USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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: B 19 TYR OH : rot 36:sc= 0.86 USER MOD Set 1.2: B 64 MET CE :methyl 147:sc= -1.83 (180deg=-4.72!) USER MOD Set 2.1: B 57 ASN :FLIP amide:sc= -8.76! C(o=-18!,f=-14!) USER MOD Set 2.2: B 69 THR OG1 : rot -30:sc= -5.25! USER MOD Single : A 1 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.3!) USER MOD Single : A 1 GLN N :NH3+ -118:sc= -1.65! (180deg=-4.64!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc=-0.00192 (180deg=-0.0403) USER MOD Single : A 6 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.296 X(o=-0.3,f=0.06) USER MOD Single : A 14 HIS : no HE2:sc= -5.59! C(o=-5.6!,f=-6.1!) USER MOD Single : A 19 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= -3! C(o=-3!,f=-4.7!) USER MOD Single : A 25 GLN : amide:sc= -7.55! C(o=-7.6!,f=-10!) USER MOD Single : B 13 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.57) USER MOD Single : B 16 ASN :FLIP amide:sc=-0.00756 F(o=-1.4,f=-0.0076) USER MOD Single : B 20 GLN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : B 23 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.5!) USER MOD Single : B 29 THR OG1 : rot -176:sc= -8.6! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.787 K(o=-0.79,f=-1.7) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00707 X(o=-0.0071,f=-0.014) USER MOD Single : B 42 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.37) USER MOD Single : B 43 HIS :FLIP no HE2:sc= -6.57! C(o=-7.7!,f=-6.6!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot -70:sc= 0.743 USER MOD Single : B 53 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.8!) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 ASN : amide:sc= -2.83! C(o=-2.8!,f=-11!) USER MOD Single : B 63 ASN : amide:sc= -2.16! C(o=-2.2!,f=-1.7!) USER MOD Single : B 65 LYS NZ :NH3+ -134:sc= -1.26 (180deg=-3.27!) USER MOD Single : B 66 GLN : amide:sc= -0.29 K(o=-0.29,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.808 1.726 14.985 1.00 0.00 N ATOM 2 CA GLN A 1 6.993 1.437 14.195 1.00 0.00 C ATOM 3 C GLN A 1 7.253 -0.070 14.160 1.00 0.00 C ATOM 4 O GLN A 1 8.275 -0.538 14.659 1.00 0.00 O ATOM 5 CB GLN A 1 8.210 2.192 14.735 1.00 0.00 C ATOM 6 CG GLN A 1 9.501 1.683 14.091 1.00 0.00 C ATOM 7 CD GLN A 1 10.425 1.056 15.137 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.101 0.953 16.308 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.592 0.644 14.649 1.00 0.00 N ATOM 0 H1 GLN A 1 5.090 2.177 14.382 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.426 0.841 15.375 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.058 2.368 15.764 1.00 0.00 H new ATOM 0 HA GLN A 1 6.818 1.779 13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.097 3.258 14.539 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.267 2.071 15.817 1.00 0.00 H new ATOM 0 HG2 GLN A 1 9.263 0.947 13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 1 10.014 2.507 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 1 11.800 0.761 13.657 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.279 0.211 15.267 1.00 0.00 H new ATOM 10 N PRO A 2 6.286 -0.806 13.550 1.00 0.00 N ATOM 11 CA PRO A 2 6.401 -2.251 13.444 1.00 0.00 C ATOM 12 C PRO A 2 7.422 -2.643 12.374 1.00 0.00 C ATOM 13 O PRO A 2 7.359 -2.160 11.244 1.00 0.00 O ATOM 14 CB PRO A 2 4.995 -2.735 13.129 1.00 0.00 C ATOM 15 CG PRO A 2 4.242 -1.519 12.613 1.00 0.00 C ATOM 16 CD PRO A 2 5.063 -0.284 12.948 1.00 0.00 C ATOM 0 HA PRO A 2 6.771 -2.712 14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.013 -3.529 12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.514 -3.144 14.018 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.088 -1.594 11.537 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.256 -1.458 13.073 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.280 0.302 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.530 0.371 13.637 1.00 0.00 H new ATOM 17 N GLN A 3 8.339 -3.514 12.768 1.00 0.00 N ATOM 18 CA GLN A 3 9.372 -3.976 11.857 1.00 0.00 C ATOM 19 C GLN A 3 8.789 -4.975 10.855 1.00 0.00 C ATOM 20 O GLN A 3 9.135 -4.951 9.675 1.00 0.00 O ATOM 21 CB GLN A 3 10.545 -4.590 12.624 1.00 0.00 C ATOM 22 CG GLN A 3 11.882 -4.077 12.084 1.00 0.00 C ATOM 23 CD GLN A 3 12.649 -3.307 13.162 1.00 0.00 C ATOM 24 OE1 GLN A 3 12.354 -2.166 13.474 1.00 0.00 O ATOM 25 NE2 GLN A 3 13.646 -3.995 13.710 1.00 0.00 N ATOM 0 H GLN A 3 8.388 -3.912 13.706 1.00 0.00 H new ATOM 0 HA GLN A 3 9.752 -3.117 11.304 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.459 -4.347 13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.509 -5.676 12.543 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.483 -4.916 11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.707 -3.430 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.838 -4.948 13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.218 -3.570 14.439 1.00 0.00 H new ATOM 26 N LYS A 4 7.913 -5.830 11.363 1.00 0.00 N ATOM 27 CA LYS A 4 7.278 -6.836 10.528 1.00 0.00 C ATOM 28 C LYS A 4 6.566 -6.148 9.362 1.00 0.00 C ATOM 29 O LYS A 4 6.613 -6.630 8.231 1.00 0.00 O ATOM 30 CB LYS A 4 6.362 -7.729 11.367 1.00 0.00 C ATOM 31 CG LYS A 4 7.008 -8.067 12.712 1.00 0.00 C ATOM 32 CD LYS A 4 6.487 -9.401 13.250 1.00 0.00 C ATOM 33 CE LYS A 4 7.643 -10.302 13.691 1.00 0.00 C ATOM 34 NZ LYS A 4 8.390 -10.801 12.514 1.00 0.00 N ATOM 0 H LYS A 4 7.628 -5.847 12.342 1.00 0.00 H new ATOM 0 HA LYS A 4 8.026 -7.502 10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.410 -7.225 11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.146 -8.648 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.091 -8.115 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.798 -7.274 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.819 -9.222 14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.902 -9.904 12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.314 -9.747 14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.257 -11.143 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.010 -11.585 12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.719 -11.137 11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.967 -10.032 12.117 1.00 0.00 H new ATOM 35 N CYS A 5 5.924 -5.033 9.677 1.00 0.00 N ATOM 36 CA CYS A 5 5.204 -4.274 8.668 1.00 0.00 C ATOM 37 C CYS A 5 6.183 -3.909 7.551 1.00 0.00 C ATOM 38 O CYS A 5 6.069 -4.408 6.432 1.00 0.00 O ATOM 39 CB CYS A 5 4.532 -3.037 9.265 1.00 0.00 C ATOM 40 SG CYS A 5 2.851 -3.322 9.931 1.00 0.00 S ATOM 0 H CYS A 5 5.887 -4.637 10.616 1.00 0.00 H new ATOM 0 HA CYS A 5 4.398 -4.882 8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.163 -2.648 10.064 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.477 -2.265 8.498 1.00 0.00 H new ATOM 41 N GLN A 6 7.125 -3.041 7.893 1.00 0.00 N ATOM 42 CA GLN A 6 8.123 -2.603 6.932 1.00 0.00 C ATOM 43 C GLN A 6 8.783 -3.811 6.265 1.00 0.00 C ATOM 44 O GLN A 6 9.076 -3.782 5.070 1.00 0.00 O ATOM 45 CB GLN A 6 9.167 -1.706 7.598 1.00 0.00 C ATOM 46 CG GLN A 6 8.881 -1.547 9.093 1.00 0.00 C ATOM 47 CD GLN A 6 9.954 -0.691 9.769 1.00 0.00 C ATOM 48 OE1 GLN A 6 11.140 -0.971 9.702 1.00 0.00 O ATOM 49 NE2 GLN A 6 9.474 0.363 10.421 1.00 0.00 N ATOM 0 H GLN A 6 7.218 -2.630 8.822 1.00 0.00 H new ATOM 0 HA GLN A 6 7.625 -2.015 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.160 -2.132 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.169 -0.727 7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.903 -1.087 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.842 -2.528 9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.469 0.539 10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.110 0.996 10.905 1.00 0.00 H new ATOM 50 N ARG A 7 8.998 -4.845 7.066 1.00 0.00 N ATOM 51 CA ARG A 7 9.618 -6.061 6.567 1.00 0.00 C ATOM 52 C ARG A 7 8.716 -6.731 5.529 1.00 0.00 C ATOM 53 O ARG A 7 9.020 -6.720 4.337 1.00 0.00 O ATOM 54 CB ARG A 7 9.893 -7.045 7.706 1.00 0.00 C ATOM 55 CG ARG A 7 11.183 -6.684 8.445 1.00 0.00 C ATOM 56 CD ARG A 7 12.387 -7.396 7.826 1.00 0.00 C ATOM 57 NE ARG A 7 13.566 -7.257 8.709 1.00 0.00 N ATOM 58 CZ ARG A 7 13.865 -8.109 9.713 1.00 0.00 C ATOM 59 NH1 ARG A 7 13.072 -9.171 9.969 1.00 0.00 N ATOM 60 NH2 ARG A 7 14.945 -7.888 10.439 1.00 0.00 N ATOM 0 H ARG A 7 8.754 -4.866 8.056 1.00 0.00 H new ATOM 0 HA ARG A 7 10.565 -5.784 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.056 -7.041 8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.970 -8.056 7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.337 -5.605 8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.094 -6.960 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.158 -8.451 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.605 -6.973 6.845 1.00 0.00 H new ATOM 0 HE ARG A 7 14.192 -6.468 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.240 -9.335 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.305 -9.810 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.539 -7.084 10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.186 -8.522 11.201 1.00 0.00 H new ATOM 61 N GLU A 8 7.624 -7.298 6.020 1.00 0.00 N ATOM 62 CA GLU A 8 6.674 -7.971 5.150 1.00 0.00 C ATOM 63 C GLU A 8 6.545 -7.219 3.824 1.00 0.00 C ATOM 64 O GLU A 8 6.478 -7.835 2.761 1.00 0.00 O ATOM 65 CB GLU A 8 5.314 -8.120 5.833 1.00 0.00 C ATOM 66 CG GLU A 8 5.046 -9.577 6.211 1.00 0.00 C ATOM 67 CD GLU A 8 5.974 -10.030 7.341 1.00 0.00 C ATOM 68 OE1 GLU A 8 7.187 -10.155 7.063 1.00 0.00 O ATOM 69 OE2 GLU A 8 5.450 -10.240 8.457 1.00 0.00 O ATOM 0 H GLU A 8 7.376 -7.305 7.009 1.00 0.00 H new ATOM 0 HA GLU A 8 7.048 -8.973 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.282 -7.497 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.528 -7.763 5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.007 -9.691 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.190 -10.215 5.339 1.00 0.00 H new ATOM 70 N PHE A 9 6.513 -5.899 3.930 1.00 0.00 N ATOM 71 CA PHE A 9 6.391 -5.057 2.752 1.00 0.00 C ATOM 72 C PHE A 9 7.454 -5.414 1.711 1.00 0.00 C ATOM 73 O PHE A 9 7.132 -5.926 0.641 1.00 0.00 O ATOM 74 CB PHE A 9 6.608 -3.613 3.211 1.00 0.00 C ATOM 75 CG PHE A 9 6.195 -2.563 2.177 1.00 0.00 C ATOM 76 CD1 PHE A 9 5.255 -2.864 1.240 1.00 0.00 C ATOM 77 CD2 PHE A 9 6.767 -1.330 2.194 1.00 0.00 C ATOM 78 CE1 PHE A 9 4.872 -1.889 0.282 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.384 -0.356 1.235 1.00 0.00 C ATOM 80 CZ PHE A 9 5.445 -0.656 0.299 1.00 0.00 C ATOM 0 H PHE A 9 6.569 -5.392 4.813 1.00 0.00 H new ATOM 0 HA PHE A 9 5.412 -5.196 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.044 -3.446 4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.661 -3.474 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.801 -3.844 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.513 -1.091 