USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot -170:sc= 0.968 USER MOD Set 1.2: A 46 THR OG1 : rot 123:sc= 1.18 USER MOD Set 2.1: A 26 TYR OH : rot 165:sc= 0.158 USER MOD Set 2.2: A 35 SER OG : rot 157:sc= 0.161 USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= 0.0725 X(o=-0.12,f=0.15) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.0792 X(o=0.15,f=0) USER MOD Set 4.1: A 18 MET CE :methyl -169:sc= -0.736 (180deg=-1.41!) USER MOD Set 4.2: A 39 LYS NZ :NH3+ -125:sc= -0.0912 (180deg=0.00888) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.17 (180deg=-0.789) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.161 (180deg=-0.0553) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.013 (180deg=-0.237) USER MOD Single : A 4 ASN : amide:sc=-0.00939 K(o=-0.0094,f=-0.89) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.2) USER MOD Single : A 22 SER OG : rot 81:sc= 0.253 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.885 USER MOD Single : A 34 CYS SG : rot 73:sc= 0.407 USER MOD Single : A 42 CYS SG : rot 180:sc=7.67e-05 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0832 F(o=-0.81,f=-0.083) USER MOD Single : A 54 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00113 USER MOD Single : A 66 THR OG1 : rot -125:sc= 0.137 USER MOD Single : A 67 THR OG1 : rot -39:sc= 0.972 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0347) USER MOD Single : A 80 ASN : amide:sc= 1.21 K(o=1.2,f=-1.2!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 94 SER OG : rot 50:sc= 0.0662 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0466) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.0381 (180deg=-0.343) USER MOD Single : A 108 LYS NZ :NH3+ 160:sc= -0.0688 (180deg=-0.433) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.911 -28.253 10.306 1.00 0.00 N ATOM 2 CA MET A 1 5.764 -27.342 11.460 1.00 0.00 C ATOM 3 C MET A 1 5.989 -25.906 11.020 1.00 0.00 C ATOM 4 O MET A 1 6.355 -25.654 9.872 1.00 0.00 O ATOM 5 CB MET A 1 6.753 -27.716 12.570 1.00 0.00 C ATOM 6 CG MET A 1 8.217 -27.565 12.182 1.00 0.00 C ATOM 7 SD MET A 1 9.338 -28.051 13.511 1.00 0.00 S ATOM 8 CE MET A 1 8.887 -29.771 13.728 1.00 0.00 C ATOM 0 H1 MET A 1 4.987 -28.670 10.073 1.00 0.00 H new ATOM 0 H2 MET A 1 6.267 -27.721 9.487 1.00 0.00 H new ATOM 0 H3 MET A 1 6.582 -29.010 10.545 1.00 0.00 H new ATOM 0 HA MET A 1 4.752 -27.438 11.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.554 -27.093 13.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.573 -28.749 12.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.420 -28.172 11.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.412 -26.528 11.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.716 -30.309 14.188 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.009 -29.839 14.371 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.661 -30.213 12.758 1.00 0.00 H new ATOM 20 N THR A 2 5.766 -24.970 11.929 1.00 0.00 N ATOM 21 CA THR A 2 5.942 -23.561 11.634 1.00 0.00 C ATOM 22 C THR A 2 7.417 -23.169 11.670 1.00 0.00 C ATOM 23 O THR A 2 8.174 -23.618 12.529 1.00 0.00 O ATOM 24 CB THR A 2 5.142 -22.693 12.622 1.00 0.00 C ATOM 25 OG1 THR A 2 5.191 -23.277 13.932 1.00 0.00 O ATOM 26 CG2 THR A 2 3.696 -22.554 12.171 1.00 0.00 C ATOM 0 H THR A 2 5.461 -25.165 12.883 1.00 0.00 H new ATOM 0 HA THR A 2 5.565 -23.386 10.626 1.00 0.00 H new ATOM 0 HB THR A 2 5.590 -21.700 12.651 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.682 -22.720 14.558 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.150 -21.937 12.884 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.665 -22.085 11.187 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.235 -23.540 12.118 1.00 0.00 H new ATOM 34 N LYS A 3 7.816 -22.330 10.725 1.00 0.00 N ATOM 35 CA LYS A 3 9.200 -21.888 10.619 1.00 0.00 C ATOM 36 C LYS A 3 9.373 -20.527 11.282 1.00 0.00 C ATOM 37 O LYS A 3 10.309 -19.783 10.980 1.00 0.00 O ATOM 38 CB LYS A 3 9.607 -21.805 9.145 1.00 0.00 C ATOM 39 CG LYS A 3 8.871 -20.719 8.367 1.00 0.00 C ATOM 40 CD LYS A 3 9.253 -20.725 6.896 1.00 0.00 C ATOM 41 CE LYS A 3 8.713 -21.956 6.191 1.00 0.00 C ATOM 42 NZ LYS A 3 7.229 -21.936 6.104 1.00 0.00 N ATOM 0 H LYS A 3 7.196 -21.939 10.016 1.00 0.00 H new ATOM 0 HA LYS A 3 9.839 -22.609 11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.680 -21.621 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.421 -22.769 8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.795 -20.867 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.099 -19.744 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.865 -19.828 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.338 -20.695 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.135 -22.015 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.034 -22.851 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.912 -22.643 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.824 -22.160 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.911 -20.992 5.806 1.00 0.00 H new ATOM 56 N ASN A 4 8.475 -20.216 12.205 1.00 0.00 N ATOM 57 CA ASN A 4 8.449 -18.902 12.835 1.00 0.00 C ATOM 58 C ASN A 4 9.519 -18.771 13.917 1.00 0.00 C ATOM 59 O ASN A 4 9.214 -18.609 15.098 1.00 0.00 O ATOM 60 CB ASN A 4 7.066 -18.609 13.420 1.00 0.00 C ATOM 61 CG ASN A 4 6.001 -18.451 12.350 1.00 0.00 C ATOM 62 OD1 ASN A 4 6.280 -18.004 11.236 1.00 0.00 O ATOM 63 ND2 ASN A 4 4.774 -18.822 12.675 1.00 0.00 N ATOM 0 H ASN A 4 7.753 -20.856 12.536 1.00 0.00 H new ATOM 0 HA ASN A 4 8.667 -18.167 12.060 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.782 -19.417 14.094 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.114 -17.698 14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.020 -18.743 11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.582 -19.188 13.608 1.00 0.00 H new ATOM 70 N THR A 5 10.773 -18.857 13.505 1.00 0.00 N ATOM 71 CA THR A 5 11.896 -18.588 14.388 1.00 0.00 C ATOM 72 C THR A 5 12.477 -17.217 14.056 1.00 0.00 C ATOM 73 O THR A 5 13.682 -16.983 14.168 1.00 0.00 O ATOM 74 CB THR A 5 12.986 -19.670 14.252 1.00 0.00 C ATOM 75 OG1 THR A 5 13.283 -19.902 12.866 1.00 0.00 O ATOM 76 CG2 THR A 5 12.542 -20.971 14.904 1.00 0.00 C ATOM 0 H THR A 5 11.040 -19.114 12.555 1.00 0.00 H new ATOM 0 HA THR A 5 11.540 -18.601 15.418 1.00 0.00 H new ATOM 0 HB THR A 5 13.882 -19.314 14.759 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.977 -20.589 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.327 -21.719 14.795 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.348 -20.800 15.963 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.632 -21.328 14.422 1.00 0.00 H new ATOM 84 N ARG A 6 11.591 -16.317 13.648 1.00 0.00 N ATOM 85 CA ARG A 6 11.981 -14.988 13.208 1.00 0.00 C ATOM 86 C ARG A 6 11.864 -13.996 14.355 1.00 0.00 C ATOM 87 O ARG A 6 11.488 -14.358 15.471 1.00 0.00 O ATOM 88 CB ARG A 6 11.070 -14.523 12.068 1.00 0.00 C ATOM 89 CG ARG A 6 10.868 -15.540 10.956 1.00 0.00 C ATOM 90 CD ARG A 6 9.785 -15.075 9.996 1.00 0.00 C ATOM 91 NE ARG A 6 9.488 -16.064 8.963 1.00 0.00 N ATOM 92 CZ ARG A 6 8.255 -16.358 8.549 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.198 -15.811 9.138 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.078 -17.212 7.552 1.00 0.00 N ATOM 0 H ARG A 6 10.586 -16.489 13.614 1.00 0.00 H new ATOM 0 HA ARG A 6 13.014 -15.033 12.864 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.097 -14.262 12.483 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.487 -13.613 11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.803 -15.686 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.593 -16.504 11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.876 -14.857 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.099 -14.144 9.523 1.00 0.00 H new ATOM 0 HE ARG A 6 10.270 -16.559 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.326 -15.161 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.258 -16.041 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.885 -17.644 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.135 -17.437 7.235 1.00 0.00 H new ATOM 108 N PHE A 7 12.165 -12.742 14.068 1.00 0.00 N ATOM 109 CA PHE A 7 11.981 -11.672 15.032 1.00 0.00 C ATOM 110 C PHE A 7 10.822 -10.793 14.585 1.00 0.00 C ATOM 111 O PHE A 7 10.450 -10.806 13.407 1.00 0.00 O ATOM 112 CB PHE A 7 13.257 -10.834 15.171 1.00 0.00 C ATOM 113 CG PHE A 7 14.437 -11.611 15.680 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.616 -11.815 17.040 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.367 -12.138 14.798 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.699 -12.530 17.509 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.453 -12.856 15.265 1.00 0.00 C ATOM 118 CZ PHE A 7 16.619 -13.052 16.622 1.00 0.00 C ATOM 0 H PHE A 7 12.540 -12.439 13.169 1.00 0.00 H new ATOM 0 HA PHE A 7 11.759 -12.107 16.006 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.507 -10.405 14.201 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.062 -10.001 15.847 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.900 -11.410 17.740 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.243 -11.987 13.736 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.827 -12.681 18.571 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.171 -13.263 14.569 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.467 -13.612 16.988 1.00 0.00 H new ATOM 128 N SER A 8 10.243 -10.051 15.517 1.00 0.00 N ATOM 129 CA SER A 8 9.159 -9.134 15.195 1.00 0.00 C ATOM 130 C SER A 8 9.616 -8.114 14.152 1.00 0.00 C ATOM 131 O SER A 8 10.772 -7.682 14.162 1.00 0.00 O ATOM 132 CB SER A 8 8.693 -8.419 16.465 1.00 0.00 C ATOM 133 OG SER A 8 8.403 -9.351 17.494 1.00 0.00 O ATOM 0 H SER A 8 10.505 -10.066 16.503 1.00 0.00 H new ATOM 0 HA SER A 8 8.327 -9.702 14.780 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.466 -7.728 16.802 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.806 -7.824 16.247 1.00 0.00 H new ATOM 0 HG SER A 8 8.109 -8.871 18.296 1.00 0.00 H new ATOM 139 N PRO A 9 8.720 -7.719 13.231 1.00 0.00 N ATOM 140 CA PRO A 9 9.039 -6.750 12.178 1.00 0.00 C ATOM 141 C PRO A 9 9.558 -5.435 12.753 1.00 0.00 C ATOM 142 O PRO A 9 10.368 -4.746 12.131 1.00 0.00 O ATOM 143 CB PRO A 9 7.702 -6.530 11.454 1.00 0.00 C ATOM 144 CG PRO A 9 6.663 -7.078 12.373 1.00 0.00 C ATOM 145 CD PRO A 9 7.330 -8.186 13.134 1.00 0.00 C ATOM 0 HA PRO A 9 9.828 -7.113 11.520 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.532 -5.472 11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.686 -7.043 10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.294 -6.307 13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.804 -7.450 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.881 -8.329 14.117 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.258 -9.138 12.609 1.00 0.00 H new ATOM 153 N GLU A 10 9.104 -5.115 13.960 1.00 0.00 N ATOM 154 CA GLU A 10 9.505 -3.895 14.644 1.00 0.00 C ATOM 155 C GLU A 10 10.989 -3.933 14.999 1.00 0.00 C ATOM 156 O GLU A 10 11.647 -2.895 15.046 1.00 0.00 O ATOM 157 CB GLU A 10 8.678 -3.712 15.916 1.00 0.00 C ATOM 158 CG GLU A 10 7.182 -3.849 15.692 1.00 0.00 C ATOM 159 CD GLU A 10 6.376 -3.500 16.921 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.206 -4.374 17.797 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.914 -2.345 17.020 1.00 0.00 O ATOM 0 H GLU A 10 8.450 -5.693 14.488 1.00 0.00 H new ATOM 0 HA GLU A 10 9.329 -3.055 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.995 -4.448 16.655 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.886 -2.728 16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.881 -3.201 14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.956 -4.872 15.392 1.00 0.00 H new ATOM 168 N VAL A 11 11.512 -5.133 15.230 1.00 0.00 N ATOM 169 CA VAL A 11 12.900 -5.299 15.646 1.00 0.00 C ATOM 170 C VAL A 11 13.859 -4.764 14.590 1.00 0.00 C ATOM 171 O VAL A 11 14.726 -3.950 14.893 1.00 0.00 O ATOM 172 CB VAL A 11 13.237 -6.777 15.942 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.703 -6.938 16.321 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.339 -7.318 17.046 1.00 0.00 C ATOM 0 H VAL A 11 10.994 -6.007 15.136 1.00 0.00 H new ATOM 0 HA VAL A 11 13.021 -4.725 16.564 1.00 0.00 H new ATOM 0 HB VAL A 11 13.057 -7.352 15.034 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.913 -7.988 16.524 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.331 -6.595 15.499 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.916 -6.347 17.