USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 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 35 LYS NZ :NH3+ 156:sc= -1.54 (180deg=-1.75!) USER MOD Set 1.2: B 36 SER OG : rot 180:sc= 0.036 USER MOD Set 1.3: B 40 GLN : amide:sc= -0.892 K(o=-2.4,f=-4.8!) USER MOD Set 2.1: B 19 TYR OH : rot 72:sc= 1.18 USER MOD Set 2.2: B 66 GLN : amide:sc= -0.0197 K(o=1.2,f=0.43) USER MOD Single : A 1 GLN :FLIP amide:sc= -2.16! C(o=-4.7!,f=-2.2!) USER MOD Single : A 1 GLN N :NH3+ -152:sc= -1.08! (180deg=-3.27!) USER MOD Single : A 3 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.0133 (180deg=-0.17) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 10 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.13) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.805 K(o=-0.8,f=-3.1!) USER MOD Single : A 14 HIS : no HD1:sc= -5.52! C(o=-5.5!,f=-5.1!) USER MOD Single : A 19 GLN : amide:sc= -0.355 K(o=-0.35,f=-2.3!) USER MOD Single : A 20 GLN : amide:sc=-0.00664 X(o=-0.0066,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 25 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.6) USER MOD Single : B 13 GLN : amide:sc= -0.0769 K(o=-0.077,f=-2.4!) USER MOD Single : B 16 ASN :FLIP amide:sc= -0.0027 F(o=-1.3,f=-0.0027) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 GLN : amide:sc= -0.795 K(o=-0.79,f=-2.2!) USER MOD Single : B 29 THR OG1 : rot 150:sc= -2.62! USER MOD Single : B 31 LYS NZ :NH3+ 174:sc= 0.902 (180deg=0.693) USER MOD Single : B 32 GLN : amide:sc= -0.355 K(o=-0.35,f=-3!) USER MOD Single : B 42 GLN :FLIP amide:sc= -0.0712 F(o=-0.72,f=-0.071) USER MOD Single : B 43 HIS :FLIP no HD1:sc= -8.08! C(o=-8.6!,f=-8.1!) USER MOD Single : B 47 GLN : amide:sc=-0.00533 X(o=-0.0053,f=0) 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 120:sc= -2.23! USER MOD Single : B 53 GLN : amide:sc= -1.7 K(o=-1.7,f=-7.8!) USER MOD Single : B 56 LYS NZ :NH3+ 144:sc= 0.0516 (180deg=0) USER MOD Single : B 57 ASN : amide:sc= -18.6! C(o=-19!,f=-23!) USER MOD Single : B 60 ASN :FLIP amide:sc= -1.49 F(o=-2.1!,f=-1.5) USER MOD Single : B 63 ASN :FLIP amide:sc= -2.56! C(o=-5.4!,f=-2.6!) USER MOD Single : B 64 MET CE :methyl -177:sc= -3.94 (180deg=-4.1) USER MOD Single : B 65 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.382) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0.0102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.595 1.571 15.908 1.00 0.00 N ATOM 2 CA GLN A 1 6.655 1.005 14.954 1.00 0.00 C ATOM 3 C GLN A 1 7.091 -0.404 14.550 1.00 0.00 C ATOM 4 O GLN A 1 8.264 -0.752 14.669 1.00 0.00 O ATOM 5 CB GLN A 1 6.510 1.908 13.727 1.00 0.00 C ATOM 6 CG GLN A 1 5.773 3.202 14.082 1.00 0.00 C ATOM 7 CD GLN A 1 6.536 3.994 15.145 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.109 3.780 16.388 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 7.449 4.748 14.857 1.00 0.00 N flip ATOM 0 H1 GLN A 1 7.102 2.256 16.516 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.994 0.811 16.495 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.362 2.052 15.396 1.00 0.00 H new ATOM 0 HA GLN A 1 5.678 0.937 15.432 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.496 2.145 13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.967 1.379 12.944 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.651 3.812 13.187 1.00 0.00 H new ATOM 0 HG3 GLN A 1 4.773 2.967 14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.725 4.865 13.882 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.937 5.262 15.591 1.00 0.00 H new ATOM 10 N PRO A 2 6.097 -1.197 14.068 1.00 0.00 N ATOM 11 CA PRO A 2 6.367 -2.561 13.646 1.00 0.00 C ATOM 12 C PRO A 2 7.087 -2.585 12.297 1.00 0.00 C ATOM 13 O PRO A 2 6.641 -1.954 11.340 1.00 0.00 O ATOM 14 CB PRO A 2 5.005 -3.236 13.605 1.00 0.00 C ATOM 15 CG PRO A 2 3.984 -2.112 13.553 1.00 0.00 C ATOM 16 CD PRO A 2 4.695 -0.819 13.914 1.00 0.00 C ATOM 0 HA PRO A 2 7.038 -3.087 14.325 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.917 -3.884 12.733 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.853 -3.862 14.484 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.545 -2.041 12.558 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.167 -2.306 14.249 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.571 -0.068 13.134 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.297 -0.392 14.834 1.00 0.00 H new ATOM 17 N GLN A 3 8.190 -3.319 12.263 1.00 0.00 N ATOM 18 CA GLN A 3 8.976 -3.433 11.047 1.00 0.00 C ATOM 19 C GLN A 3 8.348 -4.461 10.104 1.00 0.00 C ATOM 20 O GLN A 3 8.276 -4.239 8.895 1.00 0.00 O ATOM 21 CB GLN A 3 10.428 -3.795 11.364 1.00 0.00 C ATOM 22 CG GLN A 3 11.399 -2.914 10.575 1.00 0.00 C ATOM 23 CD GLN A 3 12.343 -2.161 11.514 1.00 0.00 C ATOM 24 OE1 GLN A 3 13.109 -2.744 12.263 1.00 0.00 O ATOM 25 NE2 GLN A 3 12.245 -0.838 11.432 1.00 0.00 N ATOM 0 H GLN A 3 8.558 -3.841 13.059 1.00 0.00 H new ATOM 0 HA GLN A 3 8.979 -2.464 10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.611 -3.677 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.606 -4.843 11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.979 -3.531 9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.839 -2.202 9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.582 -0.415 10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.833 -0.246 12.018 1.00 0.00 H new ATOM 26 N LYS A 4 7.910 -5.565 10.690 1.00 0.00 N ATOM 27 CA LYS A 4 7.291 -6.628 9.918 1.00 0.00 C ATOM 28 C LYS A 4 6.285 -6.021 8.935 1.00 0.00 C ATOM 29 O LYS A 4 6.158 -6.486 7.804 1.00 0.00 O ATOM 30 CB LYS A 4 6.683 -7.682 10.845 1.00 0.00 C ATOM 31 CG LYS A 4 7.683 -8.805 11.129 1.00 0.00 C ATOM 32 CD LYS A 4 7.356 -10.051 10.304 1.00 0.00 C ATOM 33 CE LYS A 4 6.655 -11.107 11.160 1.00 0.00 C ATOM 34 NZ LYS A 4 7.606 -11.709 12.122 1.00 0.00 N ATOM 0 H LYS A 4 7.972 -5.746 11.692 1.00 0.00 H new ATOM 0 HA LYS A 4 8.041 -7.152 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.379 -7.215 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.784 -8.097 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.692 -8.465 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.666 -9.052 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.719 -9.778 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.273 -10.466 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.822 -10.654 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.236 -11.883 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.236 -12.625 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.525 -11.853 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.725 -11.073 12.936 1.00 0.00 H new ATOM 35 N CYS A 5 5.598 -4.991 9.404 1.00 0.00 N ATOM 36 CA CYS A 5 4.609 -4.314 8.582 1.00 0.00 C ATOM 37 C CYS A 5 5.249 -3.989 7.232 1.00 0.00 C ATOM 38 O CYS A 5 4.884 -4.571 6.211 1.00 0.00 O ATOM 39 CB CYS A 5 4.060 -3.063 9.271 1.00 0.00 C ATOM 40 SG CYS A 5 3.098 -1.948 8.184 1.00 0.00 S ATOM 0 H CYS A 5 5.706 -4.608 10.343 1.00 0.00 H new ATOM 0 HA CYS A 5 3.751 -4.968 8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.427 -3.372 10.103 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.894 -2.504 9.695 1.00 0.00 H new ATOM 41 N GLN A 6 6.192 -3.058 7.269 1.00 0.00 N ATOM 42 CA GLN A 6 6.885 -2.648 6.060 1.00 0.00 C ATOM 43 C GLN A 6 7.808 -3.767 5.572 1.00 0.00 C ATOM 44 O GLN A 6 7.735 -4.175 4.413 1.00 0.00 O ATOM 45 CB