USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=11 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= 0.894 USER MOD Set 1.2: B 64 MET CE :methyl 156:sc= -5.41! (180deg=-6.82!) USER MOD Single : A 1 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.085) USER MOD Single : A 1 GLN N :NH3+ 145:sc= -2.64! (180deg=-4.45!) USER MOD Single : A 3 GLN : amide:sc= -0.0415 K(o=-0.041,f=-1.4) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0185 K(o=-0.018,f=-0.78) USER MOD Single : A 11 GLN : amide:sc= -2.01! C(o=-2!,f=-5.5!) USER MOD Single : A 13 GLN : amide:sc= -0.364 K(o=-0.36,f=-3!) USER MOD Single : A 14 HIS : no HE2:sc= -21.4! C(o=-21!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -1.98 K(o=-2,f=-5.7!) USER MOD Single : A 20 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.0016) USER MOD Single : A 24 GLN : amide:sc= -2.19 K(o=-2.2,f=-2.8!) USER MOD Single : A 25 GLN : amide:sc= -5.71! C(o=-5.7!,f=-8!) USER MOD Single : B 13 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.2!) USER MOD Single : B 16 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : B 20 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.2!) USER MOD Single : B 23 GLN : amide:sc= -5.03! C(o=-5!,f=-6.3!) USER MOD Single : B 29 THR OG1 : rot 99:sc= -6.49! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -1.05 K(o=-1,f=-0.088) USER MOD Single : B 35 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0648) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.807 X(o=-0.81,f=-0.86) USER MOD Single : B 42 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.27) USER MOD Single : B 43 HIS : no HD1:sc= -7.94! C(o=-7.9!,f=-9.5!) USER MOD Single : B 47 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.1!) USER MOD Single : B 48 SER OG : rot 180:sc= 0.057 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -2.51 K(o=-2.5,f=-7.2!) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 ASN : amide:sc= -10! C(o=-10!,f=-28!) USER MOD Single : B 60 ASN : amide:sc= -3.34! C(o=-3.3!,f=-2.5!) USER MOD Single : B 63 ASN : amide:sc= -2.85! C(o=-2.9!,f=-5.1!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : B 69 THR OG1 : rot 134:sc= 0.0311 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.170 1.467 15.838 1.00 0.00 N ATOM 2 CA GLN A 1 7.175 1.563 14.792 1.00 0.00 C ATOM 3 C GLN A 1 7.831 0.200 14.562 1.00 0.00 C ATOM 4 O GLN A 1 9.020 0.027 14.825 1.00 0.00 O ATOM 5 CB GLN A 1 8.223 2.625 15.134 1.00 0.00 C ATOM 6 CG GLN A 1 8.485 2.672 16.640 1.00 0.00 C ATOM 7 CD GLN A 1 9.822 3.353 16.943 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.872 2.959 16.464 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.724 4.396 17.762 1.00 0.00 N ATOM 0 H1 GLN A 1 6.158 2.349 16.390 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.235 1.314 15.408 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.397 0.669 16.465 1.00 0.00 H new ATOM 0 HA GLN A 1 6.683 1.869 13.869 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.152 2.408 14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.882 3.601 14.790 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.678 3.210 17.137 1.00 0.00 H new ATOM 0 HG3 GLN A 1 8.489 1.660 17.044 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.813 4.673 18.128 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.560 4.919 18.024 1.00 0.00 H new ATOM 10 N PRO A 2 7.007 -0.757 14.059 1.00 0.00 N ATOM 11 CA PRO A 2 7.494 -2.100 13.789 1.00 0.00 C ATOM 12 C PRO A 2 8.354 -2.127 12.524 1.00 0.00 C ATOM 13 O PRO A 2 7.939 -1.631 11.477 1.00 0.00 O ATOM 14 CB PRO A 2 6.245 -2.957 13.677 1.00 0.00 C ATOM 15 CG PRO A 2 5.098 -1.991 13.425 1.00 0.00 C ATOM 16 CD PRO A 2 5.593 -0.587 13.735 1.00 0.00 C ATOM 0 HA PRO A 2 8.149 -2.476 14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.336 -3.676 12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.081 -3.529 14.590 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.763 -2.058 12.390 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.243 -2.242 14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.459 0.078 12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.045 -0.149 14.569 1.00 0.00 H new ATOM 17 N GLN A 3 9.535 -2.709 12.662 1.00 0.00 N ATOM 18 CA GLN A 3 10.457 -2.808 11.544 1.00 0.00 C ATOM 19 C GLN A 3 9.991 -3.888 10.565 1.00 0.00 C ATOM 20 O GLN A 3 9.841 -3.628 9.372 1.00 0.00 O ATOM 21 CB GLN A 3 11.881 -3.086 12.029 1.00 0.00 C ATOM 22 CG GLN A 3 12.889 -2.179 11.319 1.00 0.00 C ATOM 23 CD GLN A 3 14.256 -2.858 11.211 1.00 0.00 C ATOM 24 OE1 GLN A 3 14.507 -3.901 11.792 1.00 0.00 O ATOM 25 NE2 GLN A 3 15.121 -2.211 10.437 1.00 0.00 N ATOM 0 H GLN A 3 9.875 -3.118 13.532 1.00 0.00 H new ATOM 0 HA GLN A 3 10.467 -1.851 11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.940 -2.928 13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.134 -4.130 11.846 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.522 -1.931 10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.987 -1.241 11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.845 -1.342 9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 3 16.061 -2.584 10.300 1.00 0.00 H new ATOM 26 N LYS A 4 9.774 -5.078 11.106 1.00 0.00 N ATOM 27 CA LYS A 4 9.327 -6.198 10.296 1.00 0.00 C ATOM 28 C LYS A 4 8.202 -5.735 9.368 1.00 0.00 C ATOM 29 O LYS A 4 8.169 -6.104 8.195 1.00 0.00 O ATOM 30 CB LYS A 4 8.943 -7.383 11.185 1.00 0.00 C ATOM 31 CG LYS A 4 10.070 -8.418 11.237 1.00 0.00 C ATOM 32 CD LYS A 4 10.085 -9.144 12.584 1.00 0.00 C ATOM 33 CE LYS A 4 10.752 -8.288 13.661 1.00 0.00 C ATOM 34 NZ LYS A 4 10.720 -8.980 14.968 1.00 0.00 N ATOM 0 H LYS A 4 9.900 -5.291 12.096 1.00 0.00 H new ATOM 0 HA LYS A 4 10.137 -6.555 9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.722 -7.030 12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.034 -7.849 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.942 -9.141 10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.029 -7.926 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.065 -9.382 12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.617 -10.090 12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.784 -8.078 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.241 -7.328 13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.177 -8.384 15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.733 -9.158 15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.228 -9.885 14.894 1.00 0.00 H new ATOM 35 N CYS A 5 7.308 -4.935 9.930 1.00 0.00 N ATOM 36 CA CYS A 5 6.185 -4.417 9.166 1.00 0.00 C ATOM 37 C CYS A 5 6.728 -3.762 7.895 1.00 0.00 C ATOM 38 O CYS A 5 6.400 -4.185 6.787 1.00 0.00 O ATOM 39 CB CYS A 5 5.340 -3.445 9.993 1.00 0.00 C ATOM 40 SG CYS A 5 3.943 -4.214 10.891 1.00 0.00 S ATOM 0 H CYS A 5 7.338 -4.633 10.904 1.00 0.00 H new ATOM 0 HA CYS A 5 5.519 -5.236 8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.987 -2.947 10.715 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.947 -2.673 9.331 1.00 0.00 H new ATOM 41 N GLN A 6 7.549 -2.742 8.097 1.00 0.00 N ATOM 42 CA GLN A 6 8.140 -2.026 6.979 1.00 0.00 C ATOM 43 C GLN A 6 9.070 -2.949 6.190 1.00 0.00 C ATOM 44 O GLN A 6 8.881 -3.147 4.990 1.00 0.00 O ATOM 45 CB GLN A 6 8.885 -0.779 7.461 1.00 0.00 C ATOM 46 CG GLN A 6 8.800 -0.643 8.982 1.00 0.00 C ATOM 47 CD GLN A 6 9.502 0.630 9.459 1.00 0.00 C ATOM 48 OE1 GLN A 6 10.715 0.748 9.433 1.00 0.00 O ATOM 49 NE2 GLN A 6 8.672 1.575 9.894 1.00 0.00 N ATOM 0 H GLN A 6 7.819 -2.394 9.017 1.00 0.00 H new ATOM 0 HA GLN A 6 7.339 -1.698 6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.930 -0.834 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.461 0.107 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.755 -0.624 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.256 -1.513 9.454 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.665 1.411 9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.043 2.463 10.233 1.00 0.00 H new ATOM 50 N ARG A 7 10.054 -3.488 6.893 1.00 0.00 N ATOM 51 CA ARG A 7 11.014 -4.386 6.273 1.00 0.00 C ATOM 52 C ARG A 7 10.301 -5.352 5.326 1.00 0.00 C ATOM 53 O ARG A 7 10.541 -5.335 4.119 1.00 0.00 O ATOM 54 CB ARG A 7 11.780 -5.187 7.327 1.00 0.00 C ATOM 55 CG ARG A 7 12.628 -6.280 6.674 1.00 0.00 C ATOM 56 CD ARG A 7 13.901 -6.542 7.483 1.00 0.00 C ATOM 57 NE ARG A 7 15.092 -6.357 6.624 1.00 0.00 N ATOM 58 CZ ARG A 7 15.620 -7.323 5.843 1.00 0.00 C ATOM 59 NH1 ARG A 7 15.063 -8.553 5.804 1.00 0.00 N ATOM 60 NH2 ARG A 7 16.687 -7.048 5.116 1.00 0.00 N ATOM 0 H ARG A 7 10.208 -3.320 7.887 1.00 0.00 H new ATOM 0 HA ARG A 7 11.723 -3.777 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.421 -4.519 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.078 -5.637 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.047 -7.199 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.892 -5.983 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.947 -5.863 8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.885 -7.555 7.884 1.00 0.00 H new ATOM 0 HE ARG A 7 15.542 -5.442 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.237 -8.757 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.468 -9.278 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.101 -6.116 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.098 -7.767 4.521 1.00 0.00 H new ATOM 61 N GLU A 8 9.438 -6.172 5.907 1.00 0.00 N ATOM 62 CA GLU A 8 8.689 -7.145 5.129 1.00 0.00 C ATOM 63 C GLU A 8 8.306 -6.556 3.770 1.00 0.00 C ATOM 64 O GLU A 8 8.305 -7.261 2.763 1.00 0.00 O ATOM 65 CB GLU A 8 7.448 -7.617 5.891 1.00 0.00 C ATOM 66 CG GLU A 8 7.785 -8.788 6.816 1.00 0.00 C ATOM 67 CD GLU A 8 6.830 -8.836 8.011 1.00 0.00 C ATOM 68 OE1 GLU A 8 5.753 -8.211 7.901 1.00 0.00 O ATOM 69 OE2 GLU A 8 7.198 -9.496 9.005 1.00 0.00 O ATOM 0 H GLU A 8 9.240 -6.183 6.908 1.00 0.00 H new ATOM 0 HA GLU A 8 9.325 -8.014 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.041 -6.792 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.675 -7.918 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.725 -9.724 6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.812 -8.693 7.170 1.00 0.00 H new ATOM 70 N PHE A 9 7.991 -5.269 3.786 1.00 0.00 N ATOM 71 CA PHE A 9 7.607 -4.578 2.566 1.00 0.00 C ATOM 72 C PHE A 9 8.663 -4.765 1.475 1.00 0.00 C ATOM 73 O PHE A 9 8.428 -5.469 0.494 1.00 0.00 O ATOM 74 CB PHE A 9 7.504 -3.091 2.910 1.00 0.00 C ATOM 75 CG PHE A 9 6.644 -2.285 1.934 1.00 0.00 C ATOM 76 CD1 PHE A 9 5.352 -2.646 1.709 1.00 0.00 C ATOM 77 CD2 PHE A 9 7.169 -1.207 1.293 1.00 0.00 C ATOM 78 CE1 PHE A 9 4.553 -1.899 0.803 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.371 -0.460 0.388 1.00 0.00 C ATOM 80 CZ PHE A 9 5.079 -0.822 0.161 1.00 0.00 C ATOM 0 H PHE A 9 7.994 -4.687 4.624 1.00 0.00 H new ATOM 0 HA PHE A 9 6.664 -4.976 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.090 -2.988 