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.590 -8.360 17.241 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.486 -6.733 17.954 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.297 -7.248 16.734 1.00 0.00 H new ATOM 184 N ARG A 12 13.685 -5.200 13.347 1.00 0.00 N ATOM 185 CA ARG A 12 14.568 -4.773 12.266 1.00 0.00 C ATOM 186 C ARG A 12 14.393 -3.285 11.983 1.00 0.00 C ATOM 187 O ARG A 12 15.347 -2.591 11.629 1.00 0.00 O ATOM 188 CB ARG A 12 14.302 -5.575 10.990 1.00 0.00 C ATOM 189 CG ARG A 12 14.396 -7.081 11.175 1.00 0.00 C ATOM 190 CD ARG A 12 14.344 -7.818 9.847 1.00 0.00 C ATOM 191 NE ARG A 12 13.199 -7.418 9.032 1.00 0.00 N ATOM 192 CZ ARG A 12 12.064 -8.111 8.953 1.00 0.00 C ATOM 193 NH1 ARG A 12 11.903 -9.207 9.680 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.088 -7.714 8.149 1.00 0.00 N ATOM 0 H ARG A 12 12.947 -5.844 13.064 1.00 0.00 H new ATOM 0 HA ARG A 12 15.594 -4.956 12.586 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.308 -5.326 10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.015 -5.268 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.324 -7.326 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.579 -7.421 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.264 -7.629 9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.298 -8.891 10.032 1.00 0.00 H new ATOM 0 HE ARG A 12 13.273 -6.556 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.649 -9.521 10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.033 -9.737 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.203 -6.872 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.222 -8.250 8.094 1.00 0.00 H new ATOM 208 N GLN A 13 13.170 -2.802 12.153 1.00 0.00 N ATOM 209 CA GLN A 13 12.858 -1.401 11.907 1.00 0.00 C ATOM 210 C GLN A 13 13.588 -0.521 12.924 1.00 0.00 C ATOM 211 O GLN A 13 14.319 0.401 12.553 1.00 0.00 O ATOM 212 CB GLN A 13 11.339 -1.189 11.991 1.00 0.00 C ATOM 213 CG GLN A 13 10.824 -0.016 11.167 1.00 0.00 C ATOM 214 CD GLN A 13 11.155 1.341 11.757 1.00 0.00 C ATOM 215 OE1 GLN A 13 11.245 1.506 12.976 1.00 0.00 O ATOM 216 NE2 GLN A 13 11.334 2.325 10.894 1.00 0.00 N ATOM 0 H GLN A 13 12.375 -3.362 12.461 1.00 0.00 H new ATOM 0 HA GLN A 13 13.193 -1.121 10.908 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.838 -2.099 11.660 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.062 -1.035 13.034 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.244 -0.077 10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.742 -0.103 11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.251 2.147 9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.556 3.263 11.229 1.00 0.00 H new ATOM 225 N ARG A 14 13.409 -0.835 14.204 1.00 0.00 N ATOM 226 CA ARG A 14 14.015 -0.057 15.280 1.00 0.00 C ATOM 227 C ARG A 14 15.532 -0.241 15.294 1.00 0.00 C ATOM 228 O ARG A 14 16.267 0.651 15.716 1.00 0.00 O ATOM 229 CB ARG A 14 13.425 -0.462 16.637 1.00 0.00 C ATOM 230 CG ARG A 14 11.911 -0.327 16.716 1.00 0.00 C ATOM 231 CD ARG A 14 11.376 -0.775 18.069 1.00 0.00 C ATOM 232 NE ARG A 14 9.919 -0.917 18.067 1.00 0.00 N ATOM 233 CZ ARG A 14 9.208 -1.319 19.124 1.00 0.00 C ATOM 234 NH1 ARG A 14 9.800 -1.512 20.298 1.00 0.00 N ATOM 235 NH2 ARG A 14 7.896 -1.496 19.010 1.00 0.00 N ATOM 0 H ARG A 14 12.848 -1.625 14.522 1.00 0.00 H new ATOM 0 HA ARG A 14 13.794 0.995 15.101 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.699 -1.496 16.847 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.876 0.152 17.416 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.628 0.711 16.538 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.451 -0.922 15.927 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.832 -1.727 18.341 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.668 -0.052 18.831 1.00 0.00 H new ATOM 0 HE ARG A 14 9.417 -0.696 17.207 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.803 -1.353 20.396 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.252 -1.819 21.101 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.434 -1.325 18.117 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.351 -1.803 19.816 1.00 0.00 H new ATOM 249 N ALA A 15 15.990 -1.398 14.825 1.00 0.00 N ATOM 250 CA ALA A 15 17.417 -1.683 14.744 1.00 0.00 C ATOM 251 C ALA A 15 18.115 -0.695 13.823 1.00 0.00 C ATOM 252 O ALA A 15 19.059 -0.016 14.226 1.00 0.00 O ATOM 253 CB ALA A 15 17.653 -3.109 14.268 1.00 0.00 C ATOM 0 H ALA A 15 15.391 -2.155 14.495 1.00 0.00 H new ATOM 0 HA ALA A 15 17.840 -1.577 15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.724 -3.302 14.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.193 -3.807 14.968 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.211 -3.241 13.281 1.00 0.00 H new ATOM 259 N VAL A 16 17.627 -0.598 12.593 1.00 0.00 N ATOM 260 CA VAL A 16 18.211 0.309 11.611 1.00 0.00 C ATOM 261 C VAL A 16 18.080 1.756 12.080 1.00 0.00 C ATOM 262 O VAL A 16 18.973 2.574 11.865 1.00 0.00 O ATOM 263 CB VAL A 16 17.554 0.144 10.224 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.195 1.072 9.202 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.649 -1.301 9.762 1.00 0.00 C ATOM 0 H VAL A 16 16.830 -1.135 12.251 1.00 0.00 H new ATOM 0 HA VAL A 16 19.267 0.055 11.516 1.00 0.00 H new ATOM 0 HB VAL A 16 16.502 0.415 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.713 0.935 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.075 2.106 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.256 0.840 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.181 -1.401 8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.697 -1.594 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.137 -1.946 10.476 1.00 0.00 H new ATOM 275 N ARG A 17 16.965 2.057 12.735 1.00 0.00 N ATOM 276 CA ARG A 17 16.757 3.368 13.342 1.00 0.00 C ATOM 277 C ARG A 17 17.878 3.695 14.320 1.00 0.00 C ATOM 278 O ARG A 17 18.516 4.743 14.224 1.00 0.00 O ATOM 279 CB ARG A 17 15.413 3.399 14.068 1.00 0.00 C ATOM 280 CG ARG A 17 14.227 3.627 13.148 1.00 0.00 C ATOM 281 CD ARG A 17 14.149 5.081 12.715 1.00 0.00 C ATOM 282 NE ARG A 17 13.949 5.976 13.853 1.00 0.00 N ATOM 283 CZ ARG A 17 12.761 6.444 14.229 1.00 0.00 C ATOM 284 NH1 ARG A 17 11.670 6.146 13.534 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.664 7.219 15.295 1.00 0.00 N ATOM 0 H ARG A 17 16.188 1.409 12.860 1.00 0.00 H new ATOM 0 HA ARG A 17 16.758 4.117 12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.275 2.457 14.598 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.435 4.187 14.820 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.314 2.986 12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.306 3.345 13.659 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.066 5.355 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.330 5.206 12.006 1.00 0.00 H new ATOM 0 HE ARG A 17 14.768 6.259 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.739 5.555 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.763 6.508 13.828 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.499 7.458 15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.754 7.578 15.583 1.00 0.00 H new ATOM 299 N MET A 18 18.118 2.777 15.244 1.00 0.00 N ATOM 300 CA MET A 18 19.158 2.943 16.252 1.00 0.00 C ATOM 301 C MET A 18 20.529 3.053 15.588 1.00 0.00 C ATOM 302 O MET A 18 21.395 3.812 16.040 1.00 0.00 O ATOM 303 CB MET A 18 19.118 1.760 17.223 1.00 0.00 C ATOM 304 CG MET A 18 20.008 1.920 18.445 1.00 0.00 C ATOM 305 SD MET A 18 19.750 0.605 19.657 1.00 0.00 S ATOM 306 CE MET A 18 17.997 0.791 19.977 1.00 0.00 C ATOM 0 H MET A 18 17.602 1.900 15.318 1.00 0.00 H new ATOM 0 HA MET A 18 18.979 3.863 16.808 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.090 1.612 17.554 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.414 0.857 16.689 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.052 1.924 18.133 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.811 2.885 18.912 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.719 0.188 20.842 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.773 1.839 20.178 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.431 0.459 19.106 1.00 0.00 H new ATOM 316 N VAL A 19 20.713 2.294 14.508 1.00 0.00 N ATOM 317 CA VAL A 19 21.941 2.354 13.725 1.00 0.00 C ATOM 318 C VAL A 19 22.147 3.748 13.146 1.00 0.00 C ATOM 319 O VAL A 19 23.226 4.313 13.261 1.00 0.00 O ATOM 320 CB VAL A 19 21.948 1.313 12.579 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.162 1.503 11.680 1.00 0.00 C ATOM 322 CG2 VAL A 19 21.924 -0.102 13.136 1.00 0.00 C ATOM 0 H VAL A 19 20.023 1.629 14.157 1.00 0.00 H new ATOM 0 HA VAL A 19 22.760 2.119 14.405 1.00 0.00 H new ATOM 0 HB VAL A 19 21.049 1.467 11.982 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.144 0.760 10.883 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.140 2.502 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.072 1.383 12.268 1.00 0.00 H new ATOM 0 HG21 VAL A 19 21.929 -0.817 12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 19 22.802 -0.262 13.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.023 -0.243 13.733 1.00 0.00 H new ATOM 332 N LEU A 20 21.104 4.304 12.543 1.00 0.00 N ATOM 333 CA LEU A 20 21.183 5.634 11.947 1.00 0.00 C ATOM 334 C LEU A 20 21.490 6.695 13.001 1.00 0.00 C ATOM 335 O LEU A 20 22.337 7.571 12.788 1.00 0.00 O ATOM 336 CB LEU A 20 19.876 5.973 11.230 1.00 0.00 C ATOM 337 CG LEU A 20 19.536 5.076 10.036 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.198 5.470 9.431 1.00 0.00 C ATOM 339 CD2 LEU A 20 20.635 5.150 8.985 1.00 0.00 C ATOM 0 H LEU A 20 20.192 3.855 12.453 1.00 0.00 H new ATOM 0 HA LEU A 20 21.997 5.628 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.060 5.917 11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.926 7.006 10.885 1.00 0.00 H new ATOM 0 HG LEU A 20 19.463 4.048 10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.976 4.820 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.415 5.368 10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.243 6.505 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 20 20.378 4.507 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.738 6.178 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.578 4.818 9.420 1.00 0.00 H new ATOM 351 N GLU A 21 20.818 6.601 14.143 1.00 0.00 N ATOM 352 CA GLU A 21 21.028 7.546 15.234 1.00 0.00 C ATOM 353 C GLU A 21 22.474 7.505 15.717 1.00 0.00 C ATOM 354 O GLU A 21 23.096 8.542 15.947 1.00 0.00 O ATOM 355 CB GLU A 21 20.078 7.239 16.390 1.00 0.00 C ATOM 356 CG GLU A 21 18.612 7.425 16.039 1.00 0.00 C ATOM 357 CD GLU A 21 17.698 7.130 17.206 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.492 8.031 18.044 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.178 6.000 17.293 1.00 0.00 O ATOM 0 H GLU A 21 20.123 5.880 14.337 1.00 0.00 H new ATOM 0 HA GLU A 21 20.819 8.549 14.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.237 6.211 16.717 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.326 7.884 17.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.449 8.449 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.355 6.771 15.205 1.00 0.00 H new ATOM 366 N SER A 22 23.014 6.303 15.845 1.00 0.00 N ATOM 367 CA SER A 22 24.384 6.134 16.299 1.00 0.00 C ATOM 368 C SER A 22 25.371 6.404 15.163 1.00 0.00 C ATOM 369 O SER A 22 26.535 6.706 15.403 1.00 0.00 O ATOM 370 CB SER A 22 24.582 4.726 16.860 1.00 0.00 C ATOM 371 OG SER A 22 23.685 4.474 17.928 1.00 0.00 O ATOM 0 H SER A 22 22.525 5.432 15.641 1.00 0.00 H new ATOM 0 HA SER A 22 24.577 6.857 17.091 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.428 3.991 16.070 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.609 4.610 17.208 1.00 0.00 H new ATOM 0 HG SER A 22 22.809 4.224 17.567 1.00 0.00 H new ATOM 377 N GLN A 23 24.896 6.307 13.927 1.00 0.00 N ATOM 378 CA GLN A 23 25.736 6.538 12.753 1.00 0.00 C ATOM 379 C GLN A 23 26.123 8.007 12.661 1.00 0.00 C ATOM 380 O GLN A 23 27.196 8.350 12.172 1.00 0.00 O ATOM 381 CB GLN A 23 25.001 6.113 11.477 1.00 0.00 C ATOM 382 CG GLN A 23 25.876 6.102 10.234 1.00 0.00 C ATOM 383 CD GLN A 23 25.088 5.802 8.976 1.00 0.00 C ATOM 384 OE1 GLN A 23 24.936 4.525 8.664 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 24.610 6.707 8.297 1.00 0.00 N flip ATOM 0 H GLN A 23 23.928 6.069 13.709 1.00 0.00 H new ATOM 0 HA GLN A 23 26.641 5.939 12.855 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.585 5.116 11.625 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.161 6.788 11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.367 7.070 10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 23 26.663 5.357 10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.750 7.679 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.073 6.486 7.458 1.00 0.00 H new ATOM 394 N GLY A 24 25.234 8.874 13.130 1.00 0.00 N ATOM 395 CA GLY A 24 25.534 10.292 13.172 1.00 0.00 C ATOM 396 C GLY A 24 26.582 10.628 14.221 1.00 0.00 C ATOM 397 O GLY A 24 27.180 11.706 14.196 1.00 0.00 O ATOM 0 H GLY A 24 24.311 8.620 13.482 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.886 10.616 12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.621 10.849 13.382 1.00 0.00 H new ATOM 401 N GLU A 25 26.812 9.694 15.137 1.00 0.00 N ATOM 402 CA GLU A 25 27.774 9.890 16.210 1.00 0.00 C ATOM 403 C GLU A 25 29.081 9.171 15.891 1.00 0.00 C ATOM 404 O GLU A 25 30.164 9.743 16.013 1.00 0.00 O ATOM 405 CB GLU A 25 27.194 9.380 17.527 1.00 0.00 C ATOM 406 CG GLU A 25 28.022 9.749 18.740 1.00 0.00 C ATOM 407 CD GLU A 25 27.401 9.253 20.025 1.00 0.00 C ATOM 408 OE1 GLU A 25 26.420 9.872 20.495 1.00 0.00 O ATOM 409 OE2 GLU A 25 27.892 8.249 20.574 1.00 0.00 O ATOM 0 H GLU A 25 26.341 8.789 15.156 1.00 0.00 H new ATOM 0 HA GLU A 25 27.983 10.955 16.306 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.188 9.780 17.650 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.102 8.295 17.477 1.00 0.00 H new ATOM 0 HG2 GLU A 25 29.023 9.330 18.