.00 C ATOM 950 CG PRO A 55 9.975 -10.277 4.599 1.00 0.00 C ATOM 951 CD PRO A 55 8.493 -10.589 4.371 1.00 0.00 C ATOM 0 HA PRO A 55 8.746 -7.523 3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.133 -8.539 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.834 -8.240 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.606 -10.843 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.282 -10.544 5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.348 -11.599 3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.919 -10.513 5.294 1.00 0.00 H new ATOM 959 N TRP A 56 10.118 -7.576 1.200 1.00 0.00 N ATOM 960 CA TRP A 56 10.818 -7.612 -0.121 1.00 0.00 C ATOM 961 C TRP A 56 12.331 -7.770 0.098 1.00 0.00 C ATOM 962 O TRP A 56 12.790 -7.948 1.210 1.00 0.00 O ATOM 963 CB TRP A 56 10.514 -6.320 -0.913 1.00 0.00 C ATOM 964 CG TRP A 56 10.297 -5.164 0.016 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.109 -4.821 0.563 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.260 -4.185 0.494 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.277 -3.698 1.353 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.591 -3.264 1.340 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.638 -4.009 0.281 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.271 -2.205 1.945 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.320 -2.949 0.888 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.640 -2.046 1.716 1.00 0.00 C ATOM 0 H TRP A 56 9.866 -6.643 1.526 1.00 0.00 H new ATOM 0 HA TRP A 56 10.458 -8.464 -0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.341 -6.099 -1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 56 9.628 -6.467 -1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.176 -5.342 0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.528 -3.247 1.878 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.174 -4.697 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.743 -1.514 2.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.379 -2.826 0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.174 -1.228 2.177 1.00 0.00 H new ATOM 983 N SER A 57 13.097 -7.728 -0.969 1.00 0.00 N ATOM 984 CA SER A 57 14.588 -7.899 -0.876 1.00 0.00 C ATOM 985 C SER A 57 15.279 -6.664 -1.496 1.00 0.00 C ATOM 986 O SER A 57 14.619 -5.744 -1.937 1.00 0.00 O ATOM 987 CB SER A 57 14.962 -9.193 -1.638 1.00 0.00 C ATOM 988 OG SER A 57 13.780 -9.953 -1.852 1.00 0.00 O ATOM 0 H SER A 57 12.748 -7.580 -1.916 1.00 0.00 H new ATOM 0 HA SER A 57 14.916 -7.982 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.432 -8.948 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.686 -9.773 -1.065 1.00 0.00 H new ATOM 0 HG SER A 57 14.003 -10.775 -2.336 1.00 0.00 H new ATOM 994 N PRO A 58 16.595 -6.635 -1.520 1.00 0.00 N ATOM 995 CA PRO A 58 17.365 -5.480 -2.086 1.00 0.00 C ATOM 996 C PRO A 58 16.868 -5.052 -3.476 1.00 0.00 C ATOM 997 O PRO A 58 17.166 -3.973 -3.947 1.00 0.00 O ATOM 998 CB PRO A 58 18.807 -6.009 -2.146 1.00 0.00 C ATOM 999 CG PRO A 58 18.874 -6.995 -1.026 1.00 0.00 C ATOM 1000 CD PRO A 58 17.507 -7.685 -1.018 1.00 0.00 C ATOM 0 HA PRO A 58 17.256 -4.582 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.021 -6.479 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.533 -5.206 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.678 -7.715 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.071 -6.499 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.497 -8.567 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.229 -8.015 -0.017 1.00 0.00 H new ATOM 1008 N GLU A 59 16.110 -5.887 -4.127 1.00 0.00 N ATOM 1009 CA GLU A 59 15.587 -5.535 -5.470 1.00 0.00 C ATOM 1010 C GLU A 59 14.674 -4.329 -5.325 1.00 0.00 C ATOM 1011 O GLU A 59 14.776 -3.370 -6.065 1.00 0.00 O ATOM 1012 CB GLU A 59 14.796 -6.716 -6.040 1.00 0.00 C ATOM 1013 CG GLU A 59 15.729 -7.914 -6.224 1.00 0.00 C ATOM 1014 CD GLU A 59 16.718 -7.622 -7.353 1.00 0.00 C ATOM 1015 OE1 GLU A 59 16.280 -7.161 -8.395 1.00 0.00 O ATOM 1016 OE2 GLU A 59 17.897 -7.866 -7.159 1.00 0.00 O ATOM 0 H GLU A 59 15.829 -6.805 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 59 16.410 -5.304 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.979 -6.978 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.348 -6.440 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.267 -8.115 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.149 -8.808 -6.456 1.00 0.00 H new ATOM 1023 N GLU A 60 13.793 -4.350 -4.360 1.00 0.00 N ATOM 1024 CA GLU A 60 12.904 -3.180 -4.169 1.00 0.00 C ATOM 1025 C GLU A 60 13.741 -2.043 -3.590 1.00 0.00 C ATOM 1026 O GLU A 60 13.485 -0.890 -3.846 1.00 0.00 O ATOM 1027 CB GLU A 60 11.761 -3.533 -3.216 1.00 0.00 C ATOM 1028 CG GLU A 60 10.790 -4.494 -3.909 1.00 0.00 C ATOM 1029 CD GLU A 60 10.028 -3.754 -5.010 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.138 -2.541 -5.068 1.00 0.00 O ATOM 1031 OE2 GLU A 60 9.348 -4.414 -5.778 1.00 0.00 O ATOM 0 H GLU A 60 13.655 -5.120 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 60 12.467 -2.880 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.158 -3.992 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.236 -2.628 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.338 -5.335 -4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.089 -4.905 -3.182 1.00 0.00 H new ATOM 1038 N ASP A 61 14.759 -2.364 -2.828 1.00 0.00 N ATOM 1039 CA ASP A 61 15.626 -1.293 -2.254 1.00 0.00 C ATOM 1040 C ASP A 61 16.335 -0.578 -3.401 1.00 0.00 C ATOM 1041 O ASP A 61 16.201 0.615 -3.584 1.00 0.00 O ATOM 1042 CB ASP A 61 16.673 -1.914 -1.313 1.00 0.00 C ATOM 1043 CG ASP A 61 17.256 -0.833 -0.397 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.957 0.329 -0.620 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.990 -1.187 0.512 1.00 0.00 O ATOM 0 H ASP A 61 15.024 -3.317 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 61 15.017 -0.588 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.215 -2.702 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.469 -2.378 -1.896 1.00 0.00 H new ATOM 1050 N MET A 62 17.079 -1.306 -4.192 1.00 0.00 N ATOM 1051 CA MET A 62 17.777 -0.669 -5.339 1.00 0.00 C ATOM 1052 C MET A 62 16.736 0.059 -6.179 1.00 0.00 C ATOM 1053 O MET A 62 16.992 1.101 -6.748 1.00 0.00 O ATOM 1054 CB MET A 62 18.469 -1.742 -6.184 1.00 0.00 C ATOM 1055 CG MET A 62 19.619 -2.358 -5.384 1.00 0.00 C ATOM 1056 SD MET A 62 20.407 -3.660 -6.364 1.00 0.00 S ATOM 1057 CE MET A 62 22.000 -3.654 -5.508 1.00 0.00 C ATOM 0 H MET A 62 17.231 -2.310 -4.091 1.00 0.00 H new ATOM 0 HA MET A 62 18.532 0.032 -4.982 1.00 0.00 H new ATOM 0 HB2 MET A 62 17.754 -2.514 -6.467 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.848 -1.304 -7.108 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.349 -1.590 -5.126 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.244 -2.770 -4.447 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.657 -4.398 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.456 -2.668 -5.594 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.848 -3.893 -4.455 1.00 0.00 H new ATOM 1067 N LEU A 63 15.544 -0.479 -6.240 1.00 0.00 N ATOM 1068 CA LEU A 63 14.465 0.193 -7.023 1.00 0.00 C ATOM 1069 C LEU A 63 13.851 1.306 -6.162 1.00 0.00 C ATOM 1070 O LEU A 63 13.228 2.220 -6.665 1.00 0.00 O ATOM 1071 CB LEU A 63 13.382 -0.836 -7.399 1.00 0.00 C ATOM 1072 CG LEU A 63 12.498 -0.300 -8.556 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.163 -0.564 -9.916 1.00 0.00 C ATOM 1074 CD2 LEU A 63 11.134 -1.003 -8.534 1.00 0.00 C ATOM 0 H LEU A 63 15.273 -1.350 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 63 14.878 0.620 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.851 -1.774 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.761 -1.053 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 63 12.373 0.774 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.526 -0.180 -10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.130 -0.063 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.305 -1.636 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.516 -0.624 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.276 -2.077 -8.656 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.640 -0.808 -7.582 1.00 0.00 H new ATOM 1086 N LEU A 64 14.022 1.233 -4.866 1.00 0.00 N ATOM 1087 CA LEU A 64 13.450 2.285 -3.977 1.00 0.00 C ATOM 1088 C LEU A 64 14.189 3.596 -4.220 1.00 0.00 C ATOM 1089 O LEU A 64 13.590 4.607 -4.500 1.00 0.00 O ATOM 1090 CB LEU A 64 13.601 1.866 -2.500 1.00 0.00 C ATOM 1091 CG LEU A 64 12.895 2.888 -1.550 1.00 0.00 C ATOM 1092 CD1 LEU A 64 12.239 2.149 -0.374 1.00 0.00 C ATOM 1093 CD2 LEU A 64 13.912 3.894 -0.979 1.00 0.00 C ATOM 0 H LEU A 64 14.532 0.491 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 64 12.390 2.413 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.173 0.874 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.658 1.798 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 64 12.141 3.418 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.750 2.870 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.499 1.444 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.001 1.608 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.399 4.596 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.676 3.359 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.382 4.441 -1.797 1.00 0.00 H new ATOM 1105 N ASP A 65 15.489 3.591 -4.124 1.00 0.00 N ATOM 1106 CA ASP A 65 16.254 4.851 -4.356 1.00 0.00 C ATOM 1107 C ASP A 65 15.786 5.499 -5.662 1.00 0.00 C ATOM 1108 O ASP A 65 15.769 6.707 -5.800 1.00 0.00 O ATOM 1109 CB ASP A 65 17.744 4.527 -4.459 1.00 0.00 C ATOM 1110 CG ASP A 65 18.273 4.110 -3.086 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.461 3.787 -2.233 1.00 0.00 O ATOM 1112 OD2 ASP A 65 19.480 4.120 -2.909 1.00 0.00 O ATOM 0 H ASP A 65 16.054 2.773 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 65 16.084 5.538 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.903 3.726 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.292 5.397 -4.822 1.00 0.00 H new ATOM 1117 N GLN A 66 15.405 4.700 -6.621 1.00 0.00 N ATOM 1118 CA GLN A 66 14.933 5.258 -7.922 1.00 0.00 C ATOM 1119 C GLN A 66 13.485 5.740 -7.801 1.00 0.00 C ATOM 1120 O GLN A 66 13.149 6.826 -8.228 1.00 0.00 O ATOM 1121 CB GLN A 66 15.020 4.174 -8.999 1.00 0.00 C ATOM 1122 CG GLN A 66 14.697 4.785 -10.365 1.00 0.00 C ATOM 1123 CD GLN A 66 14.919 3.739 -11.457 1.00 0.00 C ATOM 1124 OE1 GLN A 66 13.977 3.151 -11.952 1.00 0.00 O ATOM 1125 NE2 GLN A 66 16.133 3.477 -11.857 1.00 0.00 N ATOM 0 H GLN A 66 15.400 3.682 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 66 15.564 6.104 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.019 3.737 -9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.322 3.367 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.664 5.133 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.330 5.654 -10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.924 3.970 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.291 2.780 -12.584 1.00 0.00 H new ATOM 1134 N LYS A 67 12.622 4.940 -7.237 1.00 0.00 N ATOM 1135 CA LYS A 67 11.194 5.357 -7.110 1.00 0.00 C ATOM 1136 C LYS A 67 11.057 6.409 -6.005 1.00 0.00 C ATOM 1137 O LYS A 67 10.535 7.483 -6.221 1.00 0.00 O ATOM 1138 CB LYS A 67 10.333 4.137 -6.762 1.00 0.00 C ATOM 1139 CG LYS A 67 10.478 3.047 -7.844 1.00 0.00 C ATOM 1140 CD LYS A 67 9.622 3.383 -9.074 1.00 0.00 C ATOM 1141 CE LYS A 67 9.588 2.176 -10.014 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.968 1.873 -10.484 1.00 0.00 N ATOM 0 H LYS A 67 12.842 4.018 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 67 10.859 5.782 -8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.632 3.738 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.288 4.435 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.524 2.956 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.176 2.082 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.610 3.647 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.033 4.250 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.170 1.312 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.940 2.383 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.947 1.042 -11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.344 2.690 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.578 1.675 -9.665 1.00 0.00 H new ATOM 1156 N TYR A 68 11.528 6.111 -4.826 1.00 0.00 N ATOM 1157 CA TYR A 68 11.432 7.096 -3.704 1.00 0.00 C ATOM 1158 C TYR A 68 11.951 8.454 -4.187 1.00 0.00 C ATOM 1159 O TYR A 68 11.318 9.476 -4.021 1.00 0.00 O ATOM 1160 CB TYR A 68 12.279 6.597 -2.521 1.00 0.00 C ATOM 1161 CG TYR A 68 12.472 7.702 -1.506 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.478 8.654 -1.705 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.650 7.777 -0.375 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.665 9.681 -0.776 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.837 8.805 0.555 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.844 9.758 0.355 1.00 0.00 C ATOM 1167 OH TYR A 68 13.028 10.772 1.273 1.00 0.00 O ATOM 0 H TYR A 68 11.977 5.227 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 68 10.396 7.201 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.791 5.744 -2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 68 13.248 6.251 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 68 14.111 8.595 -2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.873 7.043 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.442 10.415 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.204 