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.506 -2.664 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.934 -3.501 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.194 -0.919 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.527 -2.186 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.789 0.396 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.472 -0.254 -0.529 1.00 0.00 H new ATOM 81 N GLN A 10 9.803 -4.123 1.683 1.00 0.00 N ATOM 82 CA GLN A 10 10.896 -4.210 0.729 1.00 0.00 C ATOM 83 C GLN A 10 11.565 -5.584 0.812 1.00 0.00 C ATOM 84 O GLN A 10 11.946 -6.156 -0.209 1.00 0.00 O ATOM 85 CB GLN A 10 11.912 -3.089 0.956 1.00 0.00 C ATOM 86 CG GLN A 10 12.472 -2.579 -0.374 1.00 0.00 C ATOM 87 CD GLN A 10 13.906 -2.072 -0.206 1.00 0.00 C ATOM 88 OE1 GLN A 10 14.353 -1.745 0.881 1.00 0.00 O ATOM 89 NE2 GLN A 10 14.598 -2.024 -1.341 1.00 0.00 N ATOM 0 H GLN A 10 9.994 -3.540 2.498 1.00 0.00 H new ATOM 0 HA GLN A 10 10.488 -4.087 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.439 -2.268 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.727 -3.453 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.450 -3.380 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.841 -1.776 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.162 -2.313 -2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.565 -1.698 -1.336 1.00 0.00 H new ATOM 90 N GLN A 11 11.689 -6.073 2.037 1.00 0.00 N ATOM 91 CA GLN A 11 12.306 -7.368 2.267 1.00 0.00 C ATOM 92 C GLN A 11 11.930 -8.341 1.147 1.00 0.00 C ATOM 93 O GLN A 11 12.775 -9.094 0.666 1.00 0.00 O ATOM 94 CB GLN A 11 11.911 -7.929 3.634 1.00 0.00 C ATOM 95 CG GLN A 11 10.894 -9.062 3.490 1.00 0.00 C ATOM 96 CD GLN A 11 10.759 -9.848 4.796 1.00 0.00 C ATOM 97 OE1 GLN A 11 11.187 -9.420 5.855 1.00 0.00 O ATOM 98 NE2 GLN A 11 10.141 -11.018 4.662 1.00 0.00 N ATOM 0 H GLN A 11 11.373 -5.595 2.881 1.00 0.00 H new ATOM 0 HA GLN A 11 13.388 -7.238 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.798 -8.296 4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.490 -7.134 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.925 -8.651 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.203 -9.733 2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.807 -11.316 3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.001 -11.617 5.476 1.00 0.00 H new ATOM 99 N GLU A 12 10.662 -8.292 0.765 1.00 0.00 N ATOM 100 CA GLU A 12 10.165 -9.160 -0.290 1.00 0.00 C ATOM 101 C GLU A 12 10.325 -8.484 -1.653 1.00 0.00 C ATOM 102 O GLU A 12 11.376 -8.590 -2.284 1.00 0.00 O ATOM 103 CB GLU A 12 8.707 -9.549 -0.038 1.00 0.00 C ATOM 104 CG GLU A 12 8.576 -10.391 1.233 1.00 0.00 C ATOM 105 CD GLU A 12 8.472 -11.880 0.896 1.00 0.00 C ATOM 106 OE1 GLU A 12 7.492 -12.239 0.208 1.00 0.00 O ATOM 107 OE2 GLU A 12 9.374 -12.625 1.334 1.00 0.00 O ATOM 0 H GLU A 12 9.964 -7.666 1.167 1.00 0.00 H new ATOM 0 HA GLU A 12 10.756 -10.076 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.097 -8.650 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.324 -10.109 -0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.438 -10.220 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.694 -10.078 1.791 1.00 0.00 H new ATOM 108 N GLN A 13 9.267 -7.802 -2.068 1.00 0.00 N ATOM 109 CA GLN A 13 9.277 -7.109 -3.344 1.00 0.00 C ATOM 110 C GLN A 13 7.928 -6.428 -3.588 1.00 0.00 C ATOM 111 O GLN A 13 7.140 -6.884 -4.416 1.00 0.00 O ATOM 112 CB GLN A 13 9.622 -8.066 -4.486 1.00 0.00 C ATOM 113 CG GLN A 13 11.063 -7.861 -4.957 1.00 0.00 C ATOM 114 CD GLN A 13 11.745 -9.202 -5.238 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.205 -10.266 -4.985 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.958 -9.090 -5.772 1.00 0.00 N ATOM 0 H GLN A 13 8.397 -7.715 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 13 10.050 -6.341 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.487 -9.096 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.937 -7.906 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.071 -7.249 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.624 -7.316 -4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.350 -8.167 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.496 -9.927 -5.996 1.00 0.00 H new ATOM 117 N HIS A 14 7.705 -5.348 -2.854 1.00 0.00 N ATOM 118 CA HIS A 14 6.465 -4.600 -2.981 1.00 0.00 C ATOM 119 C HIS A 14 5.615 -5.202 -4.102 1.00 0.00 C ATOM 120 O HIS A 14 6.140 -5.582 -5.147 1.00 0.00 O ATOM 121 CB HIS A 14 6.748 -3.111 -3.184 1.00 0.00 C ATOM 122 CG HIS A 14 7.629 -2.502 -2.120 1.00 0.00 C ATOM 123 ND1 HIS A 14 7.739 -1.136 -1.929 1.00 0.00 N ATOM 124 CD2 HIS A 14 8.440 -3.086 -1.192 1.00 0.00 C ATOM 125 CE1 HIS A 14 8.581 -0.919 -0.929 1.00 0.00 C ATOM 126 NE2 HIS A 14 9.014 -2.130 -0.475 1.00 0.00 N ATOM 0 H HIS A 14 8.361 -4.973 -2.169 1.00 0.00 H new ATOM 0 HA HIS A 14 5.892 -4.678 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.221 -2.971 -4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.801 -2.572 -3.209 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.254 -0.418 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.589 -4.148 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.873 0.046 -0.542 1.00 0.00 H new ATOM 127 N LEU A 15 4.317 -5.268 -3.846 1.00 0.00 N ATOM 128 CA LEU A 15 3.390 -5.816 -4.821 1.00 0.00 C ATOM 129 C LEU A 15 3.550 -5.070 -6.147 1.00 0.00 C ATOM 130 O LEU A 15 4.396 -4.186 -6.267 1.00 0.00 O ATOM 131 CB LEU A 15 1.962 -5.795 -4.273 1.00 0.00 C ATOM 132 CG LEU A 15 1.822 -5.503 -2.777 1.00 0.00 C ATOM 133 CD1 LEU A 15 2.677 -6.464 -1.949 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.144 -4.040 -2.471 1.00 0.00 C ATOM 0 H LEU A 15 3.885 -4.951 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 15 3.618 -6.864 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.393 -5.046 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.501 -6.761 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 15 0.783 -5.669 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.560 -6.235 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.357 -7.489 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.724 -6.354 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.037 -3.860 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.168 -3.822 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.457 -3.394 -3.018 1.00 0.00 H new ATOM 135 N ARG A 16 2.724 -5.454 -7.109 1.00 0.00 N ATOM 136 CA ARG A 16 2.764 -4.833 -8.422 1.00 0.00 C ATOM 137 C ARG A 16 1.445 -4.113 -8.709 1.00 0.00 C ATOM 138 O ARG A 16 1.417 -2.890 -8.845 1.00 0.00 O ATOM 139 CB ARG A 16 3.018 -5.872 -9.516 1.00 0.00 C ATOM 140 CG ARG A 16 4.513 -6.169 -9.653 1.00 0.00 C ATOM 141 CD ARG A 16 4.858 -6.598 -11.080 1.00 0.00 C ATOM 142 NE ARG A 16 5.992 -5.795 -11.590 1.00 0.00 N ATOM 143 CZ ARG A 16 6.681 -6.089 -12.702 1.00 0.00 C ATOM 144 NH1 ARG A 16 6.354 -7.167 -13.427 1.00 0.00 N ATOM 145 NH2 ARG A 16 7.695 -5.304 -13.088 1.00 0.00 N ATOM 0 H ARG A 16 2.023 -6.188 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 16 3.583 -4.114 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.481 -6.791 -9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.627 -5.508 -10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.089 -5.283 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.797 -6.956 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.115 -7.657 -11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.990 -6.469 -11.727 1.00 0.00 H new ATOM 0 HE ARG A 16 6.266 -4.966 -11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.581 -7.764 -13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.878 -7.391 -14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.943 -4.483 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.219 -5.527 -13.934 1.00 0.00 H new ATOM 146 N ALA A 17 0.383 -4.901 -8.792 1.00 0.00 N ATOM 147 CA ALA A 17 -0.936 -4.355 -9.061 1.00 0.00 C ATOM 148 C ALA A 17 -1.119 -3.062 -8.266 1.00 0.00 C ATOM 149 O ALA A 17 -1.758 -2.123 -8.739 1.00 0.00 O ATOM 150 CB ALA A 17 -2.000 -5.402 -8.725 1.00 0.00 C ATOM 0 H ALA A 17 0.410 -5.914 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.042 -4.110 -10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.990 -4.993 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.843 -6.290 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.926 -5.670 -7.671 1.00 0.00 H new ATOM 151 N CYS A 18 -0.546 -3.053 -7.071 1.00 0.00 N ATOM 152 CA CYS A 18 -0.637 -1.889 -6.205 1.00 0.00 C ATOM 153 C CYS A 18 0.425 -0.879 -6.644 1.00 0.00 C ATOM 154 O CYS A 18 0.173 0.324 -6.662 1.00 0.00 O ATOM 155 CB CYS A 18 -0.489 -2.269 -4.730 1.00 0.00 C ATOM 156 SG CYS A 18 -1.669 -3.540 -4.143 1.00 0.00 S ATOM 0 H CYS A 18 -0.017 -3.833 -6.682 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.625 -1.439 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.526 -2.630 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.612 -1.371 -4.124 1.00 0.00 H new ATOM 157 N GLN A 19 1.591 -1.407 -6.986 1.00 0.00 N ATOM 158 CA GLN A 19 2.693 -0.567 -7.424 1.00 0.00 C ATOM 159 C GLN A 19 2.214 0.429 -8.482 1.00 0.00 C ATOM 160 O GLN A 19 2.716 1.550 -8.558 1.00 0.00 O ATOM 161 CB GLN A 19 3.852 -1.413 -7.952 1.00 0.00 C ATOM 162 CG GLN A 19 3.750 -1.598 -9.467 1.00 0.00 C ATOM 163 CD GLN A 19 4.571 -0.540 -10.207 1.00 0.00 C ATOM 164 OE1 GLN A 19 5.299 0.242 -9.616 1.00 0.00 O ATOM 165 NE2 GLN A 19 4.413 -0.557 -11.527 1.00 0.00 N ATOM 0 H GLN A 19 1.797 -2.406 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 19 3.059 -0.006 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.799 -0.934 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.849 -2.387 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.102 -2.593 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.706 -1.534 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.788 -1.239 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.917 0.112 -12.110 1.00 0.00 H new ATOM 166 N GLN A 20 1.248 -0.016 -9.272 1.00 0.00 N ATOM 167 CA GLN A 20 0.695 0.822 -10.323 1.00 0.00 C ATOM 168 C GLN A 20 0.551 2.264 -9.831 1.00 0.00 C ATOM 169 O GLN A 20 1.391 3.112 -10.129 1.00 0.00 O ATOM 170 CB GLN A 20 -0.646 0.273 -10.813 1.00 0.00 C ATOM 171 CG GLN A 20 -0.506 -0.360 -12.198 1.00 0.00 C ATOM 172 CD GLN A 20 -1.336 0.402 -13.235 1.00 0.00 C ATOM 173 OE1 GLN A 20 -1.164 1.590 -13.455 1.00 0.00 O ATOM 174 NE2 GLN A 20 -2.243 -0.347 -13.857 1.00 0.00 N ATOM 0 H GLN A 20 0.834 -0.946 -9.206 1.00 0.00 H new ATOM 0 HA GLN A 20 1.384 0.814 -11.168 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.019 -0.468 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.381 1.077 -10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.542 -0.363 -12.496 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.829 -1.400 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.334 -1.336 -13.624 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.847 0.068 -14.567 1.00 0.00 H new ATOM 175 N TRP A 21 -0.520 2.498 -9.087 1.00 0.00 N ATOM 176 CA TRP A 21 -0.784 3.822 -8.552 1.00 0.00 C ATOM 177 C TRP A 21 0.464 4.285 -7.798 1.00 0.00 C ATOM 178 O TRP A 21 1.100 5.265 -8.184 1.00 0.00 O ATOM 179 CB TRP A 21 -2.043 3.821 -7.682 1.00 0.00 C ATOM 180 CG TRP A 21 -1.851 4.471 -6.309 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.079 5.744 -5.961 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.380 3.822 -5.109 1.00 0.00 C ATOM 183 NE1 TRP A 21 -1.791 5.964 -4.629 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.352 4.758 -4.095 1.00 0.00 C ATOM 185 CE3 TRP A 21 -0.990 2.490 -4.888 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -0.942 4.461 -2.790 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -0.583 2.210 -3.578 1.00 0.00 C ATOM 188 CH2 TRP A 21 -0.549 3.139 -2.547 1.00 0.00 C ATOM 0 H TRP A 21 -1.215 1.793 -8.842 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.987 4.529 -9.356 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.839 4.344 -8.212 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.375 2.792 -7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.443 6.503 -6.638 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.883 6.848 -4.129 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.003 1.742 -5.