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.125 -2.127 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.839 0.624 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.154 0.085 -0.431 1.00 0.00 H new ATOM 81 N GLN A 10 8.700 -5.127 2.062 1.00 0.00 N ATOM 82 CA GLN A 10 9.811 -5.411 1.170 1.00 0.00 C ATOM 83 C GLN A 10 10.150 -6.904 1.202 1.00 0.00 C ATOM 84 O GLN A 10 10.298 -7.533 0.156 1.00 0.00 O ATOM 85 CB GLN A 10 11.034 -4.565 1.532 1.00 0.00 C ATOM 86 CG GLN A 10 11.759 -4.083 0.273 1.00 0.00 C ATOM 87 CD GLN A 10 13.274 -4.074 0.484 1.00 0.00 C ATOM 88 OE1 GLN A 10 14.015 -4.829 -0.124 1.00 0.00 O ATOM 89 NE2 GLN A 10 13.691 -3.181 1.376 1.00 0.00 N ATOM 0 H GLN A 10 8.964 -4.701 2.951 1.00 0.00 H new ATOM 0 HA GLN A 10 9.513 -5.147 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.724 -3.707 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.717 -5.151 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.509 -4.732 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.418 -3.081 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.017 -2.580 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.685 -3.097 1.587 1.00 0.00 H new ATOM 90 N GLN A 11 10.260 -7.427 2.415 1.00 0.00 N ATOM 91 CA GLN A 11 10.578 -8.833 2.596 1.00 0.00 C ATOM 92 C GLN A 11 9.825 -9.684 1.572 1.00 0.00 C ATOM 93 O GLN A 11 10.356 -10.673 1.070 1.00 0.00 O ATOM 94 CB GLN A 11 10.262 -9.287 4.023 1.00 0.00 C ATOM 95 CG GLN A 11 11.307 -10.286 4.524 1.00 0.00 C ATOM 96 CD GLN A 11 10.666 -11.642 4.827 1.00 0.00 C ATOM 97 OE1 GLN A 11 10.871 -12.624 4.132 1.00 0.00 O ATOM 98 NE2 GLN A 11 9.881 -11.643 5.901 1.00 0.00 N ATOM 0 H GLN A 11 10.135 -6.903 3.281 1.00 0.00 H new ATOM 0 HA GLN A 11 11.648 -8.967 2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.233 -8.422 4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.273 -9.744 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.088 -10.408 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.786 -9.897 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.752 -10.786 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.408 -12.501 6.186 1.00 0.00 H new ATOM 99 N GLU A 12 8.598 -9.267 1.292 1.00 0.00 N ATOM 100 CA GLU A 12 7.767 -9.980 0.335 1.00 0.00 C ATOM 101 C GLU A 12 8.224 -9.679 -1.092 1.00 0.00 C ATOM 102 O GLU A 12 9.094 -10.363 -1.628 1.00 0.00 O ATOM 103 CB GLU A 12 6.290 -9.627 0.525 1.00 0.00 C ATOM 104 CG GLU A 12 5.749 -10.212 1.832 1.00 0.00 C ATOM 105 CD GLU A 12 5.026 -11.537 1.582 1.00 0.00 C ATOM 106 OE1 GLU A 12 5.324 -12.159 0.540 1.00 0.00 O ATOM 107 OE2 GLU A 12 4.192 -11.898 2.440 1.00 0.00 O ATOM 0 H GLU A 12 8.160 -8.446 1.710 1.00 0.00 H new ATOM 0 HA GLU A 12 7.877 -11.050 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.169 -8.544 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.710 -10.008 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.570 -10.368 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.065 -9.502 2.296 1.00 0.00 H new ATOM 108 N GLN A 13 7.615 -8.653 -1.671 1.00 0.00 N ATOM 109 CA GLN A 13 7.948 -8.252 -3.027 1.00 0.00 C ATOM 110 C GLN A 13 7.007 -7.144 -3.500 1.00 0.00 C ATOM 111 O GLN A 13 6.151 -7.372 -4.353 1.00 0.00 O ATOM 112 CB GLN A 13 7.905 -9.450 -3.978 1.00 0.00 C ATOM 113 CG GLN A 13 9.317 -9.944 -4.302 1.00 0.00 C ATOM 114 CD GLN A 13 9.354 -11.470 -4.405 1.00 0.00 C ATOM 115 OE1 GLN A 13 8.852 -12.188 -3.556 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.973 -11.924 -5.491 1.00 0.00 N ATOM 0 H GLN A 13 6.893 -8.088 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 13 8.966 -7.862 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.328 -10.257 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.394 -9.170 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.653 -9.504 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.009 -9.611 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.372 -11.268 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.049 -12.928 -5.652 1.00 0.00 H new ATOM 117 N HIS A 14 7.197 -5.964 -2.924 1.00 0.00 N ATOM 118 CA HIS A 14 6.375 -4.819 -3.276 1.00 0.00 C ATOM 119 C HIS A 14 5.444 -5.191 -4.432 1.00 0.00 C ATOM 120 O HIS A 14 5.901 -5.446 -5.545 1.00 0.00 O ATOM 121 CB HIS A 14 7.245 -3.600 -3.586 1.00 0.00 C ATOM 122 CG HIS A 14 8.065 -3.117 -2.413 1.00 0.00 C ATOM 123 ND1 HIS A 14 8.778 -1.932 -2.435 1.00 0.00 N ATOM 124 CD2 HIS A 14 8.275 -3.670 -1.185 1.00 0.00 C ATOM 125 CE1 HIS A 14 9.388 -1.788 -1.267 1.00 0.00 C ATOM 126 NE2 HIS A 14 9.074 -2.867 -0.493 1.00 0.00 N ATOM 0 H HIS A 14 7.908 -5.778 -2.217 1.00 0.00 H new ATOM 0 HA HIS A 14 5.751 -4.541 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.916 -3.845 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.605 -2.787 -3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 14 8.826 -1.279 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.861 -4.604 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.022 -0.962 -0.979 1.00 0.00 H new ATOM 127 N LEU A 15 4.154 -5.211 -4.128 1.00 0.00 N ATOM 128 CA LEU A 15 3.155 -5.548 -5.127 1.00 0.00 C ATOM 129 C LEU A 15 3.519 -4.877 -6.453 1.00 0.00 C ATOM 130 O LEU A 15 4.319 -3.943 -6.481 1.00 0.00 O ATOM 131 CB LEU A 15 1.753 -5.193 -4.624 1.00 0.00 C ATOM 132 CG LEU A 15 1.646 -4.821 -3.144 1.00 0.00 C ATOM 133 CD1 LEU A 15 2.149 -5.960 -2.255 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.371 -3.505 -2.855 1.00 0.00 C ATOM 0 H LEU A 15 3.778 -4.999 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 15 3.143 -6.623 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.377 -4.359 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.095 -6.041 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 15 0.594 -4.667 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.062 -5.670 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.551 -6.853 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.193 -6.170 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.279 -3.264 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.425 -3.606 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.926 -2.706 -3.449 1.00 0.00 H new ATOM 135 N ARG A 16 2.916 -5.382 -7.520 1.00 0.00 N ATOM 136 CA ARG A 16 3.167 -4.843 -8.846 1.00 0.00 C ATOM 137 C ARG A 16 1.895 -4.209 -9.412 1.00 0.00 C ATOM 138 O ARG A 16 1.933 -3.100 -9.943 1.00 0.00 O ATOM 139 CB ARG A 16 3.653 -5.936 -9.800 1.00 0.00 C ATOM 140 CG ARG A 16 5.169 -6.119 -9.699 1.00 0.00 C ATOM 141 CD ARG A 16 5.727 -6.774 -10.964 1.00 0.00 C ATOM 142 NE ARG A 16 7.119 -7.221 -10.730 1.00 0.00 N ATOM 143 CZ ARG A 16 7.448 -8.415 -10.217 1.00 0.00 C ATOM 144 NH1 ARG A 16 6.488 -9.287 -9.880 1.00 0.00 N ATOM 145 NH2 ARG A 16 8.736 -8.735 -10.039 1.00 0.00 N ATOM 0 H ARG A 16 2.255 -6.158 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 16 3.944 -4.084 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.153 -6.876 -9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.382 -5.677 -10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.646 -5.151 -9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.408 -6.734 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.106 -7.624 -11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.698 -6.067 -11.793 1.00 0.00 H new ATOM 0 HE ARG A 16 7.874 -6.581 -10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.507 -9.042 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.738 -10.195 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.467 -8.070 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.987 -9.643 -9.649 1.00 0.00 H new ATOM 146 N ALA A 17 0.799 -4.941 -9.278 1.00 0.00 N ATOM 147 CA ALA A 17 -0.483 -4.463 -9.769 1.00 0.00 C ATOM 148 C ALA A 17 -0.691 -3.017 -9.320 1.00 0.00 C ATOM 149 O ALA A 17 -1.369 -2.243 -9.994 1.00 0.00 O ATOM 150 CB ALA A 17 -1.595 -5.392 -9.280 1.00 0.00 C ATOM 0 H ALA A 17 0.772 -5.860 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.504 -4.474 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.556 -5.034 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.417 -6.401 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.606 -5.405 -8.190 1.00 0.00 H new ATOM 151 N CYS A 18 -0.095 -2.693 -8.181 1.00 0.00 N ATOM 152 CA CYS A 18 -0.206 -1.353 -7.632 1.00 0.00 C ATOM 153 C CYS A 18 0.766 -0.443 -8.385 1.00 0.00 C ATOM 154 O CYS A 18 0.509 0.749 -8.546 1.00 0.00 O ATOM 155 CB CYS A 18 0.049 -1.336 -6.124 1.00 0.00 C ATOM 156 SG CYS A 18 -0.706 -2.725 -5.202 1.00 0.00 S ATOM 0 H CYS A 18 0.467 -3.337 -7.624 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.224 -0.986 -7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.125 -1.346 -5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.330 -0.399 -5.716 1.00 0.00 H new ATOM 157 N GLN A 19 1.864 -1.040 -8.827 1.00 0.00 N ATOM 158 CA GLN A 19 2.876 -0.298 -9.560 1.00 0.00 C ATOM 159 C GLN A 19 2.221 0.771 -10.435 1.00 0.00 C ATOM 160 O GLN A 19 2.793 1.839 -10.651 1.00 0.00 O ATOM 161 CB GLN A 19 3.744 -1.238 -10.399 1.00 0.00 C ATOM 162 CG GLN A 19 5.123 -0.627 -10.657 1.00 0.00 C ATOM 163 CD GLN A 19 5.353 -0.404 -12.153 1.00 0.00 C ATOM 164 OE1 GLN A 19 4.433 -0.177 -12.921 1.00 0.00 O ATOM 165 NE2 GLN A 19 6.628 -0.482 -12.522 1.00 0.00 N ATOM 0 H GLN A 19 2.075 -2.029 -8.691 1.00 0.00 H new ATOM 0 HA GLN A 19 3.527 0.199 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.856 -2.192 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.250 -1.444 -11.349 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.209 0.321 -10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.896 -1.285 -10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.349 -0.675 -11.827 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.885 -0.349 -13.500 1.00 0.00 H new ATOM 166 N GLN A 20 1.029 0.449 -10.916 1.00 0.00 N ATOM 167 CA GLN A 20 0.289 1.369 -11.762 1.00 0.00 C ATOM 168 C GLN A 20 0.031 2.683 -11.021 1.00 0.00 C ATOM 169 O GLN A 20 0.778 3.646 -11.180 1.00 0.00 O ATOM 170 CB GLN A 20 -1.023 0.742 -12.240 1.00 0.00 C ATOM 171 CG GLN A 20 -0.774 -0.248 -13.380 1.00 0.00 C ATOM 172 CD GLN A 20 -1.592 0.127 -14.618 1.00 0.00 C ATOM 173 OE1 GLN A 20 -2.659 0.712 -14.536 1.00 0.00 O ATOM 174 NE2 GLN A 20 -1.032 -0.242 -15.767 1.00 0.00 N ATOM 0 H GLN A 20 0.557 -0.437 -10.735 1.00 0.00 H new ATOM 0 HA GLN A 20 0.892 1.585 -12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.510 0.231 -11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.703 1.525 -12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.287 -0.261 -13.630 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.037 -1.255 -13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.136 -0.729 -15.764 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.499 -0.038 -16.651 1.00 0.00 H new ATOM 175 N TRP A 21 -1.030 2.678 -10.227 1.00 0.00 N ATOM 176 CA TRP A 21 -1.396 3.857 -9.461 1.00 0.00 C ATOM 177 C TRP A 21 -0.169 4.302 -8.663 1.00 0.00 C ATOM 178 O TRP A 21 0.354 5.394 -8.880 1.00 0.00 O ATOM 179 CB TRP A 21 -2.615 3.581 -8.578 1.00 0.00 C ATOM 180 CG TRP A 21 -2.530 4.208 -7.186 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.749 5.485 -6.840 1.00 0.00 C ATOM 182 CD2 TRP A 21 -2.191 3.530 -5.956 1.00 0.00 C ATOM 183 NE1 TRP A 21 -2.577 5.679 -5.485 1.00 0.00 N ATOM 184 CE2 TRP A 21 -2.227 4.453 -4.931 1.00 0.00 C ATOM 185 CE3 TRP A 21 -1.866 2.183 -5.720 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -1.948 4.128 -3.598 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -1.589 1.875 -4.383 1.00 0.00 C ATOM 188 CH2 TRP A 21 -1.621 2.792 -3.339 1.00 0.00 C ATOM 0 H TRP A 21 -1.647 1.876 -10.098 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.694 4.670 -10.123 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -3.507 3.956 -9.080 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.738 2.503 -8.473 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.025 6.264 -7.535 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.686 6.560 -4.982 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.833 1.445 -6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.983 4.868 -2.