8.864 1.428 1.00 0.00 H new ATOM 0 HH TYR A 68 12.374 10.680 1.997 1.00 0.00 H new ATOM 1177 N ALA A 69 13.099 8.463 -4.794 1.00 0.00 N ATOM 1178 CA ALA A 69 13.672 9.736 -5.304 1.00 0.00 C ATOM 1179 C ALA A 69 12.606 10.482 -6.114 1.00 0.00 C ATOM 1180 O ALA A 69 12.584 11.695 -6.170 1.00 0.00 O ATOM 1181 CB ALA A 69 14.872 9.410 -6.200 1.00 0.00 C ATOM 0 H ALA A 69 13.672 7.636 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 69 13.994 10.364 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.303 10.335 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.623 8.872 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.545 8.791 -7.035 1.00 0.00 H new ATOM 1187 N GLU A 70 11.721 9.752 -6.743 1.00 0.00 N ATOM 1188 CA GLU A 70 10.642 10.381 -7.557 1.00 0.00 C ATOM 1189 C GLU A 70 9.379 10.560 -6.704 1.00 0.00 C ATOM 1190 O GLU A 70 8.862 11.649 -6.561 1.00 0.00 O ATOM 1191 CB GLU A 70 10.332 9.461 -8.743 1.00 0.00 C ATOM 1192 CG GLU A 70 11.460 9.552 -9.775 1.00 0.00 C ATOM 1193 CD GLU A 70 11.173 8.590 -10.929 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.020 8.479 -11.310 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.113 7.981 -11.413 1.00 0.00 O ATOM 0 H GLU A 70 11.702 8.732 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 70 10.968 11.359 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.223 8.432 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.384 9.747 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.543 10.572 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.414 9.305 -9.310 1.00 0.00 H new ATOM 1202 N TYR A 71 8.867 9.484 -6.159 1.00 0.00 N ATOM 1203 CA TYR A 71 7.621 9.567 -5.336 1.00 0.00 C ATOM 1204 C TYR A 71 7.949 9.903 -3.881 1.00 0.00 C ATOM 1205 O TYR A 71 7.254 10.673 -3.247 1.00 0.00 O ATOM 1206 CB TYR A 71 6.891 8.225 -5.405 1.00 0.00 C ATOM 1207 CG TYR A 71 6.677 7.843 -6.853 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.560 8.331 -7.545 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.590 7.006 -7.504 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.359 7.981 -8.884 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.389 6.656 -8.845 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.273 7.143 -9.535 1.00 0.00 C ATOM 1213 OH TYR A 71 6.075 6.798 -10.856 1.00 0.00 O ATOM 0 H TYR A 71 9.261 8.547 -6.249 1.00 0.00 H new ATOM 0 HA TYR A 71 6.987 10.360 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.472 7.456 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.933 8.293 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.855 8.977 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.451 6.629 -6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.498 8.357 -9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.095 6.011 -9.347 1.00 0.00 H new ATOM 0 HH TYR A 71 6.802 6.212 -11.154 1.00 0.00 H new ATOM 1223 N GLY A 72 8.992 9.334 -3.341 1.00 0.00 N ATOM 1224 CA GLY A 72 9.363 9.618 -1.917 1.00 0.00 C ATOM 1225 C GLY A 72 8.772 8.513 -1.029 1.00 0.00 C ATOM 1226 O GLY A 72 8.650 7.385 -1.463 1.00 0.00 O ATOM 0 H GLY A 72 9.609 8.681 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.447 9.652 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.981 10.593 -1.613 1.00 0.00 H new ATOM 1230 N PRO A 73 8.405 8.804 0.201 1.00 0.00 N ATOM 1231 CA PRO A 73 7.829 7.771 1.101 1.00 0.00 C ATOM 1232 C PRO A 73 6.353 7.513 0.783 1.00 0.00 C ATOM 1233 O PRO A 73 5.580 7.127 1.637 1.00 0.00 O ATOM 1234 CB PRO A 73 8.009 8.371 2.502 1.00 0.00 C ATOM 1235 CG PRO A 73 7.940 9.855 2.290 1.00 0.00 C ATOM 1236 CD PRO A 73 8.487 10.121 0.873 1.00 0.00 C ATOM 0 HA PRO A 73 8.314 6.801 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.228 8.031 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.963 8.077 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.915 10.213 2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.531 10.382 3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.894 10.872 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.512 10.489 0.904 1.00 0.00 H new ATOM 1244 N LYS A 74 5.959 7.710 -0.450 1.00 0.00 N ATOM 1245 CA LYS A 74 4.540 7.462 -0.830 1.00 0.00 C ATOM 1246 C LYS A 74 4.383 5.977 -1.137 1.00 0.00 C ATOM 1247 O LYS A 74 4.227 5.577 -2.273 1.00 0.00 O ATOM 1248 CB LYS A 74 4.204 8.285 -2.074 1.00 0.00 C ATOM 1249 CG LYS A 74 4.043 9.759 -1.691 1.00 0.00 C ATOM 1250 CD LYS A 74 3.944 10.608 -2.961 1.00 0.00 C ATOM 1251 CE LYS A 74 3.843 12.086 -2.580 1.00 0.00 C ATOM 1252 NZ LYS A 74 5.098 12.511 -1.899 1.00 0.00 N ATOM 0 H LYS A 74 6.561 8.032 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 74 3.869 7.749 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.994 8.177 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.285 7.915 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.149 9.892 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.891 10.084 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.818 10.443 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.071 10.311 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.677 12.692 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.988 12.245 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.252 13.527 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.018 12.329 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.901 11.974 -2.284 1.00 0.00 H new ATOM 1266 N TRP A 75 4.436 5.157 -0.128 1.00 0.00 N ATOM 1267 CA TRP A 75 4.311 3.694 -0.339 1.00 0.00 C ATOM 1268 C TRP A 75 2.989 3.388 -1.037 1.00 0.00 C ATOM 1269 O TRP A 75 2.711 2.264 -1.404 1.00 0.00 O ATOM 1270 CB TRP A 75 4.391 2.980 1.014 1.00 0.00 C ATOM 1271 CG TRP A 75 5.401 3.670 1.884 1.00 0.00 C ATOM 1272 CD1 TRP A 75 5.128 4.230 3.083 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.825 3.900 1.643 1.00 0.00 C ATOM 1274 NE1 TRP A 75 6.293 4.756 3.610 1.00 0.00 N ATOM 1275 CE2 TRP A 75 7.363 4.585 2.758 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.698 3.578 0.585 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.712 4.937 2.822 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 9.055 3.933 0.646 1.00 0.00 C ATOM 1279 CH2 TRP A 75 9.561 4.610 1.763 1.00 0.00 C ATOM 0 H TRP A 75 4.562 5.442 0.843 1.00 0.00 H new ATOM 0 HA TRP A 75 5.124 3.338 -0.972 1.00 0.00 H new ATOM 0 HB2 TRP A 75 3.414 2.985 1.498 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.671 1.936 0.871 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.157 4.262 3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.353 5.215 4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.320 3.054 -0.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.097 5.459 3.