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 28.133 10.832 18.786 1.00 0.00 H new ATOM 416 N TYR A 26 28.975 7.918 15.470 1.00 0.00 N ATOM 417 CA TYR A 26 30.151 7.131 15.119 1.00 0.00 C ATOM 418 C TYR A 26 30.547 7.382 13.670 1.00 0.00 C ATOM 419 O TYR A 26 29.766 7.128 12.753 1.00 0.00 O ATOM 420 CB TYR A 26 29.897 5.635 15.324 1.00 0.00 C ATOM 421 CG TYR A 26 29.576 5.237 16.752 1.00 0.00 C ATOM 422 CD1 TYR A 26 30.580 5.106 17.706 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.269 4.983 17.141 1.00 0.00 C ATOM 424 CE1 TYR A 26 30.284 4.736 19.006 1.00 0.00 C ATOM 425 CE2 TYR A 26 27.966 4.614 18.436 1.00 0.00 C ATOM 426 CZ TYR A 26 28.973 4.490 19.364 1.00 0.00 C ATOM 427 OH TYR A 26 28.667 4.119 20.655 1.00 0.00 O ATOM 0 H TYR A 26 28.089 7.425 15.363 1.00 0.00 H new ATOM 0 HA TYR A 26 30.963 7.441 15.776 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.071 5.329 14.682 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.778 5.082 14.996 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.606 5.296 17.428 1.00 0.00 H new ATOM 0 HD2 TYR A 26 27.473 5.076 16.417 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.074 4.640 19.737 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.941 4.423 18.719 1.00 0.00 H new ATOM 0 HH TYR A 26 27.703 4.217 20.804 1.00 0.00 H new ATOM 437 N ASP A 27 31.763 7.883 13.475 1.00 0.00 N ATOM 438 CA ASP A 27 32.292 8.151 12.137 1.00 0.00 C ATOM 439 C ASP A 27 32.221 6.909 11.256 1.00 0.00 C ATOM 440 O ASP A 27 31.653 6.940 10.164 1.00 0.00 O ATOM 441 CB ASP A 27 33.742 8.638 12.222 1.00 0.00 C ATOM 442 CG ASP A 27 33.854 10.057 12.739 1.00 0.00 C ATOM 443 OD1 ASP A 27 33.504 10.292 13.911 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.278 10.946 11.970 1.00 0.00 O ATOM 0 H ASP A 27 32.407 8.114 14.232 1.00 0.00 H new ATOM 0 HA ASP A 27 31.675 8.930 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.307 7.972 12.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.199 8.579 11.234 1.00 0.00 H new ATOM 449 N SER A 28 32.793 5.820 11.741 1.00 0.00 N ATOM 450 CA SER A 28 32.787 4.571 11.005 1.00 0.00 C ATOM 451 C SER A 28 31.541 3.759 11.343 1.00 0.00 C ATOM 452 O SER A 28 31.247 3.517 12.516 1.00 0.00 O ATOM 453 CB SER A 28 34.048 3.773 11.331 1.00 0.00 C ATOM 454 OG SER A 28 35.209 4.559 11.111 1.00 0.00 O ATOM 0 H SER A 28 33.268 5.777 12.643 1.00 0.00 H new ATOM 0 HA SER A 28 32.773 4.790 9.937 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.017 3.443 12.369 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.087 2.876 10.713 1.00 0.00 H new ATOM 0 HG SER A 28 36.007 4.032 11.327 1.00 0.00 H new ATOM 460 N GLN A 29 30.816 3.346 10.307 1.00 0.00 N ATOM 461 CA GLN A 29 29.581 2.585 10.472 1.00 0.00 C ATOM 462 C GLN A 29 29.830 1.285 11.238 1.00 0.00 C ATOM 463 O GLN A 29 28.965 0.803 11.968 1.00 0.00 O ATOM 464 CB GLN A 29 28.979 2.278 9.096 1.00 0.00 C ATOM 465 CG GLN A 29 27.552 1.765 9.149 1.00 0.00 C ATOM 466 CD GLN A 29 27.016 1.393 7.782 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.116 0.244 7.355 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.466 2.368 7.076 1.00 0.00 N ATOM 0 H GLN A 29 31.066 3.528 9.335 1.00 0.00 H new ATOM 0 HA GLN A 29 28.881 3.187 11.051 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.007 3.182 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.602 1.538 8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.507 0.894 9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.912 2.528 9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.402 3.308 7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.106 2.180 6.141 1.00 0.00 H new ATOM 477 N TRP A 30 31.023 0.730 11.071 1.00 0.00 N ATOM 478 CA TRP A 30 31.400 -0.509 11.737 1.00 0.00 C ATOM 479 C TRP A 30 31.394 -0.339 13.253 1.00 0.00 C ATOM 480 O TRP A 30 30.971 -1.234 13.982 1.00 0.00 O ATOM 481 CB TRP A 30 32.777 -0.963 11.262 1.00 0.00 C ATOM 482 CG TRP A 30 32.833 -1.224 9.791 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.624 -2.416 9.166 1.00 0.00 C ATOM 484 CD2 TRP A 30 33.114 -0.273 8.760 1.00 0.00 C ATOM 485 NE1 TRP A 30 32.751 -2.265 7.808 1.00 0.00 N ATOM 486 CE2 TRP A 30 33.054 -0.959 7.534 1.00 0.00 C ATOM 487 CE3 TRP A 30 33.407 1.093 8.756 1.00 0.00 C ATOM 488 CZ2 TRP A 30 33.282 -0.323 6.316 1.00 0.00 C ATOM 489 CZ3 TRP A 30 33.634 1.722 7.549 1.00 0.00 C ATOM 490 CH2 TRP A 30 33.568 1.016 6.344 1.00 0.00 C ATOM 0 H TRP A 30 31.752 1.123 10.475 1.00 0.00 H new ATOM 0 HA TRP A 30 30.666 -1.272 11.479 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.513 -0.201 11.518 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.059 -1.870 11.797 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.392 -3.345 9.666 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.638 -3.006 7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.455 1.647 9.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 33.235 -0.866 5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 33.866 2.777 7.535 1.00 0.00 H new ATOM 0 HH2 TRP A 30 33.746 1.538 5.415 1.00 0.00 H new ATOM 501 N ALA A 31 31.846 0.824 13.718 1.00 0.00 N ATOM 502 CA ALA A 31 31.849 1.126 15.145 1.00 0.00 C ATOM 503 C ALA A 31 30.419 1.174 15.669 1.00 0.00 C ATOM 504 O ALA A 31 30.143 0.775 16.800 1.00 0.00 O ATOM 505 CB ALA A 31 32.567 2.444 15.408 1.00 0.00 C ATOM 0 H ALA A 31 32.214 1.570 13.128 1.00 0.00 H new ATOM 0 HA ALA A 31 32.386 0.338 15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.560 2.655 16.477 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.597 2.373 15.058 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.058 3.248 14.877 1.00 0.00 H new ATOM 511 N THR A 32 29.517 1.658 14.825 1.00 0.00 N ATOM 512 CA THR A 32 28.099 1.669 15.130 1.00 0.00 C ATOM 513 C THR A 32 27.582 0.239 15.290 1.00 0.00 C ATOM 514 O THR A 32 26.897 -0.084 16.263 1.00 0.00 O ATOM 515 CB THR A 32 27.316 2.379 14.007 1.00 0.00 C ATOM 516 OG1 THR A 32 27.918 3.647 13.721 1.00 0.00 O ATOM 517 CG2 THR A 32 25.868 2.587 14.402 1.00 0.00 C ATOM 0 H THR A 32 29.750 2.052 13.914 1.00 0.00 H new ATOM 0 HA THR A 32 27.951 2.210 16.065 1.00 0.00 H new ATOM 0 HB THR A 32 27.347 1.747 13.120 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.642 3.947 12.830 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.339 3.090 13.592 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.401 1.621 14.596 1.00 0.00 H new ATOM 0 HG23 THR A 32 25.821 3.200 15.302 1.00 0.00 H new ATOM 525 N ILE A 33 27.942 -0.613 14.336 1.00 0.00 N ATOM 526 CA ILE A 33 27.524 -2.010 14.342 1.00 0.00 C ATOM 527 C ILE A 33 28.034 -2.733 15.589 1.00 0.00 C ATOM 528 O ILE A 33 27.265 -3.380 16.298 1.00 0.00 O ATOM 529 CB ILE A 33 28.030 -2.746 13.082 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.527 -2.043 11.817 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.587 -4.206 13.100 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.070 -2.634 10.536 1.00 0.00 C ATOM 0 H ILE A 33 28.528 -0.357 13.542 1.00 0.00 H new ATOM 0 HA ILE A 33 26.434 -2.020 14.347 1.00 0.00 H new ATOM 0 HB ILE A 33 29.120 -2.721 13.080 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.438 -2.089 11.795 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.800 -0.989 11.865 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.953 -4.708 12.204 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.993 -4.698 13.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.498 -4.256 13.125 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.670 -2.085 9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.158 -2.563 10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.774 -3.681 10.464 1.00 0.00 H new ATOM 544 N CYS A 34 29.326 -2.590 15.866 1.00 0.00 N ATOM 545 CA CYS A 34 29.949 -3.255 17.012 1.00 0.00 C ATOM 546 C CYS A 34 29.396 -2.735 18.340 1.00 0.00 C ATOM 547 O CYS A 34 29.563 -3.367 19.382 1.00 0.00 O ATOM 548 CB CYS A 34 31.468 -3.066 16.968 1.00 0.00 C ATOM 549 SG CYS A 34 32.249 -3.728 15.477 1.00 0.00 S ATOM 0 H CYS A 34 29.966 -2.019 15.313 1.00 0.00 H new ATOM 0 HA CYS A 34 29.712 -4.317 16.946 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.694 -2.002 17.042 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.909 -3.547 17.841 1.00 0.00 H new ATOM 0 HG CYS A 34 31.979 -2.956 14.466 1.00 0.00 H new ATOM 555 N SER A 35 28.744 -1.583 18.295 1.00 0.00 N ATOM 556 CA SER A 35 28.150 -0.994 19.483 1.00 0.00 C ATOM 557 C SER A 35 26.730 -1.525 19.694 1.00 0.00 C ATOM 558 O SER A 35 26.352 -1.893 20.805 1.00 0.00 O ATOM 559 CB SER A 35 28.139 0.535 19.345 1.00 0.00 C ATOM 560 OG SER A 35 27.552 1.166 20.473 1.00 0.00 O ATOM 0 H SER A 35 28.613 -1.036 17.444 1.00 0.00 H new ATOM 0 HA SER A 35 28.745 -1.270 20.354 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.160 0.895 19.219 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.589 0.814 18.446 1.00 0.00 H new ATOM 0 HG SER A 35 27.876 2.089 20.537 1.00 0.00 H new ATOM 566 N ILE A 36 25.964 -1.598 18.613 1.00 0.00 N ATOM 567 CA ILE A 36 24.542 -1.908 18.699 1.00 0.00 C ATOM 568 C ILE A 36 24.269 -3.413 18.645 1.00 0.00 C ATOM 569 O ILE A 36 23.272 -3.886 19.197 1.00 0.00 O ATOM 570 CB ILE A 36 23.762 -1.191 17.576 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.000 0.316 17.665 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.273 -1.498 17.661 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.343 1.097 16.555 1.00 0.00 C ATOM 0 H ILE A 36 26.305 -1.446 17.664 1.00 0.00 H new ATOM 0 HA ILE A 36 24.198 -1.547 19.668 1.00 0.00 H new ATOM 0 HB ILE A 36 24.124 -1.557 16.615 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.627 0.678 18.623 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.073 0.508 17.647 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.748 -0.980 16.858 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.117 -2.572 17.563 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.887 -1.162 18.623 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.554 2.159 16.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.733 0.762 15.594 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.265 0.936 16.585 1.00 0.00 H new ATOM 585 N ALA A 37 25.163 -4.165 18.009 1.00 0.00 N ATOM 586 CA ALA A 37 24.981 -5.611 17.864 1.00 0.00 C ATOM 587 C ALA A 37 24.779 -6.303 19.222 1.00 0.00 C ATOM 588 O ALA A 37 23.763 -6.969 19.423 1.00 0.00 O ATOM 589 CB ALA A 37 26.145 -6.234 17.099 1.00 0.00 C ATOM 0 H ALA A 37 26.018 -3.802 17.587 1.00 0.00 H new ATOM 0 HA ALA A 37 24.071 -5.766 17.285 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.985 -7.308 17.005 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.208 -5.788 16.106 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.074 -6.051 17.638 1.00 0.00 H new ATOM 595 N PRO A 38 25.714 -6.151 20.188 1.00 0.00 N ATOM 596 CA PRO A 38 25.556 -6.760 21.513 1.00 0.00 C ATOM 597 C PRO A 38 24.531 -6.013 22.363 1.00 0.00 C ATOM 598 O PRO A 38 24.066 -6.513 23.391 1.00 0.00 O ATOM 599 CB PRO A 38 26.953 -6.645 22.122 1.00 0.00 C ATOM 600 CG PRO A 38 27.551 -5.447 21.472 1.00 0.00 C ATOM 601 CD PRO A 38 26.983 -5.397 20.080 1.00 0.00 C ATOM 0 HA PRO A 38 25.189 -7.785 21.459 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.905 -6.526 23.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.545 -7.539 21.926 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.305 -4.541 22.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.638 -5.520 21.446 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.812 -4.371 19.755 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.658 -5.853 19.356 1.00 0.00 H new ATOM 609 N LYS A 39 24.180 -4.813 21.918 1.00 0.00 N ATOM 610 CA LYS A 39 23.206 -3.981 22.608 1.00 0.00 C ATOM 611 C LYS A 39 21.807 -4.561 22.417 1.00 0.00 C ATOM 612 O LYS A 39 21.064 -4.741 23.378 1.00 0.00 O ATOM 613 CB LYS A 39 23.292 -2.540 22.075 1.00 0.00 C ATOM 614 CG LYS A 39 22.564 -1.497 22.916 1.00 0.00 C ATOM 615 CD LYS A 39 21.065 -1.465 22.644 1.00 0.00 C ATOM 616 CE LYS A 39 20.391 -0.327 23.394 1.00 0.00 C ATOM 617 NZ LYS A 39 18.931 -0.269 23.126 1.00 0.00 N ATOM 0 H LYS A 39 24.562 -4.391 21.071 1.00 0.00 H new ATOM 0 HA LYS A 39 23.422 -3.964 23.676 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.342 -2.258 22.002 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.885 -2.518 21.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 22.733 -1.705 23.972 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.987 -0.513 22.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.890 -1.352 21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.619 -2.414 22.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.558 -0.449 24.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.850 0.619 23.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.679 0.679 22.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.682 -0.977 22.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.409 -0.469 24.003 1.00 0.00 H new ATOM 631 N ILE A 40 21.462 -4.862 21.170 1.00 0.00 N ATOM 632 CA ILE A 40 20.171 -5.463 20.859 1.00 0.00 C ATOM 633 C ILE A 40 20.221 -6.976 21.068 1.00 0.00 C ATOM 634 O ILE A 40 19.267 -7.580 21.562 1.00 0.00 O ATOM 635 CB ILE A 40 19.732 -5.151 19.409 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.555 -3.640 19.226 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.443 -5.891 19.059 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.118 -3.242 17.834 1.00 0.00 C ATOM 0 H ILE A 40 22.058 -4.700 20.359 1.00 0.00 H new ATOM 0 HA ILE A 40 19.437 -5.028 21.538 1.00 0.00 H new ATOM 0 HB ILE A 40 20.511 -5.497 18.730 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.819 -3.280 19.945 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.497 -3.142 19.458 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.155 -5.655 18.035 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.603 -6.965 19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.650 -5.582 19.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.014 -2.158 17.781 1.00 0.00 H new ATOM 0 HD12 ILE A 40 19.864 -3.570 17.