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.332 0.853 -4.146 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.394 2.475 -2.332 1.00 0.00 H new ATOM 189 N ILE A 22 0.255 3.433 -7.757 1.00 0.00 N ATOM 190 CA ILE A 22 1.411 3.724 -6.926 1.00 0.00 C ATOM 191 C ILE A 22 2.376 4.626 -7.698 1.00 0.00 C ATOM 192 O ILE A 22 2.878 5.610 -7.157 1.00 0.00 O ATOM 193 CB ILE A 22 2.049 2.427 -6.424 1.00 0.00 C ATOM 194 CG1 ILE A 22 2.864 1.753 -7.531 1.00 0.00 C ATOM 195 CG2 ILE A 22 0.995 1.488 -5.837 1.00 0.00 C ATOM 196 CD1 ILE A 22 4.250 2.388 -7.655 1.00 0.00 C ATOM 0 H ILE A 22 -0.181 2.528 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 22 1.110 4.271 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 22 2.741 2.676 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.965 0.689 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.335 1.838 -8.480 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.476 0.574 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.496 1.978 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.260 1.241 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.808 1.891 -8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.145 3.446 -7.893 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.785 2.280 -6.712 1.00 0.00 H new ATOM 197 N ARG A 23 2.606 4.257 -8.950 1.00 0.00 N ATOM 198 CA ARG A 23 3.501 5.021 -9.802 1.00 0.00 C ATOM 199 C ARG A 23 2.752 6.185 -10.452 1.00 0.00 C ATOM 200 O ARG A 23 2.987 7.345 -10.116 1.00 0.00 O ATOM 201 CB ARG A 23 4.106 4.139 -10.896 1.00 0.00 C ATOM 202 CG ARG A 23 5.057 4.943 -11.785 1.00 0.00 C ATOM 203 CD ARG A 23 5.829 4.024 -12.735 1.00 0.00 C ATOM 204 NE ARG A 23 6.935 4.770 -13.374 1.00 0.00 N ATOM 205 CZ ARG A 23 6.771 5.634 -14.385 1.00 0.00 C ATOM 206 NH1 ARG A 23 5.546 5.866 -14.877 1.00 0.00 N ATOM 207 NH2 ARG A 23 7.832 6.267 -14.905 1.00 0.00 N ATOM 0 H ARG A 23 2.188 3.439 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 23 4.305 5.407 -9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.644 3.307 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.310 3.710 -11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.491 5.674 -12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.758 5.500 -11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.225 3.170 -12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.158 3.629 -13.497 1.00 0.00 H new ATOM 0 HE ARG A 23 7.881 4.617 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.738 5.385 -14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.422 6.524 -15.647 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.765 6.091 -14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.707 6.925 -15.675 1.00 0.00 H new ATOM 208 N GLN A 24 1.864 5.836 -11.372 1.00 0.00 N ATOM 209 CA GLN A 24 1.078 6.838 -12.072 1.00 0.00 C ATOM 210 C GLN A 24 0.634 7.935 -11.103 1.00 0.00 C ATOM 211 O GLN A 24 0.655 9.116 -11.447 1.00 0.00 O ATOM 212 CB GLN A 24 -0.127 6.201 -12.769 1.00 0.00 C ATOM 213 CG GLN A 24 -0.854 7.221 -13.648 1.00 0.00 C ATOM 214 CD GLN A 24 -1.735 8.143 -12.803 1.00 0.00 C ATOM 215 OE1 GLN A 24 -2.156 7.810 -11.707 1.00 0.00 O ATOM 216 NE2 GLN A 24 -1.989 9.318 -13.372 1.00 0.00 N ATOM 0 H GLN A 24 1.672 4.873 -11.649 1.00 0.00 H new ATOM 0 HA GLN A 24 1.703 7.291 -12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.204 5.360 -13.379 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.815 5.803 -12.023 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.126 7.814 -14.201 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.467 6.701 -14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.605 9.533 -14.292 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.568 10.004 -12.888 1.00 0.00 H new ATOM 217 N GLN A 25 0.241 7.507 -9.912 1.00 0.00 N ATOM 218 CA GLN A 25 -0.207 8.440 -8.893 1.00 0.00 C ATOM 219 C GLN A 25 0.658 9.701 -8.909 1.00 0.00 C ATOM 220 O GLN A 25 0.153 10.808 -8.728 1.00 0.00 O ATOM 221 CB GLN A 25 -0.198 7.785 -7.510 1.00 0.00 C ATOM 222 CG GLN A 25 0.004 8.830 -6.410 1.00 0.00 C ATOM 223 CD GLN A 25 -1.172 9.808 -6.362 1.00 0.00 C ATOM 224 OE1 GLN A 25 -1.744 10.183 -7.372 1.00 0.00 O ATOM 225 NE2 GLN A 25 -1.498 10.201 -5.134 1.00 0.00 N ATOM 0 H GLN A 25 0.224 6.527 -9.630 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.234 8.727 -9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.138 7.257 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.598 7.041 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.108 8.333 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.930 9.377 -6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.978 9.848 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.268 10.855 -4.995 1.00 0.00 H new ATOM 226 N LEU A 26 1.948 9.492 -9.126 1.00 0.00 N ATOM 227 CA LEU A 26 2.889 10.598 -9.168 1.00 0.00 C ATOM 228 C LEU A 26 2.249 11.780 -9.897 1.00 0.00 C ATOM 229 O LEU A 26 2.283 12.909 -9.408 1.00 0.00 O ATOM 230 CB LEU A 26 4.219 10.148 -9.776 1.00 0.00 C ATOM 231 CG LEU A 26 5.151 9.366 -8.847 1.00 0.00 C ATOM 232 CD1 LEU A 26 6.436 8.961 -9.573 1.00 0.00 C ATOM 233 CD2 LEU A 26 5.439 10.154 -7.568 1.00 0.00 C ATOM 0 H LEU A 26 2.364 8.573 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 26 3.124 10.935 -8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.006 9.530 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.750 11.031 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 26 4.645 8.447 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.080 8.407 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.188 8.333 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.956 9.855 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.103 9.576 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.915 11.101 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.504 10.348 -7.042 1.00 0.00 H new ATOM 234 N ALA A 27 1.678 11.481 -11.055 1.00 0.00 N ATOM 235 CA ALA A 27 1.031 12.504 -11.857 1.00 0.00 C ATOM 236 C ALA A 27 0.180 13.394 -10.949 1.00 0.00 C ATOM 237 O ALA A 27 -0.077 13.048 -9.798 1.00 0.00 O ATOM 238 CB ALA A 27 0.207 11.841 -12.962 1.00 0.00 C ATOM 0 H ALA A 27 1.650 10.544 -11.457 1.00 0.00 H new ATOM 0 HA ALA A 27 1.773 13.139 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.279 12.609 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.862 11.243 -13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.551 11.198 -12.515 1.00 0.00 H new ATOM 323 N TRP B 9 -11.845 -8.413 -10.598 1.00 0.00 N ATOM 324 CA TRP B 9 -11.615 -8.607 -9.177 1.00 0.00 C ATOM 325 C TRP B 9 -10.143 -8.976 -8.982 1.00 0.00 C ATOM 326 O TRP B 9 -9.798 -9.691 -8.044 1.00 0.00 O ATOM 327 CB TRP B 9 -12.574 -9.652 -8.603 1.00 0.00 C ATOM 328 CG TRP B 9 -13.963 -9.640 -9.245 1.00 0.00 C ATOM 329 CD1 TRP B 9 -15.052 -8.973 -8.841 1.00 0.00 C ATOM 330 CD2 TRP B 9 -14.370 -10.360 -10.428 1.00 0.00 C ATOM 331 NE1 TRP B 9 -16.127 -9.209 -9.674 1.00 0.00 N ATOM 332 CE2 TRP B 9 -15.699 -10.079 -10.669 1.00 0.00 C ATOM 333 CE3 TRP B 9 -13.638 -11.219 -11.266 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -16.412 -10.617 -11.747 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -14.365 -11.748 -12.339 1.00 0.00 C ATOM 336 CH2 TRP B 9 -15.704 -11.476 -12.596 1.00 0.00 C ATOM 0 HA TRP B 9 -11.820 -7.690 -8.625 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -12.135 -10.642 -8.729 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -12.679 -9.484 -7.531 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -15.085 -8.331 -7.973 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -17.064 -8.817 -9.577 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -12.597 -11.452 -11.096 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -17.453 -10.382 -11.915 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -13.849 -12.414 -13.015 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -16.196 -11.925 -13.446 1.00 0.00 H new ATOM 337 N LEU B 10 -9.316 -8.470 -9.885 1.00 0.00 N ATOM 338 CA LEU B 10 -7.889 -8.737 -9.825 1.00 0.00 C ATOM 339 C LEU B 10 -7.248 -7.831 -8.771 1.00 0.00 C ATOM 340 O LEU B 10 -6.435 -8.285 -7.967 1.00 0.00 O ATOM 341 CB LEU B 10 -7.259 -8.605 -11.213 1.00 0.00 C ATOM 342 CG LEU B 10 -7.248 -9.875 -12.068 1.00 0.00 C ATOM 343 CD1 LEU B 10 -8.671 -10.311 -12.419 1.00 0.00 C ATOM 344 CD2 LEU B 10 -6.380 -9.688 -13.314 1.00 0.00 C ATOM 0 H LEU B 10 -9.607 -7.877 -10.662 1.00 0.00 H new ATOM 0 HA LEU B 10 -7.708 -9.766 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.792 -7.827 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -6.231 -8.263 -11.093 1.00 0.00 H new ATOM 0 HG LEU B 10 -6.801 -10.679 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.635 -11.215 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -9.227 -10.511 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.167 -9.518 -12.978 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -6.389 -10.604 -13.904 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.775 -8.867 -13.912 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.357 -9.459 -13.014 1.00 0.00 H new ATOM 345 N ARG B 11 -7.639 -6.565 -8.809 1.00 0.00 N ATOM 346 CA ARG B 11 -7.113 -5.591 -7.868 1.00 0.00 C ATOM 347 C ARG B 11 -6.962 -6.220 -6.481 1.00 0.00 C ATOM 348 O ARG B 11 -5.968 -5.990 -5.796 1.00 0.00 O ATOM 349 CB ARG B 11 -8.030 -4.370 -7.769 1.00 0.00 C ATOM 350 CG ARG B 11 -9.487 -4.755 -8.034 1.00 0.00 C ATOM 351 CD ARG B 11 -10.446 -3.766 -7.369 1.00 0.00 C ATOM 352 NE ARG B 11 -11.474 -3.328 -8.339 1.00 0.00 N ATOM 353 CZ ARG B 11 -12.632 -3.985 -8.562 1.00 0.00 C ATOM 354 NH1 ARG B 11 -12.920 -5.116 -7.884 1.00 0.00 N ATOM 355 NH2 ARG B 11 -13.480 -3.503 -9.453 1.00 0.00 N ATOM 0 H ARG B 11 -8.314 -6.192 -9.477 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.137 -5.270 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -7.942 -3.924 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -7.714 -3.614 -8.488 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -9.671 -4.779 -9.108 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.676 -5.760 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -10.923 -4.233 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.893 -2.903 -6.999 1.00 0.00 H new ATOM 0 HE ARG B 11 -11.297 -2.477 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -12.260 -5.481 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -13.797 -5.606 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -13.255 -2.647 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -14.360 -3.987 -9.634 1.00 0.00 H new ATOM 356 N GLU B 12 -7.965 -7.003 -6.110 1.00 0.00 N ATOM 357 CA GLU B 12 -7.957 -7.667 -4.818 1.00 0.00 C ATOM 358 C GLU B 12 -6.570 -8.244 -4.526 1.00 0.00 C ATOM 359 O GLU B 12 -6.065 -8.121 -3.412 1.00 0.00 O ATOM 360 CB GLU B 12 -9.029 -8.757 -4.754 1.00 0.00 C ATOM 361 CG GLU B 12 -10.419 -8.175 -5.020 1.00 0.00 C ATOM 362 CD GLU B 12 -11.510 -9.069 -4.426 1.00 0.00 C ATOM 363 OE1 GLU B 12 -11.226 -10.274 -4.258 1.00 0.00 O ATOM 364 OE2 GLU B 12 -12.603 -8.525 -4.154 1.00 0.00 O ATOM 0 H GLU B 12 -8.788 -7.192 -6.682 1.00 0.00 H new ATOM 0 HA GLU B 12 -8.191 -6.929 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.809 -9.532 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.011 -9.232 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -10.488 -7.176 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -10.574 -8.070 -6.094 1.00 0.00 H new ATOM 365 N GLN B 13 -5.994 -8.861 -5.548 1.00 0.00 N ATOM 366 CA GLN B 13 -4.676 -9.457 -5.415 1.00 0.00 C ATOM 367 C GLN B 13 -3.741 -8.514 -4.656 1.00 0.00 C ATOM 368 O GLN B 13 -2.942 -8.957 -3.832 1.00 0.00 O ATOM 369 CB GLN B 13 -4.098 -9.818 -6.785 1.00 0.00 C ATOM 370 CG GLN B 13 -4.493 -11.240 -7.190 1.00 0.00 C ATOM 371 CD GLN B 13 -3.288 -12.181 -7.132 1.00 0.00 C ATOM 372 OE1 GLN B 13 -2.184 -11.843 -7.523 1.00 0.00 O ATOM 373 NE2 GLN B 13 -3.562 -13.379 -6.623 1.00 0.00 N ATOM 0 H GLN B 13 -6.416 -8.961 -6.471 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.771 -10.380 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -4.456 -9.110 -7.533 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -3.012 -9.732 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -5.277 -11.606 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -4.906 -11.233 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -4.509 -13.597 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -2.825 -14.079 -6.542 1.00 0.00 H new ATOM 374 N CYS B 14 -3.871 -7.231 -4.961 1.00 0.00 N ATOM 375 CA CYS B 14 -3.048 -6.222 -4.317 1.00 0.00 C ATOM 376 C CYS B 14 -3.332 -6.257 -2.814 1.00 0.00 C ATOM 377 O CYS B 14 -2.415 -6.411 -2.008 1.00 0.00 O ATOM 378 CB CYS B 14 -3.288 -4.832 -4.911 1.00 0.00 C ATOM 379 SG CYS B 14 -1.806 -4.042 -5.638 1.00 0.00 S ATOM 0 H CYS B 14 -4.534 -6.867 -5.646 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.995 -6.443 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.056 -4.909 -5.681 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -3.683 -4.182 -4.130 1.00 0.00 H new ATOM 380 N CYS B 15 -4.607 -6.111 -2.482 1.00 0.00 N ATOM 381 CA CYS B 15 -5.023 -6.123 -1.090 1.00 0.00 C ATOM 382 C CYS B 15 -4.729 -7.510 -0.513 1.00 0.00 C ATOM 383 O CYS B 15 -4.176 -7.628 0.579 1.00 0.00 O ATOM 384 CB CYS B 15 -6.496 -5.741 -0.936 1.00 0.00 C ATOM 385 SG CYS B 15 -6.955 -5.103 0.716 1.00 0.00 S ATOM 0 H CYS B 15 -5.365 -5.984 -3.153 1.00 0.00 H new ATOM 0 HA CYS B 15 -4.462 -5.372 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -6.741 -4.985 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.108 -6.616 -1.155 1.00 0.00 H new ATOM 386 N ASN B 16 -5.114 -8.525 -1.273 1.00 0.00 N ATOM 387 CA ASN B 16 -4.899 -9.899 -0.851 1.00 0.00 C ATOM 388 C ASN B 16 -3.539 -10.008 -0.158 1.00 0.00 C ATOM 389 O ASN B 16 -3.397 -10.735 0.825 1.00 0.00 O ATOM 390 CB ASN B 16 -4.896 -10.849 -2.050 1.00 0.00 C ATOM 391 CG ASN B 16 -6.307 -11.353 -2.355 1.00 0.00 C ATOM 392 OD1 ASN B 16 -7.264 -10.458 -2.123 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -6.515 -12.481 -2.773 1.00 0.00 N flip ATOM 0 H ASN B 16 -5.573 -8.423 -2.178 1.00 0.00 H new ATOM 0 HA ASN B 16 -5.708 -10.175 -0.174 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -4.493 -10.336 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -4.240 -11.695 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -5.735 -13.119 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -7.469 -12.786 -2.966 1.00 0.00 H new ATOM 394 N GLU B 17 -2.576 -9.276 -0.696 1.00 0.00 N ATOM 395 CA GLU B 17 -1.233 -9.281 -0.139 1.00 0.00 C ATOM 396 C GLU B 17 -1.241 -8.701 1.275 1.00 0.00 C ATOM 397 O GLU B 17 -0.657 -9.278 2.191 1.00 0.00 O ATOM 398 CB GLU B 17 -0.263 -8.515 -1.042 1.00 0.00 C ATOM 399 CG GLU B 17 0.248 -9.404 -2.177 1.00 0.00 C ATOM 400 CD GLU B 17 0.862 -10.693 -1.631 1.00 0.00 C ATOM 401 OE1 GLU B 17 1.853 -10.576 -0.879 1.00 0.00 O ATOM 402 OE2 GLU B 17 0.326 -11.768 -1.977 1.00 0.00 O ATOM 0 H GLU B 17 -2.698 -8.675 -1.511 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.888 -10.313 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.762 -7.639 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.579 -8.152 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.573 -9.646 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.992 -8.862 -2.761 1.00 0.00 H new ATOM 403 N LEU B 18 -1.911 -7.564 1.410 1.00 0.00 N ATOM 404 CA LEU B 18 -2.002 -6.898 2.698 1.00 0.00 C ATOM 405 C LEU B 18 -3.106 -7.556 3.530 1.00 0.00 C ATOM 406 O LEU B 18 -2.903 -7.868 4.702 1.00 0.00 O ATOM 407 CB LEU B 18 -2.189 -5.391 2.511 1.00 0.00 C ATOM 408 CG LEU B 18 -3.599 -4.931 2.136 1.00 0.00 C ATOM 409 CD1 LEU B 18 -4.535 -4.996 3.344 1.00 0.00 C ATOM 410 CD2 LEU B 18 -3.572 -3.538 1.506 1.00 0.00 C ATOM 0 H LEU B 18 -2.395 -7.088 0.649 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.071 -7.013 3.253 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.899 -4.892 3.436 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -1.500 -5.053 1.737 1.00 0.00 H new ATOM 0 HG LEU B 18 -3.994 -5.615 1.385 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -5.531 -4.664 3.051 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.587 -6.022 3.709 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -4.155 -4.349 4.134 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.587 -3.235 1.249 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.150 -2.826 2.215 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -2.960 -3.558 0.604 1.00 0.00 H new ATOM 411 N TYR B 19 -4.251 -7.746 2.889 1.00 0.00 N ATOM 412 CA TYR B 19 -5.387 -8.360 3.556 1.00 0.00 C ATOM 413 C TYR B 19 -5.000 -9.705 4.172 1.00 0.00 C ATOM 414 O TYR B 19 -5.200 -9.926 5.366 1.00 0.00 O ATOM 415 CB TYR B 19 -6.436 -8.595 2.467 1.00 0.00 C ATOM 416 CG TYR B 19 -7.822 -8.045 2.810 1.00 0.00 C ATOM 417 CD1 TYR B 19 -7.941 -6.878 3.537 1.00 0.00 C ATOM 418 CD2 TYR B 19 -8.953 -8.716 2.393 1.00 0.00 C ATOM 419 CE1 TYR B 19 -9.245 -6.360 3.860 1.00 0.00 C ATOM 420 CE2 TYR B 19 -10.259 -8.198 2.716 1.00 0.00 C ATOM 421 CZ TYR B 19 -10.340 -7.046 3.433 1.00 0.00 C ATOM 422 OH TYR B 19 -11.571 -6.557 3.738 1.00 0.00 O ATOM 0 H TYR B 19 -4.416 -7.486 1.917 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.753 -7.721 4.360 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -6.093 -8.135 1.541 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -6.517 -9.666 2.280 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -7.056 -6.353 3.864 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.860 -9.630 1.824 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.352 -5.448 4.428 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -11.152 -8.713 2.396 1.00 0.00 H new ATOM 0 HH TYR B 19 -11.551 -5.578 3.708 1.00 0.00 H new ATOM 423 N GLN B 20 -4.451 -10.570 3.331 1.00 0.00 N ATOM 424 CA GLN B 20 -4.033 -11.888 3.779 1.00 0.00 C ATOM 425 C GLN B 20 -3.418 -11.803 5.177 1.00 0.00 C ATOM 426 O GLN B 20 -3.621 -12.691 6.004 1.00 0.00 O ATOM 427 CB GLN B 20 -3.056 -12.520 2.787 1.00 0.00 C ATOM 428 CG GLN B 20 -3.803 -13.256 1.674 1.00 0.00 C ATOM 429 CD GLN B 20 -3.529 -14.761 1.732 1.00 0.00 C ATOM 430 OE1 GLN B 20 -3.119 -15.381 0.765 1.00 0.00 O ATOM 431 NE2 GLN B 20 -3.778 -15.310 2.917 1.00 0.00 N ATOM 0 H GLN B 20 -4.286 -10.384 2.342 1.00 0.00 H new ATOM 0 HA GLN B 20 -4.913 -12.529 3.829 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -2.421 -11.747 2.354 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -2.400 -13.215 3.311 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -4.874 -13.074 1.767 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -3.496 -12.864 0.704 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -4.120 -14.732 3.685 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -3.627 -16.309 3.058 1.00 0.00 H new ATOM 432 N GLU B 21 -2.678 -10.727 5.399 1.00 0.00 N ATOM 433 CA GLU B 21 -2.032 -10.514 6.683 1.00 0.00 C ATOM 434 C GLU B 21 -2.947 -9.714 7.612 1.00 0.00 C ATOM 435 O GLU B 21 -4.170 -9.805 7.513 1.00 0.00 O ATOM 436 CB GLU B 21 -0.682 -9.815 6.508 1.00 0.00 C ATOM 437 CG GLU B 21 0.421 -10.557 7.266 1.00 0.00 C ATOM 438 CD GLU B 21 0.016 -10.805 8.720 1.00 0.00 C ATOM 439 OE1 GLU B 21 -0.784 -11.711 8.995 1.00 0.00 O ATOM 440 OE2 GLU B 21 0.565 -10.016 9.581 1.00 0.00 O ATOM 0 H GLU B 21 -2.511 -9.993 4.711 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.845 -11.486 7.139 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.429 -9.764 5.449 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.750 -8.789 6.870 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.628 -11.508 6.775 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.342 -9.976 7.236 1.00 0.00 H new ATOM 441 N ASP B 22 -2.320 -8.949 8.494 1.00 0.00 N ATOM 442 CA ASP B 22 -3.063 -8.135 9.440 1.00 0.00 C ATOM 443 C ASP B 22 -3.146 -6.699 8.915 1.00 0.00 C ATOM 444 O ASP B 22 -2.121 -6.055 8.696 1.00 0.00 O ATOM 445 CB ASP B 22 -2.368 -8.101 10.803 1.00 0.00 C ATOM 446 CG ASP B 22 -1.404 -9.259 11.066 1.00 0.00 C ATOM 447 OD1 ASP B 22 -1.840 -10.422 10.716 1.00 0.00 O ATOM 448 OD2 ASP B 22 -0.292 -9.062 11.579 1.00 0.00 O ATOM 0 H ASP B 22 -1.306 -8.876 8.573 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.056 -8.570 9.553 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -1.819 -7.164 10.891 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -3.130 -8.098 11.583 1.00 0.00 H new ATOM 449 N GLN B 23 -4.375 -6.242 8.730 