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.929 5.211 -2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.274 1.200 -3.354 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -0.221 2.843 -1.561 1.00 0.00 H new ATOM 189 N ILE A 22 0.777 3.559 -6.735 1.00 0.00 N ATOM 190 CA ILE A 22 1.937 3.883 -5.923 1.00 0.00 C ATOM 191 C ILE A 22 3.009 4.529 -6.805 1.00 0.00 C ATOM 192 O ILE A 22 3.563 5.568 -6.453 1.00 0.00 O ATOM 193 CB ILE A 22 2.426 2.645 -5.169 1.00 0.00 C ATOM 194 CG1 ILE A 22 2.579 2.937 -3.675 1.00 0.00 C ATOM 195 CG2 ILE A 22 3.720 2.105 -5.781 1.00 0.00 C ATOM 196 CD1 ILE A 22 3.378 4.221 -3.446 1.00 0.00 C ATOM 0 H ILE A 22 0.247 2.747 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 22 1.673 4.612 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 22 1.671 1.865 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.595 3.031 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.080 2.101 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.046 1.225 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.544 1.833 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.493 2.872 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.472 4.405 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.370 4.115 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.862 5.059 -3.914 1.00 0.00 H new ATOM 197 N ARG A 23 3.265 3.885 -7.934 1.00 0.00 N ATOM 198 CA ARG A 23 4.259 4.383 -8.869 1.00 0.00 C ATOM 199 C ARG A 23 3.619 5.367 -9.851 1.00 0.00 C ATOM 200 O ARG A 23 3.956 6.550 -9.857 1.00 0.00 O ATOM 201 CB ARG A 23 4.901 3.236 -9.654 1.00 0.00 C ATOM 202 CG ARG A 23 6.322 3.599 -10.092 1.00 0.00 C ATOM 203 CD ARG A 23 6.358 3.985 -11.571 1.00 0.00 C ATOM 204 NE ARG A 23 6.926 2.876 -12.370 1.00 0.00 N ATOM 205 CZ ARG A 23 7.228 2.967 -13.673 1.00 0.00 C ATOM 206 NH1 ARG A 23 7.016 4.114 -14.331 1.00 0.00 N ATOM 207 NH2 ARG A 23 7.739 1.909 -14.317 1.00 0.00 N ATOM 0 H ARG A 23 2.802 3.023 -8.222 1.00 0.00 H new ATOM 0 HA ARG A 23 5.031 4.891 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.925 2.337 -9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.294 3.006 -10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.692 4.427 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.987 2.754 -9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.352 4.217 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.957 4.885 -11.706 1.00 0.00 H new ATOM 0 HE ARG A 23 7.098 1.987 -11.900 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.625 4.918 -13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.246 4.183 -15.322 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.898 1.035 -13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.969 1.978 -15.308 1.00 0.00 H new ATOM 208 N GLN A 24 2.707 4.842 -10.655 1.00 0.00 N ATOM 209 CA GLN A 24 2.017 5.660 -11.638 1.00 0.00 C ATOM 210 C GLN A 24 1.682 7.031 -11.046 1.00 0.00 C ATOM 211 O GLN A 24 1.742 8.043 -11.743 1.00 0.00 O ATOM 212 CB GLN A 24 0.755 4.959 -12.146 1.00 0.00 C ATOM 213 CG GLN A 24 0.093 5.765 -13.265 1.00 0.00 C ATOM 214 CD GLN A 24 0.995 5.831 -14.500 1.00 0.00 C ATOM 215 OE1 GLN A 24 2.008 5.158 -14.598 1.00 0.00 O ATOM 216 NE2 GLN A 24 0.572 6.678 -15.434 1.00 0.00 N ATOM 0 H GLN A 24 2.430 3.860 -10.646 1.00 0.00 H new ATOM 0 HA GLN A 24 2.680 5.806 -12.491 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.009 3.964 -12.511 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.052 4.827 -11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.861 5.310 -13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.122 6.774 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.285 7.211 -15.288 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.105 6.794 -16.296 1.00 0.00 H new ATOM 217 N GLN A 25 1.336 7.020 -9.767 1.00 0.00 N ATOM 218 CA GLN A 25 0.991 8.249 -9.075 1.00 0.00 C ATOM 219 C GLN A 25 1.850 9.407 -9.588 1.00 0.00 C ATOM 220 O GLN A 25 1.360 10.522 -9.759 1.00 0.00 O ATOM 221 CB GLN A 25 1.139 8.086 -7.561 1.00 0.00 C ATOM 222 CG GLN A 25 0.028 8.830 -6.818 1.00 0.00 C ATOM 223 CD GLN A 25 0.246 10.342 -6.874 1.00 0.00 C ATOM 224 OE1 GLN A 25 1.345 10.844 -6.698 1.00 0.00 O ATOM 225 NE2 GLN A 25 -0.857 11.040 -7.130 1.00 0.00 N ATOM 0 H GLN A 25 1.287 6.179 -9.192 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.054 8.478 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.110 7.028 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.110 8.465 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.938 8.582 -7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.002 8.502 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.745 10.558 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.814 12.057 -7.189 1.00 0.00 H new ATOM 226 N LEU A 26 3.119 9.102 -9.821 1.00 0.00 N ATOM 227 CA LEU A 26 4.051 10.103 -10.311 1.00 0.00 C ATOM 228 C LEU A 26 3.513 10.702 -11.612 1.00 0.00 C ATOM 229 O LEU A 26 3.435 11.921 -11.752 1.00 0.00 O ATOM 230 CB LEU A 26 5.455 9.508 -10.442 1.00 0.00 C ATOM 231 CG LEU A 26 6.033 8.867 -9.179 1.00 0.00 C ATOM 232 CD1 LEU A 26 7.560 8.949 -9.173 1.00 0.00 C ATOM 233 CD2 LEU A 26 5.420 9.484 -7.921 1.00 0.00 C ATOM 0 H LEU A 26 3.523 8.176 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 26 4.141 10.922 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.437 8.756 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.133 10.297 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 26 5.768 7.810 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.946 8.486 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.956 8.425 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.868 9.994 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.848 9.010 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.633 10.553 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.341 9.329 -7.929 1.00 0.00 H new ATOM 234 N ALA A 27 3.153 9.815 -12.529 1.00 0.00 N ATOM 235 CA ALA A 27 2.624 10.241 -13.814 1.00 0.00 C ATOM 236 C ALA A 27 1.531 11.287 -13.588 1.00 0.00 C ATOM 237 O ALA A 27 1.139 11.546 -12.451 1.00 0.00 O ATOM 238 CB ALA A 27 2.116 9.023 -14.586 1.00 0.00 C ATOM 0 H ALA A 27 3.217 8.804 -12.408 1.00 0.00 H new ATOM 0 HA ALA A 27 3.405 10.705 -14.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.719 9.343 -15.550 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.938 8.325 -14.745 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.328 8.532 -14.014 1.00 0.00 H new ATOM 323 N TRP B 9 -12.111 -8.124 -11.481 1.00 0.00 N ATOM 324 CA TRP B 9 -11.714 -7.940 -10.095 1.00 0.00 C ATOM 325 C TRP B 9 -10.211 -8.203 -9.994 1.00 0.00 C ATOM 326 O TRP B 9 -9.772 -9.020 -9.186 1.00 0.00 O ATOM 327 CB TRP B 9 -12.540 -8.831 -9.166 1.00 0.00 C ATOM 328 CG TRP B 9 -14.031 -8.875 -9.509 1.00 0.00 C ATOM 329 CD1 TRP B 9 -14.888 -7.849 -9.600 1.00 0.00 C ATOM 330 CD2 TRP B 9 -14.810 -10.054 -9.805 1.00 0.00 C ATOM 331 NE1 TRP B 9 -16.157 -8.277 -9.932 1.00 0.00 N ATOM 332 CE2 TRP B 9 -16.108 -9.660 -10.060 1.00 0.00 C ATOM 333 CE3 TRP B 9 -14.431 -11.406 -9.854 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -17.132 -10.559 -10.383 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -15.466 -12.292 -10.179 1.00 0.00 C ATOM 336 CH2 TRP B 9 -16.778 -11.912 -10.439 1.00 0.00 C ATOM 0 HA TRP B 9 -11.911 -6.918 -9.770 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -12.140 -9.844 -9.201 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -12.424 -8.477 -8.142 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -14.619 -6.816 -9.434 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -16.979 -7.687 -10.060 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -13.422 -11.736 -9.657 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -18.141 -10.226 -10.578 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -15.228 -13.344 -10.231 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -17.520 -12.657 -10.683 1.00 0.00 H new ATOM 337 N LEU B 10 -9.461 -7.496 -10.827 1.00 0.00 N ATOM 338 CA LEU B 10 -8.016 -7.642 -10.842 1.00 0.00 C ATOM 339 C LEU B 10 -7.418 -6.886 -9.653 1.00 0.00 C ATOM 340 O LEU B 10 -6.494 -7.373 -9.005 1.00 0.00 O ATOM 341 CB LEU B 10 -7.447 -7.210 -12.195 1.00 0.00 C ATOM 342 CG LEU B 10 -7.521 -8.247 -13.317 1.00 0.00 C ATOM 343 CD1 LEU B 10 -8.682 -9.218 -13.089 1.00 0.00 C ATOM 344 CD2 LEU B 10 -7.602 -7.569 -14.686 1.00 0.00 C ATOM 0 H LEU B 10 -9.828 -6.820 -11.497 1.00 0.00 H new ATOM 0 HA LEU B 10 -7.738 -8.690 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.976 -6.314 -12.520 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -6.403 -6.930 -12.055 1.00 0.00 H new ATOM 0 HG LEU B 10 -6.602 -8.833 -13.302 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -8.713 -9.945 -13.900 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -8.541 -9.738 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -9.620 -8.664 -13.063 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -7.654 -8.329 -15.466 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -8.493 -6.943 -14.730 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -6.717 -6.951 -14.839 1.00 0.00 H new ATOM 345 N ARG B 11 -7.972 -5.708 -9.404 1.00 0.00 N ATOM 346 CA ARG B 11 -7.505 -4.880 -8.306 1.00 0.00 C ATOM 347 C ARG B 11 -7.807 -5.556 -6.966 1.00 0.00 C ATOM 348 O ARG B 11 -6.911 -5.739 -6.144 1.00 0.00 O ATOM 349 CB ARG B 11 -8.169 -3.501 -8.334 1.00 0.00 C ATOM 350 CG ARG B 11 -8.376 -3.023 -9.773 1.00 0.00 C ATOM 351 CD ARG B 11 -9.818 -3.259 -10.227 1.00 0.00 C ATOM 352 NE ARG B 11 -10.439 -1.977 -10.626 1.00 0.00 N ATOM 353 CZ ARG B 11 -11.471 -1.872 -11.490 1.00 0.00 C ATOM 354 NH1 ARG B 11 -12.008 -2.975 -12.053 1.00 0.00 N ATOM 355 NH2 ARG B 11 -11.948 -0.675 -11.776 1.00 0.00 N ATOM 0 H ARG B 11 -8.739 -5.308 -9.944 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.428 -4.755 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -9.129 -3.545 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -7.550 -2.784 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.137 -1.962 -9.845 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.691 -3.550 -10.437 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.835 -3.957 -11.064 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -10.392 -3.715 -9.420 1.00 0.00 H new ATOM 0 HE ARG B 11 -10.064 -1.118 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -11.634 -3.897 -11.827 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -12.788 -2.887 -12.705 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -11.537 0.154 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -12.727 -0.579 -12.427 1.00 0.00 H new ATOM 356 N GLU B 12 -9.072 -5.907 -6.789 1.00 0.00 N ATOM 357 CA GLU B 12 -9.503 -6.558 -5.563 1.00 0.00 C ATOM 358 C GLU B 12 -8.464 -7.589 -5.117 1.00 0.00 C ATOM 359 O GLU B 12 -8.150 -7.684 -3.931 1.00 0.00 O ATOM 360 CB GLU B 12 -10.877 -7.207 -5.741 1.00 0.00 C ATOM 361 CG GLU B 12 -11.852 -6.246 -6.427 1.00 0.00 C ATOM 362 CD GLU B 12 -13.301 -6.603 -6.089 1.00 0.00 C ATOM 363 OE1 GLU B 12 -13.628 -7.805 -6.191 1.00 0.00 O ATOM 364 OE2 GLU B 12 -14.049 -5.666 -5.735 1.00 0.00 O ATOM 0 H GLU B 12 -9.812 -5.753 -7.474 1.00 0.00 H new ATOM 0 HA GLU B 12 -9.593 -5.801 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.780 -8.117 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -11.273 -7.501 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -11.643 -5.224 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -11.707 -6.284 -7.507 1.00 0.00 H new ATOM 365 N GLN B 13 -7.961 -8.334 -6.089 1.00 0.00 N ATOM 366 CA GLN B 13 -6.964 -9.354 -5.810 1.00 0.00 C ATOM 367 C GLN B 13 -5.882 -8.799 -4.881 1.00 0.00 C ATOM 368 O GLN B 13 -5.530 -9.432 -3.886 1.00 0.00 O ATOM 369 CB GLN B 13 -6.352 -9.891 -7.105 1.00 0.00 C ATOM 370 CG GLN B 13 -5.579 -11.187 -6.851 1.00 0.00 C ATOM 371 CD GLN B 13 -5.709 -12.144 -8.038 1.00 0.00 C ATOM 372 OE1 GLN B 13 -6.333 -11.847 -9.043 1.00 0.00 O ATOM 373 NE2 GLN B 13 -5.085 -13.306 -7.866 1.00 0.00 N ATOM 0 H GLN B 13 -8.225 -8.252 -7.071 1.00 0.00 H new ATOM 0 HA GLN B 13 -7.455 -10.187 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -7.140 -10.071 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -5.684 -9.143 -7.533 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -4.527 -10.959 -6.676 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -5.955 -11.668 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -4.580 -13.490 -6.999 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -5.111 -14.013 -8.601 1.00 0.00 H new ATOM 374 N CYS B 14 -5.386 -7.623 -5.239 1.00 0.00 N ATOM 375 CA CYS B 14 -4.351 -6.977 -4.450 1.00 0.00 C ATOM 376 C CYS B 14 -4.805 -6.956 -2.988 1.00 0.00 C ATOM 377 O CYS B 14 -4.064 -7.373 -2.099 1.00 0.00 O ATOM 378 CB CYS B 14 -4.038 -5.573 -4.970 1.00 0.00 C ATOM 379 SG CYS B 14 -2.262 -5.130 -4.962 1.00 0.00 S ATOM 0 H CYS B 14 -5.682 -7.102 -6.064 1.00 0.00 H new ATOM 0 HA CYS B 14 -3.421 -7.540 -4.533 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.415 -5.486 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -4.582 -4.847 -4.365 1.00 0.00 H new ATOM 380 N CYS B 15 -6.019 -6.468 -2.785 1.00 0.00 N ATOM 381 CA CYS B 15 -6.580 -6.387 -1.447 1.00 0.00 C ATOM 382 C CYS B 15 -6.822 -7.811 -0.941 1.00 0.00 C ATOM 383 O CYS B 15 -6.246 -8.222 0.065 1.00 0.00 O ATOM 384 CB CYS B 15 -7.858 -5.547 -1.419 1.00 0.00 C ATOM 385 SG CYS B 15 -9.333 -6.414 -0.769 1.00 0.00 S ATOM 0 H CYS B 15 -6.631 -6.124 -3.525 1.00 0.00 H new ATOM 0 HA CYS B 15 -5.877 -5.881 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.679 -4.659 -0.812 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -8.072 -5.204 -2.431 1.00 0.00 H new ATOM 386 N ASN B 16 -7.675 -8.524 -1.662 1.00 0.00 N ATOM 387 CA ASN B 16 -7.999 -9.893 -1.299 1.00 0.00 C ATOM 388 C ASN B 16 -6.743 -10.587 -0.770 1.00 0.00 C ATOM 389 O ASN B 16 -6.821 -11.406 0.146 1.00 0.00 O ATOM 390 CB ASN B 16 -8.499 -10.681 -2.512 1.00 0.00 C ATOM 391 CG ASN B 16 -10.019 -10.576 -2.647 1.00 0.00 C ATOM 392 OD1 ASN B 16 -10.700 -11.512 -3.034 1.00 0.00 O ATOM 393 ND2 ASN B 16 -10.512 -9.389 -2.305 1.00 0.00 N ATOM 0 H ASN B 16 -8.151 -8.179 -2.495 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.781 -9.864 -0.540 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -8.023 -10.303 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.211 -11.728 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -11.516 -9.219 -2.358 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.886 -8.648 -1.989 1.00 0.00 H new ATOM 394 N GLU B 17 -5.613 -10.235 -1.367 1.00 0.00 N ATOM 395 CA GLU B 17 -4.343 -10.814 -0.966 1.00 0.00 C ATOM 396 C GLU B 17 -3.823 -10.129 0.300 1.00 0.00 C ATOM 397 O GLU B 17 -3.265 -10.783 1.179 1.00 0.00 O ATOM 398 CB GLU B 17 -3.318 -10.724 -2.098 1.00 0.00 C ATOM 399 CG GLU B 17 -2.079 -9.944 -1.655 1.00 0.00 C ATOM 400 CD GLU B 17 -1.265 -10.743 -0.634 1.00 0.00 C ATOM 401 OE1 GLU B 17 -1.576 -11.943 -0.474 1.00 0.00 O ATOM 402 OE2 GLU B 17 -0.352 -10.134 -0.036 1.00 0.00 O ATOM 0 H GLU B 17 -5.551 -9.556 -2.125 1.00 0.00 H new ATOM 0 HA GLU B 17 -4.501 -11.870 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -3.028 -11.727 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -3.768 -10.237 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.459 -9.716 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -2.381 -8.991 -1.220 1.00 0.00 H new ATOM 403 N LEU B 18 -4.025 -8.820 0.351 1.00 0.00 N ATOM 404 CA LEU B 18 -3.584 -8.040 1.495 1.00 0.00 C ATOM 405 C LEU B 18 -4.638 -8.121 2.600 1.00 0.00 C ATOM 406 O LEU B 18 -4.324 -8.467 3.737 1.00 0.00 O ATOM 407 CB LEU B 18 -3.247 -6.609 1.068 1.00 0.00 C ATOM 408 CG LEU B 18 -4.170 -5.514 1.608 1.00 0.00 C ATOM 409 CD1 LEU B 18 -4.218 -5.544 3.138 1.00 0.00 C ATOM 410 CD2 LEU B 18 -3.761 -4.140 1.074 1.00 0.00 C ATOM 0 H LEU B 18 -4.488 -8.281 -0.381 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.662 -8.452 1.905 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -2.228 -6.387 1.385 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -3.260 -6.563 -0.021 1.00 0.00 H new ATOM 0 HG LEU B 18 -5.181 -5.710 1.250 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.881 -4.756 3.497 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.592 -6.512 3.471 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.216 -5.385 3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.433 -3.380 1.473 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -2.739 -3.919 1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -3.819 -4.141 -0.014 1.00 0.00 H new ATOM 411 N TYR B 19 -5.866 -7.795 2.226 1.00 0.00 N ATOM 412 CA TYR B 19 -6.970 -7.826 3.171 1.00 0.00 C ATOM 413 C TYR B 19 -6.783 -8.949 4.194 1.00 0.00 C ATOM 414 O TYR B 19 -7.121 -8.788 5.366 1.00 0.00 O ATOM 415 CB TYR B 19 -8.226 -8.108 2.346 1.00 0.00 C ATOM 416 CG TYR B 19 -9.420 -7.223 2.705 1.00 0.00 C ATOM 417 CD1 TYR B 19 -9.216 -5.914 3.092 1.00 0.00 C ATOM 418 CD2 TYR B 19 -10.701 -7.733 2.644 1.00 0.00 C ATOM 419 CE1 TYR B 19 -10.340 -5.080 3.430 1.00 0.00 C ATOM 420 CE2 TYR B 19 -11.825 -6.899 2.984 1.00 0.00 C ATOM 421 CZ TYR B 19 -11.589 -5.614 3.360 1.00 0.00 C ATOM 422 OH TYR B 19 -12.650 -4.826 3.680 1.00 0.00 O ATOM 0 H TYR B 19 -6.121 -7.508 1.281 1.00 0.00 H new ATOM 0 HA TYR B 19 -7.033 -6.885 3.718 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.992 -7.973 1.290 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.508 -9.152 2.479 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.213 -5.515 3.141 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -10.861 -8.757 2.341 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.195 -4.053 3.732 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -12.832 -7.286 2.941 1.00 0.00 H new ATOM 0 HH TYR B 19 -12.477 -3.908 3.383 1.00 0.00 H new ATOM 423 N GLN B 20 -6.246 -10.061 3.714 1.00 0.00 N ATOM 424 CA GLN B 20 -6.010 -11.209 4.572 1.00 0.00 C ATOM 425 C GLN B 20 -5.180 -10.801 5.790 1.00 0.00 C ATOM 426 O GLN B 20 -5.398 -11.304 6.891 1.00 0.00 O ATOM 427 CB GLN B 20 -5.330 -12.341 3.798 1.00 0.00 C ATOM 428 CG GLN B 20 -6.360 -13.199 3.061 1.00 0.00 C ATOM 429 CD GLN B 20 -6.358 -14.634 3.593 1.00 0.00 C ATOM 430 OE1 GLN B 20 -5.566 -15.008 4.442 1.00 0.00 O ATOM 431 NE2 GLN B 20 -7.287 -15.414 3.047 1.00 0.00 N ATOM 0 H GLN B 20 -5.968 -10.191 2.741 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.973 -11.580 4.922 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.622 -11.923 3.083 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.758 -12.964 4.486 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -7.353 -12.765 3.180 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.139 -13.202 1.994 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -7.919 -15.037 2.341 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -7.368 -16.389 3.335 1.00 0.00 H new ATOM 432 N GLU B 21 -4.245 -9.894 5.551 1.00 0.00 N ATOM 433 CA GLU B 21 -3.381 -9.412 6.615 1.00 0.00 C ATOM 434 C GLU B 21 -4.097 -8.337 7.436 1.00 0.00 C ATOM 435 O GLU B 21 -5.323 -8.348 7.544 1.00 0.00 O ATOM 436 CB GLU B 21 -2.060 -8.881 6.052 1.00 0.00 C ATOM 437 CG GLU B 21 -0.869 -9.438 6.833 1.00 0.00 C ATOM 438 CD GLU B 21 -1.099 -9.325 8.341 1.00 0.00 C ATOM 439 OE1 GLU B 21 -1.742 -10.311 8.870 1.00 0.00 O ATOM 440 OE2 GLU B 21 -0.679 -8.336 8.961 1.00 0.00 O ATOM 0 H GLU B 21 -4.067 -9.480 4.636 1.00 0.00 H new ATOM 0 HA GLU B 21 -3.148 -10.249 7.273 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.971 -9.156 5.001 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -2.052 -7.792 6.098 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.709 -10.482 6.563 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.036 -8.896 6.558 1.00 0.00 H new ATOM 441 N ASP B 22 -3.303 -7.435 7.994 1.00 0.00 N ATOM 442 CA ASP B 22 -3.847 -6.358 8.801 1.00 0.00 C ATOM 443 C ASP B 22 -3.263 -5.025 8.325 1.00 0.00 C ATOM 444 O ASP B 22 -2.064 -4.786 8.458 1.00 0.00 O ATOM 445 CB ASP B 22 -3.479 -6.534 10.276 1.00 0.00 C ATOM 446 CG ASP B 22 -3.050 -7.949 10.670 1.00 0.00 C ATOM 447 OD1 ASP B 22 -3.713 -8.937 10.320 1.00 0.00 O ATOM 448 OD2 ASP B 22 -1.974 -8.016 11.377 1.00 0.00 O ATOM 0 H ASP B 22 -2.287 -7.429 7.903 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.932 -6.373 8.695 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -2.670 -5.844 10.518 