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.713 3.683 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.606 4.879 1.805 1.00 0.00 H new ATOM 1290 N ASN A 76 2.184 4.386 -1.238 1.00 0.00 N ATOM 1291 CA ASN A 76 0.890 4.172 -1.931 1.00 0.00 C ATOM 1292 C ASN A 76 1.179 3.938 -3.413 1.00 0.00 C ATOM 1293 O ASN A 76 0.524 3.157 -4.072 1.00 0.00 O ATOM 1294 CB ASN A 76 0.013 5.416 -1.762 1.00 0.00 C ATOM 1295 CG ASN A 76 -0.520 5.478 -0.328 1.00 0.00 C ATOM 1296 OD1 ASN A 76 0.186 5.873 0.578 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -1.745 5.101 -0.084 1.00 0.00 N ATOM 0 H ASN A 76 2.367 5.347 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 76 0.367 3.313 -1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.590 6.313 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.817 5.387 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.110 5.138 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.338 4.769 -0.845 1.00 0.00 H new ATOM 1304 N LYS A 77 2.176 4.605 -3.933 1.00 0.00 N ATOM 1305 CA LYS A 77 2.544 4.427 -5.365 1.00 0.00 C ATOM 1306 C LYS A 77 3.486 3.232 -5.480 1.00 0.00 C ATOM 1307 O LYS A 77 3.433 2.470 -6.423 1.00 0.00 O ATOM 1308 CB LYS A 77 3.264 5.681 -5.865 1.00 0.00 C ATOM 1309 CG LYS A 77 2.440 6.935 -5.535 1.00 0.00 C ATOM 1310 CD LYS A 77 1.099 6.905 -6.287 1.00 0.00 C ATOM 1311 CE LYS A 77 0.482 8.308 -6.306 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.875 8.244 -6.919 1.00 0.00 N ATOM 0 H LYS A 77 2.755 5.271 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 77 1.647 4.261 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.249 5.752 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.421 5.614 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.261 6.989 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.999 7.829 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.251 6.551 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.417 6.204 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.417 8.702 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.117 8.989 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.295 9.195 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.800 7.885 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.478 7.607 -6.361 1.00 0.00 H new ATOM 1326 N ILE A 78 4.358 3.071 -4.525 1.00 0.00 N ATOM 1327 CA ILE A 78 5.312 1.934 -4.570 1.00 0.00 C ATOM 1328 C ILE A 78 4.541 0.622 -4.412 1.00 0.00 C ATOM 1329 O ILE A 78 4.662 -0.276 -5.212 1.00 0.00 O ATOM 1330 CB ILE A 78 6.327 2.086 -3.430 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.796 3.548 -3.343 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.532 1.175 -3.679 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.246 4.052 -4.718 1.00 0.00 C ATOM 0 H ILE A 78 4.450 3.681 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 78 5.839 1.926 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 78 5.851 1.802 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.986 4.174 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.618 3.630 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.248 1.289 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.200 0.138 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.007 1.449 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.574 5.088 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.071 3.437 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.413 3.989 -5.419 1.00 0.00 H new ATOM 1345 N SER A 79 3.749 0.510 -3.384 1.00 0.00 N ATOM 1346 CA SER A 79 2.966 -0.745 -3.171 1.00 0.00 C ATOM 1347 C SER A 79 2.247 -1.155 -4.461 1.00 0.00 C ATOM 1348 O SER A 79 1.927 -2.310 -4.659 1.00 0.00 O ATOM 1349 CB SER A 79 1.933 -0.519 -2.067 1.00 0.00 C ATOM 1350 OG SER A 79 0.924 0.363 -2.542 1.00 0.00 O ATOM 0 H SER A 79 3.608 1.233 -2.679 1.00 0.00 H new ATOM 0 HA SER A 79 3.652 -1.541 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.490 -1.469 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.414 -0.098 -1.184 1.00 0.00 H new ATOM 0 HG SER A 79 1.170 1.287 -2.327 1.00 0.00 H new ATOM 1356 N LYS A 80 1.984 -0.225 -5.335 1.00 0.00 N ATOM 1357 CA LYS A 80 1.279 -0.567 -6.604 1.00 0.00 C ATOM 1358 C LYS A 80 2.270 -1.207 -7.570 1.00 0.00 C ATOM 1359 O LYS A 80 1.894 -1.862 -8.520 1.00 0.00 O ATOM 1360 CB LYS A 80 0.697 0.702 -7.234 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.512 1.174 -6.422 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.034 2.489 -7.001 1.00 0.00 C ATOM 1363 CE LYS A 80 -2.280 2.929 -6.230 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.975 2.967 -4.772 1.00 0.00 N ATOM 0 H LYS A 80 2.227 0.760 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 80 0.468 -1.264 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.455 1.485 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.401 0.505 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.296 0.418 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.231 1.310 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.264 3.258 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.273 2.364 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.603 3.913 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.102 2.240 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.709 3.513 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.953 1.997 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.050 3.417 -4.623 1.00 0.00 H new ATOM 1378 N PHE A 81 3.540 -1.021 -7.340 1.00 0.00 N ATOM 1379 CA PHE A 81 4.557 -1.618 -8.245 1.00 0.00 C ATOM 1380 C PHE A 81 4.872 -3.027 -7.743 1.00 0.00 C ATOM 1381 O PHE A 81 5.488 -3.823 -8.424 1.00 0.00 O ATOM 1382 CB PHE A 81 5.827 -0.741 -8.217 1.00 0.00 C ATOM 1383 CG PHE A 81 5.724 0.365 -9.254 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.923 0.068 -10.607 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.431 1.679 -8.864 1.00 0.00 C ATOM 1386 CE1 PHE A 81 5.830 1.082 -11.570 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.339 2.692 -9.826 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.538 2.393 -11.178 1.00 0.00 C ATOM 0 H PHE A 81 3.917 -0.480 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 81 4.188 -1.669 -9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.957 -0.308 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.706 -1.355 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.149 -0.944 -10.909 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.276 1.910 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.984 0.852 -12.614 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.114 3.704 -9.524 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.466 3.175 -11.920 1.00 0.00 H new ATOM 1398 N LEU A 82 4.459 -3.328 -6.541 1.00 0.00 N ATOM 1399 CA LEU A 82 4.729 -4.677 -5.950 1.00 0.00 C ATOM 1400 C LEU A 82 3.500 -5.578 -6.147 1.00 0.00 C ATOM 1401 O LEU A 82 3.601 -6.650 -6.703 1.00 0.00 O ATOM 1402 CB LEU A 82 5.020 -4.497 -4.451 1.00 0.00 C ATOM 