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.160 -3.710 17.605 1.00 0.00 H new ATOM 650 N GLY A 41 21.344 -7.579 20.707 1.00 0.00 N ATOM 651 CA GLY A 41 21.502 -9.011 20.867 1.00 0.00 C ATOM 652 C GLY A 41 21.459 -9.747 19.545 1.00 0.00 C ATOM 653 O GLY A 41 20.879 -10.830 19.441 1.00 0.00 O ATOM 0 H GLY A 41 22.151 -7.102 20.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.451 -9.216 21.363 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.714 -9.391 21.517 1.00 0.00 H new ATOM 657 N CYS A 42 22.079 -9.159 18.538 1.00 0.00 N ATOM 658 CA CYS A 42 22.133 -9.752 17.215 1.00 0.00 C ATOM 659 C CYS A 42 23.575 -9.822 16.740 1.00 0.00 C ATOM 660 O CYS A 42 24.433 -9.099 17.250 1.00 0.00 O ATOM 661 CB CYS A 42 21.283 -8.938 16.239 1.00 0.00 C ATOM 662 SG CYS A 42 21.657 -7.170 16.224 1.00 0.00 S ATOM 0 H CYS A 42 22.557 -8.261 18.614 1.00 0.00 H new ATOM 0 HA CYS A 42 21.731 -10.764 17.259 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.423 -9.336 15.234 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.231 -9.073 16.491 1.00 0.00 H new ATOM 0 HG CYS A 42 20.887 -6.571 15.365 1.00 0.00 H new ATOM 668 N THR A 43 23.849 -10.701 15.794 1.00 0.00 N ATOM 669 CA THR A 43 25.183 -10.802 15.237 1.00 0.00 C ATOM 670 C THR A 43 25.454 -9.634 14.291 1.00 0.00 C ATOM 671 O THR A 43 24.611 -9.296 13.451 1.00 0.00 O ATOM 672 CB THR A 43 25.391 -12.142 14.502 1.00 0.00 C ATOM 673 OG1 THR A 43 24.340 -12.359 13.552 1.00 0.00 O ATOM 674 CG2 THR A 43 25.436 -13.300 15.491 1.00 0.00 C ATOM 0 H THR A 43 23.170 -11.351 15.398 1.00 0.00 H new ATOM 0 HA THR A 43 25.891 -10.762 16.065 1.00 0.00 H new ATOM 0 HB THR A 43 26.344 -12.093 13.976 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.394 -13.275 13.208 1.00 0.00 H new ATOM 0 HG21 THR A 43 25.583 -14.235 14.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.260 -13.151 16.189 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.497 -13.344 16.043 1.00 0.00 H new ATOM 682 N PRO A 44 26.623 -8.984 14.436 1.00 0.00 N ATOM 683 CA PRO A 44 27.014 -7.831 13.620 1.00 0.00 C ATOM 684 C PRO A 44 26.890 -8.101 12.125 1.00 0.00 C ATOM 685 O PRO A 44 26.540 -7.209 11.352 1.00 0.00 O ATOM 686 CB PRO A 44 28.486 -7.587 13.998 1.00 0.00 C ATOM 687 CG PRO A 44 28.906 -8.790 14.773 1.00 0.00 C ATOM 688 CD PRO A 44 27.660 -9.315 15.420 1.00 0.00 C ATOM 0 HA PRO A 44 26.367 -6.974 13.810 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.103 -7.459 13.109 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.593 -6.680 14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.353 -9.539 14.120 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.656 -8.531 15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.719 -10.388 15.601 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.472 -8.839 16.382 1.00 0.00 H new ATOM 696 N GLU A 45 27.161 -9.339 11.727 1.00 0.00 N ATOM 697 CA GLU A 45 27.097 -9.726 10.327 1.00 0.00 C ATOM 698 C GLU A 45 25.669 -9.627 9.798 1.00 0.00 C ATOM 699 O GLU A 45 25.446 -9.196 8.665 1.00 0.00 O ATOM 700 CB GLU A 45 27.629 -11.150 10.137 1.00 0.00 C ATOM 701 CG GLU A 45 29.000 -11.375 10.756 1.00 0.00 C ATOM 702 CD GLU A 45 28.928 -11.978 12.149 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.190 -11.451 13.002 1.00 0.00 O ATOM 704 OE2 GLU A 45 29.617 -12.989 12.397 1.00 0.00 O ATOM 0 H GLU A 45 27.428 -10.093 12.359 1.00 0.00 H new ATOM 0 HA GLU A 45 27.724 -9.037 9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 45 26.922 -11.855 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.680 -11.371 9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.581 -12.033 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.532 -10.425 10.804 1.00 0.00 H new ATOM 711 N THR A 46 24.704 -10.019 10.623 1.00 0.00 N ATOM 712 CA THR A 46 23.300 -9.950 10.243 1.00 0.00 C ATOM 713 C THR A 46 22.801 -8.508 10.325 1.00 0.00 C ATOM 714 O THR A 46 21.980 -8.073 9.515 1.00 0.00 O ATOM 715 CB THR A 46 22.434 -10.849 11.149 1.00 0.00 C ATOM 716 OG1 THR A 46 23.034 -12.143 11.265 1.00 0.00 O ATOM 717 CG2 THR A 46 21.028 -10.998 10.586 1.00 0.00 C ATOM 0 H THR A 46 24.870 -10.388 11.559 1.00 0.00 H new ATOM 0 HA THR A 46 23.213 -10.307 9.217 1.00 0.00 H new ATOM 0 HB THR A 46 22.370 -10.379 12.131 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.189 -12.348 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.438 -11.637 11.244 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.558 -10.017 10.516 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.079 -11.447 9.594 1.00 0.00 H new ATOM 725 N LEU A 47 23.314 -7.769 11.304 1.00 0.00 N ATOM 726 CA LEU A 47 22.972 -6.362 11.463 1.00 0.00 C ATOM 727 C LEU A 47 23.436 -5.569 10.244 1.00 0.00 C ATOM 728 O LEU A 47 22.729 -4.686 9.755 1.00 0.00 O ATOM 729 CB LEU A 47 23.605 -5.798 12.740 1.00 0.00 C ATOM 730 CG LEU A 47 23.226 -4.353 13.076 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.727 -4.233 13.312 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.000 -3.872 14.292 1.00 0.00 C ATOM 0 H LEU A 47 23.970 -8.124 12.000 1.00 0.00 H new ATOM 0 HA LEU A 47 21.889 -6.273 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.321 -6.435 13.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.689 -5.859 12.646 1.00 0.00 H new ATOM 0 HG LEU A 47 23.489 -3.721 12.228 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.478 -3.199 13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.192 -4.538 12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.437 -4.876 14.143 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.720 -2.843 14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.767 -4.508 15.146 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.069 -3.919 14.085 1.00 0.00 H new ATOM 744 N ARG A 48 24.622 -5.914 9.746 1.00 0.00 N ATOM 745 CA ARG A 48 25.161 -5.314 8.533 1.00 0.00 C ATOM 746 C ARG A 48 24.188 -5.504 7.370 1.00 0.00 C ATOM 747 O ARG A 48 23.977 -4.596 6.567 1.00 0.00 O ATOM 748 CB ARG A 48 26.511 -5.953 8.184 1.00 0.00 C ATOM 749 CG ARG A 48 27.187 -5.354 6.957 1.00 0.00 C ATOM 750 CD ARG A 48 27.777 -3.985 7.249 1.00 0.00 C ATOM 751 NE ARG A 48 28.383 -3.381 6.062 1.00 0.00 N ATOM 752 CZ ARG A 48 29.613 -3.660 5.628 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.380 -4.512 6.295 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.085 -3.074 4.533 1.00 0.00 N ATOM 0 H ARG A 48 25.231 -6.613 10.171 1.00 0.00 H new ATOM 0 HA ARG A 48 25.303 -4.247 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.180 -5.852 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.363 -7.020 8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.975 -6.024 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.463 -5.272 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 48 26.995 -3.328 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.529 -4.075 8.033 1.00 0.00 H new ATOM 0 HE ARG A 48 27.831 -2.705 5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.030 -4.957 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.320 -4.722 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.506 -2.408 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.026 -3.290 4.204 1.00 0.00 H new ATOM 768 N VAL A 49 23.589 -6.691 7.303 1.00 0.00 N ATOM 769 CA VAL A 49 22.661 -7.026 6.230 1.00 0.00 C ATOM 770 C VAL A 49 21.437 -6.114 6.252 1.00 0.00 C ATOM 771 O VAL A 49 21.095 -5.509 5.239 1.00 0.00 O ATOM 772 CB VAL A 49 22.206 -8.501 6.311 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.207 -8.824 5.209 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.404 -9.432 6.223 1.00 0.00 C ATOM 0 H VAL A 49 23.732 -7.438 7.983 1.00 0.00 H new ATOM 0 HA VAL A 49 23.197 -6.878 5.293 1.00 0.00 H new ATOM 0 HB VAL A 49 21.715 -8.650 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.903 -9.868 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.332 -8.182 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.670 -8.654 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.066 -10.467 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.920 -9.272 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.086 -9.226 7.048 1.00 0.00 H new ATOM 784 N TRP A 50 20.802 -5.992 7.415 1.00 0.00 N ATOM 785 CA TRP A 50 19.587 -5.186 7.547 1.00 0.00 C ATOM 786 C TRP A 50 19.843 -3.732 7.153 1.00 0.00 C ATOM 787 O TRP A 50 18.980 -3.079 6.548 1.00 0.00 O ATOM 788 CB TRP A 50 19.049 -5.248 8.980 1.00 0.00 C ATOM 789 CG TRP A 50 18.619 -6.619 9.401 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.073 -7.587 8.608 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.677 -7.170 10.722 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.799 -8.711 9.352 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.162 -8.477 10.654 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.123 -6.683 11.953 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.078 -9.305 11.774 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.039 -7.502 13.063 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.522 -8.800 12.966 1.00 0.00 C ATOM 0 H TRP A 50 21.107 -6.440 8.280 1.00 0.00 H new ATOM 0 HA TRP A 50 18.841 -5.602 6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.819 -4.892 9.664 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.203 -4.567 9.071 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.884 -7.485 7.550 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.393 -9.576 8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.526 -5.685 12.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.678 -10.306 11.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.378 -7.135 14.021 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.473 -9.416 13.852 1.00 0.00 H new ATOM 808 N VAL A 51 21.022 -3.228 7.498 1.00 0.00 N ATOM 809 CA VAL A 51 21.413 -1.880 7.114 1.00 0.00 C ATOM 810 C VAL A 51 21.541 -1.783 5.595 1.00 0.00 C ATOM 811 O VAL A 51 20.958 -0.900 4.969 1.00 0.00 O ATOM 812 CB VAL A 51 22.748 -1.461 7.774 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.158 -0.062 7.333 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.633 -1.528 9.290 1.00 0.00 C ATOM 0 H VAL A 51 21.722 -3.733 8.042 1.00 0.00 H new ATOM 0 HA VAL A 51 20.635 -1.201 7.463 1.00 0.00 H new ATOM 0 HB VAL A 51 23.521 -2.158 7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 24.099 0.209 7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.282 -0.044 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.386 0.651 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.580 -1.230 9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.844 -0.854 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.392 -2.547 9.592 1.00 0.00 H new ATOM 824 N ARG A 52 22.276 -2.726 5.011 1.00 0.00 N ATOM 825 CA ARG A 52 22.491 -2.759 3.567 1.00 0.00 C ATOM 826 C ARG A 52 21.177 -2.942 2.810 1.00 0.00 C ATOM 827 O ARG A 52 21.028 -2.453 1.694 1.00 0.00 O ATOM 828 CB ARG A 52 23.474 -3.874 3.208 1.00 0.00 C ATOM 829 CG ARG A 52 24.913 -3.551 3.580 1.00 0.00 C ATOM 830 CD ARG A 52 25.535 -2.567 2.599 1.00 0.00 C ATOM 831 NE ARG A 52 25.832 -3.202 1.316 1.00 0.00 N ATOM 832 CZ ARG A 52 25.911 -2.560 0.148 1.00 0.00 C ATOM 833 NH1 ARG A 52 25.683 -1.252 0.073 1.00 0.00 N ATOM 834 NH2 ARG A 52 26.222 -3.238 -0.953 1.00 0.00 N ATOM 0 H ARG A 52 22.735 -3.482 5.519 1.00 0.00 H new ATOM 0 HA ARG A 52 22.914 -1.800 3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.173 -4.791 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.418 -4.067 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 52 24.945 -3.133 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.500 -4.469 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.855 -1.729 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 52 26.452 -2.158 3.024 1.00 0.00 H new ATOM 0 HE ARG A 52 25.991 -4.210 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.444 -0.727 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 52 25.747 -0.774 -0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 52 26.398 -4.241 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 52 26.284 -2.755 -1.849 1.00 0.00 H new ATOM 848 N GLN A 53 20.222 -3.635 3.417 1.00 0.00 N ATOM 849 CA GLN A 53 18.914 -3.821 2.802 1.00 0.00 C ATOM 850 C GLN A 53 18.148 -2.500 2.744 1.00 0.00 C ATOM 851 O GLN A 53 17.443 -2.226 1.776 1.00 0.00 O ATOM 852 CB GLN A 53 18.098 -4.871 3.561 1.00 0.00 C ATOM 853 CG GLN A 53 18.711 -6.262 3.522 1.00 0.00 C ATOM 854 CD GLN A 53 18.779 -6.844 2.121 1.00 0.00 C ATOM 855 OE1 GLN A 53 17.782 -6.552 1.299 1.00 0.00 O flip ATOM 856 NE2 GLN A 53 19.707 -7.585 1.791 1.00 0.00 N flip ATOM 0 H GLN A 53 20.328 -4.076 4.331 1.00 0.00 H new ATOM 0 HA GLN A 53 19.072 -4.176 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.994 -4.558 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.094 -4.913 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.716 -6.221 3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.127 -6.928 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 53 20.458 -7.787 2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.724 -7.996 0.858 1.00 0.00 H new ATOM 865 N HIS A 54 18.301 -1.672 3.769 1.00 0.00 N ATOM 866 CA HIS A 54 17.639 -0.367 3.791 1.00 0.00 C ATOM 867 C HIS A 54 18.446 0.663 3.008 1.00 0.00 C ATOM 868 O HIS A 54 17.978 1.772 2.744 1.00 0.00 O ATOM 869 CB HIS A 54 17.422 0.108 5.232 1.00 0.00 C ATOM 870 CG HIS A 54 16.290 -0.588 5.925 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.427 -1.797 6.577 1.00 0.00 N ATOM 872 CD2 HIS A 54 14.992 -0.230 6.073 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.262 -2.152 7.090 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.375 -1.218 6.801 1.00 0.00 N ATOM 0 H HIS A 54 18.871 -1.874 4.590 1.00 0.00 H