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -4.336 -6.247 10.886 1.00 0.00 H new ATOM 449 N GLN B 23 -4.138 -4.193 7.779 1.00 0.00 N ATOM 450 CA GLN B 23 -3.725 -2.892 7.282 1.00 0.00 C ATOM 451 C GLN B 23 -2.905 -2.155 8.344 1.00 0.00 C ATOM 452 O GLN B 23 -2.366 -1.081 8.081 1.00 0.00 O ATOM 453 CB GLN B 23 -4.933 -2.061 6.848 1.00 0.00 C ATOM 454 CG GLN B 23 -6.142 -2.344 7.743 1.00 0.00 C ATOM 455 CD GLN B 23 -5.717 -2.507 9.204 1.00 0.00 C ATOM 456 OE1 GLN B 23 -5.146 -1.619 9.814 1.00 0.00 O ATOM 457 NE2 GLN B 23 -6.027 -3.690 9.727 1.00 0.00 N ATOM 0 H GLN B 23 -5.132 -4.395 7.670 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.096 -3.043 6.404 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.684 -1.001 6.891 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.182 -2.288 5.811 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.860 -1.529 7.658 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.646 -3.249 7.404 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.506 -4.389 9.159 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -5.786 -3.898 10.696 1.00 0.00 H new ATOM 458 N VAL B 24 -2.837 -2.761 9.520 1.00 0.00 N ATOM 459 CA VAL B 24 -2.093 -2.176 10.622 1.00 0.00 C ATOM 460 C VAL B 24 -0.804 -1.549 10.085 1.00 0.00 C ATOM 461 O VAL B 24 -0.430 -0.449 10.488 1.00 0.00 O ATOM 462 CB VAL B 24 -1.840 -3.229 11.702 1.00 0.00 C ATOM 463 CG1 VAL B 24 -0.356 -3.593 11.778 1.00 0.00 C ATOM 464 CG2 VAL B 24 -2.359 -2.756 13.062 1.00 0.00 C ATOM 0 H VAL B 24 -3.285 -3.652 9.734 1.00 0.00 H new ATOM 0 HA VAL B 24 -2.671 -1.381 11.093 1.00 0.00 H new ATOM 0 HB VAL B 24 -2.391 -4.128 11.427 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -0.205 -4.343 12.554 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -0.030 -3.993 10.818 1.00 0.00 H new ATOM 0 HG13 VAL B 24 0.225 -2.702 12.016 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -2.166 -3.523 13.812 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -1.849 -1.835 13.346 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -3.431 -2.572 12.998 1.00 0.00 H new ATOM 465 N CYS B 25 -0.161 -2.277 9.184 1.00 0.00 N ATOM 466 CA CYS B 25 1.078 -1.807 8.588 1.00 0.00 C ATOM 467 C CYS B 25 0.975 -1.974 7.071 1.00 0.00 C ATOM 468 O CYS B 25 1.930 -1.700 6.347 1.00 0.00 O ATOM 469 CB CYS B 25 2.294 -2.537 9.162 1.00 0.00 C ATOM 470 SG CYS B 25 2.327 -2.657 10.987 1.00 0.00 S ATOM 0 H CYS B 25 -0.475 -3.189 8.852 1.00 0.00 H new ATOM 0 HA CYS B 25 1.223 -0.753 8.827 1.00 0.00 H new ATOM 0 HB2 CYS B 25 2.326 -3.544 8.745 1.00 0.00 H new ATOM 0 HB3 CYS B 25 3.197 -2.026 8.829 1.00 0.00 H new ATOM 471 N VAL B 26 -0.193 -2.423 6.635 1.00 0.00 N ATOM 472 CA VAL B 26 -0.433 -2.629 5.217 1.00 0.00 C ATOM 473 C VAL B 26 -0.859 -1.306 4.578 1.00 0.00 C ATOM 474 O VAL B 26 -0.692 -1.113 3.375 1.00 0.00 O ATOM 475 CB VAL B 26 -1.460 -3.747 5.018 1.00 0.00 C ATOM 476 CG1 VAL B 26 -1.612 -4.093 3.536 1.00 0.00 C ATOM 477 CG2 VAL B 26 -1.087 -4.986 5.835 1.00 0.00 C ATOM 0 H VAL B 26 -0.983 -2.650 7.239 1.00 0.00 H new ATOM 0 HA VAL B 26 0.481 -2.951 4.718 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.423 -3.386 5.379 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.347 -4.890 3.422 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.945 -3.211 2.989 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.652 -4.425 3.140 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.833 -5.765 5.676 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -0.109 -5.350 5.519 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -1.053 -4.727 6.893 1.00 0.00 H new ATOM 478 N CYS B 27 -1.399 -0.431 5.411 1.00 0.00 N ATOM 479 CA CYS B 27 -1.850 0.870 4.943 1.00 0.00 C ATOM 480 C CYS B 27 -0.663 1.833 4.985 1.00 0.00 C ATOM 481 O CYS B 27 -0.435 2.585 4.038 1.00 0.00 O ATOM 482 CB CYS B 27 -3.034 1.387 5.762 1.00 0.00 C ATOM 483 SG CYS B 27 -4.258 2.362 4.812 1.00 0.00 S ATOM 0 H CYS B 27 -1.535 -0.596 6.408 1.00 0.00 H new ATOM 0 HA CYS B 27 -2.212 0.785 3.918 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -3.542 0.537 6.217 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -2.653 2.003 6.576 1.00 0.00 H new ATOM 484 N PRO B 28 0.082 1.779 6.122 1.00 0.00 N ATOM 485 CA PRO B 28 1.240 2.639 6.300 1.00 0.00 C ATOM 486 C PRO B 28 2.421 2.147 5.461 1.00 0.00 C ATOM 487 O PRO B 28 3.436 2.833 5.350 1.00 0.00 O ATOM 488 CB PRO B 28 1.521 2.616 7.793 1.00 0.00 C ATOM 489 CG PRO B 28 0.806 1.388 8.333 1.00 0.00 C ATOM 490 CD PRO B 28 -0.159 0.902 7.264 1.00 0.00 C ATOM 0 HA PRO B 28 1.064 3.659 5.958 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.592 2.562 7.988 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.155 3.524 8.273 1.00 0.00 H new ATOM 0 HG2 PRO B 28 1.524 0.607 8.582 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.269 1.631 9.250 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.026 -0.141 7.008 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.193 0.969 7.604 1.00 0.00 H new ATOM 491 N THR B 29 2.250 0.961 4.894 1.00 0.00 N ATOM 492 CA THR B 29 3.290 0.370 4.069 1.00 0.00 C ATOM 493 C THR B 29 3.514 1.209 2.810 1.00 0.00 C ATOM 494 O THR B 29 4.648 1.373 2.363 1.00 0.00 O ATOM 495 CB THR B 29 2.891 -1.077 3.772 1.00 0.00 C ATOM 496 OG1 THR B 29 1.510 -1.135 4.118 1.00 0.00 O ATOM 497 CG2 THR B 29 3.556 -2.075 4.722 1.00 0.00 C ATOM 0 H THR B 29 1.407 0.394 4.990 1.00 0.00 H new ATOM 0 HA THR B 29 4.248 0.359 4.588 1.00 0.00 H new ATOM 0 HB THR B 29 3.157 -1.323 2.744 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.966 -1.057 3.307 1.00 0.00 H new ATOM 0 HG21 THR B 29 3.239 -3.086 4.468 1.00 0.00 H new ATOM 0 HG22 THR B 29 4.639 -2.000 4.628 1.00 0.00 H new ATOM 0 HG23 THR B 29 3.264 -1.851 5.748 1.00 0.00 H new ATOM 498 N LEU B 30 2.415 1.718 2.273 1.00 0.00 N ATOM 499 CA LEU B 30 2.478 2.537 1.074 1.00 0.00 C ATOM 500 C LEU B 30 3.565 3.600 1.244 1.00 0.00 C ATOM 501 O LEU B 30 4.442 3.739 0.393 1.00 0.00 O ATOM 502 CB LEU B 30 1.099 3.114 0.747 1.00 0.00 C ATOM 503 CG LEU B 30 0.919 4.612 1.007 1.00 0.00 C ATOM 504 CD1 LEU B 30 1.844 5.438 0.112 1.00 0.00 C ATOM 505 CD2 LEU B 30 -0.546 5.022 0.852 1.00 0.00 C ATOM 0 H LEU B 30 1.476 1.579 2.646 1.00 0.00 H new ATOM 0 HA LEU B 30 2.757 1.931 0.212 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.886 2.920 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.353 2.572 1.329 1.00 0.00 H new ATOM 0 HG LEU B 30 1.203 4.817 2.039 1.00 0.00 H new ATOM 0 HD11 LEU B 30 1.696 6.498 0.316 1.00 0.00 H new ATOM 0 HD12 LEU B 30 2.881 5.170 0.315 1.00 0.00 H new ATOM 0 HD13 LEU B 30 1.615 5.235 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.647 6.091 1.042 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -0.881 4.800 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.156 4.468 1.565 1.00 0.00 H new ATOM 506 N LYS B 31 3.472 4.325 2.350 1.00 0.00 N ATOM 507 CA LYS B 31 4.436 5.372 2.642 1.00 0.00 C ATOM 508 C LYS B 31 5.837 4.889 2.262 1.00 0.00 C ATOM 509 O LYS B 31 6.646 5.661 1.750 1.00 0.00 O ATOM 510 CB LYS B 31 4.314 5.820 4.100 1.00 0.00 C ATOM 511 CG LYS B 31 5.168 4.942 5.016 1.00 0.00 C ATOM 512 CD LYS B 31 6.592 5.492 5.131 1.00 0.00 C ATOM 513 CE LYS B 31 6.857 6.042 6.534 1.00 0.00 C ATOM 514 NZ LYS B 31 8.310 6.079 6.810 1.00 0.00 N ATOM 0 H LYS B 31 2.744 4.208 3.054 1.00 0.00 H new ATOM 0 HA LYS B 31 4.230 6.258 2.042 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.627 6.860 4.192 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.271 5.772 4.413 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.713 4.891 6.005 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.198 3.924 4.626 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.309 4.703 4.904 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.742 6.280 4.393 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.438 7.044 6.623 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.356 5.420 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 8.472 6.455 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 8.700 5.117 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 8.780 6.691 6.113 1.00 0.00 H new ATOM 515 N GLN B 32 6.081 3.614 2.528 1.00 0.00 N ATOM 516 CA GLN B 32 7.371 3.019 2.220 1.00 0.00 C ATOM 517 C GLN B 32 7.569 2.934 0.706 1.00 0.00 C ATOM 518 O GLN B 32 8.646 3.243 0.199 1.00 0.00 O ATOM 519 CB GLN B 32 7.506 1.640 2.868 1.00 0.00 C ATOM 520 CG GLN B 32 8.618 1.635 3.920 1.00 0.00 C ATOM 521 CD GLN B 32 9.775 0.732 3.491 1.00 0.00 C ATOM 522 OE1 GLN B 32 10.226 0.754 2.357 1.00 0.00 O ATOM 523 NE2 GLN B 32 10.229 -0.062 4.457 1.00 0.00 N ATOM 0 H GLN B 32 5.408 2.977 2.953 1.00 0.00 H new ATOM 0 HA GLN B 32 8.152 3.658 2.633 1.00 0.00 H new ATOM 0 HB2 GLN B 32 6.561 1.358 3.332 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.721 0.894 2.103 1.00 0.00 H new ATOM 0 HG2 GLN B 32 8.983 2.651 4.074 1.00 0.00 H new ATOM 0 HG3 GLN B 32 8.219 1.292 4.874 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.806 -0.030 5.385 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.000 -0.703 4.270 1.00 0.00 H new ATOM 524 N ALA B 33 6.512 2.517 0.025 1.00 0.00 N ATOM 525 CA ALA B 33 6.556 2.388 -1.422 1.00 0.00 C ATOM 526 C ALA B 33 6.916 3.741 -2.039 1.00 0.00 C ATOM 527 O ALA B 33 7.665 3.804 -3.013 1.00 0.00 O ATOM 528 CB ALA B 33 5.213 1.856 -1.928 1.00 0.00 C ATOM 0 H ALA B 33 5.619 2.264 0.449 1.00 0.00 H new ATOM 0 HA ALA B 33 7.324 1.674 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA B 33 5.246 1.759 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.017 0.881 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.419 2.549 -1.649 1.00 0.00 H new ATOM 529 N ALA B 34 6.367 4.791 -1.446 1.00 0.00 N ATOM 530 CA ALA B 34 6.622 6.139 -1.925 1.00 0.00 C ATOM 531 C ALA B 34 8.103 6.473 -1.733 1.00 0.00 C ATOM 532 O ALA B 34 8.715 7.109 -2.589 1.00 0.00 O ATOM 533 CB ALA B 34 5.703 7.121 -1.195 1.00 0.00 C ATOM 0 H ALA B 34 5.747 4.736 -0.638 1.00 0.00 H new ATOM 0 HA ALA B 34 6.403 6.216 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA B 34 5.893 8.133 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.663 6.858 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.897 7.073 -0.124 1.00 0.00 H new ATOM 534 N LYS B 35 8.635 6.027 -0.605 1.00 0.00 N ATOM 535 CA LYS B 35 10.032 6.271 -0.290 1.00 0.00 C ATOM 536 C LYS B 35 10.866 6.165 -1.569 1.00 0.00 C ATOM 537 O LYS B 35 11.550 7.113 -1.949 1.00 0.00 O ATOM 538 CB LYS B 35 10.501 5.337 0.828 1.00 0.00 C ATOM 539 CG LYS B 35 12.001 5.494 1.082 1.00 0.00 C ATOM 540 CD LYS B 35 12.809 4.535 0.207 1.00 0.00 C ATOM 541 CE LYS B 35 14.174 4.240 0.832 1.00 0.00 C ATOM 542 NZ LYS B 35 14.036 3.286 1.955 1.00 0.00 N ATOM 0 H LYS B 35 8.124 5.498 0.102 1.00 0.00 H new ATOM 0 HA LYS B 35 10.164 7.282 0.094 1.00 0.00 H new ATOM 0 HB2 LYS B 35 9.949 5.554 1.743 1.00 0.00 H new ATOM 0 HB3 LYS B 35 10.280 4.304 0.560 