1.00 0.00 N ATOM 450 CA GLN B 23 -4.605 -4.896 8.235 1.00 0.00 C ATOM 451 C GLN B 23 -3.642 -3.912 8.905 1.00 0.00 C ATOM 452 O GLN B 23 -3.399 -2.825 8.384 1.00 0.00 O ATOM 453 CB GLN B 23 -6.059 -4.472 8.451 1.00 0.00 C ATOM 454 CG GLN B 23 -6.539 -4.856 9.853 1.00 0.00 C ATOM 455 CD GLN B 23 -6.799 -3.611 10.704 1.00 0.00 C ATOM 456 OE1 GLN B 23 -7.114 -2.543 10.207 1.00 0.00 O ATOM 457 NE2 GLN B 23 -6.649 -3.808 12.011 1.00 0.00 N ATOM 0 H GLN B 23 -5.222 -6.780 8.914 1.00 0.00 H new ATOM 0 HA GLN B 23 -4.415 -4.888 7.162 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.152 -3.395 8.313 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.695 -4.945 7.703 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.452 -5.448 9.779 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.791 -5.483 10.338 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.383 -4.729 12.361 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.800 -3.038 12.663 1.00 0.00 H new ATOM 458 N VAL B 24 -3.121 -4.330 10.048 1.00 0.00 N ATOM 459 CA VAL B 24 -2.190 -3.500 10.794 1.00 0.00 C ATOM 460 C VAL B 24 -1.224 -2.822 9.820 1.00 0.00 C ATOM 461 O VAL B 24 -0.718 -1.735 10.097 1.00 0.00 O ATOM 462 CB VAL B 24 -1.476 -4.340 11.856 1.00 0.00 C ATOM 463 CG1 VAL B 24 0.030 -4.397 11.588 1.00 0.00 C ATOM 464 CG2 VAL B 24 -1.763 -3.806 13.260 1.00 0.00 C ATOM 0 H VAL B 24 -3.325 -5.233 10.477 1.00 0.00 H new ATOM 0 HA VAL B 24 -2.723 -2.711 11.325 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.865 -5.356 11.798 1.00 0.00 H new ATOM 0 HG11 VAL B 24 0.514 -5.000 12.357 1.00 0.00 H new ATOM 0 HG12 VAL B 24 0.209 -4.844 10.610 1.00 0.00 H new ATOM 0 HG13 VAL B 24 0.441 -3.388 11.606 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -1.244 -4.420 13.996 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -1.414 -2.776 13.336 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -2.836 -3.840 13.450 1.00 0.00 H new ATOM 465 N CYS B 25 -0.999 -3.490 8.698 1.00 0.00 N ATOM 466 CA CYS B 25 -0.103 -2.965 7.682 1.00 0.00 C ATOM 467 C CYS B 25 -0.930 -2.641 6.436 1.00 0.00 C ATOM 468 O CYS B 25 -0.761 -3.270 5.392 1.00 0.00 O ATOM 469 CB CYS B 25 1.035 -3.939 7.373 1.00 0.00 C ATOM 470 SG CYS B 25 1.959 -4.528 8.839 1.00 0.00 S ATOM 0 H CYS B 25 -1.422 -4.390 8.470 1.00 0.00 H new ATOM 0 HA CYS B 25 0.374 -2.056 8.048 1.00 0.00 H new ATOM 0 HB2 CYS B 25 0.624 -4.802 6.849 1.00 0.00 H new ATOM 0 HB3 CYS B 25 1.734 -3.455 6.691 1.00 0.00 H new ATOM 471 N VAL B 26 -1.806 -1.657 6.585 1.00 0.00 N ATOM 472 CA VAL B 26 -2.658 -1.241 5.485 1.00 0.00 C ATOM 473 C VAL B 26 -2.130 0.072 4.904 1.00 0.00 C ATOM 474 O VAL B 26 -1.370 0.066 3.937 1.00 0.00 O ATOM 475 CB VAL B 26 -4.111 -1.145 5.956 1.00 0.00 C ATOM 476 CG1 VAL B 26 -4.877 -0.087 5.160 1.00 0.00 C ATOM 477 CG2 VAL B 26 -4.806 -2.505 5.869 1.00 0.00 C ATOM 0 H VAL B 26 -1.943 -1.136 7.451 1.00 0.00 H new ATOM 0 HA VAL B 26 -2.638 -1.981 4.685 1.00 0.00 H new ATOM 0 HB VAL B 26 -4.104 -0.838 7.002 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.907 -0.039 5.515 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.401 0.885 5.295 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.870 -0.351 4.103 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.837 -2.409 6.209 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.796 -2.853 4.836 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.281 -3.223 6.499 1.00 0.00 H new ATOM 478 N CYS B 27 -2.553 1.167 5.520 1.00 0.00 N ATOM 479 CA CYS B 27 -2.132 2.484 5.076 1.00 0.00 C ATOM 480 C CYS B 27 -0.628 2.616 5.323 1.00 0.00 C ATOM 481 O CYS B 27 0.061 3.339 4.605 1.00 0.00 O ATOM 482 CB CYS B 27 -2.923 3.595 5.771 1.00 0.00 C ATOM 483 SG CYS B 27 -2.617 5.278 5.120 1.00 0.00 S ATOM 0 H CYS B 27 -3.183 1.168 6.322 1.00 0.00 H new ATOM 0 HA CYS B 27 -2.336 2.594 4.011 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -3.987 3.374 5.682 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -2.682 3.583 6.834 1.00 0.00 H new ATOM 484 N PRO B 28 -0.150 1.888 6.367 1.00 0.00 N ATOM 485 CA PRO B 28 1.259 1.917 6.717 1.00 0.00 C ATOM 486 C PRO B 28 2.088 1.099 5.724 1.00 0.00 C ATOM 487 O PRO B 28 3.317 1.152 5.745 1.00 0.00 O ATOM 488 CB PRO B 28 1.324 1.371 8.135 1.00 0.00 C ATOM 489 CG PRO B 28 0.018 0.627 8.355 1.00 0.00 C ATOM 490 CD PRO B 28 -0.937 1.022 7.240 1.00 0.00 C ATOM 0 HA PRO B 28 1.683 2.920 6.670 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.178 0.705 8.258 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.441 2.177 8.859 1.00 0.00 H new ATOM 0 HG2 PRO B 28 0.187 -0.450 8.350 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -0.406 0.878 9.327 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.303 0.147 6.704 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.810 1.544 7.633 1.00 0.00 H new ATOM 491 N THR B 29 1.382 0.364 4.878 1.00 0.00 N ATOM 492 CA THR B 29 2.036 -0.464 3.880 1.00 0.00 C ATOM 493 C THR B 29 2.388 0.369 2.646 1.00 0.00 C ATOM 494 O THR B 29 3.427 0.153 2.023 1.00 0.00 O ATOM 495 CB THR B 29 1.119 -1.649 3.572 1.00 0.00 C ATOM 496 OG1 THR B 29 0.036 -1.496 4.486 1.00 0.00 O ATOM 497 CG2 THR B 29 1.745 -2.990 3.958 1.00 0.00 C ATOM 0 H THR B 29 0.363 0.325 4.863 1.00 0.00 H new ATOM 0 HA THR B 29 2.983 -0.857 4.251 1.00 0.00 H new ATOM 0 HB THR B 29 0.877 -1.654 2.509 1.00 0.00 H new ATOM 0 HG1 THR B 29 -0.573 -2.259 4.402 1.00 0.00 H new ATOM 0 HG21 THR B 29 1.053 -3.797 3.718 1.00 0.00 H new ATOM 0 HG22 THR B 29 2.673 -3.131 3.404 1.00 0.00 H new ATOM 0 HG23 THR B 29 1.956 -2.999 5.027 1.00 0.00 H new ATOM 498 N LEU B 30 1.504 1.302 2.328 1.00 0.00 N ATOM 499 CA LEU B 30 1.708 2.168 1.180 1.00 0.00 C ATOM 500 C LEU B 30 2.655 3.306 1.566 1.00 0.00 C ATOM 501 O LEU B 30 3.600 3.606 0.839 1.00 0.00 O ATOM 502 CB LEU B 30 0.366 2.646 0.624 1.00 0.00 C ATOM 503 CG LEU B 30 -0.749 1.600 0.568 1.00 0.00 C ATOM 504 CD1 LEU B 30 -0.728 0.848 -0.763 1.00 0.00 C ATOM 505 CD2 LEU B 30 -0.670 0.650 1.765 1.00 0.00 C ATOM 0 H LEU B 30 0.643 1.478 2.846 1.00 0.00 H new ATOM 0 HA LEU B 30 2.185 1.618 0.369 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.021 3.483 1.231 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.529 3.029 -0.384 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.706 2.117 0.630 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.530 0.110 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.869 1.554 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU B 30 0.231 0.343 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -1.474 -0.084 1.701 1.00 0.00 H new ATOM 0 HD22 LEU B 30 0.291 0.136 1.759 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -0.771 1.220 2.689 1.00 0.00 H new ATOM 506 N LYS B 31 2.368 3.909 2.711 1.00 0.00 N ATOM 507 CA LYS B 31 3.181 5.007 3.203 1.00 0.00 C ATOM 508 C LYS B 31 4.653 4.724 2.893 1.00 0.00 C ATOM 509 O LYS B 31 5.313 5.518 2.225 1.00 0.00 O ATOM 510 CB LYS B 31 2.902 5.258 4.686 1.00 0.00 C ATOM 511 CG LYS B 31 1.683 6.163 4.870 1.00 0.00 C ATOM 512 CD LYS B 31 1.718 6.862 6.231 1.00 0.00 C ATOM 513 CE LYS B 31 1.012 6.022 7.297 1.00 0.00 C ATOM 514 NZ LYS B 31 1.810 5.991 8.543 1.00 0.00 N ATOM 0 H LYS B 31 1.583 3.657 3.312 1.00 0.00 H new ATOM 0 HA LYS B 31 2.919 5.934 2.692 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.734 4.308 5.194 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.774 5.718 5.151 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.656 6.908 4.075 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.771 5.572 4.784 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.752 7.037 6.527 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.238 7.838 6.155 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.025 6.437 7.500 1.00 0.00 H new ATOM 0 HE3 LYS B 31 0.862 5.007 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.317 5.417 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.743 5.575 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.931 6.960 8.902 1.00 0.00 H new ATOM 515 N GLN B 32 5.123 3.592 3.394 1.00 0.00 N ATOM 516 CA GLN B 32 6.504 3.195 3.179 1.00 0.00 C ATOM 517 C GLN B 32 6.828 3.188 1.683 1.00 0.00 C ATOM 518 O GLN B 32 7.943 3.523 1.284 1.00 0.00 O ATOM 519 CB GLN B 32 6.786 1.828 3.807 1.00 0.00 C ATOM 520 CG GLN B 32 7.728 1.959 5.005 1.00 0.00 C ATOM 521 CD GLN B 32 9.185 1.754 4.582 1.00 0.00 C ATOM 522 OE1 GLN B 32 9.831 2.636 4.041 1.00 0.00 O ATOM 523 NE2 GLN B 32 9.663 0.544 4.859 1.00 0.00 N ATOM 0 H GLN B 32 4.572 2.937 3.948 1.00 0.00 H new ATOM 0 HA GLN B 32 7.151 3.923 3.668 1.00 0.00 H new ATOM 0 HB2 GLN B 32 5.849 1.370 4.125 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.228 1.166 3.063 1.00 0.00 H new ATOM 0 HG2 GLN B 32 7.612 2.944 5.457 1.00 0.00 H new ATOM 0 HG3 GLN B 32 7.460 1.225 5.765 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.067 -0.148 5.314 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.625 0.308 4.617 1.00 0.00 H new ATOM 524 N ALA B 33 5.833 2.805 0.896 1.00 0.00 N ATOM 525 CA ALA B 33 5.998 2.751 -0.546 1.00 0.00 C ATOM 526 C ALA B 33 6.406 4.133 -1.061 1.00 0.00 C ATOM 527 O ALA B 33 7.462 4.285 -1.671 1.00 0.00 O ATOM 528 CB ALA B 33 4.705 2.248 -1.189 1.00 0.00 C ATOM 0 H ALA B 33 4.910 2.529 1.230 1.00 0.00 H new ATOM 0 HA ALA B 33 6.790 2.052 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.829 2.207 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.475 1.251 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.888 2.926 -0.942 1.00 0.00 H new ATOM 529 N ALA B 34 5.545 5.105 -0.795 1.00 0.00 N ATOM 530 CA ALA B 34 5.803 6.469 -1.223 1.00 0.00 C ATOM 531 C ALA B 34 7.281 6.799 -1.002 1.00 0.00 C ATOM 532 O ALA B 34 7.903 7.465 -1.829 1.00 0.00 O ATOM 533 CB ALA B 34 4.874 7.424 -0.472 1.00 0.00 C ATOM 0 H ALA B 34 4.669 4.975 -0.289 1.00 0.00 H new ATOM 0 HA ALA B 34 5.596 6.582 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA B 34 5.068 8.447 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.837 7.166 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.055 7.340 0.600 1.00 0.00 H new ATOM 534 N LYS B 35 7.800 6.316 0.117 1.00 0.00 N ATOM 535 CA LYS B 35 9.194 6.552 0.457 1.00 0.00 C ATOM 536 C LYS B 35 10.053 6.404 -0.800 1.00 0.00 C ATOM 537 O LYS B 35 10.907 7.245 -1.074 1.00 0.00 O ATOM 538 CB LYS B 35 9.625 5.640 1.608 1.00 0.00 C ATOM 539 CG LYS B 35 10.914 6.149 2.257 1.00 0.00 C ATOM 540 CD LYS B 35 11.317 5.266 3.439 1.00 0.00 C ATOM 541 CE LYS B 35 12.297 5.998 4.360 1.00 0.00 C ATOM 542 NZ LYS B 35 11.671 6.267 5.674 1.00 0.00 N ATOM 0 H LYS B 35 7.282 5.763 0.800 1.00 0.00 H new ATOM 0 HA LYS B 35 9.332 7.571 0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.832 5.591 2.355 1.00 0.00 H new ATOM 0 HB3 LYS B 35 9.776 4.626 1.237 1.00 0.00 H new ATOM 0 HG2 LYS B 35 11.716 6.164 1.519 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.774 7.175 2.596 1.00 0.00 H new