new ATOM 0 HA HIS A 54 16.665 -0.476 3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 54 18.338 -0.050 5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.231 1.181 5.228 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.292 -2.332 6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.528 0.667 5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.068 -3.054 7.651 1.00 0.00 H new ATOM 883 N GLU A 55 19.657 0.281 2.636 1.00 0.00 N ATOM 884 CA GLU A 55 20.532 1.147 1.861 1.00 0.00 C ATOM 885 C GLU A 55 20.395 0.856 0.365 1.00 0.00 C ATOM 886 O GLU A 55 20.173 1.759 -0.441 1.00 0.00 O ATOM 887 CB GLU A 55 21.982 0.949 2.318 1.00 0.00 C ATOM 888 CG GLU A 55 22.995 1.831 1.608 1.00 0.00 C ATOM 889 CD GLU A 55 24.395 1.658 2.166 1.00 0.00 C ATOM 890 OE1 GLU A 55 25.063 0.661 1.810 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.826 2.504 2.974 1.00 0.00 O ATOM 0 H GLU A 55 20.059 -0.629 2.860 1.00 0.00 H new ATOM 0 HA GLU A 55 20.243 2.185 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.041 1.141 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.258 -0.094 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.998 1.594 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.695 2.875 1.702 1.00 0.00 H new ATOM 898 N ARG A 56 20.491 -0.419 0.012 1.00 0.00 N ATOM 899 CA ARG A 56 20.517 -0.839 -1.385 1.00 0.00 C ATOM 900 C ARG A 56 19.120 -1.142 -1.938 1.00 0.00 C ATOM 901 O ARG A 56 18.811 -0.795 -3.077 1.00 0.00 O ATOM 902 CB ARG A 56 21.411 -2.072 -1.525 1.00 0.00 C ATOM 903 CG ARG A 56 21.381 -2.700 -2.907 1.00 0.00 C ATOM 904 CD ARG A 56 22.260 -3.936 -2.978 1.00 0.00 C ATOM 905 NE ARG A 56 21.929 -4.915 -1.941 1.00 0.00 N ATOM 906 CZ ARG A 56 20.854 -5.705 -1.973 1.00 0.00 C ATOM 907 NH1 ARG A 56 20.001 -5.641 -2.991 1.00 0.00 N ATOM 908 NH2 ARG A 56 20.635 -6.563 -0.985 1.00 0.00 N ATOM 0 H ARG A 56 20.553 -1.187 0.680 1.00 0.00 H new ATOM 0 HA ARG A 56 20.916 -0.010 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 22.437 -1.794 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 56 21.103 -2.817 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 56 20.356 -2.967 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 56 21.716 -1.972 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 22.153 -4.399 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 56 23.305 -3.642 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 56 22.560 -4.998 -1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.166 -4.985 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.181 -6.248 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 56 21.288 -6.618 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.814 -7.168 -1.007 1.00 0.00 H new ATOM 922 N ASP A 57 18.276 -1.790 -1.146 1.00 0.00 N ATOM 923 CA ASP A 57 16.959 -2.201 -1.635 1.00 0.00 C ATOM 924 C ASP A 57 15.995 -1.020 -1.686 1.00 0.00 C ATOM 925 O ASP A 57 15.169 -0.920 -2.593 1.00 0.00 O ATOM 926 CB ASP A 57 16.377 -3.320 -0.768 1.00 0.00 C ATOM 927 CG ASP A 57 15.017 -3.788 -1.250 1.00 0.00 C ATOM 928 OD1 ASP A 57 14.956 -4.485 -2.287 1.00 0.00 O ATOM 929 OD2 ASP A 57 14.001 -3.463 -0.597 1.00 0.00 O ATOM 0 H ASP A 57 18.471 -2.041 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 57 17.091 -2.580 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.066 -4.165 -0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.292 -2.970 0.261 1.00 0.00 H new ATOM 934 N THR A 58 16.108 -0.126 -0.717 1.00 0.00 N ATOM 935 CA THR A 58 15.237 1.038 -0.656 1.00 0.00 C ATOM 936 C THR A 58 15.598 2.064 -1.735 1.00 0.00 C ATOM 937 O THR A 58 14.716 2.632 -2.378 1.00 0.00 O ATOM 938 CB THR A 58 15.309 1.700 0.734 1.00 0.00 C ATOM 939 OG1 THR A 58 15.039 0.719 1.745 1.00 0.00 O ATOM 940 CG2 THR A 58 14.315 2.848 0.857 1.00 0.00 C ATOM 0 H THR A 58 16.793 -0.183 0.037 1.00 0.00 H new ATOM 0 HA THR A 58 14.219 0.692 -0.836 1.00 0.00 H new ATOM 0 HB THR A 58 16.312 2.107 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.086 1.139 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.393 3.292 1.849 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.537 3.603 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.303 2.471 0.706 1.00 0.00 H new ATOM 948 N GLY A 59 16.891 2.284 -1.938 1.00 0.00 N ATOM 949 CA GLY A 59 17.330 3.258 -2.917 1.00 0.00 C ATOM 950 C GLY A 59 18.784 3.078 -3.291 1.00 0.00 C ATOM 951 O GLY A 59 19.604 3.970 -3.080 1.00 0.00 O ATOM 0 H GLY A 59 17.643 1.805 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.714 3.174 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.181 4.262 -2.520 1.00 0.00 H new ATOM 955 N GLY A 60 19.106 1.912 -3.830 1.00 0.00 N ATOM 956 CA GLY A 60 20.470 1.617 -4.216 1.00 0.00 C ATOM 957 C GLY A 60 20.588 1.273 -5.682 1.00 0.00 C ATOM 958 O GLY A 60 19.941 0.341 -6.165 1.00 0.00 O ATOM 0 H GLY A 60 18.441 1.159 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 60 21.102 2.477 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 60 20.843 0.785 -3.618 1.00 0.00 H new ATOM 962 N ASP A 61 21.414 2.028 -6.389 1.00 0.00 N ATOM 963 CA ASP A 61 21.628 1.815 -7.813 1.00 0.00 C ATOM 964 C ASP A 61 22.467 0.567 -8.040 1.00 0.00 C ATOM 965 O ASP A 61 22.262 -0.169 -9.004 1.00 0.00 O ATOM 966 CB ASP A 61 22.335 3.018 -8.439 1.00 0.00 C ATOM 967 CG ASP A 61 21.557 4.308 -8.300 1.00 0.00 C ATOM 968 OD1 ASP A 61 21.556 4.890 -7.194 1.00 0.00 O ATOM 969 OD2 ASP A 61 20.958 4.757 -9.295 1.00 0.00 O ATOM 0 H ASP A 61 21.952 2.801 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 61 20.654 1.689 -8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 61 23.313 3.139 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 61 22.509 2.819 -9.496 1.00 0.00 H new ATOM 974 N ASP A 62 23.411 0.337 -7.135 1.00 0.00 N ATOM 975 CA ASP A 62 24.319 -0.797 -7.241 1.00 0.00 C ATOM 976 C ASP A 62 23.865 -1.938 -6.335 1.00 0.00 C ATOM 977 O ASP A 62 23.293 -1.705 -5.271 1.00 0.00 O ATOM 978 CB ASP A 62 25.747 -0.372 -6.881 1.00 0.00 C ATOM 979 CG ASP A 62 26.717 -1.532 -6.946 1.00 0.00 C ATOM 980 OD1 ASP A 62 27.095 -1.927 -8.073 1.00 0.00 O ATOM 981 OD2 ASP A 62 27.085 -2.060 -5.879 1.00 0.00 O ATOM 0 H ASP A 62 23.567 0.924 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 62 24.307 -1.150 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 62 26.074 0.413 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.757 0.053 -5.877 1.00 0.00 H new ATOM 986 N GLY A 63 24.107 -3.170 -6.772 1.00 0.00 N ATOM 987 CA GLY A 63 23.723 -4.330 -5.993 1.00 0.00 C ATOM 988 C GLY A 63 24.916 -5.188 -5.616 1.00 0.00 C ATOM 989 O GLY A 63 24.799 -6.409 -5.488 1.00 0.00 O ATOM 0 H GLY A 63 24.565 -3.385 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.211 -4.004 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 63 23.012 -4.929 -6.563 1.00 0.00 H new ATOM 993 N GLY A 64 26.066 -4.549 -5.443 1.00 0.00 N ATOM 994 CA GLY A 64 27.270 -5.264 -5.068 1.00 0.00 C ATOM 995 C GLY A 64 28.159 -5.546 -6.260 1.00 0.00 C ATOM 996 O GLY A 64 27.672 -5.709 -7.382 1.00 0.00 O ATOM 0 H GLY A 64 26.186 -3.542 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.824 -4.680 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.998 -6.204 -4.588 1.00 0.00 H new ATOM 1000 N LEU A 65 29.462 -5.609 -6.025 1.00 0.00 N ATOM 1001 CA LEU A 65 30.414 -5.866 -7.096 1.00 0.00 C ATOM 1002 C LEU A 65 30.504 -7.359 -7.383 1.00 0.00 C ATOM 1003 O LEU A 65 31.359 -8.060 -6.840 1.00 0.00 O ATOM 1004 CB LEU A 65 31.796 -5.310 -6.740 1.00 0.00 C ATOM 1005 CG LEU A 65 31.852 -3.796 -6.529 1.00 0.00 C ATOM 1006 CD1 LEU A 65 33.269 -3.355 -6.200 1.00 0.00 C ATOM 1007 CD2 LEU A 65 31.340 -3.066 -7.762 1.00 0.00 C ATOM 0 H LEU A 65 29.883 -5.486 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 65 30.060 -5.359 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.145 -5.801 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 65 32.493 -5.577 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 65 31.208 -3.543 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 33.289 -2.275 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 33.602 -3.851 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 65 33.933 -3.622 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 65 31.387 -1.990 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 31.958 -3.326 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.308 -3.358 -7.955 1.00 0.00 H new ATOM 1019 N THR A 66 29.598 -7.843 -8.212 1.00 0.00 N ATOM 1020 CA THR A 66 29.564 -9.251 -8.559 1.00 0.00 C ATOM 1021 C THR A 66 30.416 -9.515 -9.800 1.00 0.00 C ATOM 1022 O THR A 66 30.772 -8.590 -10.531 1.00 0.00 O ATOM 1023 CB THR A 66 28.113 -9.736 -8.795 1.00 0.00 C ATOM 1024 OG1 THR A 66 28.083 -11.163 -8.957 1.00 0.00 O ATOM 1025 CG2 THR A 66 27.499 -9.068 -10.019 1.00 0.00 C ATOM 0 H THR A 66 28.874 -7.280 -8.658 1.00 0.00 H new ATOM 0 HA THR A 66 29.976 -9.812 -7.720 1.00 0.00 H new ATOM 0 HB THR A 66 27.525 -9.459 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.646 -11.387 -9.805 1.00 0.00 H new ATOM 0 HG21 THR A 66 26.480 -9.429 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.484 -7.988 -9.875 1.00 0.00 H new ATOM 0 HG23 THR A 66 28.093 -9.308 -10.901 1.00 0.00 H new ATOM 1033 N THR A 67 30.748 -10.775 -10.025 1.00 0.00 N ATOM 1034 CA THR A 67 31.564 -11.157 -11.167 1.00 0.00 C ATOM 1035 C THR A 67 30.953 -12.373 -11.862 1.00 0.00 C ATOM 1036 O THR A 67 31.604 -13.060 -12.654 1.00 0.00 O ATOM 1037 CB THR A 67 33.018 -11.461 -10.743 1.00 0.00 C ATOM 1038 OG1 THR A 67 33.815 -11.788 -11.889 1.00 0.00 O ATOM 1039 CG2 THR A 67 33.069 -12.607 -9.739 1.00 0.00 C ATOM 0 H THR A 67 30.464 -11.554 -9.430 1.00 0.00 H new ATOM 0 HA THR A 67 31.587 -10.318 -11.862 1.00 0.00 H new ATOM 0 HB THR A 67 33.420 -10.566 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 33.288 -12.334 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 67 34.105 -12.799 -9.458 1.00 0.00 H new ATOM 0 HG22 THR A 67 32.496 -12.339 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 67 32.643 -13.504 -10.189 1.00 0.00 H new ATOM 1047 N ALA A 68 29.689 -12.622 -11.561 1.00 0.00 N ATOM 1048 CA ALA A 68 28.964 -13.739 -12.137 1.00 0.00 C ATOM 1049 C ALA A 68 27.487 -13.401 -12.232 1.00 0.00 C ATOM 1050 O ALA A 68 27.022 -12.464 -11.582 1.00 0.00 O ATOM 1051 CB ALA A 68 29.169 -14.997 -11.307 1.00 0.00 C ATOM 0 H ALA A 68 29.140 -12.057 -10.913 1.00 0.00 H new ATOM 0 HA ALA A 68 29.349 -13.927 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 68 28.617 -15.823 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 68 30.230 -15.244 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 28.807 -14.827 -10.293 1.00 0.00 H new ATOM 1057 N GLU A 69 26.760 -14.136 -13.055 1.00 0.00 N ATOM 1058 CA GLU A 69 25.326 -13.946 -13.164 1.00 0.00 C ATOM 1059 C GLU A 69 24.653 -14.526 -11.930 1.00 0.00 C ATOM 1060 O GLU A 69 25.052 -15.587 -11.446 1.00 0.00 O ATOM 1061 CB GLU A 69 24.790 -14.614 -14.433 1.00 0.00 C ATOM 1062 CG GLU A 69 25.550 -14.226 -15.692 1.00 0.00 C ATOM 1063 CD GLU A 69 25.709 -12.726 -15.846 1.00 0.00 C ATOM 1064 OE1 GLU A 69 24.758 -12.063 -16.317 1.00 0.00 O ATOM 1065 OE2 GLU A 69 26.786 -12.198 -15.496 1.00 0.00 O ATOM 0 H GLU A 69 27.139 -14.868 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 69 25.106 -12.880 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 69 24.835 -15.696 -14.311 1.00 0.00 H new ATOM 0 HB3 GLU A 69 23.740 -14.350 -14.557 1.00 0.00 H new ATOM 0 HG2 GLU A 69 26.536 -14.691 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 69 25.027 -14.622 -16.563 1.00 0.00 H new ATOM 1072 N ARG A 70 23.643 -13.837 -11.418 1.00 0.00 N ATOM 1073 CA ARG A 70 22.977 -14.262 -10.189 1.00 0.00 C ATOM 1074 C ARG A 70 22.008 -15.412 -10.458 1.00 0.00 C ATOM 1075 O ARG A 70 20.794 -15.285 -10.295 1.00 0.00 O ATOM 1076 CB ARG A 70 22.281 -13.084 -9.465 1.00 0.00 C ATOM 1077 CG ARG A 70 21.277 -12.276 -10.290 1.00 0.00 C ATOM 1078 CD ARG A 70 21.959 -11.398 -11.329 1.00 0.00 C ATOM 1079 NE ARG A 70 21.168 -10.218 -11.672 1.00 0.00 N ATOM 1080 CZ ARG A 70 20.274 -10.163 -12.660 1.00 0.00 C ATOM 1081 NH1 ARG A 70 19.985 -11.243 -13.377 1.00 0.00 N ATOM 1082 NH2 ARG A 70 19.660 -9.022 -12.931 1.00 0.00 N ATOM 0 H ARG A 70 23.266 -12.984 -11.831 1.00 0.00 H new ATOM 0 HA ARG A 70 23.749 -14.630 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 70 21.765 -13.478 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 70 23.051 -12.403 -9.102 1.00 0.00 H new ATOM 0 HG2 ARG A 70 20.588 -12.957 -10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 70 20.682 -11.652 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 70 22.931 -11.082 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 70 22.142 -11.983 -12.230 1.00 0.00 H new ATOM 0 HE ARG A 70 21.310 -9.375 -11.115 1.00 0.00 H new ATOM 0 HH11 ARG A 70 20.449 -12.129 -13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.299 -11.187 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.871 -8.187 -12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.976 -8.978 -13.686 1.00 0.00 H new ATOM 1096 N GLN A 71 22.580 -16.530 -10.896 1.00 0.00 N ATOM 1097 CA GLN A 71 21.849 -17.766 -11.142 1.00 0.00 C ATOM 1098 C GLN A 71 22.839 -18.861 -11.530 1.00 0.00 C ATOM 1099 O GLN A 71 23.164 -19.028 -12.706 1.00 0.00 O ATOM 1100 CB GLN A 71 20.807 -17.590 -12.255 1.00 0.00 C ATOM 1101 CG GLN A 71 19.958 -18.831 -12.493 1.00 0.00 C ATOM 1102 CD GLN A 71 19.044 -18.701 -13.697 1.00 0.00 C ATOM 1103 OE1 GLN A 71 18.593 -17.488 -13.983 1.00 0.00 O flip ATOM 1104 NE2 GLN A 71 18.738 -19.691 -14.360 1.00 0.00 N flip ATOM 0 H GLN A 71 23.578 -16.602 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 71 21.319 -18.042 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.153 -16.755 -12.001 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.317 -17.325 -13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 71 20.613 -19.691 -12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.356 -19.028 -11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.106 -20.608 -14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.116 -19.595 -15.163 1.00 0.00 H new ATOM 1113 N ARG A 72 23.356 -19.570 -10.540 1.00 0.00 N ATOM 1114 CA ARG A 72 24.310 -20.637 -10.795 1.00 0.00 C ATOM 1115 C ARG A 72 23.610 -21.862 -11.371 1.00 0.00 C ATOM 1116 O ARG A 72 22.932 -22.602 -10.654 1.00 0.00 O ATOM 1117 CB ARG A 72 25.064 -21.004 -9.517 1.00 0.00 C ATOM 1118 CG ARG A 72 26.000 -22.193 -9.680 1.00 0.00 C ATOM 1119 CD ARG A 72 26.776 -22.473 -8.405 1.00 0.00 C ATOM 1120 NE ARG A 72 27.787 -21.451 -8.141 1.00 0.00 N ATOM 1121 CZ ARG A 72 27.958 -20.867 -6.959 1.00 0.00 C ATOM 1122 NH1 ARG A 72 27.136 -21.141 -5.955 1.00 0.00 N ATOM 1123 NH2 ARG A 72 28.941 -19.997 -6.781 1.00 0.00 N ATOM 0 H ARG A 72 23.132 -19.427 -9.555 1.00 0.00 H new ATOM 0 HA ARG A 72 25.031 -20.278 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.641 -20.141 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.342 -21.226 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.423 -23.076 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.697 -21.999 -10.495 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.084 -22.524 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.258 -23.448 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 72 28.397 -21.169 -8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.370 -21.801 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.270 -20.691 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.570 -19.773 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.069 -19.551 -5.873 1.00 0.00 H new ATOM 1137 N LEU A 73 23.779 -22.067 -12.669 1.00 0.00 N ATOM 1138 CA LEU A 73 23.166 -23.194 -13.349 1.00 0.00 C ATOM 1139 C LEU A 73 24.145 -24.364 -13.415 1.00 0.00 C ATOM 1140 O LEU A 73 23.750 -25.512 -13.623 1.00 0.00 O ATOM 1141 CB LEU A 73 22.719 -22.781 -14.755 1.00 0.00 C ATOM 1142 CG LEU A 73 21.910 -23.831 -15.523 1.00 0.00 C ATOM 1143 CD1 LEU A 73 20.632 -24.181 -14.773 1.00 0.00 C ATOM 1144 CD2 LEU A 73 21.591 -23.330 -16.922 1.00 0.00 C ATOM 0 H LEU A 73 24.338 -21.464 -13.273 1.00 0.00 H new ATOM 0 HA LEU A 73 22.287 -23.512 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.121 -21.873 -14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.604 -22.530 -15.340 1.00 0.00 H new ATOM 0 HG LEU A 73 22.511 -24.736 -15.608 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.073 -24.928 -15.336 1.00 0.00 H new ATOM 0 HD12 LEU A 73 20.884 -24.581 -13.791 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.023 -23.285 -14.655 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.016 -24.086 -17.457 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.009 -22.411 -16.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.519 -23.133 -17.459 1.00 0.00 H new ATOM 1156 N LYS A 74 25.428 -24.067 -13.229 1.00 0.00 N ATOM 1157 CA LYS A 74 26.451 -25.103 -13.216 1.00 0.00 C ATOM 1158 C LYS A 74 26.377 -25.897 -11.916 1.00 0.00 C ATOM 1159 O LYS A 74 27.064 -25.594 -10.937 1.00 0.00 O ATOM 1160 CB LYS A 74 27.852 -24.498 -13.421 1.00 0.00 C ATOM 1161 CG LYS A 74 28.965 -25.533 -13.567 1.00 0.00 C ATOM 1162 CD LYS A 74 29.794 -25.650 -12.296 1.00 0.00 C ATOM 1163 CE LYS A 74 30.766 -26.820 -12.346 1.00 0.00 C ATOM 1164 NZ LYS A 74 31.719 -26.715 -13.479 1.00 0.00 N ATOM 0 H LYS A 74 25.781 -23.121 -13.086 1.00 0.00 H new ATOM 0 HA LYS A 74 26.266 -25.785 -14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 27.837 -23.869 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 74 28.083 -23.849 -12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 74 28.531 -26.503 -13.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 29.612 -25.257 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 74 30.350 -24.725 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 74 29.129 -25.769 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 74 31.322 -26.867 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 74 30.206 -27.751 -12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 32.413 -27.488 -13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 31.199 -26.782 -14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 32.214 -25.801 -13.433 1.00 0.00 H new ATOM 1178 N GLU A 75 25.493 -26.878 -11.907 1.00 0.00 N ATOM 1179 CA GLU A 75 25.330 -27.781 -10.785 1.00 0.00 C ATOM 1180 C GLU A 75 24.656 -29.052 -11.294 1.00 0.00 C ATOM 1181 O GLU A 75 23.433 -29.193 -11.222 1.00 0.00 O ATOM 1182 CB GLU A 75 24.490 -27.124 -9.682 1.00 0.00 C ATOM 1183 CG GLU A 75 24.454 -27.914 -8.384 1.00 0.00 C ATOM 1184 CD GLU A 75 25.813 -28.012 -7.725 1.00 0.00 C ATOM 1185 OE1 GLU A 75 26.159 -27.115 -6.927 1.00 0.00 O ATOM 1186 OE2 GLU A 75 26.540 -28.989 -7.991 1.00 0.00 O ATOM 0 H GLU A 75 24.863 -27.071 -12.686 1.00 0.00 H new ATOM 0 HA GLU A 75 26.302 -28.023 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.887 -26.129 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.471 -26.993 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.753 -27.442 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.078 -28.917 -8.584 1.00 0.00 H new ATOM 1193 N PRO A 76 25.449 -29.973 -11.862 1.00 0.00 N ATOM 1194 CA PRO A 76 24.941 -31.151 -12.563 1.00 0.00 C ATOM 1195 C PRO A 76 24.650 -32.322 -11.630 1.00 0.00 C ATOM 1196 O PRO A 76 24.429 -33.446 -12.077 1.00 0.00 O ATOM 1197 CB PRO A 76 26.082 -31.505 -13.530 1.00 0.00 C ATOM 1198 CG PRO A 76 27.226 -30.591 -13.197 1.00 0.00 C ATOM 1199 CD PRO A 76 26.908 -29.951 -11.876 1.00 0.00 C ATOM 0 HA PRO A 76 23.989 -30.947 -13.052 1.00 0.00 H new ATOM 0 HB2 PRO A 76 26.375 -32.549 -13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 76 25.768 -31.371 -14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 76 28.161 -31.149 -13.140 1.00 0.00 H new ATOM 0 HG3 PRO A 76 27.353 -29.834 -13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 76 27.331 -30.510 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 76 27.300 -28.936 -11.811 1.00 0.00 H new ATOM 1207 N GLU A 77 24.643 -32.051 -10.338 1.00 0.00 N ATOM 1208 CA GLU A 77 24.376 -33.073 -9.346 1.00 0.00 C ATOM 1209 C GLU A 77 23.653 -32.466 -8.154 1.00 0.00 C ATOM 1210 O GLU A 77 23.803 -31.277 -7.869 1.00 0.00 O ATOM 1211 CB GLU A 77 25.681 -33.746 -8.913 1.00 0.00 C ATOM 1212 CG GLU A 77 26.753 -32.773 -8.451 1.00 0.00 C ATOM 1213 CD GLU A 77 28.089 -33.448 -8.241 1.00 0.00 C ATOM 1214 OE1 GLU A 77 28.348 -33.932 -7.119 1.00 0.00 O ATOM 1215 OE2 GLU A 77 28.890 -33.498 -9.197 1.00 0.00 O ATOM 0 H GLU A 77 24.821 -31.124 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 77 23.732 -33.836 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 77 25.467 -34.445 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 77 26.070 -34.331 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 77 26.862 -31.979 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 77 26.436 -32.302 -7.520 1.00 0.00 H new ATOM 1222 N ARG A 78 22.857 -33.277 -7.471 1.00 0.00 N ATOM 1223 CA ARG A 78 22.052 -32.795 -6.352 1.00 0.00 C ATOM 1224 C ARG A 78 21.793 -33.902 -5.338 1.00 0.00 C ATOM 1225 O ARG A 78 21.174 -33.674 -4.298 1.00 0.00 O ATOM 1226 CB ARG A 78 20.715 -32.223 -6.852 1.00 0.00 C ATOM 1227 CG ARG A 78 19.752 -33.257 -7.440 1.00 0.00 C ATOM 1228 CD ARG A 78 20.210 -33.781 -8.795 1.00 0.00 C ATOM 1229 NE ARG A 78 20.386 -32.703 -9.767 1.00 0.00 N ATOM 1230 CZ ARG A 78 20.410 -32.879 -11.085 1.00 0.00 C ATOM 1231 NH1 ARG A 78 20.265 -34.091 -11.610 1.00 0.00 N ATOM 1232 NH2 ARG A 78 20.580 -31.831 -11.879 1.00 0.00 N ATOM 0 H ARG A 78 22.750 -34.272 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 78 22.617 -32.003 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.220 -31.717 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.921 -31.467 -7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.654 -34.092 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 78 18.763 -32.810 -7.543 1.00 0.00 H new ATOM 0 HD2 ARG A 78 21.150 -34.320 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 78 19.479 -34.495 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 78 20.498 -31.754 -9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 78 20.134 -34.898 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 78 20.285 -34.214 -12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 78 20.691 -30.900 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.600 -31.956 -12.891 1.00 0.00 H new ATOM 1246 N GLU A 79 22.277 -35.096 -5.638 1.00 0.00 N ATOM 1247 CA GLU A 79 22.021 -36.253 -4.797 1.00 0.00 C ATOM 1248 C GLU A 79 23.284 -36.678 -4.052 1.00 0.00 C ATOM 1249 O GLU A 79 23.293 -37.683 -3.347 1.00 0.00 O ATOM 1250 CB GLU A 79 21.506 -37.405 -5.655 1.00 0.00 C ATOM 1251 CG GLU A 79 20.240 -37.070 -6.428 1.00 0.00 C ATOM 1252 CD GLU A 79 19.039 -36.873 -5.528 1.00 0.00 C ATOM 1253 OE1 GLU A 79 18.351 -37.873 -5.234 1.00 0.00 O ATOM 1254 OE2 GLU A 79 18.771 -35.723 -5.113 1.00 0.00 O ATOM 0 H GLU A 79 22.850 -35.289 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 79 21.267 -35.984 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.285 -37.699 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 79 21.314 -38.266 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.404 -36.164 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.030 -37.871 -7.137 1.00 0.00 H new ATOM 1261 N ASN A 80 24.341 -35.891 -4.194 1.00 0.00 N ATOM 1262 CA ASN A 80 25.626 -36.224 -3.585 1.00 0.00 C ATOM 1263 C ASN A 80 25.830 -35.436 -2.299 1.00 0.00 C ATOM 1264 O ASN A 80 26.955 -35.090 -1.937 1.00 0.00 O ATOM 1265 CB ASN A 80 26.780 -35.947 -4.560 1.00 0.00 C ATOM 1266 CG ASN A 80 26.858 -36.962 -5.685 1.00 0.00 C ATOM 1267 OD1 ASN A 80 26.456 -38.115 -5.527 1.00 0.00 O ATOM 1268 ND2 ASN A 80 27.389 -36.551 -6.828 1.00 0.00 N ATOM 0 H ASN A 80 24.337 -35.019 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 80 25.620 -37.288 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 80 26.659 -34.950 -4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 80 27.721 -35.948 -4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 80 27.475 -37.198 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 80 27.712 -35.588 -6.923 1.00 0.00 H new ATOM 1275 N ARG A 81 24.736 -35.166 -1.600 1.00 0.00 N ATOM 1276 CA ARG A 81 24.798 -34.441 -0.338 1.00 0.00 C ATOM 1277 C ARG A 81 25.186 -35.398 0.785 1.00 0.00 C ATOM 1278 O ARG A 81 24.337 -35.813 1.578 1.00 0.00 O ATOM 1279 CB ARG A 81 23.446 -33.794 -0.009 1.00 0.00 C ATOM 1280 CG ARG A 81 22.724 -33.189 -1.204 1.00 0.00 C ATOM 1281 CD ARG A 81 21.390 -32.589 -0.785 1.00 0.00 C ATOM 1282 NE ARG A 81 20.493 -32.364 -1.921 1.00 0.00 N ATOM 1283 CZ ARG A 81 19.491 -31.481 -1.915 1.00 0.00 C ATOM 1284 NH1 ARG A 81 19.308 -30.687 -0.872 1.00 0.00 N ATOM 1285 NH2 ARG A 81 18.671 -31.390 -2.955 1.00 0.00 N ATOM 0 H ARG A 81 23.795 -35.438 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 81 25.547 -33.654 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.800 -34.545 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 81 23.603 -33.014 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 81 23.347 -32.419 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 81 22.561 -33.955 -1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 81 20.905 -33.254 -0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 81 21.566 -31.643 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 81 20.643 -32.914 -2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.934 -30.748 -0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.541 -30.014 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.804 -31.996 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.907 -30.714 -2.945 1.00 0.00 H new ATOM 1299 N GLU A 82 26.459 -35.769 0.834 1.00 0.00 N ATOM 1300 CA GLU A 82 26.920 -36.764 1.792 1.00 0.00 C ATOM 1301 C GLU A 82 27.061 -36.177 3.196 1.00 0.00 C ATOM 1302 O GLU A 82 28.128 -35.715 3.603 1.00 0.00 O ATOM 1303 CB GLU A 82 28.224 -37.420 1.314 1.00 0.00 C ATOM 1304 CG GLU A 82 29.319 -36.443 0.915 1.00 0.00 C ATOM 1305 CD GLU A 82 30.503 -37.138 0.270 1.00 0.00 C ATOM 1306 OE1 GLU A 82 31.246 -37.849 0.984 1.00 0.00 O ATOM 1307 OE2 GLU A 82 30.697 -36.986 -0.956 1.00 0.00 O ATOM 0 H GLU A 82 27.187 -35.397 0.224 1.00 0.00 H new ATOM 0 HA GLU A 82 26.160 -37.543 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.603 -38.064 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.001 -38.062 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.911 -35.707 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.656 -35.899 1.797 1.00 0.00 H new ATOM 1314 N LEU A 83 25.943 -36.165 3.905 1.00 0.00 N ATOM 1315 CA LEU A 83 25.895 -35.758 5.301 1.00 0.00 C ATOM 1316 C LEU A 83 25.092 -36.789 6.081 1.00 0.00 C ATOM 1317 O LEU A 83 25.602 -37.432 7.002 1.00 0.00 O ATOM 1318 CB LEU A 83 25.260 -34.372 5.438 1.00 0.00 C ATOM 1319 CG LEU A 83 26.070 -33.219 4.842 1.00 0.00 C ATOM 1320 CD1 LEU A 83 25.268 -31.930 4.867 1.00 0.00 C ATOM 1321 CD2 LEU A 83 27.368 -33.045 5.611 1.00 0.00 C ATOM 0 H LEU A 83 25.037 -36.439 3.525 1.00 0.00 H new ATOM 0 HA LEU A 83 26.908 -35.700 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.280 -34.391 