1403 CG LEU A 82 6.470 -3.994 -4.223 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.839 -2.876 -5.208 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.608 -3.451 -2.795 1.00 0.00 C ATOM 0 H LEU A 82 3.941 -2.692 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 82 5.584 -5.144 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.313 -3.787 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.874 -5.444 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 82 7.142 -4.837 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.861 -2.548 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.760 -3.250 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.158 -2.035 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.627 -3.098 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.912 -2.625 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.383 -4.243 -2.081 1.00 0.00 H new ATOM 1417 N LYS A 83 2.354 -5.152 -5.669 1.00 0.00 N ATOM 1418 CA LYS A 83 1.109 -5.967 -5.796 1.00 0.00 C ATOM 1419 C LYS A 83 1.275 -7.226 -4.969 1.00 0.00 C ATOM 1420 O LYS A 83 0.457 -8.124 -5.009 1.00 0.00 O ATOM 1421 CB LYS A 83 0.829 -6.345 -7.260 1.00 0.00 C ATOM 1422 CG LYS A 83 0.946 -5.115 -8.179 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.056 -4.009 -7.788 1.00 0.00 C ATOM 1424 CE LYS A 83 -1.486 -4.564 -7.707 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.705 -5.551 -8.803 1.00 0.00 N ATOM 0 H LYS A 83 2.230 -4.260 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 83 0.264 -5.378 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.533 -7.113 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.170 -6.773 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.961 -4.720 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.771 -5.415 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.227 -3.581 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.016 -3.202 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.648 -5.039 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.207 -3.751 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.707 -5.545 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.117 -5.296 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.443 -6.501 -8.472 1.00 0.00 H new ATOM 1439 N ASN A 84 2.338 -7.288 -4.208 1.00 0.00 N ATOM 1440 CA ASN A 84 2.603 -8.474 -3.344 1.00 0.00 C ATOM 1441 C ASN A 84 2.726 -8.009 -1.892 1.00 0.00 C ATOM 1442 O ASN A 84 2.587 -8.786 -0.970 1.00 0.00 O ATOM 1443 CB ASN A 84 3.902 -9.144 -3.791 1.00 0.00 C ATOM 1444 CG ASN A 84 3.687 -9.820 -5.148 1.00 0.00 C ATOM 1445 OD1 ASN A 84 3.996 -10.983 -5.315 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.168 -9.135 -6.129 1.00 0.00 N ATOM 0 H ASN A 84 3.044 -6.554 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 84 1.786 -9.191 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.699 -8.404 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.217 -9.880 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.021 -9.576 -7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.909 -8.159 -5.988 1.00 0.00 H new ATOM 1453 N ARG A 85 2.970 -6.737 -1.690 1.00 0.00 N ATOM 1454 CA ARG A 85 3.090 -6.179 -0.302 1.00 0.00 C ATOM 1455 C ARG A 85 2.162 -4.984 -0.177 1.00 0.00 C ATOM 1456 O ARG A 85 1.319 -4.741 -1.018 1.00 0.00 O ATOM 1457 CB ARG A 85 4.528 -5.717 -0.038 1.00 0.00 C ATOM 1458 CG ARG A 85 5.495 -6.928 0.018 1.00 0.00 C ATOM 1459 CD ARG A 85 6.025 -7.284 -1.392 1.00 0.00 C ATOM 1460 NE ARG A 85 6.161 -8.765 -1.504 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.178 -9.375 -0.961 1.00 0.00 C ATOM 1462 NH1 ARG A 85 8.079 -8.692 -0.316 1.00 0.00 N ATOM 1463 NH2 ARG A 85 7.291 -10.672 -1.065 1.00 0.00 N ATOM 0 H ARG A 85 3.093 -6.052 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 85 2.824 -6.951 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.844 -5.030 -0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.571 -5.168 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.332 -6.699 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.980 -7.789 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.342 -6.911 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.989 -6.804 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 85 5.456 -9.303 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.990 -7.679 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.874 -9.170 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.584 -11.207 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.086 -11.150 -0.641 1.00 0.00 H new ATOM 1477 N SER A 86 2.311 -4.242 0.883 1.00 0.00 N ATOM 1478 CA SER A 86 1.449 -3.054 1.113 1.00 0.00 C ATOM 1479 C SER A 86 2.298 -1.929 1.668 1.00 0.00 C ATOM 1480 O SER A 86 3.492 -2.013 1.768 1.00 0.00 O ATOM 1481 CB SER A 86 0.363 -3.391 2.134 1.00 0.00 C ATOM 1482 OG SER A 86 -0.311 -2.200 2.515 1.00 0.00 O ATOM 0 H SER A 86 3.005 -4.412 1.611 1.00 0.00 H new ATOM 0 HA SER A 86 0.988 -2.757 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.345 -4.102 1.708 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.806 -3.867 3.009 1.00 0.00 H new ATOM 0 HG SER A 86 -0.858 -1.880 1.767 1.00 0.00 H new ATOM 1488 N ASP A 87 1.662 -0.888 2.041 1.00 0.00 N ATOM 1489 CA ASP A 87 2.372 0.284 2.613 1.00 0.00 C ATOM 1490 C ASP A 87 2.820 -0.041 4.034 1.00 0.00 C ATOM 1491 O ASP A 87 3.868 0.375 4.483 1.00 0.00 O ATOM 1492 CB ASP A 87 1.436 1.492 2.619 1.00 0.00 C ATOM 1493 CG ASP A 87 0.117 1.114 3.296 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.757 0.613 2.606 1.00 0.00 O ATOM 1495 OD2 ASP A 87 0.003 1.331 4.491 1.00 0.00 O ATOM 0 H ASP A 87 0.649 -0.782 1.978 1.00 0.00 H new ATOM 0 HA ASP A 87 3.248 0.517 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.902 2.324 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.250 1.826 1.598 1.00 0.00 H new ATOM 1500 N ASN A 88 2.022 -0.785 4.743 1.00 0.00 N ATOM 1501 CA ASN A 88 2.382 -1.149 6.140 1.00 0.00 C ATOM 1502 C ASN A 88 3.646 -2.009 6.135 1.00 0.00 C ATOM 1503 O ASN A 88 4.444 -1.956 7.047 1.00 0.00 O ATOM 1504 CB ASN A 88 1.233 -1.935 6.775 1.00 0.00 C ATOM 1505 CG ASN A 88 0.034 -1.009 6.981 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.288 -0.651 8.096 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.647 -0.601 5.944 1.00 0.00 N ATOM 0 H ASN A 88 1.132 -1.159 4.414 1.00 0.00 H new ATOM 0 HA ASN A 88 2.563 -0.241 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.954 -2.772 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.550 -2.355 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.448 0.017 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.378 -0.901 5.007 1.00 0.00 H new ATOM 1514 N ASN A 89 3.839 -2.805 5.115 1.00 0.00 N ATOM 1515 CA ASN A 89 5.050 -3.666 5.057 1.00 0.00 C ATOM 1516 C ASN A 89 6.221 -2.854 4.514 1.00 