ATOM 0 HD2 LYS B 35 10.429 4.978 4.002 1.00 0.00 H new ATOM 0 HD3 LYS B 35 11.774 4.347 3.072 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.196 5.397 4.495 1.00 0.00 H new ATOM 0 HE3 LYS B 35 12.607 6.936 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 12.349 6.764 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 10.826 6.859 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 11.397 5.368 6.119 1.00 0.00 H new ATOM 543 N SER B 36 9.797 5.329 -1.530 1.00 0.00 N ATOM 544 CA SER B 36 10.536 5.060 -2.752 1.00 0.00 C ATOM 545 C SER B 36 9.996 5.926 -3.892 1.00 0.00 C ATOM 546 O SER B 36 10.763 6.585 -4.592 1.00 0.00 O ATOM 547 CB SER B 36 10.460 3.579 -3.128 1.00 0.00 C ATOM 548 OG SER B 36 10.992 2.740 -2.106 1.00 0.00 O ATOM 0 H SER B 36 9.088 4.633 -1.299 1.00 0.00 H new ATOM 0 HA SER B 36 11.583 5.309 -2.580 1.00 0.00 H new ATOM 0 HB2 SER B 36 9.422 3.306 -3.317 1.00 0.00 H new ATOM 0 HB3 SER B 36 11.008 3.412 -4.056 1.00 0.00 H new ATOM 0 HG SER B 36 10.923 1.803 -2.384 1.00 0.00 H new ATOM 549 N VAL B 37 8.680 5.897 -4.041 1.00 0.00 N ATOM 550 CA VAL B 37 8.028 6.671 -5.084 1.00 0.00 C ATOM 551 C VAL B 37 8.631 8.077 -5.122 1.00 0.00 C ATOM 552 O VAL B 37 9.474 8.372 -5.968 1.00 0.00 O ATOM 553 CB VAL B 37 6.514 6.676 -4.864 1.00 0.00 C ATOM 554 CG1 VAL B 37 5.809 7.533 -5.917 1.00 0.00 C ATOM 555 CG2 VAL B 37 5.958 5.251 -4.854 1.00 0.00 C ATOM 0 H VAL B 37 8.047 5.350 -3.457 1.00 0.00 H new ATOM 0 HA VAL B 37 8.199 6.217 -6.060 1.00 0.00 H new ATOM 0 HB VAL B 37 6.319 7.119 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL B 37 4.734 7.519 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.174 8.558 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL B 37 6.016 7.133 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL B 37 4.880 5.282 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL B 37 6.171 4.771 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.426 4.683 -4.050 1.00 0.00 H new ATOM 556 N ARG B 38 8.175 8.907 -4.195 1.00 0.00 N ATOM 557 CA ARG B 38 8.659 10.275 -4.112 1.00 0.00 C ATOM 558 C ARG B 38 10.043 10.388 -4.755 1.00 0.00 C ATOM 559 O ARG B 38 10.164 10.805 -5.905 1.00 0.00 O ATOM 560 CB ARG B 38 8.739 10.743 -2.658 1.00 0.00 C ATOM 561 CG ARG B 38 9.308 12.160 -2.569 1.00 0.00 C ATOM 562 CD ARG B 38 10.372 12.255 -1.474 1.00 0.00 C ATOM 563 NE ARG B 38 11.719 12.063 -2.058 1.00 0.00 N ATOM 564 CZ ARG B 38 12.480 13.064 -2.552 1.00 0.00 C ATOM 565 NH1 ARG B 38 12.032 14.337 -2.535 1.00 0.00 N ATOM 566 NH2 ARG B 38 13.668 12.778 -3.050 1.00 0.00 N ATOM 0 H ARG B 38 7.476 8.659 -3.495 1.00 0.00 H new ATOM 0 HA ARG B 38 7.953 10.910 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG B 38 7.746 10.717 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG B 38 9.366 10.059 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG B 38 9.742 12.443 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG B 38 8.504 12.866 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG B 38 10.315 13.227 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG B 38 10.187 11.500 -0.710 1.00 0.00 H new ATOM 0 HE ARG B 38 12.096 11.116 -2.089 1.00 0.00 H new ATOM 0 HH11 ARG B 38 11.113 14.549 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG B 38 12.613 15.087 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG B 38 13.999 11.813 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG B 38 14.255 13.522 -3.427 1.00 0.00 H new ATOM 567 N VAL B 39 11.051 10.010 -3.984 1.00 0.00 N ATOM 568 CA VAL B 39 12.421 10.063 -4.462 1.00 0.00 C ATOM 569 C VAL B 39 12.439 10.644 -5.879 1.00 0.00 C ATOM 570 O VAL B 39 12.163 9.938 -6.847 1.00 0.00 O ATOM 571 CB VAL B 39 13.061 8.677 -4.378 1.00 0.00 C ATOM 572 CG1 VAL B 39 12.637 7.956 -3.096 1.00 0.00 C ATOM 573 CG2 VAL B 39 12.725 7.841 -5.614 1.00 0.00 C ATOM 0 H VAL B 39 10.946 9.665 -3.030 1.00 0.00 H new ATOM 0 HA VAL B 39 13.019 10.720 -3.831 1.00 0.00 H new ATOM 0 HB VAL B 39 14.143 8.808 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL B 39 13.105 6.972 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL B 39 12.950 8.539 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL B 39 11.553 7.842 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL B 39 13.193 6.860 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL B 39 11.644 7.722 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL B 39 13.098 8.344 -6.506 1.00 0.00 H new ATOM 574 N GLN B 40 12.767 11.925 -5.954 1.00 0.00 N ATOM 575 CA GLN B 40 12.825 12.608 -7.235 1.00 0.00 C ATOM 576 C GLN B 40 12.937 11.594 -8.374 1.00 0.00 C ATOM 577 O GLN B 40 11.932 11.048 -8.826 1.00 0.00 O ATOM 578 CB GLN B 40 13.985 13.606 -7.273 1.00 0.00 C ATOM 579 CG GLN B 40 15.184 13.083 -6.479 1.00 0.00 C ATOM 580 CD GLN B 40 16.499 13.591 -7.074 1.00 0.00 C ATOM 581 OE1 GLN B 40 16.656 14.757 -7.397 1.00 0.00 O ATOM 582 NE2 GLN B 40 17.432 12.652 -7.201 1.00 0.00 N ATOM 0 H GLN B 40 12.995 12.508 -5.149 1.00 0.00 H new ATOM 0 HA GLN B 40 11.901 13.170 -7.366 1.00 0.00 H new ATOM 0 HB2 GLN B 40 14.280 13.787 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN B 40 13.661 14.562 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN B 40 15.104 13.402 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN B 40 15.178 11.993 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN B 40 17.235 11.694 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN B 40 18.345 12.889 -7.589 1.00 0.00 H new ATOM 583 N GLY B 41 14.170 11.369 -8.806 1.00 0.00 N ATOM 584 CA GLY B 41 14.426 10.430 -9.883 1.00 0.00 C ATOM 585 C GLY B 41 13.621 10.793 -11.131 1.00 0.00 C ATOM 586 O GLY B 41 14.141 11.433 -12.045 1.00 0.00 O ATOM 0 H GLY B 41 15.002 11.822 -8.428 1.00 0.00 H new ATOM 0 HA2 GLY B 41 15.490 10.426 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY B 41 14.167 9.422 -9.560 1.00 0.00 H new ATOM 587 N GLN B 42 12.366 10.369 -11.131 1.00 0.00 N ATOM 588 CA GLN B 42 11.484 10.643 -12.253 1.00 0.00 C ATOM 589 C GLN B 42 10.410 11.656 -11.850 1.00 0.00 C ATOM 590 O GLN B 42 9.588 12.055 -12.673 1.00 0.00 O ATOM 591 CB GLN B 42 10.851 9.353 -12.780 1.00 0.00 C ATOM 592 CG GLN B 42 11.315 9.058 -14.208 1.00 0.00 C ATOM 593 CD GLN B 42 12.836 8.902 -14.269 1.00 0.00 C ATOM 594 OE1 GLN B 42 13.460 8.309 -13.405 1.00 0.00 O ATOM 595 NE2 GLN B 42 13.396 9.469 -15.334 1.00 0.00 N ATOM 0 H GLN B 42 11.939 9.838 -10.372 1.00 0.00 H new ATOM 0 HA GLN B 42 12.077 11.074 -13.059 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.117 8.521 -12.128 1.00 0.00 H new ATOM 0 HB3 GLN B 42 9.765 9.441 -12.758 1.00 0.00 H new ATOM 0 HG2 GLN B 42 10.838 8.147 -14.568 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.002 9.865 -14.870 1.00 0.00 H new ATOM 0 HE21 GLN B 42 12.815 9.950 -16.020 1.00 0.00 H new ATOM 0 HE22 GLN B 42 14.407 9.422 -15.464 1.00 0.00 H new ATOM 596 N HIS B 43 10.452 12.041 -10.583 1.00 0.00 N ATOM 597 CA HIS B 43 9.493 12.999 -10.061 1.00 0.00 C ATOM 598 C HIS B 43 10.203 13.975 -9.120 1.00 0.00 C ATOM 599 O HIS B 43 9.915 14.011 -7.925 1.00 0.00 O ATOM 600 CB HIS B 43 8.317 12.283 -9.393 1.00 0.00 C ATOM 601 CG HIS B 43 7.029 13.072 -9.407 1.00 0.00 C ATOM 602 ND1 HIS B 43 6.475 13.888 -8.466 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 6.159 13.067 -10.482 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 5.328 14.357 -8.940 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 5.130 13.849 -10.191 1.00 0.00 N flip ATOM 0 H HIS B 43 11.135 11.707 -9.903 1.00 0.00 H new ATOM 0 HA HIS B 43 9.071 13.580 -10.881 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.153 11.330 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.582 12.057 -8.360 1.00 0.00 H new ATOM 0 HD1 HIS B 43 6.875 14.102 -7.552 1.00 0.00 H new ATOM 0 HD2 HIS B 43 6.295 12.519 -11.402 1.00 0.00 H new ATOM 0 HE1 HIS B 43 4.661 15.030 -8.421 1.00 0.00 H new ATOM 606 N GLY B 44 11.116 14.743 -9.695 1.00 0.00 N ATOM 607 CA GLY B 44 11.869 15.716 -8.924 1.00 0.00 C ATOM 608 C GLY B 44 11.106 16.125 -7.662 1.00 0.00 C ATOM 609 O GLY B 44 11.242 15.489 -6.618 1.00 0.00 O ATOM 0 H GLY B 44 11.351 14.711 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY B 44 12.837 15.297 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY B 44 12.066 16.596 -9.536 1.00 0.00 H new ATOM 610 N PRO B 45 10.302 17.212 -7.805 1.00 0.00 N ATOM 611 CA PRO B 45 9.517 17.714 -6.688 1.00 0.00 C ATOM 612 C PRO B 45 8.311 16.812 -6.418 1.00 0.00 C ATOM 613 O PRO B 45 7.870 16.078 -7.301 1.00 0.00 O ATOM 614 CB PRO B 45 9.125 19.127 -7.087 1.00 0.00 C ATOM 615 CG PRO B 45 9.306 19.200 -8.594 1.00 0.00 C ATOM 616 CD PRO B 45 10.117 17.990 -9.027 1.00 0.00 C ATOM 0 HA PRO B 45 10.073 17.719 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO B 45 8.093 19.340 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO B 45 9.751 19.863 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO B 45 8.338 19.209 -9.094 1.00 0.00 H new ATOM 0 HG3 PRO B 45 9.817 20.121 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO B 45 9.592 17.413 -9.788 1.00 0.00 H new ATOM 0 HD3 PRO B 45 11.074 18.287 -9.456 1.00 0.00 H new ATOM 617 N PHE B 46 7.811 16.897 -5.194 1.00 0.00 N ATOM 618 CA PHE B 46 6.665 16.098 -4.796 1.00 0.00 C ATOM 619 C PHE B 46 6.198 16.472 -3.388 1.00 0.00 C ATOM 620 O PHE B 46 6.764 17.365 -2.759 1.00 0.00 O ATOM 621 CB PHE B 46 7.115 14.636 -4.800 1.00 0.00 C ATOM 622 CG PHE B 46 6.003 13.643 -5.147 1.00 0.00 C ATOM 623 CD1 PHE B 46 5.058 13.975 -6.066 1.00 0.00 C ATOM 624 CD2 PHE B 46 5.961 12.429 -4.535 1.00 0.00 C ATOM 625 CE1 PHE B 46 4.026 13.055 -6.387 1.00 0.00 C ATOM 626 CE2 PHE B 46 4.929 11.508 -4.857 1.00 0.00 C ATOM 627 CZ PHE B 46 3.983 11.840 -5.776 1.00 0.00 C ATOM 0 H PHE B 46 8.179 17.508 -4.464 1.00 0.00 H new ATOM 0 HA PHE B 46 5.836 16.270 -5.482 1.00 0.00 H new ATOM 0 HB2 PHE B 46 7.929 14.519 -5.516 1.00 0.00 H new ATOM 0 HB3 PHE B 46 7.516 14.387 -3.818 1.00 0.00 H new ATOM 0 HD1 PHE B 46 5.092 14.939 -6.552 1.00 0.00 H new ATOM 0 HD2 PHE B 46 6.712 12.166 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE B 46 3.275 13.319 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE B 46 4.895 10.544 -4.372 1.00 0.00 H new ATOM 0 HZ PHE B 46 3.198 11.140 -6.021 1.00 0.00 H new ATOM 628 N GLN B 47 5.170 15.770 -2.934 1.00 0.00 N ATOM 629 CA GLN B 47 4.620 16.018 -1.611 1.00 0.00 C ATOM 630 C GLN B 47 4.568 14.717 -0.807 1.00 0.00 C ATOM 631 O GLN B 47 3.503 14.315 -0.340 1.00 0.00 O ATOM 632 CB GLN B 47 3.236 16.661 -1.705 1.00 0.00 C ATOM 633 CG GLN B 47 3.173 17.663 -2.859 1.00 0.00 C ATOM 634 CD GLN B 47 1.743 18.159 -3.078 1.00 0.00 C ATOM 635 OE1 GLN B 47 0.790 17.396 -3.099 1.00 0.00 O ATOM 636 NE2 GLN B 47 1.645 19.475 -3.240 1.00 0.00 N ATOM 0 H GLN B 47 4.703 15.030 -3.458 1.00 0.00 H new ATOM 0 HA GLN B 47 5.274 16.718 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN B 47 2.481 15.888 