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.095 -34.169 6.496 1.00 0.00 H new ATOM 0 HG LEU A 83 26.301 -33.458 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.863 -31.123 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.356 -32.058 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.009 -31.683 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 83 27.939 -32.222 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 83 27.146 -32.825 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.953 -33.963 5.550 1.00 0.00 H new ATOM 1333 N ARG A 84 23.827 -36.945 5.704 1.00 0.00 N ATOM 1334 CA ARG A 84 23.006 -38.036 6.209 1.00 0.00 C ATOM 1335 C ARG A 84 23.089 -39.217 5.243 1.00 0.00 C ATOM 1336 O ARG A 84 22.457 -39.221 4.184 1.00 0.00 O ATOM 1337 CB ARG A 84 21.548 -37.593 6.403 1.00 0.00 C ATOM 1338 CG ARG A 84 20.947 -36.912 5.185 1.00 0.00 C ATOM 1339 CD ARG A 84 19.453 -36.670 5.345 1.00 0.00 C ATOM 1340 NE ARG A 84 19.134 -35.909 6.552 1.00 0.00 N ATOM 1341 CZ ARG A 84 19.262 -34.589 6.666 1.00 0.00 C ATOM 1342 NH1 ARG A 84 19.808 -33.874 5.687 1.00 0.00 N ATOM 1343 NH2 ARG A 84 18.860 -33.992 7.778 1.00 0.00 N ATOM 0 H ARG A 84 23.349 -36.327 5.049 1.00 0.00 H new ATOM 0 HA ARG A 84 23.385 -38.339 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 84 20.944 -38.464 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 84 21.495 -36.911 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 84 21.452 -35.961 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 84 21.122 -37.527 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.080 -36.134 4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.934 -37.628 5.376 1.00 0.00 H new ATOM 0 HE ARG A 84 18.790 -36.425 7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.134 -34.336 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.901 -32.863 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.457 -34.543 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.953 -32.981 7.876 1.00 0.00 H new ATOM 1357 N ARG A 85 23.893 -40.203 5.594 1.00 0.00 N ATOM 1358 CA ARG A 85 24.130 -41.334 4.710 1.00 0.00 C ATOM 1359 C ARG A 85 22.906 -42.236 4.641 1.00 0.00 C ATOM 1360 O ARG A 85 22.296 -42.559 5.661 1.00 0.00 O ATOM 1361 CB ARG A 85 25.360 -42.121 5.165 1.00 0.00 C ATOM 1362 CG ARG A 85 25.235 -42.730 6.552 1.00 0.00 C ATOM 1363 CD ARG A 85 26.534 -43.369 6.995 1.00 0.00 C ATOM 1364 NE ARG A 85 26.393 -44.065 8.269 1.00 0.00 N ATOM 1365 CZ ARG A 85 27.213 -43.903 9.301 1.00 0.00 C ATOM 1366 NH1 ARG A 85 28.169 -42.983 9.249 1.00 0.00 N ATOM 1367 NH2 ARG A 85 27.056 -44.635 10.395 1.00 0.00 N ATOM 0 H ARG A 85 24.393 -40.246 6.482 1.00 0.00 H new ATOM 0 HA ARG A 85 24.320 -40.950 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 85 25.553 -42.918 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 85 26.227 -41.460 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 85 24.946 -41.958 7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 85 24.442 -43.477 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 85 26.871 -44.072 6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 85 27.304 -42.602 7.084 1.00 0.00 H new ATOM 0 HE ARG A 85 25.616 -44.717 8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 85 28.273 -42.402 8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 85 28.800 -42.857 10.041 1.00 0.00 H new ATOM 0 HH21 ARG A 85 26.305 -45.323 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 85 27.686 -44.510 11.187 1.00 0.00 H new ATOM 1381 N SER A 86 22.537 -42.614 3.428 1.00 0.00 N ATOM 1382 CA SER A 86 21.414 -43.507 3.209 1.00 0.00 C ATOM 1383 C SER A 86 21.922 -44.839 2.663 1.00 0.00 C ATOM 1384 O SER A 86 21.174 -45.628 2.084 1.00 0.00 O ATOM 1385 CB SER A 86 20.439 -42.862 2.226 1.00 0.00 C ATOM 1386 OG SER A 86 20.177 -41.516 2.591 1.00 0.00 O ATOM 0 H SER A 86 23.005 -42.312 2.573 1.00 0.00 H new ATOM 0 HA SER A 86 20.896 -43.690 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.854 -42.897 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.507 -43.427 2.207 1.00 0.00 H new ATOM 0 HG SER A 86 19.552 -41.119 1.949 1.00 0.00 H new ATOM 1392 N ASN A 87 23.211 -45.077 2.865 1.00 0.00 N ATOM 1393 CA ASN A 87 23.874 -46.263 2.339 1.00 0.00 C ATOM 1394 C ASN A 87 23.718 -47.437 3.295 1.00 0.00 C ATOM 1395 O ASN A 87 23.953 -48.587 2.928 1.00 0.00 O ATOM 1396 CB ASN A 87 25.364 -45.980 2.117 1.00 0.00 C ATOM 1397 CG ASN A 87 25.615 -44.862 1.119 1.00 0.00 C ATOM 1398 OD1 ASN A 87 24.869 -44.694 0.155 1.00 0.00 O ATOM 1399 ND2 ASN A 87 26.665 -44.081 1.351 1.00 0.00 N ATOM 0 H ASN A 87 23.824 -44.457 3.395 1.00 0.00 H new ATOM 0 HA ASN A 87 23.407 -46.519 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.824 -45.719 3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.852 -46.889 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 87 26.876 -43.309 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 87 27.260 -44.253 2.162 1.00 0.00 H new ATOM 1406 N ASP A 88 23.322 -47.141 4.525 1.00 0.00 N ATOM 1407 CA ASP A 88 23.197 -48.165 5.554 1.00 0.00 C ATOM 1408 C ASP A 88 21.761 -48.292 6.056 1.00 0.00 C ATOM 1409 O ASP A 88 21.266 -49.404 6.251 1.00 0.00 O ATOM 1410 CB ASP A 88 24.154 -47.886 6.722 1.00 0.00 C ATOM 1411 CG ASP A 88 24.055 -46.476 7.287 1.00 0.00 C ATOM 1412 OD1 ASP A 88 23.279 -45.654 6.755 1.00 0.00 O ATOM 1413 OD2 ASP A 88 24.780 -46.185 8.262 1.00 0.00 O ATOM 0 H ASP A 88 23.081 -46.200 4.835 1.00 0.00 H new ATOM 0 HA ASP A 88 23.472 -49.116 5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 88 23.953 -48.600 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 88 25.177 -48.061 6.389 1.00 0.00 H new ATOM 1418 N ILE A 89 21.097 -47.164 6.272 1.00 0.00 N ATOM 1419 CA ILE A 89 19.710 -47.174 6.716 1.00 0.00 C ATOM 1420 C ILE A 89 18.768 -47.608 5.590 1.00 0.00 C ATOM 1421 O ILE A 89 18.354 -46.803 4.753 1.00 0.00 O ATOM 1422 CB ILE A 89 19.271 -45.802 7.284 1.00 0.00 C ATOM 1423 CG1 ILE A 89 19.666 -44.660 6.337 1.00 0.00 C ATOM 1424 CG2 ILE A 89 19.873 -45.593 8.668 1.00 0.00 C ATOM 1425 CD1 ILE A 89 19.158 -43.301 6.776 1.00 0.00 C ATOM 0 H ILE A 89 21.495 -46.233 6.147 1.00 0.00 H new ATOM 0 HA ILE A 89 19.646 -47.904 7.523 1.00 0.00 H new ATOM 0 HB ILE A 89 18.185 -45.796 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 89 20.753 -44.624 6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 89 19.282 -44.877 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 89 19.559 -44.625 9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 89 19.531 -46.383 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 89 20.961 -45.621 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 89 19.476 -42.545 6.059 1.00 0.00 H new ATOM 0 HD12 ILE A 89 18.069 -43.318 6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 89 19.563 -43.061 7.759 1.00 0.00 H new ATOM 1437 N LEU A 90 18.459 -48.905 5.581 1.00 0.00 N ATOM 1438 CA LEU A 90 17.565 -49.507 4.591 1.00 0.00 C ATOM 1439 C LEU A 90 18.140 -49.393 3.182 1.00 0.00 C ATOM 1440 O LEU A 90 17.711 -48.558 2.388 1.00 0.00 O ATOM 1441 CB LEU A 90 16.157 -48.890 4.637 1.00 0.00 C ATOM 1442 CG LEU A 90 15.238 -49.390 5.761 1.00 0.00 C ATOM 1443 CD1 LEU A 90 15.756 -48.966 7.128 1.00 0.00 C ATOM 1444 CD2 LEU A 90 13.821 -48.878 5.550 1.00 0.00 C ATOM 0 H LEU A 90 18.823 -49.570 6.263 1.00 0.00 H new ATOM 0 HA LEU A 90 17.479 -50.563 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.259 -47.809 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.667 -49.081 3.682 1.00 0.00 H new ATOM 0 HG LEU A 90 15.229 -50.480 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.084 -49.335 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.752 -49.381 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.804 -47.878 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.180 -49.240 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 90 13.824 -47.788 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.442 -49.239 4.594 1.00 0.00 H new ATOM 1456 N ARG A 91 19.124 -50.226 2.886 1.00 0.00 N ATOM 1457 CA ARG A 91 19.722 -50.254 1.562 1.00 0.00 C ATOM 1458 C ARG A 91 19.279 -51.507 0.823 1.00 0.00 C ATOM 1459 O ARG A 91 19.208 -52.587 1.412 1.00 0.00 O ATOM 1460 CB ARG A 91 21.247 -50.231 1.656 1.00 0.00 C ATOM 1461 CG ARG A 91 21.937 -50.095 0.305 1.00 0.00 C ATOM 1462 CD ARG A 91 23.435 -50.326 0.409 1.00 0.00 C ATOM 1463 NE ARG A 91 23.758 -51.729 0.667 1.00 0.00 N ATOM 1464 CZ ARG A 91 24.223 -52.194 1.825 1.00 0.00 C ATOM 1465 NH1 ARG A 91 24.421 -51.370 2.850 1.00 0.00 N ATOM 1466 NH2 ARG A 91 24.494 -53.488 1.956 1.00 0.00 N ATOM 0 H ARG A 91 19.526 -50.892 3.546 1.00 0.00 H new ATOM 0 HA ARG A 91 19.392 -49.370 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.551 -49.402 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.587 -51.147 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.507 -50.810 -0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 91 21.750 -49.100 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 91 23.916 -50.008 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.842 -49.708 1.209 1.00 0.00 H new ATOM 0 HE ARG A 91 23.618 -52.396 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.216 -50.376 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.777 -51.733 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 91 24.346 -54.122 1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.850 -53.847 2.842 1.00 0.00 H new ATOM 1480 N LEU A 92 18.968 -51.357 -0.455 1.00 0.00 N ATOM 1481 CA LEU A 92 18.602 -52.490 -1.288 1.00 0.00 C ATOM 1482 C LEU A 92 19.823 -53.367 -1.537 1.00 0.00 C ATOM 1483 O LEU A 92 20.945 -52.870 -1.640 1.00 0.00 O ATOM 1484 CB LEU A 92 18.017 -52.023 -2.630 1.00 0.00 C ATOM 1485 CG LEU A 92 16.595 -51.454 -2.588 1.00 0.00 C ATOM 1486 CD1 LEU A 92 16.548 -50.137 -1.831 1.00 0.00 C ATOM 1487 CD2 LEU A 92 16.061 -51.274 -4.000 1.00 0.00 C ATOM 0 H LEU A 92 18.962 -50.459 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 92 17.840 -53.066 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 92 18.678 -51.262 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.028 -52.866 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 92 15.962 -52.165 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.525 -49.760 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.888 -50.293 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.197 -49.412 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.050 -50.869 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.705 -50.586 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.045 -52.238 -4.509 1.00 0.00 H new ATOM 1499 N ALA A 93 19.602 -54.667 -1.621 1.00 0.00 N ATOM 1500 CA ALA A 93 20.684 -55.606 -1.846 1.00 0.00 C ATOM 1501 C ALA A 93 21.111 -55.598 -3.307 1.00 0.00 C ATOM 1502 O ALA A 93 20.512 -56.274 -4.147 1.00 0.00 O ATOM 1503 CB ALA A 93 20.273 -57.006 -1.414 1.00 0.00 C ATOM 0 H ALA A 93 18.681 -55.096 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 93 21.537 -55.296 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.097 -57.698 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.024 -57.001 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.403 -57.324 -1.989 1.00 0.00 H new ATOM 1509 N SER A 94 22.122 -54.803 -3.616 1.00 0.00 N ATOM 1510 CA SER A 94 22.657 -54.752 -4.961 1.00 0.00 C ATOM 1511 C SER A 94 23.720 -55.832 -5.150 1.00 0.00 C ATOM 1512 O SER A 94 24.903 -55.627 -4.857 1.00 0.00 O ATOM 1513 CB SER A 94 23.221 -53.355 -5.251 1.00 0.00 C ATOM 1514 OG SER A 94 24.000 -52.874 -4.164 1.00 0.00 O ATOM 0 H SER A 94 22.587 -54.185 -2.951 1.00 0.00 H new ATOM 0 HA SER A 94 21.855 -54.946 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.833 -53.388 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 94 22.401 -52.664 -5.447 1.00 0.00 H new ATOM 0 HG SER A 94 24.648 -53.559 -3.897 1.00 0.00 H new ATOM 1520 N ALA A 95 23.285 -56.997 -5.614 1.00 0.00 N ATOM 1521 CA ALA A 95 24.175 -58.131 -5.800 1.00 0.00 C ATOM 1522 C ALA A 95 23.870 -58.841 -7.112 1.00 0.00 C ATOM 1523 O ALA A 95 23.306 -59.938 -7.127 1.00 0.00 O ATOM 1524 CB ALA A 95 24.064 -59.093 -4.627 1.00 0.00 C ATOM 0 H ALA A 95 22.314 -57.179 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 95 25.200 -57.762 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 95 24.737 -59.936 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 95 24.336 -58.577 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 95 23.039 -59.456 -4.550 1.00 0.00 H new ATOM 1530 N TYR A 96 24.221 -58.183 -8.208 1.00 0.00 N ATOM 1531 CA TYR A 96 24.053 -58.741 -9.543 1.00 0.00 C ATOM 1532 C TYR A 96 24.797 -57.876 -10.550 1.00 0.00 C ATOM 1533 O TYR A 96 25.740 -58.335 -11.201 1.00 0.00 O ATOM 1534 CB TYR A 96 22.563 -58.827 -9.919 1.00 0.00 C ATOM 1535 CG TYR A 96 22.291 -59.613 -11.186 1.00 0.00 C ATOM 1536 CD1 TYR A 96 22.462 -59.036 -12.439 1.00 0.00 C ATOM 1537 CD2 TYR A 96 21.864 -60.933 -11.126 1.00 0.00 C ATOM 1538 CE1 TYR A 96 22.220 -59.752 -13.595 1.00 0.00 C ATOM 1539 CE2 TYR A 96 21.618 -61.655 -12.278 1.00 0.00 C ATOM 1540 CZ TYR A 96 21.798 -61.061 -13.509 1.00 0.00 C ATOM 1541 OH TYR A 96 21.557 -61.780 -14.660 1.00 0.00 O ATOM 0 H TYR A 96 24.630 -57.249 -8.197 1.00 0.00 H new ATOM 0 HA TYR A 96 24.463 -59.751 -9.555 1.00 0.00 H new ATOM 0 HB2 TYR A 96 22.017 -59.286 -9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 96 22.170 -57.817 -10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 96 22.790 -58.009 -12.510 1.00 0.00 H new ATOM 0 HD2 TYR A 96 21.722 -61.403 -10.164 1.00 0.00 H new ATOM 0 HE1 TYR