GLN A 6 7.668 -1.353 6.289 1.00 0.00 C ATOM 46 CG GLN A 6 7.615 -0.934 7.760 1.00 0.00 C ATOM 47 CD GLN A 6 8.396 0.361 7.989 1.00 0.00 C ATOM 48 OE1 GLN A 6 9.483 0.560 7.473 1.00 0.00 O ATOM 49 NE2 GLN A 6 7.783 1.229 8.790 1.00 0.00 N ATOM 0 H GLN A 6 6.492 -2.577 8.117 1.00 0.00 H new ATOM 0 HA GLN A 6 6.142 -2.453 5.287 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.705 -1.492 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.256 -0.559 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.578 -0.796 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.028 -1.727 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.873 1.000 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.223 2.124 9.005 1.00 0.00 H new ATOM 50 N ARG A 7 8.655 -4.229 6.479 1.00 0.00 N ATOM 51 CA ARG A 7 9.591 -5.293 6.155 1.00 0.00 C ATOM 52 C ARG A 7 8.913 -6.347 5.277 1.00 0.00 C ATOM 53 O ARG A 7 9.505 -6.830 4.313 1.00 0.00 O ATOM 54 CB ARG A 7 10.125 -5.962 7.424 1.00 0.00 C ATOM 55 CG ARG A 7 11.200 -5.099 8.088 1.00 0.00 C ATOM 56 CD ARG A 7 12.598 -5.514 7.624 1.00 0.00 C ATOM 57 NE ARG A 7 13.038 -6.720 8.360 1.00 0.00 N ATOM 58 CZ ARG A 7 13.719 -6.688 9.526 1.00 0.00 C ATOM 59 NH1 ARG A 7 14.044 -5.510 10.098 1.00 0.00 N ATOM 60 NH2 ARG A 7 14.063 -7.828 10.096 1.00 0.00 N ATOM 0 H ARG A 7 8.713 -3.887 7.438 1.00 0.00 H new ATOM 0 HA ARG A 7 10.426 -4.847 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.306 -6.130 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.539 -6.939 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.029 -4.050 7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.129 -5.193 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.590 -5.714 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.302 -4.699 7.791 1.00 0.00 H new ATOM 0 HE ARG A 7 12.813 -7.632 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.775 -4.634 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.558 -5.495 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.814 -8.714 9.656 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.578 -7.823 10.977 1.00 0.00 H new ATOM 61 N GLU A 8 7.682 -6.673 5.642 1.00 0.00 N ATOM 62 CA GLU A 8 6.918 -7.661 4.899 1.00 0.00 C ATOM 63 C GLU A 8 6.631 -7.155 3.483 1.00 0.00 C ATOM 64 O GLU A 8 7.323 -7.527 2.536 1.00 0.00 O ATOM 65 CB GLU A 8 5.620 -8.013 5.629 1.00 0.00 C ATOM 66 CG GLU A 8 4.827 -9.070 4.858 1.00 0.00 C ATOM 67 CD GLU A 8 3.458 -8.530 4.441 1.00 0.00 C ATOM 68 OE1 GLU A 8 3.325 -7.288 4.396 1.00 0.00 O ATOM 69 OE2 GLU A 8 2.574 -9.373 4.175 1.00 0.00 O ATOM 0 H GLU A 8 7.194 -6.271 6.442 1.00 0.00 H new ATOM 0 HA GLU A 8 7.513 -8.571 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.849 -8.383 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.013 -7.116 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.386 -9.376 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.699 -9.958 5.478 1.00 0.00 H new ATOM 70 N PHE A 9 5.611 -6.316 3.385 1.00 0.00 N ATOM 71 CA PHE A 9 5.225 -5.755 2.101 1.00 0.00 C ATOM 72 C PHE A 9 6.455 -5.432 1.251 1.00 0.00 C ATOM 73 O PHE A 9 6.407 -5.519 0.025 1.00 0.00 O ATOM 74 CB PHE A 9 4.463 -4.460 2.389 1.00 0.00 C ATOM 75 CG PHE A 9 5.121 -3.209 1.803 1.00 0.00 C ATOM 76 CD1 PHE A 9 6.070 -2.543 2.515 1.00 0.00 C ATOM 77 CD2 PHE A 9 4.756 -2.762 0.572 1.00 0.00 C ATOM 78 CE1 PHE A 9 6.680 -1.382 1.971 1.00 0.00 C ATOM 79 CE2 PHE A 9 5.366 -1.600 0.029 1.00 0.00 C ATOM 80 CZ PHE A 9 6.315 -0.935 0.740 1.00 0.00 C ATOM 0 H PHE A 9 5.040 -6.011 4.173 1.00 0.00 H new ATOM 0 HA PHE A 9 4.615 -6.471 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.453 -4.548 1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.369 -4.338 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.359 -2.897 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.002 -3.290 0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.434 -0.854 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.076 -1.245 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.779 -0.052 0.327 1.00 0.00 H new ATOM 81 N GLN A 10 7.528 -5.066 1.936 1.00 0.00 N ATOM 82 CA GLN A 10 8.769 -4.728 1.260 1.00 0.00 C ATOM 83 C GLN A 10 9.550 -5.999 0.919 1.00 0.00 C ATOM 84 O GLN A 10 10.131 -6.104 -0.161 1.00 0.00 O ATOM 85 CB GLN A 10 9.614 -3.776 2.108 1.00 0.00 C ATOM 86 CG GLN A 10 10.388 -2.796 1.223 1.00 0.00 C ATOM 87 CD GLN A 10 11.875 -2.783 1.591 1.00 0.00 C ATOM 88 OE1 GLN A 10 12.484 -1.743 1.779 1.00 0.00 O ATOM 89 NE2 GLN A 10 12.420 -3.993 1.681 1.00 0.00 N ATOM 0 H GLN A 10 7.564 -4.996 2.953 1.00 0.00 H new ATOM 0 HA GLN A 10 8.525 -4.214 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.970 -3.223 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.311 -4.349 2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.271 -3.075 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.973 -1.794 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.851 -4.822 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.407 -4.091 1.920 1.00 0.00 H new ATOM 90 N GLN A 11 9.539 -6.932 1.859 1.00 0.00 N ATOM 91 CA GLN A 11 10.239 -8.192 1.672 1.00 0.00 C ATOM 92 C GLN A 11 9.379 -9.161 0.858 1.00 0.00 C ATOM 93 O GLN A 11 9.896 -9.914 0.034 1.00 0.00 O ATOM 94 CB GLN A 11 10.633 -8.805 3.017 1.00 0.00 C ATOM 95 CG GLN A 11 11.732 -7.983 3.693 1.00 0.00 C ATOM 96 CD GLN A 11 13.119 -8.527 3.342 1.00 0.00 C ATOM 97 OE1 GLN A 11 13.686 -8.227 2.305 1.00 0.00 O ATOM 98 NE2 GLN A 11 13.630 -9.341 4.261 1.00 0.00 N ATOM 0 H GLN A 11 9.056 -6.841 2.753 1.00 0.00 H new ATOM 0 HA GLN A 11 11.156 -7.997 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.760 -8.856 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.979 -9.828 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.656 -6.942 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.593 -8.002 4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.101 -9.550 5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.551 -9.756 4.119 1.00 0.00 H new ATOM 99 N GLU A 12 8.081 -9.111 1.118 1.00 0.00 N ATOM 100 CA GLU A 12 7.144 -9.976 0.420 1.00 0.00 C ATOM 101 C GLU A 12 7.429 -9.964 -1.083 1.00 0.00 C ATOM 102 O GLU A 12 8.110 -10.850 -1.597 1.00 0.00 O ATOM 103 CB GLU A 12 5.699 -9.564 0.706 1.00 0.00 C ATOM 104 CG GLU A 12 5.013 -10.574 1.628 1.00 0.00 C ATOM 105 CD GLU A 12 4.315 -11.668 0.820 1.00 0.00 C ATOM 106 OE1 GLU A 12 5.007 -12.652 0.480 1.00 0.00 O ATOM 107 OE2 GLU A 12 3.104 -11.496 0.559 1.00 0.00 O ATOM 0 H GLU A 12 7.656 -8.485 1.802 1.00 0.00 H new ATOM 0 HA GLU A 12 7.277 -10.993 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.683 -8.576 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.147 -9.488 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.750 -11.023 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.285 -10.061 2.257 1.00 0.00 H new ATOM 108 N GLN A 13 6.894 -8.949 -1.746 1.00 0.00 N ATOM 109 CA GLN A 13 7.083 -8.809 -3.180 1.00 0.00 C ATOM 110 C GLN A 13 6.346 -7.571 -3.695 1.00 0.00 C ATOM 111 O GLN A 13 5.596 -7.650 -4.667 1.00 0.00 O ATOM 112 CB GLN A 13 6.622 -10.068 -3.919 1.00 0.00 C ATOM 113 CG GLN A 13 7.814 -10.952 -4.290 1.00 0.00 C ATOM 114 CD GLN A 13 7.551 -12.413 -3.917 1.00 0.00 C ATOM 115 OE1 GLN A 13 6.460 -12.793 -3.525 1.00 0.00 O ATOM 116 NE2 GLN A 13 8.609 -13.207 -4.058 1.00 0.00 N ATOM 0 H GLN A 13 6.330 -8.216 