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN B 47 3.001 17.165 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.826 18.509 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.543 17.196 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.483 20.056 -3.211 1.00 0.00 H new ATOM 0 HE22 GLN B 47 0.732 19.903 -3.393 1.00 0.00 H new ATOM 637 N SER B 48 5.730 14.095 -0.670 1.00 0.00 N ATOM 638 CA SER B 48 5.829 12.850 0.070 1.00 0.00 C ATOM 639 C SER B 48 4.926 12.899 1.303 1.00 0.00 C ATOM 640 O SER B 48 4.314 11.898 1.670 1.00 0.00 O ATOM 641 CB SER B 48 7.276 12.567 0.481 1.00 0.00 C ATOM 642 OG SER B 48 7.395 12.329 1.882 1.00 0.00 O ATOM 0 H SER B 48 6.611 14.431 -1.059 1.00 0.00 H new ATOM 0 HA SER B 48 5.499 12.039 -0.580 1.00 0.00 H new ATOM 0 HB2 SER B 48 7.646 11.700 -0.067 1.00 0.00 H new ATOM 0 HB3 SER B 48 7.904 13.413 0.202 1.00 0.00 H new ATOM 0 HG SER B 48 8.332 12.151 2.105 1.00 0.00 H new ATOM 643 N THR B 49 4.872 14.076 1.910 1.00 0.00 N ATOM 644 CA THR B 49 4.053 14.269 3.095 1.00 0.00 C ATOM 645 C THR B 49 2.569 14.160 2.742 1.00 0.00 C ATOM 646 O THR B 49 1.824 13.431 3.396 1.00 0.00 O ATOM 647 CB THR B 49 4.432 15.615 3.717 1.00 0.00 C ATOM 648 OG1 THR B 49 5.227 15.265 4.846 1.00 0.00 O ATOM 649 CG2 THR B 49 3.228 16.343 4.318 1.00 0.00 C ATOM 0 H THR B 49 5.382 14.905 1.604 1.00 0.00 H new ATOM 0 HA THR B 49 4.237 13.489 3.834 1.00 0.00 H new ATOM 0 HB THR B 49 4.896 16.247 2.959 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.517 16.080 5.307 1.00 0.00 H new ATOM 0 HG21 THR B 49 3.553 17.292 4.746 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.490 16.530 3.538 1.00 0.00 H new ATOM 0 HG23 THR B 49 2.783 15.727 5.099 1.00 0.00 H new ATOM 650 N ARG B 50 2.184 14.894 1.709 1.00 0.00 N ATOM 651 CA ARG B 50 0.801 14.888 1.261 1.00 0.00 C ATOM 652 C ARG B 50 0.515 13.630 0.440 1.00 0.00 C ATOM 653 O ARG B 50 -0.319 12.811 0.822 1.00 0.00 O ATOM 654 CB ARG B 50 0.492 16.124 0.413 1.00 0.00 C ATOM 655 CG ARG B 50 -0.910 16.659 0.715 1.00 0.00 C ATOM 656 CD ARG B 50 -0.844 18.075 1.290 1.00 0.00 C ATOM 657 NE ARG B 50 -2.206 18.639 1.406 1.00 0.00 N ATOM 658 CZ ARG B 50 -2.873 19.207 0.392 1.00 0.00 C ATOM 659 NH1 ARG B 50 -2.306 19.290 -0.820 1.00 0.00 N ATOM 660 NH2 ARG B 50 -4.107 19.692 0.588 1.00 0.00 N ATOM 0 H ARG B 50 2.805 15.497 1.169 1.00 0.00 H new ATOM 0 HA ARG B 50 0.165 14.900 2.146 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.232 16.900 0.611 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.569 15.872 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -1.507 16.660 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -1.411 15.998 1.423 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.365 18.057 2.269 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.233 18.709 0.648 1.00 0.00 H new ATOM 0 HE ARG B 50 -2.667 18.593 2.315 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.367 18.921 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.814 19.722 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -4.539 19.629 1.510 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -4.614 20.124 -0.185 1.00 0.00 H new ATOM 661 N ILE B 51 1.222 13.515 -0.674 1.00 0.00 N ATOM 662 CA ILE B 51 1.055 12.370 -1.554 1.00 0.00 C ATOM 663 C ILE B 51 0.838 11.112 -0.710 1.00 0.00 C ATOM 664 O ILE B 51 0.092 10.217 -1.102 1.00 0.00 O ATOM 665 CB ILE B 51 2.231 12.264 -2.526 1.00 0.00 C ATOM 666 CG1 ILE B 51 1.983 11.173 -3.570 1.00 0.00 C ATOM 667 CG2 ILE B 51 3.546 12.047 -1.773 1.00 0.00 C ATOM 668 CD1 ILE B 51 1.172 11.719 -4.748 1.00 0.00 C ATOM 0 H ILE B 51 1.913 14.197 -0.988 1.00 0.00 H new ATOM 0 HA ILE B 51 0.169 12.494 -2.177 1.00 0.00 H new ATOM 0 HB ILE B 51 2.318 13.209 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE B 51 2.936 10.784 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE B 51 1.450 10.340 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE B 51 4.366 11.975 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE B 51 3.723 12.886 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE B 51 3.486 11.125 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE B 51 1.009 10.925 -5.477 1.00 0.00 H new ATOM 0 HD12 ILE B 51 0.210 12.085 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE B 51 1.719 12.536 -5.218 1.00 0.00 H new ATOM 669 N TYR B 52 1.506 11.084 0.434 1.00 0.00 N ATOM 670 CA TYR B 52 1.397 9.951 1.337 1.00 0.00 C ATOM 671 C TYR B 52 -0.067 9.657 1.672 1.00 0.00 C ATOM 672 O TYR B 52 -0.618 8.649 1.232 1.00 0.00 O ATOM 673 CB TYR B 52 2.129 10.358 2.617 1.00 0.00 C ATOM 674 CG TYR B 52 3.369 9.515 2.921 1.00 0.00 C ATOM 675 CD1 TYR B 52 4.267 9.221 1.915 1.00 0.00 C ATOM 676 CD2 TYR B 52 3.588 9.046 4.200 1.00 0.00 C ATOM 677 CE1 TYR B 52 5.434 8.427 2.201 1.00 0.00 C ATOM 678 CE2 TYR B 52 4.755 8.252 4.486 1.00 0.00 C ATOM 679 CZ TYR B 52 5.620 7.981 3.473 1.00 0.00 C ATOM 680 OH TYR B 52 6.721 7.231 3.742 1.00 0.00 O ATOM 0 H TYR B 52 2.125 11.828 0.756 1.00 0.00 H new ATOM 0 HA TYR B 52 1.820 9.055 0.882 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.424 11.404 2.537 1.00 0.00 H new ATOM 0 HB3 TYR B 52 1.438 10.285 3.457 1.00 0.00 H new ATOM 0 HD1 TYR B 52 4.095 9.586 0.913 1.00 0.00 H new ATOM 0 HD2 TYR B 52 2.884 9.274 4.987 1.00 0.00 H new ATOM 0 HE1 TYR B 52 6.145 8.191 1.423 1.00 0.00 H new ATOM 0 HE2 TYR B 52 4.939 7.880 5.483 1.00 0.00 H new ATOM 0 HH TYR B 52 6.634 6.355 3.311 1.00 0.00 H new ATOM 681 N GLN B 53 -0.654 10.554 2.450 1.00 0.00 N ATOM 682 CA GLN B 53 -2.042 10.404 2.851 1.00 0.00 C ATOM 683 C GLN B 53 -2.948 10.352 1.618 1.00 0.00 C ATOM 684 O GLN B 53 -3.545 9.317 1.325 1.00 0.00 O ATOM 685 CB GLN B 53 -2.466 11.530 3.796 1.00 0.00 C ATOM 686 CG GLN B 53 -3.980 11.518 4.019 1.00 0.00 C ATOM 687 CD GLN B 53 -4.648 12.704 3.320 1.00 0.00 C ATOM 688 OE1 GLN B 53 -4.064 13.761 3.141 1.00 0.00 O ATOM 689 NE2 GLN B 53 -5.899 12.471 2.936 1.00 0.00 N ATOM 0 H GLN B 53 -0.193 11.388 2.814 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.143 9.464 3.393 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.953 11.420 4.752 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -2.164 12.491 3.381 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.399 10.586 3.641 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.194 11.554 5.087 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.327 11.563 3.117 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.431 13.200 2.460 1.00 0.00 H new ATOM 690 N ILE B 54 -3.020 11.481 0.929 1.00 0.00 N ATOM 691 CA ILE B 54 -3.842 11.578 -0.265 1.00 0.00 C ATOM 692 C ILE B 54 -3.867 10.222 -0.973 1.00 0.00 C ATOM 693 O ILE B 54 -4.892 9.541 -0.982 1.00 0.00 O ATOM 694 CB ILE B 54 -3.362 12.727 -1.155 1.00 0.00 C ATOM 695 CG1 ILE B 54 -1.894 12.538 -1.549 1.00 0.00 C ATOM 696 CG2 ILE B 54 -3.606 14.079 -0.484 1.00 0.00 C ATOM 697 CD1 ILE B 54 -1.774 12.024 -2.984 1.00 0.00 C ATOM 0 H ILE B 54 -2.522 12.337 1.175 1.00 0.00 H new ATOM 0 HA ILE B 54 -4.871 11.819 0.000 1.00 0.00 H new ATOM 0 HB ILE B 54 -3.947 12.715 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -1.363 13.485 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -1.418 11.835 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -3.256 14.878 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -4.672 14.205 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -3.064 14.119 0.461 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -0.722 11.898 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -2.285 11.065 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -2.229 12.741 -3.667 1.00 0.00 H new ATOM 698 N ALA B 55 -2.727 9.869 -1.547 1.00 0.00 N ATOM 699 CA ALA B 55 -2.606 8.606 -2.255 1.00 0.00 C ATOM 700 C ALA B 55 -3.981 7.941 -2.345 1.00 0.00 C ATOM 701 O ALA B 55 -5.006 8.622 -2.316 1.00 0.00 O ATOM 702 CB ALA B 55 -1.577 7.720 -1.549 1.00 0.00 C ATOM 0 H ALA B 55 -1.879 10.435 -1.536 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.252 8.771 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -1.487 6.773 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.610 8.223 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -1.900 7.532 -0.525 1.00 0.00 H new ATOM 703 N LYS B 56 -3.960 6.621 -2.453 1.00 0.00 N ATOM 704 CA LYS B 56 -5.194 5.858 -2.547 1.00 0.00 C ATOM 705 C LYS B 56 -4.881 4.456 -3.071 1.00 0.00 C ATOM 706 O LYS B 56 -4.332 4.304 -4.162 1.00 0.00 O ATOM 707 CB LYS B 56 -6.227 6.613 -3.387 1.00 0.00 C ATOM 708 CG LYS B 56 -5.585 7.212 -4.639 1.00 0.00 C ATOM 709 CD LYS B 56 -5.997 8.673 -4.821 1.00 0.00 C ATOM 710 CE LYS B 56 -7.037 8.816 -5.934 1.00 0.00 C ATOM 711 NZ LYS B 56 -6.373 8.995 -7.245 1.00 0.00 N ATOM 0 H LYS B 56 -3.109 6.060 -2.478 1.00 0.00 H new ATOM 0 HA LYS B 56 -5.645 5.737 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -7.031 5.936 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -6.677 7.406 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -4.500 7.143 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -5.881 6.635 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -6.404 9.059 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -5.120 9.275 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -7.674 7.932 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -7.684 9.669 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -7.093 9.090 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -5.784 9.852 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -5.775 8.169 -7.447 1.00 0.00 H new ATOM 712 N ASN B 57 -5.245 3.464 -2.270 1.00 0.00 N ATOM 713 CA ASN B 57 -5.010 2.079 -2.640 1.00 0.00 C ATOM 714 C ASN B 57 -4.822 1.984 -4.155 1.00 0.00 C ATOM 715 O ASN B 57 -3.891 1.336 -4.630 1.00 0.00 O ATOM 716 CB ASN B 57 -6.200 1.197 -2.255 1.00 0.00 C ATOM 717 CG ASN B 57 -5.879 0.353 -1.020 1.00 0.00 C ATOM 718 OD1 ASN B 57 -4.656 -0.171 -1.025 1.00 0.00 O flip ATOM 719 ND2 ASN B 57 -6.688 0.186 -0.121 1.00 0.00 N flip ATOM 0 H ASN B 57 -5.701 3.593 -1.367 1.00 0.00 H new ATOM 0 HA ASN B 57 -4.120 1.736 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -7.071 1.821 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -6.459 0.544 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -7.611 0.617 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -6.441 -0.384 0.688 1.00 0.00 H new ATOM 720 N LEU B 58 -5.722 2.641 -4.873 1.00 0.00 N ATOM 721 CA LEU B 58 -5.668 2.638 -6.325 1.00 0.00 C ATOM 722 C LEU B 58 -6.443 3.843 -6.861 1.00 0.00 C ATOM 723 O LEU B 58 -5.901 4.649 -7.615 1.00 0.00 O ATOM 724 CB LEU B 58 -6.155 1.298 -6.877 1.00 0.00 C ATOM 725 CG LEU B 58 -5.136 0.157 -6.864 1.00 0.00 C ATOM 726 CD1 LEU B 58 -5.525 -0.938 -7.859 1.00 0.00 C ATOM 727 CD2 LEU B 58 -3.721 0.682 -7.114 1.00 0.00 C ATOM 0 H LEU B 58 -6.492 3.179 -4.476 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.639 2.741 