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.303 6.521 0.876 1.00 0.00 H new ATOM 0 HG3 LYS B 35 12.217 5.303 2.133 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.257 3.605 0.075 1.00 0.00 H new ATOM 0 HD3 LYS B 35 12.945 4.968 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.844 3.828 0.078 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.625 5.166 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.973 2.915 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 13.619 3.772 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 13.419 2.499 1.668 1.00 0.00 H new ATOM 543 N SER B 36 10.779 5.002 -2.198 1.00 0.00 N ATOM 544 CA SER B 36 11.516 4.759 -3.426 1.00 0.00 C ATOM 545 C SER B 36 10.931 5.600 -4.563 1.00 0.00 C ATOM 546 O SER B 36 11.660 6.310 -5.254 1.00 0.00 O ATOM 547 CB SER B 36 11.492 3.276 -3.799 1.00 0.00 C ATOM 548 OG SER B 36 12.091 2.463 -2.793 1.00 0.00 O ATOM 0 H SER B 36 10.209 4.218 -1.880 1.00 0.00 H new ATOM 0 HA SER B 36 12.554 5.049 -3.264 1.00 0.00 H new ATOM 0 HB2 SER B 36 10.461 2.958 -3.956 1.00 0.00 H new ATOM 0 HB3 SER B 36 12.017 3.131 -4.743 1.00 0.00 H new ATOM 0 HG SER B 36 12.055 1.523 -3.068 1.00 0.00 H new ATOM 549 N VAL B 37 9.619 5.495 -4.720 1.00 0.00 N ATOM 550 CA VAL B 37 8.929 6.238 -5.760 1.00 0.00 C ATOM 551 C VAL B 37 9.271 7.723 -5.634 1.00 0.00 C ATOM 552 O VAL B 37 10.087 8.242 -6.394 1.00 0.00 O ATOM 553 CB VAL B 37 7.425 5.963 -5.689 1.00 0.00 C ATOM 554 CG1 VAL B 37 6.693 6.609 -6.866 1.00 0.00 C ATOM 555 CG2 VAL B 37 7.145 4.460 -5.628 1.00 0.00 C ATOM 0 H VAL B 37 9.016 4.907 -4.144 1.00 0.00 H new ATOM 0 HA VAL B 37 9.260 5.911 -6.746 1.00 0.00 H new ATOM 0 HB VAL B 37 7.046 6.412 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL B 37 5.626 6.398 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.852 7.687 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.078 6.203 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL B 37 6.069 4.292 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.546 3.979 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.620 4.037 -4.743 1.00 0.00 H new ATOM 556 N ARG B 38 8.631 8.365 -4.668 1.00 0.00 N ATOM 557 CA ARG B 38 8.858 9.780 -4.432 1.00 0.00 C ATOM 558 C ARG B 38 10.098 10.253 -5.192 1.00 0.00 C ATOM 559 O ARG B 38 9.985 10.950 -6.200 1.00 0.00 O ATOM 560 CB ARG B 38 9.043 10.067 -2.940 1.00 0.00 C ATOM 561 CG ARG B 38 9.645 11.457 -2.720 1.00 0.00 C ATOM 562 CD ARG B 38 11.117 11.358 -2.315 1.00 0.00 C ATOM 563 NE ARG B 38 11.373 12.201 -1.126 1.00 0.00 N ATOM 564 CZ ARG B 38 11.212 11.782 0.147 1.00 0.00 C ATOM 565 NH1 ARG B 38 10.795 10.525 0.408 1.00 0.00 N ATOM 566 NH2 ARG B 38 11.470 12.620 1.134 1.00 0.00 N ATOM 0 H ARG B 38 7.955 7.931 -4.039 1.00 0.00 H new ATOM 0 HA ARG B 38 7.981 10.320 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG B 38 8.082 9.998 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG B 38 9.693 9.311 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG B 38 9.554 12.046 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG B 38 9.085 11.981 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG B 38 11.374 10.321 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG B 38 11.752 11.678 -3.141 1.00 0.00 H new ATOM 0 HE ARG B 38 11.691 13.158 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG B 38 10.599 9.883 -0.360 1.00 0.00 H new ATOM 0 HH12 ARG B 38 10.676 10.217 1.373 1.00 0.00 H new ATOM 0 HH21 ARG B 38 11.786 13.568 0.929 1.00 0.00 H new ATOM 0 HH22 ARG B 38 11.354 12.320 2.102 1.00 0.00 H new ATOM 567 N VAL B 39 11.254 9.857 -4.681 1.00 0.00 N ATOM 568 CA VAL B 39 12.514 10.231 -5.299 1.00 0.00 C ATOM 569 C VAL B 39 12.236 11.108 -6.522 1.00 0.00 C ATOM 570 O VAL B 39 12.236 10.622 -7.652 1.00 0.00 O ATOM 571 CB VAL B 39 13.325 8.978 -5.635 1.00 0.00 C ATOM 572 CG1 VAL B 39 14.538 9.325 -6.501 1.00 0.00 C ATOM 573 CG2 VAL B 39 13.753 8.245 -4.362 1.00 0.00 C ATOM 0 H VAL B 39 11.344 9.280 -3.845 1.00 0.00 H new ATOM 0 HA VAL B 39 13.119 10.818 -4.608 1.00 0.00 H new ATOM 0 HB VAL B 39 12.684 8.308 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL B 39 15.097 8.416 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL B 39 14.202 9.783 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL B 39 15.180 10.023 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL B 39 14.328 7.358 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL B 39 14.368 8.906 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL B 39 12.869 7.948 -3.798 1.00 0.00 H new ATOM 574 N GLN B 40 12.007 12.385 -6.254 1.00 0.00 N ATOM 575 CA GLN B 40 11.729 13.335 -7.318 1.00 0.00 C ATOM 576 C GLN B 40 11.736 12.628 -8.676 1.00 0.00 C ATOM 577 O GLN B 40 10.830 11.855 -8.981 1.00 0.00 O ATOM 578 CB GLN B 40 12.730 14.491 -7.297 1.00 0.00 C ATOM 579 CG GLN B 40 12.469 15.464 -8.450 1.00 0.00 C ATOM 580 CD GLN B 40 13.779 15.878 -9.125 1.00 0.00 C ATOM 581 OE1 GLN B 40 14.762 16.207 -8.481 1.00 0.00 O ATOM 582 NE2 GLN B 40 13.737 15.844 -10.454 1.00 0.00 N ATOM 0 H GLN B 40 12.008 12.784 -5.315 1.00 0.00 H new ATOM 0 HA GLN B 40 10.737 13.755 -7.153 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.660 15.020 -6.347 1.00 0.00 H new ATOM 0 HB3 GLN B 40 13.745 14.099 -7.369 1.00 0.00 H new ATOM 0 HG2 GLN B 40 11.810 14.998 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN B 40 11.954 16.348 -8.075 1.00 0.00 H new ATOM 0 HE21 GLN B 40 12.881 15.559 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN B 40 14.561 16.103 -10.997 1.00 0.00 H new ATOM 583 N GLY B 41 12.769 12.918 -9.453 1.00 0.00 N ATOM 584 CA GLY B 41 12.906 12.320 -10.770 1.00 0.00 C ATOM 585 C GLY B 41 11.577 12.355 -11.528 1.00 0.00 C ATOM 586 O GLY B 41 11.254 13.349 -12.176 1.00 0.00 O ATOM 0 H GLY B 41 13.519 13.559 -9.196 1.00 0.00 H new ATOM 0 HA2 GLY B 41 13.667 12.854 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY B 41 13.246 11.289 -10.672 1.00 0.00 H new ATOM 587 N GLN B 42 10.843 11.257 -11.423 1.00 0.00 N ATOM 588 CA GLN B 42 9.558 11.149 -12.091 1.00 0.00 C ATOM 589 C GLN B 42 8.464 11.805 -11.246 1.00 0.00 C ATOM 590 O GLN B 42 7.315 11.895 -11.674 1.00 0.00 O ATOM 591 CB GLN B 42 9.216 9.688 -12.390 1.00 0.00 C ATOM 592 CG GLN B 42 9.157 9.437 -13.898 1.00 0.00 C ATOM 593 CD GLN B 42 7.737 9.639 -14.432 1.00 0.00 C ATOM 594 OE1 GLN B 42 7.186 8.808 -15.135 1.00 0.00 O ATOM 595 NE2 GLN B 42 7.179 10.787 -14.061 1.00 0.00 N ATOM 0 H GLN B 42 11.114 10.434 -10.885 1.00 0.00 H new ATOM 0 HA GLN B 42 9.621 11.676 -13.043 1.00 0.00 H new ATOM 0 HB2 GLN B 42 9.963 9.036 -11.938 1.00 0.00 H new ATOM 0 HB3 GLN B 42 8.257 9.435 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN B 42 9.842 10.113 -14.410 1.00 0.00 H new ATOM 0 HG3 GLN B 42 9.490 8.422 -14.115 1.00 0.00 H new ATOM 0 HE21 GLN B 42 7.697 11.438 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN B 42 6.233 11.016 -14.366 1.00 0.00 H new ATOM 596 N HIS B 43 8.861 12.248 -10.063 1.00 0.00 N ATOM 597 CA HIS B 43 7.929 12.895 -9.154 1.00 0.00 C ATOM 598 C HIS B 43 8.379 14.333 -8.895 1.00 0.00 C ATOM 599 O HIS B 43 8.550 14.737 -7.746 1.00 0.00 O ATOM 600 CB HIS B 43 7.772 12.082 -7.868 1.00 0.00 C ATOM 601 CG HIS B 43 6.480 12.341 -7.130 1.00 0.00 C ATOM 602 ND1 HIS B 43 6.018 11.522 -6.116 1.00 0.00 N ATOM 603 CD2 HIS B 43 5.559 13.338 -7.270 1.00 0.00 C ATOM 604 CE1 HIS B 43 4.869 12.011 -5.673 1.00 0.00 C ATOM 605 NE2 HIS B 43 4.586 13.136 -6.390 1.00 0.00 N ATOM 0 H HIS B 43 9.816 12.172 -9.712 1.00 0.00 H new ATOM 0 HA HIS B 43 6.940 12.938 -9.611 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.833 11.021 -8.111 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.608 12.305 -7.205 1.00 0.00 H new ATOM 0 HD2 HIS B 43 5.613 14.153 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS B 43 4.263 11.592 -4.883 1.00 0.00 H new ATOM 0 HE2 HIS B 43 3.762 13.725 -6.270 1.00 0.00 H new ATOM 606 N GLY B 44 8.557 15.069 -9.983 1.00 0.00 N ATOM 607 CA GLY B 44 8.985 16.455 -9.887 1.00 0.00 C ATOM 608 C GLY B 44 8.438 17.110 -8.618 1.00 0.00 C ATOM 609 O GLY B 44 9.200 17.636 -7.808 1.00 0.00 O ATOM 0 H GLY B 44 8.413 14.732 -10.935 1.00 0.00 H new ATOM 0 HA2 GLY B 44 10.074 16.504 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY B 44 8.642 17.007 -10.762 1.00 0.00 H new ATOM 610 N PRO B 45 7.086 17.059 -8.481 1.00 0.00 N ATOM 611 CA PRO B 45 6.428 17.641 -7.323 1.00 0.00 C ATOM 612 C PRO B 45 6.623 16.766 -6.084 1.00 0.00 C ATOM 613 O PRO B 45 6.761 15.549 -6.193 1.00 0.00 O ATOM 614 CB PRO B 45 4.970 17.780 -7.728 1.00 0.00 C ATOM 615 CG PRO B 45 4.776 16.849 -8.914 1.00 0.00 C ATOM 616 CD PRO B 45 6.151 16.444 -9.419 1.00 0.00 C ATOM 0 HA PRO B 45 6.845 18.609 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO B 45 4.309 17.508 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO B 45 4.736 18.810 -7.998 1.00 0.00 H new ATOM 0 HG2 PRO B 45 4.203 15.970 -8.619 1.00 0.00 H new ATOM 0 HG3 PRO B 45 4.212 17.347 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO B 45 6.263 15.360 -9.436 1.00 0.00 H new ATOM 0 HD3 PRO B 45 6.320 16.798 -10.436 1.00 0.00 H new ATOM 617 N PHE B 46 6.628 17.421 -4.931 1.00 0.00 N ATOM 618 CA PHE B 46 6.804 16.718 -3.672 1.00 0.00 C ATOM 619 C PHE B 46 5.555 16.841 -2.796 1.00 0.00 C ATOM 620 O PHE B 46 4.943 17.905 -2.728 1.00 0.00 O ATOM 621 CB PHE B 46 7.983 17.377 -2.953 1.00 0.00 C ATOM 622 CG PHE B 46 9.018 17.996 -3.894 1.00 0.00 C ATOM 623 CD1 PHE B 46 9.618 17.230 -4.844 1.00 0.00 C ATOM 624 CD2 PHE B 46 9.338 19.313 -3.781 1.00 0.00 C ATOM 625 CE1 PHE B 46 10.579 17.805 -5.717 1.00 0.00 C ATOM 626 CE2 PHE B 46 10.299 19.888 -4.654 1.00 0.00 C ATOM 627 CZ PHE B 46 10.899 19.121 -5.604 1.00 0.00 C ATOM 0 H PHE B 46 6.513 18.431 -4.843 1.00 0.00 H new ATOM 0 HA PHE B 46 6.981 15.659 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE B 46 7.602 18.152 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE B 46 8.475 16.633 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.364 16.184 -4.934 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.861 19.922 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.056 17.196 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.553 20.934 -4.564 1.00 0.00 H new ATOM 0 HZ PHE B 46 11.630 19.558 -6.268 1.00 0.00 H new ATOM 628 N GLN B 47 5.214 15.736 -2.149 1.00 0.00 N ATOM 629 CA GLN B 47 4.049 15.707 -1.281 1.00 0.00 C ATOM 630 C GLN B 47 3.958 14.360 -0.561 1.00 0.00 C ATOM 631 O GLN B 47 2.894 13.744 -0.523 1.00 0.00 O ATOM 632 CB GLN B 47 2.770 15.995 -2.070 1.00 0.00 C ATOM 633 CG GLN B 47 2.400 17.478 -1.992 1.00 0.00 C ATOM 634 CD GLN B 47 0.901 17.655 -1.742 1.00 0.00 C ATOM 635 OE1 GLN B 47 0.471 18.444 -0.916 1.00 0.00 O ATOM 636 NE2 GLN B 47 0.131 16.881 -2.502 1.00 0.00 N ATOM 0 H GLN B 47 5.724 14.855 -2.208 1.00 0.00 H new ATOM 0 HA GLN B 47 4.158 16.491 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN B 47 2.908 15.705 -3.112 