0.00 C ATOM 1517 O ASN A 89 7.349 -2.999 4.937 1.00 0.00 O ATOM 1518 CB ASN A 89 4.768 -4.820 4.111 1.00 0.00 C ATOM 1519 CG ASN A 89 5.993 -5.731 4.032 1.00 0.00 C ATOM 1520 OD1 ASN A 89 7.036 -5.413 4.567 1.00 0.00 O ATOM 1521 ND2 ASN A 89 5.909 -6.858 3.384 1.00 0.00 N ATOM 0 H ASN A 89 3.207 -2.893 4.320 1.00 0.00 H new ATOM 0 HA ASN A 89 5.296 -4.038 6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.904 -5.386 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.521 -4.439 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.720 -7.474 3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.033 -7.124 2.935 1.00 0.00 H new ATOM 1528 N ILE A 90 5.948 -2.006 3.570 1.00 0.00 N ATOM 1529 CA ILE A 90 7.020 -1.173 2.968 1.00 0.00 C ATOM 1530 C ILE A 90 7.420 -0.091 3.963 1.00 0.00 C ATOM 1531 O ILE A 90 8.575 0.066 4.304 1.00 0.00 O ATOM 1532 CB ILE A 90 6.468 -0.533 1.691 1.00 0.00 C ATOM 1533 CG1 ILE A 90 6.042 -1.647 0.706 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.540 0.352 1.044 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.040 -1.115 -0.325 1.00 0.00 C ATOM 0 H ILE A 90 5.017 -1.852 3.184 1.00 0.00 H new ATOM 0 HA ILE A 90 7.894 -1.778 2.728 1.00 0.00 H new ATOM 0 HB ILE A 90 5.605 0.085 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.920 -2.041 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.596 -2.475 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.140 0.804 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.833 1.137 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.410 -0.255 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.757 -1.918 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.153 -0.744 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.497 -0.304 -0.892 1.00 0.00 H new ATOM 1547 N ARG A 91 6.461 0.643 4.445 1.00 0.00 N ATOM 1548 CA ARG A 91 6.757 1.708 5.437 1.00 0.00 C ATOM 1549 C ARG A 91 7.471 1.078 6.629 1.00 0.00 C ATOM 1550 O ARG A 91 8.296 1.688 7.279 1.00 0.00 O ATOM 1551 CB ARG A 91 5.440 2.326 5.914 1.00 0.00 C ATOM 1552 CG ARG A 91 5.722 3.592 6.733 1.00 0.00 C ATOM 1553 CD ARG A 91 4.459 3.999 7.494 1.00 0.00 C ATOM 1554 NE ARG A 91 4.645 5.356 8.082 1.00 0.00 N ATOM 1555 CZ ARG A 91 5.451 5.523 9.096 1.00 0.00 C ATOM 1556 NH1 ARG A 91 6.096 4.503 9.594 1.00 0.00 N ATOM 1557 NH2 ARG A 91 5.612 6.711 9.611 1.00 0.00 N ATOM 0 H ARG A 91 5.477 0.550 4.192 1.00 0.00 H new ATOM 0 HA ARG A 91 7.384 2.478 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.811 2.569 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.889 1.606 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.538 3.411 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.039 4.401 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.601 3.997 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.248 3.276 8.282 1.00 0.00 H new ATOM 0 HE ARG A 91 4.143 6.154 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.971 3.574 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.725 4.635 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.109 7.508 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.241 6.843 10.403 1.00 0.00 H new ATOM 1571 N ASN A 92 7.129 -0.143 6.923 1.00 0.00 N ATOM 1572 CA ASN A 92 7.745 -0.849 8.085 1.00 0.00 C ATOM 1573 C ASN A 92 9.083 -1.470 7.686 1.00 0.00 C ATOM 1574 O ASN A 92 10.041 -1.412 8.431 1.00 0.00 O ATOM 1575 CB ASN A 92 6.800 -1.952 8.566 1.00 0.00 C ATOM 1576 CG ASN A 92 7.438 -2.702 9.737 1.00 0.00 C ATOM 1577 OD1 ASN A 92 8.429 -3.385 9.570 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.908 -2.604 10.926 1.00 0.00 N ATOM 0 H ASN A 92 6.442 -0.690 6.404 1.00 0.00 H new ATOM 0 HA ASN A 92 7.916 -0.128 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.848 -1.520 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.588 -2.644 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.326 -3.100 11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.076 -2.031 11.068 1.00 0.00 H new ATOM 1585 N ARG A 93 9.169 -2.081 6.532 1.00 0.00 N ATOM 1586 CA ARG A 93 10.466 -2.707 6.143 1.00 0.00 C ATOM 1587 C ARG A 93 11.471 -1.619 5.766 1.00 0.00 C ATOM 1588 O ARG A 93 12.640 -1.710 6.077 1.00 0.00 O ATOM 1589 CB ARG A 93 10.260 -3.671 4.969 1.00 0.00 C ATOM 1590 CG ARG A 93 11.578 -4.421 4.682 1.00 0.00 C ATOM 1591 CD ARG A 93 11.311 -5.673 3.837 1.00 0.00 C ATOM 1592 NE ARG A 93 12.518 -6.546 3.858 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.599 -6.185 3.223 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.626 -5.058 2.567 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.656 -6.952 3.246 1.00 0.00 N ATOM 0 H ARG A 93 8.412 -2.172 5.854 1.00 0.00 H new ATOM 0 HA ARG A 93 10.856 -3.273 6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.468 -4.382 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.942 -3.120 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.271 -3.763 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.054 -4.704 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.450 -6.214 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.070 -5.390 2.812 1.00 0.00 H new ATOM 0 HE ARG A 93 12.499 -7.428 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.801 -4.458 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.472 -4.777 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.636 -7.833 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.501 -6.670 2.750 1.00 0.00 H new ATOM 1609 N TRP A 94 11.031 -0.578 5.116 1.00 0.00 N ATOM 1610 CA TRP A 94 11.969 0.513 4.743 1.00 0.00 C ATOM 1611 C TRP A 94 12.680 1.008 6.000 1.00 0.00 C ATOM 1612 O TRP A 94 13.866 1.251 5.997 1.00 0.00 O ATOM 1613 CB TRP A 94 11.192 1.666 4.105 1.00 0.00 C ATOM 1614 CG TRP A 94 12.142 2.757 3.733 1.00 0.00 C ATOM 1615 CD1 TRP A 94 13.199 2.615 2.900 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.144 4.150 4.163 1.00 0.00 C ATOM 1617 NE1 TRP A 94 13.849 3.831 2.790 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.237 4.808 3.550 1.00 0.00 C ATOM 1619 CE3 TRP A 94 11.314 4.898 5.017 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.495 6.160 3.776 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.571 6.260 5.247 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.660 6.890 4.627 1.00 0.00 C ATOM 0 H TRP A 94 10.063 -0.437 4.828 1.00 0.00 H new ATOM 0 HA TRP A 94 12.702 0.139 4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.659 1.315 3.221 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.442 2.043 4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 94 13.488 1.701 2.402 1.00 0.00 H new ATOM 0 HE1 TRP A 94 14.679 3.987 2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.473 4.422 5.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.335 6.640 3.