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -7.027 0.986 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -6.488 1.450 -7.904 1.00 0.00 H new ATOM 0 HG LEU B 58 -5.142 -0.293 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -4.784 -1.737 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -6.503 -1.340 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -5.566 -0.518 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -3.017 -0.150 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -3.682 1.174 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.455 1.396 -6.335 1.00 0.00 H new ATOM 728 N PRO B 59 -7.734 3.930 -6.441 1.00 0.00 N ATOM 729 CA PRO B 59 -8.299 2.933 -5.548 1.00 0.00 C ATOM 730 C PRO B 59 -8.593 1.631 -6.296 1.00 0.00 C ATOM 731 O PRO B 59 -8.667 1.619 -7.524 1.00 0.00 O ATOM 732 CB PRO B 59 -9.546 3.582 -4.972 1.00 0.00 C ATOM 733 CG PRO B 59 -9.889 4.729 -5.908 1.00 0.00 C ATOM 734 CD PRO B 59 -8.686 4.976 -6.804 1.00 0.00 C ATOM 0 HA PRO B 59 -7.613 2.644 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.367 2.867 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.366 3.944 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.767 4.484 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -10.132 5.626 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -8.958 4.916 -7.858 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -8.266 5.968 -6.639 1.00 0.00 H new ATOM 735 N ASN B 60 -8.754 0.566 -5.524 1.00 0.00 N ATOM 736 CA ASN B 60 -9.039 -0.739 -6.099 1.00 0.00 C ATOM 737 C ASN B 60 -8.490 -1.829 -5.177 1.00 0.00 C ATOM 738 O ASN B 60 -9.240 -2.675 -4.694 1.00 0.00 O ATOM 739 CB ASN B 60 -8.371 -0.896 -7.467 1.00 0.00 C ATOM 740 CG ASN B 60 -9.364 -0.614 -8.597 1.00 0.00 C ATOM 741 OD1 ASN B 60 -10.523 -0.994 -8.549 1.00 0.00 O ATOM 742 ND2 ASN B 60 -8.847 0.070 -9.612 1.00 0.00 N ATOM 0 H ASN B 60 -8.693 0.580 -4.506 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.119 -0.829 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -7.525 -0.213 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.976 -1.907 -7.569 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -9.429 0.308 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -7.869 0.357 -9.588 1.00 0.00 H new ATOM 743 N VAL B 61 -7.184 -1.772 -4.960 1.00 0.00 N ATOM 744 CA VAL B 61 -6.524 -2.743 -4.103 1.00 0.00 C ATOM 745 C VAL B 61 -7.576 -3.659 -3.474 1.00 0.00 C ATOM 746 O VAL B 61 -7.563 -4.869 -3.695 1.00 0.00 O ATOM 747 CB VAL B 61 -5.660 -2.025 -3.065 1.00 0.00 C ATOM 748 CG1 VAL B 61 -5.105 -3.013 -2.036 1.00 0.00 C ATOM 749 CG2 VAL B 61 -4.531 -1.242 -3.739 1.00 0.00 C ATOM 0 H VAL B 61 -6.565 -1.068 -5.363 1.00 0.00 H new ATOM 0 HA VAL B 61 -5.851 -3.372 -4.686 1.00 0.00 H new ATOM 0 HB VAL B 61 -6.293 -1.312 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -4.494 -2.477 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -5.931 -3.506 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -4.494 -3.761 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -3.932 -0.741 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -3.900 -1.928 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.956 -0.499 -4.414 1.00 0.00 H new ATOM 750 N CYS B 62 -8.463 -3.047 -2.704 1.00 0.00 N ATOM 751 CA CYS B 62 -9.521 -3.792 -2.041 1.00 0.00 C ATOM 752 C CYS B 62 -10.852 -3.094 -2.329 1.00 0.00 C ATOM 753 O CYS B 62 -11.599 -3.515 -3.210 1.00 0.00 O ATOM 754 CB CYS B 62 -9.261 -3.929 -0.540 1.00 0.00 C ATOM 755 SG CYS B 62 -7.690 -3.188 0.039 1.00 0.00 S ATOM 0 H CYS B 62 -8.471 -2.043 -2.524 1.00 0.00 H new ATOM 0 HA CYS B 62 -9.553 -4.809 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -10.086 -3.465 0.001 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -9.264 -4.988 -0.280 1.00 0.00 H new ATOM 756 N ASN B 63 -11.107 -2.040 -1.568 1.00 0.00 N ATOM 757 CA ASN B 63 -12.335 -1.281 -1.729 1.00 0.00 C ATOM 758 C ASN B 63 -12.984 -1.071 -0.359 1.00 0.00 C ATOM 759 O ASN B 63 -14.193 -1.238 -0.209 1.00 0.00 O ATOM 760 CB ASN B 63 -13.333 -2.029 -2.615 1.00 0.00 C ATOM 761 CG ASN B 63 -14.690 -1.322 -2.631 1.00 0.00 C ATOM 762 OD1 ASN B 63 -14.838 -0.217 -3.128 1.00 0.00 O ATOM 763 ND2 ASN B 63 -15.670 -2.019 -2.062 1.00 0.00 N ATOM 0 H ASN B 63 -10.484 -1.694 -0.838 1.00 0.00 H new ATOM 0 HA ASN B 63 -12.083 -0.328 -2.194 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -12.943 -2.098 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -13.455 -3.049 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -16.614 -1.634 -2.023 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -15.478 -2.939 -1.665 1.00 0.00 H new ATOM 764 N MET B 64 -12.151 -0.707 0.605 1.00 0.00 N ATOM 765 CA MET B 64 -12.628 -0.472 1.956 1.00 0.00 C ATOM 766 C MET B 64 -11.874 0.687 2.611 1.00 0.00 C ATOM 767 O MET B 64 -10.759 0.509 3.100 1.00 0.00 O ATOM 768 CB MET B 64 -12.441 -1.740 2.792 1.00 0.00 C ATOM 769 CG MET B 64 -11.049 -2.338 2.575 1.00 0.00 C ATOM 770 SD MET B 64 -11.147 -4.120 2.551 1.00 0.00 S ATOM 771 CE MET B 64 -12.202 -4.354 1.129 1.00 0.00 C ATOM 0 H MET B 64 -11.149 -0.569 0.477 1.00 0.00 H new ATOM 0 HA MET B 64 -13.685 -0.211 1.907 1.00 0.00 H new ATOM 0 HB2 MET B 64 -12.581 -1.508 3.848 1.00 0.00 H new ATOM 0 HB3 MET B 64 -13.202 -2.473 2.523 1.00 0.00 H new ATOM 0 HG2 MET B 64 -10.631 -1.976 1.636 1.00 0.00 H new ATOM 0 HG3 MET B 64 -10.377 -2.013 3.369 1.00 0.00 H new ATOM 0 HE1 MET B 64 -11.924 -5.276 0.618 1.00 0.00 H new ATOM 0 HE2 MET B 64 -13.241 -4.418 1.453 1.00 0.00 H new ATOM 0 HE3 MET B 64 -12.086 -3.512 0.447 1.00 0.00 H new ATOM 772 N LYS B 65 -12.511 1.848 2.598 1.00 0.00 N ATOM 773 CA LYS B 65 -11.914 3.037 3.184 1.00 0.00 C ATOM 774 C LYS B 65 -12.032 2.963 4.707 1.00 0.00 C ATOM 775 O LYS B 65 -11.542 3.842 5.415 1.00 0.00 O ATOM 776 CB LYS B 65 -12.530 4.299 2.579 1.00 0.00 C ATOM 777 CG LYS B 65 -12.860 4.095 1.100 1.00 0.00 C ATOM 778 CD LYS B 65 -12.686 5.396 0.314 1.00 0.00 C ATOM 779 CE LYS B 65 -13.204 6.593 1.115 1.00 0.00 C ATOM 780 NZ LYS B 65 -14.522 6.284 1.714 1.00 0.00 N ATOM 0 H LYS B 65 -13.435 1.991 2.191 1.00 0.00 H new ATOM 0 HA LYS B 65 -10.851 3.086 2.949 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -13.436 4.562 3.124 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -11.838 5.134 2.689 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -12.212 3.324 0.682 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -13.885 3.739 0.998 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.633 5.542 0.074 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -13.222 5.328 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -12.492 6.849 1.900 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -13.288 7.464 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -15.171 7.081 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -14.911 5.427 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -14.411 6.127 2.736 1.00 0.00 H new ATOM 781 N GLN B 66 -12.685 1.906 5.168 1.00 0.00 N ATOM 782 CA GLN B 66 -12.875 1.705 6.595 1.00 0.00 C ATOM 783 C GLN B 66 -11.639 1.042 7.206 1.00 0.00 C ATOM 784 O GLN B 66 -11.479 1.024 8.426 1.00 0.00 O ATOM 785 CB GLN B 66 -14.133 0.882 6.871 1.00 0.00 C ATOM 786 CG GLN B 66 -15.278 1.774 7.352 1.00 0.00 C ATOM 787 CD GLN B 66 -15.536 1.578 8.848 1.00 0.00 C ATOM 788 OE1 GLN B 66 -14.963 0.717 9.495 1.00 0.00 O ATOM 789 NE2 GLN B 66 -16.425 2.423 9.359 1.00 0.00 N ATOM 0 H GLN B 66 -13.090 1.179 4.578 1.00 0.00 H new ATOM 0 HA GLN B 66 -13.010 2.679 7.065 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -14.433 0.356 5.965 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -13.918 0.123 7.624 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -15.037 2.819 7.155 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -16.183 1.544 6.790 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -16.868 3.120 8.761 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -16.664 2.374 10.349 1.00 0.00 H new ATOM 790 N ILE B 67 -10.797 0.513 6.331 1.00 0.00 N ATOM 791 CA ILE B 67 -9.581 -0.150 6.769 1.00 0.00 C ATOM 792 C ILE B 67 -8.412 0.836 6.697 1.00 0.00 C ATOM 793 O ILE B 67 -7.754 1.097 7.703 1.00 0.00 O ATOM 794 CB ILE B 67 -9.351 -1.434 5.968 1.00 0.00 C ATOM 795 CG1 ILE B 67 -9.437 -2.666 6.871 1.00 0.00 C ATOM 796 CG2 ILE B 67 -8.027 -1.374 5.204 1.00 0.00 C ATOM 797 CD1 ILE B 67 -10.875 -3.178 6.965 1.00 0.00 C ATOM 0 H ILE B 67 -10.933 0.530 5.320 1.00 0.00 H new ATOM 0 HA ILE B 67 -9.673 -0.462 7.809 1.00 0.00 H new ATOM 0 HB ILE B 67 -10.146 -1.522 5.227 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -8.792 -3.453 6.481 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -9.070 -2.418 7.867 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -7.888 -2.298 4.643 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -8.043 -0.530 4.514 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -7.205 -1.251 5.909 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -10.908 -4.054 7.613 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -11.513 -2.397 7.378 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -11.231 -3.448 5.971 1.00 0.00 H new ATOM 798 N GLY B 68 -8.192 1.357 5.500 1.00 0.00 N ATOM 799 CA GLY B 68 -7.116 2.308 5.284 1.00 0.00 C ATOM 800 C GLY B 68 -6.547 2.181 3.869 1.00 0.00 C ATOM 801 O GLY B 68 -6.757 1.170 3.201 1.00 0.00 O ATOM 0 H GLY B 68 -8.741 1.138 4.669 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -7.485 3.322 5.442 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -6.325 2.139 6.014 1.00 0.00 H new ATOM 802 N THR B 69 -5.837 3.221 3.456 1.00 0.00 N ATOM 803 CA THR B 69 -5.236 3.237 2.133 1.00 0.00 C ATOM 804 C THR B 69 -4.082 4.241 2.084 1.00 0.00 C ATOM 805 O THR B 69 -4.050 5.194 2.862 1.00 0.00 O ATOM 806 CB THR B 69 -6.340 3.530 1.115 1.00 0.00 C ATOM 807 OG1 THR B 69 -6.067 2.636 0.040 1.00 0.00 O ATOM 808 CG2 THR B 69 -6.205 4.919 0.488 1.00 0.00 C ATOM 0 H THR B 69 -5.665 4.058 4.014 1.00 0.00 H new ATOM 0 HA THR B 69 -4.796 2.271 1.887 1.00 0.00 H new ATOM 0 HB THR B 69 -7.312 3.444 1.600 1.00 0.00 H new ATOM 0 HG1 THR B 69 -5.103 2.468 -0.009 1.00 0.00 H new ATOM 0 HG21 THR B 69 -7.013 5.076 -0.227 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.259 5.678 1.269 1.00 0.00 H new ATOM 0 HG23 THR B 69 -5.247 4.995 -0.026 1.00 0.00 H new ATOM 809 N CYS B 70 -3.163 3.994 1.163 1.00 0.00 N ATOM 810 CA CYS B 70 -2.011 4.865 1.002 1.00 0.00 C ATOM 811 C CYS B 70 -1.300 4.485 -0.299 1.00 0.00 C ATOM 812 O CYS B 70 -1.682 3.522 -0.961 1.00 0.00 O ATOM 813 CB CYS B 70 -1.073 4.791 2.208 1.00 0.00 C ATOM 814 SG CYS B 70 -1.546 5.861 3.615 1.00 0.00 S ATOM 0 H CYS B 70 -3.192 3.203 0.520 1.00 0.00 H new ATOM 0 HA CYS B 70 -2.341 5.902 0.945 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -1.029 3.758 2.554 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -0.068 5.062 1.886 1.00 0.00 H new