1.00 0.00 H new ATOM 0 HB3 GLN B 47 1.952 15.391 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN B 47 2.965 17.956 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN B 47 2.679 17.976 -2.921 1.00 0.00 H new ATOM 0 HE21 GLN B 47 0.556 16.242 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -0.884 16.927 -2.413 1.00 0.00 H new ATOM 637 N SER B 48 5.087 13.943 -0.008 1.00 0.00 N ATOM 638 CA SER B 48 5.148 12.681 0.709 1.00 0.00 C ATOM 639 C SER B 48 4.094 12.658 1.819 1.00 0.00 C ATOM 640 O SER B 48 3.248 11.766 1.856 1.00 0.00 O ATOM 641 CB SER B 48 6.541 12.447 1.296 1.00 0.00 C ATOM 642 OG SER B 48 7.555 13.113 0.547 1.00 0.00 O ATOM 0 H SER B 48 5.967 14.457 -0.042 1.00 0.00 H new ATOM 0 HA SER B 48 4.941 11.877 0.003 1.00 0.00 H new ATOM 0 HB2 SER B 48 6.563 12.798 2.328 1.00 0.00 H new ATOM 0 HB3 SER B 48 6.750 11.377 1.318 1.00 0.00 H new ATOM 0 HG SER B 48 8.429 12.940 0.955 1.00 0.00 H new ATOM 643 N THR B 49 4.181 13.648 2.694 1.00 0.00 N ATOM 644 CA THR B 49 3.245 13.753 3.801 1.00 0.00 C ATOM 645 C THR B 49 1.811 13.544 3.309 1.00 0.00 C ATOM 646 O THR B 49 1.003 12.914 3.988 1.00 0.00 O ATOM 647 CB THR B 49 3.464 15.106 4.479 1.00 0.00 C ATOM 648 OG1 THR B 49 3.878 14.769 5.800 1.00 0.00 O ATOM 649 CG2 THR B 49 2.159 15.877 4.682 1.00 0.00 C ATOM 0 H THR B 49 4.885 14.385 2.659 1.00 0.00 H new ATOM 0 HA THR B 49 3.418 12.971 4.541 1.00 0.00 H new ATOM 0 HB THR B 49 4.150 15.705 3.880 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.044 15.589 6.310 1.00 0.00 H new ATOM 0 HG21 THR B 49 2.371 16.830 5.167 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.689 16.058 3.715 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.485 15.293 5.309 1.00 0.00 H new ATOM 650 N ARG B 50 1.540 14.086 2.131 1.00 0.00 N ATOM 651 CA ARG B 50 0.218 13.968 1.539 1.00 0.00 C ATOM 652 C ARG B 50 0.062 12.609 0.854 1.00 0.00 C ATOM 653 O ARG B 50 -0.655 11.739 1.347 1.00 0.00 O ATOM 654 CB ARG B 50 -0.030 15.079 0.517 1.00 0.00 C ATOM 655 CG ARG B 50 -1.319 15.839 0.833 1.00 0.00 C ATOM 656 CD ARG B 50 -1.021 17.129 1.600 1.00 0.00 C ATOM 657 NE ARG B 50 -2.284 17.753 2.054 1.00 0.00 N ATOM 658 CZ ARG B 50 -3.041 18.554 1.294 1.00 0.00 C ATOM 659 NH1 ARG B 50 -2.668 18.836 0.038 1.00 0.00 N ATOM 660 NH2 ARG B 50 -4.173 19.074 1.790 1.00 0.00 N ATOM 0 H ARG B 50 2.213 14.608 1.570 1.00 0.00 H new ATOM 0 HA ARG B 50 -0.514 14.060 2.342 1.00 0.00 H new ATOM 0 HB2 ARG B 50 0.813 15.771 0.515 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -0.093 14.650 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -1.843 16.075 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -1.983 15.207 1.422 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.384 16.913 2.458 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.472 17.822 0.962 1.00 0.00 H new ATOM 0 HE ARG B 50 -2.597 17.561 3.005 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.807 18.440 -0.339 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.245 19.446 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -4.457 18.859 2.746 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -4.750 19.684 1.211 1.00 0.00 H new ATOM 661 N ILE B 51 0.746 12.469 -0.272 1.00 0.00 N ATOM 662 CA ILE B 51 0.692 11.231 -1.031 1.00 0.00 C ATOM 663 C ILE B 51 0.617 10.048 -0.063 1.00 0.00 C ATOM 664 O ILE B 51 -0.067 9.062 -0.334 1.00 0.00 O ATOM 665 CB ILE B 51 1.866 11.150 -2.009 1.00 0.00 C ATOM 666 CG1 ILE B 51 1.824 9.847 -2.810 1.00 0.00 C ATOM 667 CG2 ILE B 51 3.200 11.334 -1.281 1.00 0.00 C ATOM 668 CD1 ILE B 51 1.159 10.061 -4.171 1.00 0.00 C ATOM 0 H ILE B 51 1.340 13.192 -0.677 1.00 0.00 H new ATOM 0 HA ILE B 51 -0.208 11.200 -1.645 1.00 0.00 H new ATOM 0 HB ILE B 51 1.773 11.969 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE B 51 2.837 9.470 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE B 51 1.277 9.089 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE B 51 4.018 11.272 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE B 51 3.217 12.309 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE B 51 3.316 10.552 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE B 51 1.142 9.119 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE B 51 0.138 10.415 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE B 51 1.722 10.802 -4.739 1.00 0.00 H new ATOM 669 N TYR B 52 1.327 10.186 1.047 1.00 0.00 N ATOM 670 CA TYR B 52 1.349 9.141 2.057 1.00 0.00 C ATOM 671 C TYR B 52 -0.044 8.925 2.652 1.00 0.00 C ATOM 672 O TYR B 52 -0.541 7.801 2.685 1.00 0.00 O ATOM 673 CB TYR B 52 2.290 9.638 3.157 1.00 0.00 C ATOM 674 CG TYR B 52 3.773 9.424 2.850 1.00 0.00 C ATOM 675 CD1 TYR B 52 4.231 9.528 1.552 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.653 9.127 3.871 1.00 0.00 C ATOM 677 CE1 TYR B 52 5.629 9.327 1.263 1.00 0.00 C ATOM 678 CE2 TYR B 52 6.049 8.925 3.583 1.00 0.00 C ATOM 679 CZ TYR B 52 6.468 9.035 2.293 1.00 0.00 C ATOM 680 OH TYR B 52 7.787 8.845 2.021 1.00 0.00 O ATOM 0 H TYR B 52 1.892 11.006 1.269 1.00 0.00 H new ATOM 0 HA TYR B 52 1.675 8.195 1.624 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.113 10.701 3.320 1.00 0.00 H new ATOM 0 HB3 TYR B 52 2.045 9.128 4.089 1.00 0.00 H new ATOM 0 HD1 TYR B 52 3.542 9.760 0.753 1.00 0.00 H new ATOM 0 HD2 TYR B 52 4.294 9.046 4.886 1.00 0.00 H new ATOM 0 HE1 TYR B 52 6.001 9.406 0.252 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.748 8.691 4.373 1.00 0.00 H new ATOM 0 HH TYR B 52 8.267 8.645 2.852 1.00 0.00 H new ATOM 681 N GLN B 53 -0.634 10.020 3.108 1.00 0.00 N ATOM 682 CA GLN B 53 -1.959 9.964 3.701 1.00 0.00 C ATOM 683 C GLN B 53 -3.029 9.951 2.608 1.00 0.00 C ATOM 684 O GLN B 53 -3.821 9.013 2.520 1.00 0.00 O ATOM 685 CB GLN B 53 -2.177 11.131 4.667 1.00 0.00 C ATOM 686 CG GLN B 53 -3.664 11.315 4.976 1.00 0.00 C ATOM 687 CD GLN B 53 -4.271 12.424 4.113 1.00 0.00 C ATOM 688 OE1 GLN B 53 -3.606 13.052 3.305 1.00 0.00 O ATOM 689 NE2 GLN B 53 -5.567 12.629 4.328 1.00 0.00 N ATOM 0 H GLN B 53 -0.219 10.951 3.079 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.041 9.040 4.274 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.629 10.950 5.592 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -1.776 12.047 4.233 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.194 10.380 4.798 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.792 11.559 6.031 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.064 12.068 5.019 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.064 13.348 3.801 1.00 0.00 H new ATOM 690 N ILE B 54 -3.019 11.001 1.801 1.00 0.00 N ATOM 691 CA ILE B 54 -3.979 11.121 0.717 1.00 0.00 C ATOM 692 C ILE B 54 -4.250 9.737 0.126 1.00 0.00 C ATOM 693 O ILE B 54 -5.341 9.192 0.287 1.00 0.00 O ATOM 694 CB ILE B 54 -3.499 12.146 -0.313 1.00 0.00 C ATOM 695 CG1 ILE B 54 -2.161 11.723 -0.925 1.00 0.00 C ATOM 696 CG2 ILE B 54 -3.432 13.547 0.297 1.00 0.00 C ATOM 697 CD1 ILE B 54 -2.355 11.165 -2.337 1.00 0.00 C ATOM 0 H ILE B 54 -2.361 11.777 1.876 1.00 0.00 H new ATOM 0 HA ILE B 54 -4.930 11.500 1.091 1.00 0.00 H new ATOM 0 HB ILE B 54 -4.227 12.182 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -1.486 12.578 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -1.691 10.969 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -3.088 14.256 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -4.422 13.840 0.645 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -2.738 13.545 1.137 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -1.389 10.872 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -3.011 10.296 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -2.803 11.929 -2.972 1.00 0.00 H new ATOM 698 N ALA B 55 -3.239 9.207 -0.548 1.00 0.00 N ATOM 699 CA ALA B 55 -3.355 7.896 -1.164 1.00 0.00 C ATOM 700 C ALA B 55 -3.644 6.853 -0.082 1.00 0.00 C ATOM 701 O ALA B 55 -3.646 7.169 1.106 1.00 0.00 O ATOM 702 CB ALA B 55 -2.079 7.585 -1.948 1.00 0.00 C ATOM 0 H ALA B 55 -2.336 9.662 -0.681 1.00 0.00 H new ATOM 0 HA ALA B 55 -4.184 7.876 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -2.166 6.602 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -1.935 8.338 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -1.225 7.593 -1.271 1.00 0.00 H new ATOM 703 N LYS B 56 -3.881 5.630 -0.533 1.00 0.00 N ATOM 704 CA LYS B 56 -4.170 4.538 0.381 1.00 0.00 C ATOM 705 C LYS B 56 -4.455 3.267 -0.421 1.00 0.00 C ATOM 706 O LYS B 56 -3.531 2.607 -0.894 1.00 0.00 O ATOM 707 CB LYS B 56 -5.299 4.926 1.340 1.00 0.00 C ATOM 708 CG LYS B 56 -6.422 5.655 0.598 1.00 0.00 C ATOM 709 CD LYS B 56 -6.779 6.968 1.296 1.00 0.00 C ATOM 710 CE LYS B 56 -8.083 6.831 2.085 1.00 0.00 C ATOM 711 NZ LYS B 56 -8.835 8.106 2.066 1.00 0.00 N ATOM 0 H LYS B 56 -3.879 5.371 -1.520 1.00 0.00 H new ATOM 0 HA LYS B 56 -3.305 4.330 1.010 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -5.696 4.032 1.821 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -4.906 5.565 2.131 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -6.114 5.857 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -7.303 5.015 0.546 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -5.972 7.258 1.968 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -6.879 7.762 0.556 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -8.693 6.036 1.656 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -7.864 6.546 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -9.717 7.997 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -8.257 8.856 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -9.060 8.362 1.083 1.00 0.00 H new ATOM 712 N ASN B 57 -5.738 2.963 -0.552 1.00 0.00 N ATOM 713 CA ASN B 57 -6.156 1.783 -1.289 1.00 0.00 C ATOM 714 C ASN B 57 -5.533 1.813 -2.686 1.00 0.00 C ATOM 715 O ASN B 57 -5.010 0.804 -3.159 1.00 0.00 O ATOM 716 CB ASN B 57 -7.677 1.746 -1.451 1.00 0.00 C ATOM 717 CG ASN B 57 -8.228 0.355 -1.128 1.00 0.00 C ATOM 718 OD1 ASN B 57 -7.642 -0.664 -1.452 1.00 0.00 O ATOM 719 ND2 ASN B 57 -9.385 0.371 -0.472 1.00 0.00 N ATOM 0 H ASN B 57 -6.502 3.514 -0.160 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.831 0.904 -0.732 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -8.135 2.484 -0.793 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.945 2.019 -2.472 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -9.835 -0.506 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -9.822 1.260 -0.231 1.00 0.00 H new ATOM 720 N LEU B 58 -5.608 2.981 -3.308 1.00 0.00 N ATOM 721 CA LEU B 58 -5.057 3.155 -4.641 1.00 0.00 C ATOM 722 C LEU B 58 -5.411 4.552 -5.156 1.00 0.00 C ATOM 723 O LEU B 58 -4.534 5.304 -5.576 1.00 0.00 O ATOM 724 CB LEU B 58 -5.519 2.024 -5.564 1.00 0.00 C ATOM 725 CG LEU B 58 -4.601 0.802 -5.638 1.00 0.00 C ATOM 726 CD1 LEU B 58 -4.725 0.106 -6.994 1.00 0.00 C ATOM 727 CD2 LEU B 58 -3.154 1.184 -5.320 1.00 0.00 C ATOM 0 H LEU B 58 -6.042 3.815 -2.913 1.00 0.00 H new