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.927 6.825 5.905 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.853 7.937 4.807 1.00 0.00 H new ATOM 1633 N MET A 95 11.961 1.152 7.079 1.00 0.00 N ATOM 1634 CA MET A 95 12.598 1.625 8.339 1.00 0.00 C ATOM 1635 C MET A 95 13.511 0.529 8.892 1.00 0.00 C ATOM 1636 O MET A 95 14.422 0.794 9.649 1.00 0.00 O ATOM 1637 CB MET A 95 11.512 1.951 9.367 1.00 0.00 C ATOM 1638 CG MET A 95 12.145 2.637 10.578 1.00 0.00 C ATOM 1639 SD MET A 95 10.855 3.051 11.779 1.00 0.00 S ATOM 1640 CE MET A 95 11.837 4.191 12.783 1.00 0.00 C ATOM 0 H MET A 95 10.961 0.963 7.142 1.00 0.00 H new ATOM 0 HA MET A 95 13.187 2.519 8.135 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.758 2.600 8.922 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.004 1.038 9.677 1.00 0.00 H new ATOM 0 HG2 MET A 95 12.886 1.981 11.035 1.00 0.00 H new ATOM 0 HG3 MET A 95 12.669 3.540 10.265 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.226 4.575 13.600 1.00 0.00 H new ATOM 0 HE2 MET A 95 12.700 3.665 13.192 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.178 5.021 12.163 1.00 0.00 H new ATOM 1650 N MET A 96 13.281 -0.702 8.514 1.00 0.00 N ATOM 1651 CA MET A 96 14.141 -1.813 9.012 1.00 0.00 C ATOM 1652 C MET A 96 15.425 -1.850 8.189 1.00 0.00 C ATOM 1653 O MET A 96 16.507 -2.034 8.710 1.00 0.00 O ATOM 1654 CB MET A 96 13.398 -3.142 8.862 1.00 0.00 C ATOM 1655 CG MET A 96 14.239 -4.270 9.460 1.00 0.00 C ATOM 1656 SD MET A 96 13.285 -5.807 9.450 1.00 0.00 S ATOM 1657 CE MET A 96 14.670 -6.935 9.743 1.00 0.00 C ATOM 0 H MET A 96 12.533 -0.985 7.881 1.00 0.00 H new ATOM 0 HA MET A 96 14.380 -1.653 10.063 1.00 0.00 H new ATOM 0 HB2 MET A 96 12.432 -3.089 9.365 1.00 0.00 H new ATOM 0 HB3 MET A 96 13.199 -3.342 7.809 1.00 0.00 H new ATOM 0 HG2 MET A 96 15.157 -4.396 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.532 -4.018 10.479 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.303 -7.961 9.775 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.397 -6.835 8.937 1.00 0.00 H new ATOM 0 HE3 MET A 96 15.145 -6.689 10.693 1.00 0.00 H new ATOM 1667 N ILE A 97 15.310 -1.673 6.898 1.00 0.00 N ATOM 1668 CA ILE A 97 16.518 -1.691 6.024 1.00 0.00 C ATOM 1669 C ILE A 97 17.151 -0.298 6.040 1.00 0.00 C ATOM 1670 O ILE A 97 18.356 -0.151 5.974 1.00 0.00 O ATOM 1671 CB ILE A 97 16.098 -2.086 4.588 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.935 -3.612 4.497 1.00 0.00 C ATOM 1673 CG2 ILE A 97 17.159 -1.643 3.563 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.991 -4.114 5.592 1.00 0.00 C ATOM 0 H ILE A 97 14.428 -1.516 6.411 1.00 0.00 H new ATOM 0 HA ILE A 97 17.246 -2.418 6.385 1.00 0.00 H new ATOM 0 HB ILE A 97 15.154 -1.589 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.543 -3.884 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 97 16.907 -4.095 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.840 -1.932 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.278 -0.560 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 97 18.110 -2.122 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.886 -5.196 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 97 15.399 -3.859 6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.014 -3.645 5.473 1.00 0.00 H new ATOM 1686 N ALA A 98 16.350 0.725 6.127 1.00 0.00 N ATOM 1687 CA ALA A 98 16.915 2.101 6.148 1.00 0.00 C ATOM 1688 C ALA A 98 17.652 2.311 7.466 1.00 0.00 C ATOM 1689 O ALA A 98 18.454 3.213 7.607 1.00 0.00 O ATOM 1690 CB ALA A 98 15.795 3.136 6.017 1.00 0.00 C ATOM 0 H ALA A 98 15.333 0.669 6.184 1.00 0.00 H new ATOM 0 HA ALA A 98 17.602 2.223 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 98 16.222 4.139 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 98 15.266 2.983 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 98 15.098 3.025 6.847 1.00 0.00 H new ATOM 1696 N ARG A 99 17.388 1.480 8.437 1.00 0.00 N ATOM 1697 CA ARG A 99 18.072 1.623 9.746 1.00 0.00 C ATOM 1698 C ARG A 99 19.517 1.161 9.590 1.00 0.00 C ATOM 1699 O ARG A 99 20.382 1.507 10.369 1.00 0.00 O ATOM 1700 CB ARG A 99 17.352 0.766 10.798 1.00 0.00 C ATOM 1701 CG ARG A 99 18.122 0.772 12.131 1.00 0.00 C ATOM 1702 CD ARG A 99 18.351 2.211 12.616 1.00 0.00 C ATOM 1703 NE ARG A 99 18.626 2.199 14.080 1.00 0.00 N ATOM 1704 CZ ARG A 99 18.719 3.323 14.737 1.00 0.00 C ATOM 1705 NH1 ARG A 99 18.567 4.459 14.113 1.00 0.00 N ATOM 1706 NH2 ARG A 99 18.962 3.311 16.020 1.00 0.00 N ATOM 0 H ARG A 99 16.725 0.707 8.376 1.00 0.00 H new ATOM 0 HA ARG A 99 18.053 2.663 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 99 16.343 1.147 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 99 17.254 -0.257 10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.564 0.214 12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 99 19.080 0.268 12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 99 19.188 2.659 12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 99 17.474 2.822 12.404 1.00 0.00 H new ATOM 0 HE ARG A 99 18.742 1.312 14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 99 18.375 4.469 13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.640 5.337 14.627 1.00 0.00 H new ATOM 0 HH21 ARG A 99 19.079 2.423 16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 99 19.035 4.189 16.534 1.00 0.00 H new ATOM 1720 N HIS A 100 19.785 0.377 8.581 1.00 0.00 N ATOM 1721 CA HIS A 100 21.170 -0.116 8.360 1.00 0.00 C ATOM 1722 C HIS A 100 21.965 0.968 7.640 1.00 0.00 C ATOM 1723 O HIS A 100 23.134 1.176 7.902 1.00 0.00 O ATOM 1724 CB HIS A 100 21.130 -1.379 7.497 1.00 0.00 C ATOM 1725 CG HIS A 100 22.501 -1.996 7.444 1.00 0.00 C ATOM 1726 ND1 HIS A 100 23.147 -2.463 8.580 1.00 0.00 N ATOM 1727 CD2 HIS A 100 23.362 -2.230 6.400 1.00 0.00 C ATOM 1728 CE1 HIS A 100 24.342 -2.950 8.197 1.00 0.00 C ATOM 1729 NE2 HIS A 100 24.520 -2.831 6.880 1.00 0.00 N ATOM 0 H HIS A 100 19.099 0.056 7.898 1.00 0.00 H new ATOM 0 HA HIS A 100 21.640 -0.350 9.315 1.00 0.00 H new ATOM 0 HB2 HIS A 100 20.415 -2.091 7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 100 20.791 -1.134 6.490 1.00 0.00 H new ATOM 0 HD2 HIS A 100 23.169 -1.985 5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 100 25.066 -3.383 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 100 25.335 -3.120 6.339 1.00 0.00 H new ATOM 1738 N ARG A 101 21.335 1.663 6.732 1.00 0.00 N ATOM 1739 CA ARG A 101 22.041 2.741 5.986 1.00 0.00 C ATOM 1740 C ARG A 101 22.020 4.025 6.817 1.00 0.00 C ATOM 1741 O ARG A 101 22.794 4.935 6.595 1.00 0.00 O ATOM 1742 CB ARG A 101 21.332 2.987 4.653 1.00 0.00 C ATOM 1743 CG ARG A 101 21.552 1.789 3.728 1.00 0.00 C ATOM 1744 CD ARG A 101 20.806 2.015 2.413 1.00 0.00 C ATOM 1745 NE ARG A 101 21.146 3.361 1.874 1.00 0.00 N ATOM 1746 CZ ARG A 101 20.468 3.857 0.875 1.00 0.00 C ATOM 1747 NH1 ARG A 101 19.489 3.173 0.347 1.00 0.00 N ATOM 1748 NH2 ARG A 101 20.767 5.037 0.404 1.00 0.00 N ATOM 0 H ARG A 101 