A 96 22.361 -59.289 -14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 96 21.286 -62.681 -12.214 1.00 0.00 H new ATOM 0 HH TYR A 96 21.267 -62.686 -14.425 1.00 0.00 H new ATOM 1551 N PHE A 97 24.378 -56.614 -10.639 1.00 0.00 N ATOM 1552 CA PHE A 97 24.943 -55.651 -11.583 1.00 0.00 C ATOM 1553 C PHE A 97 24.845 -56.179 -13.008 1.00 0.00 C ATOM 1554 O PHE A 97 25.797 -56.755 -13.542 1.00 0.00 O ATOM 1555 CB PHE A 97 26.391 -55.311 -11.226 1.00 0.00 C ATOM 1556 CG PHE A 97 26.549 -54.707 -9.858 1.00 0.00 C ATOM 1557 CD1 PHE A 97 26.298 -53.360 -9.648 1.00 0.00 C ATOM 1558 CD2 PHE A 97 26.947 -55.486 -8.782 1.00 0.00 C ATOM 1559 CE1 PHE A 97 26.442 -52.803 -8.391 1.00 0.00 C ATOM 1560 CE2 PHE A 97 27.091 -54.932 -7.524 1.00 0.00 C ATOM 1561 CZ PHE A 97 26.840 -53.590 -7.329 1.00 0.00 C ATOM 0 H PHE A 97 23.634 -56.230 -10.056 1.00 0.00 H new ATOM 0 HA PHE A 97 24.361 -54.732 -11.516 1.00 0.00 H new ATOM 0 HB2 PHE A 97 26.993 -56.218 -11.285 1.00 0.00 H new ATOM 0 HB3 PHE A 97 26.786 -54.617 -11.968 1.00 0.00 H new ATOM 0 HD1 PHE A 97 25.987 -52.739 -10.475 1.00 0.00 H new ATOM 0 HD2 PHE A 97 27.147 -56.537 -8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 97 26.243 -51.752 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 97 27.400 -55.550 -6.694 1.00 0.00 H new ATOM 0 HZ PHE A 97 26.955 -53.155 -6.347 1.00 0.00 H new ATOM 1571 N ALA A 98 23.683 -55.982 -13.609 1.00 0.00 N ATOM 1572 CA ALA A 98 23.383 -56.539 -14.919 1.00 0.00 C ATOM 1573 C ALA A 98 24.332 -56.002 -15.981 1.00 0.00 C ATOM 1574 O ALA A 98 24.702 -54.827 -15.971 1.00 0.00 O ATOM 1575 CB ALA A 98 21.938 -56.253 -15.295 1.00 0.00 C ATOM 0 H ALA A 98 22.924 -55.434 -13.205 1.00 0.00 H new ATOM 0 HA ALA A 98 23.524 -57.619 -14.867 1.00 0.00 H new ATOM 0 HB1 ALA A 98 21.727 -56.675 -16.277 1.00 0.00 H new ATOM 0 HB2 ALA A 98 21.274 -56.703 -14.557 1.00 0.00 H new ATOM 0 HB3 ALA A 98 21.775 -55.176 -15.321 1.00 0.00 H new ATOM 1581 N LYS A 99 24.728 -56.878 -16.889 1.00 0.00 N ATOM 1582 CA LYS A 99 25.623 -56.505 -17.972 1.00 0.00 C ATOM 1583 C LYS A 99 24.823 -56.050 -19.181 1.00 0.00 C ATOM 1584 O LYS A 99 25.390 -55.684 -20.206 1.00 0.00 O ATOM 1585 CB LYS A 99 26.538 -57.674 -18.363 1.00 0.00 C ATOM 1586 CG LYS A 99 27.683 -57.922 -17.391 1.00 0.00 C ATOM 1587 CD LYS A 99 27.195 -58.492 -16.068 1.00 0.00 C ATOM 1588 CE LYS A 99 28.321 -58.581 -15.050 1.00 0.00 C ATOM 1589 NZ LYS A 99 29.415 -59.488 -15.495 1.00 0.00 N ATOM 0 H LYS A 99 24.442 -57.857 -16.898 1.00 0.00 H new ATOM 0 HA LYS A 99 26.248 -55.683 -17.623 1.00 0.00 H new ATOM 0 HB2 LYS A 99 25.938 -58.581 -18.439 1.00 0.00 H new ATOM 0 HB3 LYS A 99 26.952 -57.482 -19.353 1.00 0.00 H new ATOM 0 HG2 LYS A 99 28.398 -58.611 -17.841 1.00 0.00 H new ATOM 0 HG3 LYS A 99 28.213 -56.987 -17.209 1.00 0.00 H new ATOM 0 HD2 LYS A 99 26.395 -57.865 -15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 99 26.772 -59.483 -16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 99 28.727 -57.585 -14.873 1.00 0.00 H new ATOM 0 HE3 LYS A 99 27.922 -58.936 -14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 30.109 -59.597 -14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 29.018 -60.418 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 29.883 -59.083 -16.331 1.00 0.00 H new ATOM 1603 N ALA A 100 23.500 -56.070 -19.048 1.00 0.00 N ATOM 1604 CA ALA A 100 22.608 -55.628 -20.115 1.00 0.00 C ATOM 1605 C ALA A 100 22.783 -54.138 -20.386 1.00 0.00 C ATOM 1606 O ALA A 100 22.398 -53.638 -21.443 1.00 0.00 O ATOM 1607 CB ALA A 100 21.161 -55.936 -19.759 1.00 0.00 C ATOM 0 H ALA A 100 23.020 -56.390 -18.207 1.00 0.00 H new ATOM 0 HA ALA A 100 22.867 -56.172 -21.023 1.00 0.00 H new ATOM 0 HB1 ALA A 100 20.509 -55.600 -20.565 1.00 0.00 H new ATOM 0 HB2 ALA A 100 21.041 -57.010 -19.619 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.895 -55.418 -18.837 1.00 0.00 H new ATOM 1613 N GLU A 101 23.361 -53.437 -19.414 1.00 0.00 N ATOM 1614 CA GLU A 101 23.680 -52.029 -19.562 1.00 0.00 C ATOM 1615 C GLU A 101 24.694 -51.854 -20.690 1.00 0.00 C ATOM 1616 O GLU A 101 24.650 -50.882 -21.448 1.00 0.00 O ATOM 1617 CB GLU A 101 24.249 -51.492 -18.246 1.00 0.00 C ATOM 1618 CG GLU A 101 24.108 -49.991 -18.082 1.00 0.00 C ATOM 1619 CD GLU A 101 22.660 -49.551 -18.123 1.00 0.00 C ATOM 1620 OE1 GLU A 101 21.870 -50.019 -17.278 1.00 0.00 O ATOM 1621 OE2 GLU A 101 22.298 -48.757 -19.016 1.00 0.00 O ATOM 0 H GLU A 101 23.618 -53.830 -18.509 1.00 0.00 H new ATOM 0 HA GLU A 101 22.777 -51.470 -19.808 1.00 0.00 H new ATOM 0 HB2 GLU A 101 23.746 -51.987 -17.415 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.304 -51.757 -18.183 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.553 -49.686 -17.135 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.663 -49.486 -18.872 1.00 0.00 H new ATOM 1628 N PHE A 102 25.599 -52.820 -20.796 1.00 0.00 N ATOM 1629 CA PHE A 102 26.580 -52.844 -21.869 1.00 0.00 C ATOM 1630 C PHE A 102 25.983 -53.556 -23.072 1.00 0.00 C ATOM 1631 O PHE A 102 25.891 -54.783 -23.099 1.00 0.00 O ATOM 1632 CB PHE A 102 27.857 -53.565 -21.422 1.00 0.00 C ATOM 1633 CG PHE A 102 28.489 -52.989 -20.186 1.00 0.00 C ATOM 1634 CD1 PHE A 102 29.402 -51.952 -20.275 1.00 0.00 C ATOM 1635 CD2 PHE A 102 28.173 -53.493 -18.935 1.00 0.00 C ATOM 1636 CE1 PHE A 102 29.986 -51.427 -19.138 1.00 0.00 C ATOM 1637 CE2 PHE A 102 28.754 -52.974 -17.795 1.00 0.00 C ATOM 1638 CZ PHE A 102 29.663 -51.939 -17.897 1.00 0.00 C ATOM 0 H PHE A 102 25.672 -53.602 -20.145 1.00 0.00 H new ATOM 0 HA PHE A 102 26.841 -51.819 -22.134 1.00 0.00 H new ATOM 0 HB2 PHE A 102 27.624 -54.615 -21.242 1.00 0.00 H new ATOM 0 HB3 PHE A 102 28.582 -53.534 -22.235 1.00 0.00 H new ATOM 0 HD1 PHE A 102 29.660 -51.549 -21.243 1.00 0.00 H new ATOM 0 HD2 PHE A 102 27.463 -54.302 -18.850 1.00 0.00 H new ATOM 0 HE1 PHE A 102 30.695 -50.616 -19.220 1.00 0.00 H new ATOM 0 HE2 PHE A 102 28.498 -53.376 -16.826 1.00 0.00 H new ATOM 0 HZ PHE A 102 30.120 -51.531 -17.008 1.00 0.00 H new ATOM 1648 N ASP A 103 25.556 -52.790 -24.060 1.00 0.00 N ATOM 1649 CA ASP A 103 24.871 -53.368 -25.204 1.00 0.00 C ATOM 1650 C ASP A 103 25.870 -53.873 -26.231 1.00 0.00 C ATOM 1651 O ASP A 103 26.803 -53.168 -26.621 1.00 0.00 O ATOM 1652 CB ASP A 103 23.891 -52.371 -25.839 1.00 0.00 C ATOM 1653 CG ASP A 103 24.556 -51.225 -26.578 1.00 0.00 C ATOM 1654 OD1 ASP A 103 25.121 -50.329 -25.916 1.00 0.00 O ATOM 1655 OD2 ASP A 103 24.481 -51.198 -27.825 1.00 0.00 O ATOM 0 H ASP A 103 25.669 -51.777 -24.095 1.00 0.00 H new ATOM 0 HA ASP A 103 24.288 -54.216 -24.845 1.00 0.00 H new ATOM 0 HB2 ASP A 103 23.244 -52.908 -26.532 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.251 -51.961 -25.058 1.00 0.00 H new ATOM 1660 N ARG A 104 25.678 -55.118 -26.643 1.00 0.00 N ATOM 1661 CA ARG A 104 26.516 -55.735 -27.656 1.00 0.00 C ATOM 1662 C ARG A 104 25.632 -56.309 -28.755 1.00 0.00 C ATOM 1663 O ARG A 104 24.840 -57.225 -28.523 1.00 0.00 O ATOM 1664 CB ARG A 104 27.442 -56.814 -27.059 1.00 0.00 C ATOM 1665 CG ARG A 104 26.744 -57.927 -26.279 1.00 0.00 C ATOM 1666 CD ARG A 104 26.369 -57.495 -24.871 1.00 0.00 C ATOM 1667 NE ARG A 104 25.779 -58.588 -24.105 1.00 0.00 N ATOM 1668 CZ ARG A 104 25.077 -58.424 -22.985 1.00 0.00 C ATOM 1669 NH1 ARG A 104 24.870 -57.207 -22.494 1.00 0.00 N ATOM 1670 NH2 ARG A 104 24.579 -59.483 -22.355 1.00 0.00 N ATOM 0 H ARG A 104 24.940 -55.725 -26.285 1.00 0.00 H new ATOM 0 HA ARG A 104 27.168 -54.972 -28.081 1.00 0.00 H new ATOM 0 HB2 ARG A 104 28.013 -57.266 -27.870 1.00 0.00 H new ATOM 0 HB3 ARG A 104 28.159 -56.327 -26.398 1.00 0.00 H new ATOM 0 HG2 ARG A 104 25.845 -58.235 -26.814 1.00 0.00 H new ATOM 0 HG3 ARG A 104 27.398 -58.797 -26.228 1.00 0.00 H new ATOM 0 HD2 ARG A 104 27.257 -57.128 -24.355 1.00 0.00 H new ATOM 0 HD3 ARG A 104 25.664 -56.665 -24.922 1.00 0.00 H new ATOM 0 HE ARG A 104 25.913 -59.539 -24.449 1.00 0.00 H new ATOM 0 HH11 ARG A 104 25.249 -56.392 -22.975 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.332 -57.088 -21.636 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.735 -60.419 -22.729 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.041 -59.360 -21.497 1.00 0.00 H new ATOM 1684 N LEU A 105 25.743 -55.742 -29.946 1.00 0.00 N ATOM 1685 CA LEU A 105 24.813 -56.056 -31.020 1.00 0.00 C ATOM 1686 C LEU A 105 25.431 -56.977 -32.068 1.00 0.00 C ATOM 1687 O LEU A 105 24.821 -57.974 -32.459 1.00 0.00 O ATOM 1688 CB LEU A 105 24.329 -54.757 -31.674 1.00 0.00 C ATOM 1689 CG LEU A 105 23.156 -54.905 -32.642 1.00 0.00 C ATOM 1690 CD1 LEU A 105 21.942 -55.482 -31.930 1.00 0.00 C ATOM 1691 CD2 LEU A 105 22.815 -53.561 -33.265 1.00 0.00 C ATOM 0 H LEU A 105 26.465 -55.065 -30.193 1.00 0.00 H new ATOM 0 HA LEU A 105 23.968 -56.589 -30.585 1.00 0.00 H new ATOM 0 HB2 LEU A 105 24.042 -54.060 -30.887 1.00 0.00 H new ATOM 0 HB3 LEU A 105 25.165 -54.307 -32.210 1.00 0.00 H new ATOM 0 HG LEU A 105 23.448 -55.594 -33.434 1.00 0.00 H new ATOM 0 HD11 LEU A 105 21.118 -55.579 -32.637 1.00 0.00 H new ATOM 0 HD12 LEU A 105 22.190 -56.463 -31.525 1.00 0.00 H new ATOM 0 HD13 LEU A 105 21.647 -54.818 -31.118 1.00 0.00 H new ATOM 0 HD21 LEU A 105 21.978 -53.681 -33.953 1.00 0.00 H new ATOM 0 HD22 LEU A 105 22.542 -52.855 -32.481 1.00 0.00 H new ATOM 0 HD23 LEU A 105 23.680 -53.182 -33.809 1.00 0.00 H new ATOM 1703 N TRP A 106 26.633 -56.657 -32.516 1.00 0.00 N ATOM 1704 CA TRP A 106 27.224 -57.355 -33.649 1.00 0.00 C ATOM 1705 C TRP A 106 28.364 -58.277 -33.232 1.00 0.00 C ATOM 1706 O TRP A 106 29.476 -57.822 -32.940 1.00 0.00 O ATOM 1707 CB TRP A 106 27.719 -56.349 -34.689 1.00 0.00 C ATOM 1708 CG TRP A 106 26.656 -55.411 -35.179 1.00 0.00 C ATOM 1709 CD1 TRP A 106 26.619 -54.059 -35.008 1.00 0.00 C ATOM 1710 CD2 TRP A 106 25.471 -55.756 -35.908 1.00 0.00 C ATOM 1711 NE1 TRP A 106 25.489 -53.541 -35.592 1.00 0.00 N ATOM 1712 CE2 TRP A 106 24.769 -54.564 -36.152 1.00 0.00 C ATOM 1713 CE3 TRP A 106 24.940 -56.960 -36.382 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 23.560 -54.539 -36.850 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 23.745 -56.934 -37.073 1.00 0.00 C ATOM 1716 CH2 TRP A 106 23.066 -55.732 -37.302 1.00 0.00 C ATOM 0 H TRP A 106 27.217 -55.923 -32.116 1.00 0.00 H new ATOM 0 HA TRP A 106 26.444 -57.979 -34.085 1.00 0.00 H new ATOM 0 HB2 TRP A 106 28.534 -55.767 -34.258 1.00 0.00 H new ATOM 0 HB3 TRP A 106 28.131 -56.893 -35.539 1.00 0.00 H new ATOM 0 HD1 TRP A 106 27.369 -53.480 -34.489 1.00 0.00 H new ATOM 0 HE1 TRP A 106 25.228 -52.555 -35.607 1.00 0.00 H new ATOM 0 HE3 TRP A 106 25.456 -57.893 -36.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 23.034 -53.612 -37.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 23.327 -57.858 -37.444 1.00 0.00 H new ATOM 0 HH2 TRP A 106 22.133 -55.746 -37.846 1.00 0.00 H new ATOM 1727 N LYS A 107 28.056 -59.572 -33.185 1.00 0.00 N ATOM 1728 CA LYS A 107 29.055 -60.629 -33.024 1.00 0.00 C ATOM 1729 C LYS A 107 29.789 -60.527 -31.686 1.00 0.00 C ATOM 1730 O LYS A 107 30.951 -60.915 -31.573 1.00 0.00 O ATOM 1731 CB LYS A 107 30.052 -60.575 -34.188 1.00 0.00 C ATOM 1732 CG LYS A 107 30.796 -61.877 -34.435 1.00 0.00 C ATOM 1733 CD LYS A 107 32.304 -61.685 -34.360 1.00 0.00 C ATOM 1734 CE LYS A 107 33.051 -62.926 -34.824 1.00 0.00 C ATOM 1735 NZ LYS A 107 32.815 -63.204 -36.267 1.00 0.00 N ATOM 0 H LYS A 107 27.100 -59.920 -33.258 1.00 0.00 H new ATOM 0 HA LYS A 107 28.535 -61.587 -33.031 1.00 0.00 H new ATOM 0 HB2 LYS A 107 29.517 -60.298 -35.096 1.00 0.00 H new ATOM 0 HB3 LYS A 107 30.779 -59.786 -33.992 1.00 0.00 H new ATOM 0 HG2 LYS A 107 30.486 -62.619 -33.699 1.00 0.00 H new ATOM 0 HG3 LYS A 107 30.527 -62.270 -35.416 1.00 0.00 H new ATOM 0 HD2 LYS A 107 32.594 -60.834 -34.976 1.00 0.00 H new ATOM 0 HD3 LYS A 107 32.591 -61.449 -33.335 1.00 0.00 H new ATOM 0 HE2 LYS A 107 34.119 -62.795 -34.649 1.00 0.00 H new ATOM 0 HE3 LYS A 107 32.734 -63.784 -34.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 33.551 -63.847 -36.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 31.881 -63.646 -36.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 32.847 -62.313 -36.802 1.00 0.00 H new ATOM 1749 N LYS A 108 29.115 -60.029 -30.663 1.00 0.00 N ATOM 1750 CA LYS A 108 29.735 -59.921 -29.353 1.00 0.00 C ATOM 1751 C LYS A 108 28.937 -60.707 -28.326 1.00 0.00 C ATOM 1752 O LYS A 108 27.722 -60.476 -28.223 1.00 0.00 O ATOM 1753 CB LYS A 108 29.872 -58.461 -28.918 1.00 0.00 C ATOM 1754 CG LYS A 108 30.592 -57.586 -29.928 1.00 0.00 C ATOM 1755 CD LYS A 108 31.068 -56.288 -29.302 1.00 0.00 C ATOM 1756 CE LYS A 108 32.261 -56.512 -28.381 1.00 0.00 C ATOM 1757 NZ LYS A 108 33.447 -57.025 -29.124 1.00 0.00 N ATOM 1758 OXT LYS A 108 29.530 -61.558 -27.629 1.00 0.00 O ATOM 0 H LYS A 108 28.152 -59.697 -30.712 1.00 0.00 H new ATOM 0 HA LYS A 108 30.738 -60.343 -29.421 1.00 0.00 H new ATOM 0 HB2 LYS A 108 28.878 -58.050 -28.738 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.409 -58.423 -27.970 1.00 0.00 H new ATOM 0 HG2 LYS A 108 31.445 -58.128 -30.337 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.925 -57.366 -30.761 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.342 -55.584 -30.088 1.00 0.00 H new ATOM 0 HD3 LYS A 108 30.253 -55.835 -28.738 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.519 -55.575 -27.887 1.00 0.00 H new ATOM 0 HE3 LYS A 108 31.988 -57.220 -27.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 34.308 -56.848 -28.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.341 -58.047 -29.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.520 -56.538 -30.040 1.00 0.00 H new TER 1772 LYS A 108