ATOM 0 HA LEU B 58 -3.969 3.090 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.505 1.694 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -5.636 2.427 -6.570 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.920 0.088 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -4.062 -0.759 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -5.754 -0.220 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -4.447 0.801 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.522 0.298 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -2.807 1.926 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.100 1.601 -4.314 1.00 0.00 H new ATOM 728 N PRO B 59 -6.734 4.865 -5.105 1.00 0.00 N ATOM 729 CA PRO B 59 -7.709 3.917 -4.593 1.00 0.00 C ATOM 730 C PRO B 59 -7.976 2.803 -5.608 1.00 0.00 C ATOM 731 O PRO B 59 -7.862 3.018 -6.814 1.00 0.00 O ATOM 732 CB PRO B 59 -8.943 4.749 -4.285 1.00 0.00 C ATOM 733 CG PRO B 59 -8.779 6.043 -5.065 1.00 0.00 C ATOM 734 CD PRO B 59 -7.334 6.125 -5.532 1.00 0.00 C ATOM 0 HA PRO B 59 -7.362 3.398 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -9.851 4.226 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.025 4.945 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -9.458 6.064 -5.918 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.027 6.900 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -7.274 6.246 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -6.822 6.978 -5.087 1.00 0.00 H new ATOM 735 N ASN B 60 -8.326 1.639 -5.082 1.00 0.00 N ATOM 736 CA ASN B 60 -8.611 0.492 -5.927 1.00 0.00 C ATOM 737 C ASN B 60 -8.375 -0.794 -5.131 1.00 0.00 C ATOM 738 O ASN B 60 -9.325 -1.475 -4.751 1.00 0.00 O ATOM 739 CB ASN B 60 -7.690 0.466 -7.150 1.00 0.00 C ATOM 740 CG ASN B 60 -8.414 0.994 -8.391 1.00 0.00 C ATOM 741 OD1 ASN B 60 -7.966 1.912 -9.057 1.00 0.00 O ATOM 742 ND2 ASN B 60 -9.553 0.365 -8.662 1.00 0.00 N ATOM 0 H ASN B 60 -8.419 1.465 -4.081 1.00 0.00 H new ATOM 0 HA ASN B 60 -9.647 0.566 -6.257 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -6.804 1.071 -6.956 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.347 -0.553 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -10.110 0.644 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -9.870 -0.396 -8.062 1.00 0.00 H new ATOM 743 N VAL B 61 -7.103 -1.086 -4.904 1.00 0.00 N ATOM 744 CA VAL B 61 -6.729 -2.277 -4.159 1.00 0.00 C ATOM 745 C VAL B 61 -7.992 -3.063 -3.798 1.00 0.00 C ATOM 746 O VAL B 61 -8.350 -4.018 -4.486 1.00 0.00 O ATOM 747 CB VAL B 61 -5.895 -1.891 -2.937 1.00 0.00 C ATOM 748 CG1 VAL B 61 -6.151 -2.851 -1.774 1.00 0.00 C ATOM 749 CG2 VAL B 61 -4.407 -1.834 -3.285 1.00 0.00 C ATOM 0 H VAL B 61 -6.318 -0.518 -5.223 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.103 -2.928 -4.769 1.00 0.00 H new ATOM 0 HB VAL B 61 -6.203 -0.894 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -5.546 -2.554 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -7.206 -2.819 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -5.884 -3.865 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -3.836 -1.557 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -4.078 -2.812 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.244 -1.092 -4.067 1.00 0.00 H new ATOM 750 N CYS B 62 -8.631 -2.631 -2.721 1.00 0.00 N ATOM 751 CA CYS B 62 -9.845 -3.283 -2.261 1.00 0.00 C ATOM 752 C CYS B 62 -11.043 -2.565 -2.886 1.00 0.00 C ATOM 753 O CYS B 62 -11.486 -2.923 -3.976 1.00 0.00 O ATOM 754 CB CYS B 62 -9.929 -3.309 -0.733 1.00 0.00 C ATOM 755 SG CYS B 62 -10.208 -4.966 -0.007 1.00 0.00 S ATOM 0 H CYS B 62 -8.331 -1.838 -2.154 1.00 0.00 H new ATOM 0 HA CYS B 62 -9.842 -4.326 -2.577 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -9.004 -2.900 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.736 -2.649 -0.416 1.00 0.00 H new ATOM 756 N ASN B 63 -11.533 -1.566 -2.168 1.00 0.00 N ATOM 757 CA ASN B 63 -12.671 -0.794 -2.639 1.00 0.00 C ATOM 758 C ASN B 63 -13.539 -0.393 -1.445 1.00 0.00 C ATOM 759 O ASN B 63 -14.761 -0.529 -1.487 1.00 0.00 O ATOM 760 CB ASN B 63 -13.536 -1.616 -3.597 1.00 0.00 C ATOM 761 CG ASN B 63 -13.125 -1.375 -5.051 1.00 0.00 C ATOM 762 OD1 ASN B 63 -12.514 -0.375 -5.392 1.00 0.00 O ATOM 763 ND2 ASN B 63 -13.491 -2.343 -5.884 1.00 0.00 N ATOM 0 H ASN B 63 -11.163 -1.273 -1.264 1.00 0.00 H new ATOM 0 HA ASN B 63 -12.290 0.084 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -13.442 -2.676 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -14.585 -1.352 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -13.262 -2.276 -6.876 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -14.001 -3.153 -5.532 1.00 0.00 H new ATOM 764 N MET B 64 -12.874 0.094 -0.407 1.00 0.00 N ATOM 765 CA MET B 64 -13.569 0.515 0.797 1.00 0.00 C ATOM 766 C MET B 64 -13.035 1.860 1.296 1.00 0.00 C ATOM 767 O MET B 64 -12.095 1.903 2.087 1.00 0.00 O ATOM 768 CB MET B 64 -13.389 -0.542 1.888 1.00 0.00 C ATOM 769 CG MET B 64 -11.930 -0.992 1.979 1.00 0.00 C ATOM 770 SD MET B 64 -11.841 -2.775 2.000 1.00 0.00 S ATOM 771 CE MET B 64 -12.929 -3.155 0.635 1.00 0.00 C ATOM 0 H MET B 64 -11.861 0.206 -0.376 1.00 0.00 H new ATOM 0 HA MET B 64 -14.627 0.629 0.562 1.00 0.00 H new ATOM 0 HB2 MET B 64 -13.709 -0.137 2.848 1.00 0.00 H new ATOM 0 HB3 MET B 64 -14.026 -1.401 1.676 1.00 0.00 H new ATOM 0 HG2 MET B 64 -11.367 -0.602 1.131 1.00 0.00 H new ATOM 0 HG3 MET B 64 -11.471 -0.586 2.881 1.00 0.00 H new ATOM 0 HE1 MET B 64 -12.678 -4.136 0.232 1.00 0.00 H new ATOM 0 HE2 MET B 64 -13.962 -3.160 0.983 1.00 0.00 H new ATOM 0 HE3 MET B 64 -12.812 -2.402 -0.144 1.00 0.00 H new ATOM 772 N LYS B 65 -13.659 2.924 0.812 1.00 0.00 N ATOM 773 CA LYS B 65 -13.259 4.266 1.199 1.00 0.00 C ATOM 774 C LYS B 65 -13.613 4.496 2.670 1.00 0.00 C ATOM 775 O LYS B 65 -13.312 5.549 3.228 1.00 0.00 O ATOM 776 CB LYS B 65 -13.867 5.302 0.252 1.00 0.00 C ATOM 777 CG LYS B 65 -13.930 4.764 -1.180 1.00 0.00 C ATOM 778 CD LYS B 65 -13.884 5.906 -2.197 1.00 0.00 C ATOM 779 CE LYS B 65 -15.295 6.334 -2.607 1.00 0.00 C ATOM 780 NZ LYS B 65 -15.299 6.842 -3.996 1.00 0.00 N ATOM 0 H LYS B 65 -14.439 2.884 0.155 1.00 0.00 H new ATOM 0 HA LYS B 65 -12.179 4.381 1.109 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -14.869 5.565 0.590 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -13.272 6.215 0.276 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -13.096 4.084 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -14.845 4.188 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -13.352 6.756 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -13.326 5.590 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -15.977 5.488 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -15.658 7.107 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -16.264 7.128 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -14.663 7.662 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -14.973 6.094 -4.640 1.00 0.00 H new ATOM 781 N GLN B 66 -14.249 3.492 3.256 1.00 0.00 N ATOM 782 CA GLN B 66 -14.649 3.570 4.650 1.00 0.00 C ATOM 783 C GLN B 66 -13.420 3.492 5.559 1.00 0.00 C ATOM 784 O GLN B 66 -13.331 4.215 6.551 1.00 0.00 O ATOM 785 CB GLN B 66 -15.657 2.473 4.995 1.00 0.00 C ATOM 786 CG GLN B 66 -14.946 1.202 5.465 1.00 0.00 C ATOM 787 CD GLN B 66 -15.954 0.104 5.806 1.00 0.00 C ATOM 788 OE1 GLN B 66 -16.036 -0.373 6.926 1.00 0.00 O ATOM 789 NE2 GLN B 66 -16.714 -0.270 4.781 1.00 0.00 N ATOM 0 H GLN B 66 -14.497 2.619 2.790 1.00 0.00 H new ATOM 0 HA GLN B 66 -15.139 4.530 4.814 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -16.331 2.826 5.775 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -16.269 2.249 4.122 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -14.270 0.850 4.686 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -14.336 1.425 6.340 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -16.593 0.171 3.869 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -17.418 -0.998 4.907 1.00 0.00 H new ATOM 790 N ILE B 67 -12.505 2.609 5.189 1.00 0.00 N ATOM 791 CA ILE B 67 -11.286 2.427 5.958 1.00 0.00 C ATOM 792 C ILE B 67 -10.076 2.676 5.055 1.00 0.00 C ATOM 793 O ILE B 67 -9.250 3.540 5.342 1.00 0.00 O ATOM 794 CB ILE B 67 -11.278 1.053 6.632 1.00 0.00 C ATOM 795 CG1 ILE B 67 -11.100 1.186 8.146 1.00 0.00 C ATOM 796 CG2 ILE B 67 -10.219 0.142 6.008 1.00 0.00 C ATOM 797 CD1 ILE B 67 -12.305 1.884 8.781 1.00 0.00 C ATOM 0 H ILE B 67 -12.583 2.011 4.366 1.00 0.00 H new ATOM 0 HA ILE B 67 -11.235 3.154 6.768 1.00 0.00 H new ATOM 0 HB ILE B 67 -12.247 0.583 6.462 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -10.972 0.198 8.589 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -10.193 1.751 8.361 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -10.235 -0.828 6.505 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -10.432 0.009 4.947 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -9.234 0.595 6.126 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -12.153 1.966 9.857 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -12.415 2.881 8.353 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -13.207 1.304 8.585 1.00 0.00 H new ATOM 798 N GLY B 68 -10.009 1.901 3.982 1.00 0.00 N ATOM 799 CA GLY B 68 -8.914 2.026 3.035 1.00 0.00 C ATOM 800 C GLY B 68 -7.985 0.814 3.109 1.00 0.00 C ATOM 801 O GLY B 68 -7.760 0.264 4.186 1.00 0.00 O ATOM 0 H GLY B 68 -10.696 1.184 3.748 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -9.311 2.123 2.025 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -8.350 2.935 3.244 1.00 0.00 H new ATOM 802 N THR B 69 -7.470 0.432 1.949 1.00 0.00 N ATOM 803 CA THR B 69 -6.569 -0.706 1.868 1.00 0.00 C ATOM 804 C THR B 69 -5.372 -0.376 0.974 1.00 0.00 C ATOM 805 O THR B 69 -5.424 -0.577 -0.238 1.00 0.00 O ATOM 806 CB THR B 69 -7.374 -1.913 1.385 1.00 0.00 C ATOM 807 OG1 THR B 69 -8.270 -2.186 2.459 1.00 0.00 O ATOM 808 CG2 THR B 69 -6.523 -3.180 1.278 1.00 0.00 C ATOM 0 H THR B 69 -7.659 0.890 1.058 1.00 0.00 H new ATOM 0 HA THR B 69 -6.148 -0.948 2.844 1.00 0.00 H new ATOM 0 HB THR B 69 -7.815 -1.689 0.414 1.00 0.00 H new ATOM 0 HG1 THR B 69 -9.173 -2.325 2.104 1.00 0.00 H new ATOM 0 HG21 THR B 69 -7.143 -4.007 0.931 1.00 0.00 H new ATOM 0 HG22 THR B 69 -5.711 -3.014 0.571 1.00 0.00 H new ATOM 0 HG23 THR B 69 -6.108 -3.423 2.256 1.00 0.00 H new ATOM 809 N CYS B 70 -4.322 0.126 1.607 1.00 0.00 N ATOM 810 CA CYS B 70 -3.114 0.484 0.884 1.00 0.00 C ATOM 811 C CYS B 70 -2.419 -0.804 0.439 1.00 0.00 C ATOM 812 O CYS B 70 -2.992 -1.888 0.536 1.00 0.00 O ATOM 813 CB CYS B 70 -2.191 1.368 1.727 1.00 0.00 C ATOM 814 SG CYS B 70 -3.054 2.487 2.890 1.00 0.00 S ATOM 0 H CYS B 70 -4.283 0.293 2.612 1.00 0.00 H new ATOM 0 HA CYS B 70 -3.375 1.076 0.007 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -1.516 0.727 2.294 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -1.574 1.968 1.058 1.00 0.00 H new