20.357 1.529 6.475 1.00 0.00 H new ATOM 0 HA ARG A 101 23.072 2.442 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.266 3.140 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.716 3.895 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 101 22.617 1.655 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.197 0.876 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.077 1.244 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.731 1.937 2.574 1.00 0.00 H new ATOM 0 HE ARG A 101 21.910 3.896 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.254 2.251 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.959 3.560 -0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.531 5.572 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.237 5.424 -0.377 1.00 0.00 H new ATOM 1762 N ALA A 102 21.135 4.105 7.775 1.00 0.00 N ATOM 1763 CA ALA A 102 21.056 5.329 8.623 1.00 0.00 C ATOM 1764 C ALA A 102 22.178 5.307 9.664 1.00 0.00 C ATOM 1765 O ALA A 102 22.310 6.210 10.467 1.00 0.00 O ATOM 1766 CB ALA A 102 19.703 5.366 9.335 1.00 0.00 C ATOM 0 H ALA A 102 20.463 3.374 8.007 1.00 0.00 H new ATOM 0 HA ALA A 102 21.164 6.213 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 102 19.643 6.260 9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.903 5.383 8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 102 19.598 4.481 9.962 1.00 0.00 H new ATOM 1772 N LYS A 103 22.990 4.282 9.659 1.00 0.00 N ATOM 1773 CA LYS A 103 24.104 4.194 10.645 1.00 0.00 C ATOM 1774 C LYS A 103 25.333 4.905 10.075 1.00 0.00 C ATOM 1775 O LYS A 103 26.045 5.595 10.778 1.00 0.00 O ATOM 1776 CB LYS A 103 24.431 2.718 10.891 1.00 0.00 C ATOM 1777 CG LYS A 103 23.342 2.084 11.766 1.00 0.00 C ATOM 1778 CD LYS A 103 23.482 0.556 11.749 1.00 0.00 C ATOM 1779 CE LYS A 103 24.808 0.139 12.396 1.00 0.00 C ATOM 1780 NZ LYS A 103 24.754 -1.310 12.741 1.00 0.00 N ATOM 0 H LYS A 103 22.927 3.498 9.009 1.00 0.00 H new ATOM 0 HA LYS A 103 23.815 4.667 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 103 24.501 2.188 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 103 25.401 2.627 11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 103 23.423 2.454 12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 103 22.356 2.372 11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 103 22.649 0.101 12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 103 23.439 0.191 10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 103 25.635 0.331 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 103 24.991 0.731 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 25.652 -1.596 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 23.974 -1.479 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 24.598 -1.867 11.877 1.00 0.00 H new ATOM 1794 N HIS A 104 25.588 4.741 8.805 1.00 0.00 N ATOM 1795 CA HIS A 104 26.772 5.405 8.192 1.00 0.00 C ATOM 1796 C HIS A 104 26.481 6.896 8.001 1.00 0.00 C ATOM 1797 O HIS A 104 27.353 7.670 7.659 1.00 0.00 O ATOM 1798 CB HIS A 104 27.078 4.764 6.836 1.00 0.00 C ATOM 1799 CG HIS A 104 25.910 4.955 5.908 1.00 0.00 C ATOM 1800 ND1 HIS A 104 25.392 6.209 5.617 1.00 0.00 N ATOM 1801 CD2 HIS A 104 25.151 4.061 5.193 1.00 0.00 C ATOM 1802 CE1 HIS A 104 24.367 6.037 4.761 1.00 0.00 C ATOM 1803 NE2 HIS A 104 24.181 4.747 4.473 1.00 0.00 N ATOM 0 H HIS A 104 25.028 4.176 8.167 1.00 0.00 H new ATOM 0 HA HIS A 104 27.633 5.285 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 104 27.974 5.212 6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 104 27.283 3.701 6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.287 2.990 5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 104 23.770 6.842 4.358 1.00 0.00 H new ATOM 0 HE2 HIS A 104 23.475 4.349 3.854 1.00 0.00 H new ATOM 1812 N GLN A 105 25.260 7.304 8.218 1.00 0.00 N ATOM 1813 CA GLN A 105 24.916 8.744 8.048 1.00 0.00 C ATOM 1814 C GLN A 105 25.741 9.578 9.034 1.00 0.00 C ATOM 1815 O GLN A 105 26.084 10.713 8.766 1.00 0.00 O ATOM 1816 CB GLN A 105 23.415 8.940 8.319 1.00 0.00 C ATOM 1817 CG GLN A 105 22.948 10.302 7.786 1.00 0.00 C ATOM 1818 CD GLN A 105 23.529 11.423 8.650 1.00 0.00 C ATOM 1819 OE1 GLN A 105 24.314 12.223 8.179 1.00 0.00 O ATOM 1820 NE2 GLN A 105 23.176 11.515 9.902 1.00 0.00 N ATOM 0 H GLN A 105 24.487 6.703 8.505 1.00 0.00 H new ATOM 0 HA GLN A 105 25.141 9.065 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 105 22.846 8.142 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 105 23.221 8.875 9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 105 23.266 10.426 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.859 10.352 7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 105 22.517 10.844 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.559 12.258 10.486 1.00 0.00 H new ATOM 1829 N LYS A 106 26.062 9.023 10.171 1.00 0.00 N ATOM 1830 CA LYS A 106 26.866 9.779 11.176 1.00 0.00 C ATOM 1831 C LYS A 106 27.522 8.795 12.145 1.00 0.00 C ATOM 1832 O LYS A 106 28.682 8.922 12.486 1.00 0.00 O ATOM 1833 CB LYS A 106 25.947 10.730 11.951 1.00 0.00 C ATOM 1834 CG LYS A 106 24.910 9.927 12.752 1.00 0.00 C ATOM 1835 CD LYS A 106 23.764 10.847 13.195 1.00 0.00 C ATOM 1836 CE LYS A 106 24.321 12.034 13.987 1.00 0.00 C ATOM 1837 NZ LYS A 106 23.212 12.699 14.727 1.00 0.00 N ATOM 0 H LYS A 106 25.802 8.077 10.449 1.00 0.00 H new ATOM 0 HA LYS A 106 27.639 10.356 10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 106 26.538 11.350 12.625 1.00 0.00 H new ATOM 0 HB3 LYS A 106 25.441 11.404 11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 106 24.519 9.112 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 106 25.382 9.475 13.624 1.00 0.00 H new ATOM 0 HD2 LYS A 106 23.217 11.206 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 106 23.056 10.290 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 106 25.086 11.693 14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 106 24.799 12.744 13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 23.588 13.505 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.497 13.037 14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 22.775 12.019 15.382 1.00 0.00 H new ATOM 1851 N SER A 107 26.788 7.814 12.594 1.00 0.00 N ATOM 1852 CA SER A 107 27.368 6.820 13.541 1.00 0.00 C ATOM 1853 C SER A 107 28.324 5.894 12.787 1.00 0.00 C ATOM 1854 O SER A 107 28.391 6.006 11.573 1.00 0.00 O ATOM 1855 CB SER A 107 26.242 5.993 14.163 1.00 0.00 C ATOM 1856 OG SER A 107 26.799 5.048 15.067 1.00 0.00 O ATOM 1857 OXT SER A 107 28.972 5.090 13.434 1.00 0.00 O ATOM 0 H SER A 107 25.811 7.658 12.346 1.00 0.00 H new ATOM 0 HA SER A 107 27.913 7.342 14.327 1.00 0.00 H new ATOM 0 HB2 SER A 107 25.542 6.645 14.686 1.00 0.00 H new ATOM 0 HB3 SER A 107 25.679 5.480 13.384 1.00 0.00 H new ATOM 0 HG SER A 107 27.696 4.795 14.764 1.00 0.00 H new TER 1863 SER A 107