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 13 8.148 -8.681 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.929 -10.629 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.079 -9.786 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.009 -10.876 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.708 -10.597 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.494 -12.824 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.536 -14.199 -3.833 1.00 0.00 H new ATOM 117 N HIS A 14 6.585 -6.456 -3.020 1.00 0.00 N ATOM 118 CA HIS A 14 5.953 -5.203 -3.397 1.00 0.00 C ATOM 119 C HIS A 14 5.025 -5.436 -4.591 1.00 0.00 C ATOM 120 O HIS A 14 5.462 -5.388 -5.740 1.00 0.00 O ATOM 121 CB HIS A 14 7.004 -4.124 -3.664 1.00 0.00 C ATOM 122 CG HIS A 14 8.418 -4.553 -3.352 1.00 0.00 C ATOM 123 ND1 HIS A 14 9.456 -4.426 -4.258 1.00 0.00 N ATOM 124 CD2 HIS A 14 8.953 -5.105 -2.226 1.00 0.00 C ATOM 125 CE1 HIS A 14 10.563 -4.887 -3.692 1.00 0.00 C ATOM 126 NE2 HIS A 14 10.249 -5.307 -2.433 1.00 0.00 N ATOM 0 H HIS A 14 7.208 -6.394 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 14 5.342 -4.836 -2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.948 -3.828 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.763 -3.242 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.414 -5.338 -1.320 1.00 0.00 H new ATOM 0 HE1 HIS A 14 11.541 -4.923 -4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 14 10.902 -5.710 -1.761 1.00 0.00 H new ATOM 127 N LEU A 15 3.761 -5.681 -4.278 1.00 0.00 N ATOM 128 CA LEU A 15 2.767 -5.920 -5.310 1.00 0.00 C ATOM 129 C LEU A 15 3.004 -4.954 -6.473 1.00 0.00 C ATOM 130 O LEU A 15 3.603 -3.895 -6.293 1.00 0.00 O ATOM 131 CB LEU A 15 1.356 -5.844 -4.724 1.00 0.00 C ATOM 132 CG LEU A 15 1.157 -4.842 -3.584 1.00 0.00 C ATOM 133 CD1 LEU A 15 1.716 -5.390 -2.270 1.00 0.00 C ATOM 134 CD2 LEU A 15 1.756 -3.480 -3.940 1.00 0.00 C ATOM 0 H LEU A 15 3.403 -5.719 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 15 2.866 -6.930 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.663 -5.593 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.080 -6.835 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 15 0.087 -4.694 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.562 -4.659 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.202 -6.317 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.783 -5.585 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.601 -2.787 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.824 -3.590 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.270 -3.092 -4.835 1.00 0.00 H new ATOM 135 N ARG A 16 2.519 -5.354 -7.640 1.00 0.00 N ATOM 136 CA ARG A 16 2.670 -4.536 -8.832 1.00 0.00 C ATOM 137 C ARG A 16 1.307 -4.026 -9.302 1.00 0.00 C ATOM 138 O ARG A 16 1.179 -2.874 -9.716 1.00 0.00 O ATOM 139 CB ARG A 16 3.328 -5.329 -9.963 1.00 0.00 C ATOM 140 CG ARG A 16 4.406 -4.497 -10.660 1.00 0.00 C ATOM 141 CD ARG A 16 5.548 -5.386 -11.158 1.00 0.00 C ATOM 142 NE ARG A 16 6.651 -4.548 -11.680 1.00 0.00 N ATOM 143 CZ ARG A 16 6.712 -4.081 -12.934 1.00 0.00 C ATOM 144 NH1 ARG A 16 5.733 -4.367 -13.804 1.00 0.00 N ATOM 145 NH2 ARG A 16 7.751 -3.328 -13.320 1.00 0.00 N ATOM 0 H ARG A 16 2.022 -6.233 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 16 3.309 -3.691 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.770 -6.242 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.572 -5.632 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.968 -3.957 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.797 -3.750 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.911 -6.015 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.186 -6.053 -11.940 1.00 0.00 H new ATOM 0 HE ARG A 16 7.413 -4.311 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.942 -4.940 -13.511 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.779 -4.011 -14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.496 -3.110 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.797 -2.973 -14.275 1.00 0.00 H new ATOM 146 N ALA A 17 0.321 -4.907 -9.221 1.00 0.00 N ATOM 147 CA ALA A 17 -1.029 -4.560 -9.633 1.00 0.00 C ATOM 148 C ALA A 17 -1.318 -3.108 -9.248 1.00 0.00 C ATOM 149 O ALA A 17 -2.007 -2.394 -9.975 1.00 0.00 O ATOM 150 CB ALA A 17 -2.023 -5.538 -9.003 1.00 0.00 C ATOM 0 H ALA A 17 0.430 -5.861 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.132 -4.641 -10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.035 -5.278 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.793 -6.552 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.950 -5.482 -7.917 1.00 0.00 H new ATOM 151 N CYS A 18 -0.776 -2.713 -8.105 1.00 0.00 N ATOM 152 CA CYS A 18 -0.966 -1.359 -7.613 1.00 0.00 C ATOM 153 C CYS A 18 0.035 -0.446 -8.324 1.00 0.00 C ATOM 154 O CYS A 18 -0.258 0.722 -8.578 1.00 0.00 O ATOM 155 CB CYS A 18 -0.828 -1.285 -6.092 1.00 0.00 C ATOM 156 SG CYS A 18 -2.006 -2.331 -5.161 1.00 0.00 S ATOM 0 H CYS A 18 -0.205 -3.308 -7.505 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.980 -1.027 -7.835 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.187 -1.574 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.959 -0.249 -5.780 1.00 0.00 H new ATOM 157 N GLN A 19 1.194 -1.011 -8.624 1.00 0.00 N ATOM 158 CA GLN A 19 2.240 -0.262 -9.300 1.00 0.00 C ATOM 159 C GLN A 19 1.626 0.756 -10.262 1.00 0.00 C ATOM 160 O GLN A 19 2.219 1.800 -10.527 1.00 0.00 O ATOM 161 CB GLN A 19 3.199 -1.201 -10.034 1.00 0.00 C ATOM 162 CG GLN A 19 4.629 -0.657 -10.003 1.00 0.00 C ATOM 163 CD GLN A 19 5.132 -0.359 -11.417 1.00 0.00 C ATOM 164 OE1 GLN A 19 4.589 -0.820 -12.407 1.00 0.00 O ATOM 165 NE2 GLN A 19 6.198 0.436 -11.455 1.00 0.00 N ATOM 0 H GLN A 19 1.433 -1.980 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 19 2.816 0.279 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.171 -2.188 -9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.875 -1.323 -11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.664 0.251 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.287 -1.382 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.603 0.787 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.610 0.694 -12.352 1.00 0.00 H new ATOM 166 N GLN A 20 0.445 0.418 -10.758 1.00 0.00 N ATOM 167 CA GLN A 20 -0.256 1.290 -11.684 1.00 0.00 C ATOM 168 C GLN A 20 -0.166 2.743 -11.216 1.00 0.00 C ATOM 169 O GLN A 20 0.695 3.494 -11.673 1.00 0.00 O ATOM 170 CB GLN A 20 -1.714 0.856 -11.851 1.00 0.00 C ATOM 171 CG GLN A 20 -2.027 0.535 -13.313 1.00 0.00 C ATOM 172 CD GLN A 20 -3.014 -0.629 -13.420 1.00 0.00 C ATOM 173 OE1 GLN A 20 -4.152 -0.554 -12.988 1.00 0.00 O ATOM 174 NE2 GLN A 20 -2.514 -1.708 -14.017 1.00 0.00 N ATOM 0 H GLN A 20 -0.044 -0.449 -10.536 1.00 0.00 H new ATOM 0 HA GLN A 20 0.225 1.213 -12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.909 -0.020 -11.233 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.375 1.648 -11.499 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.444 1.416 -13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.106 0.285 -13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.552 -1.704 -14.356 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.093 -2.539 -14.136 1.00 0.00 H new ATOM 175 N TRP A 21 -1.066 3.096 -10.311 1.00 0.00 N ATOM 176 CA TRP A 21 -1.100 4.447 -9.775 1.00 0.00 C ATOM 177 C TRP A 21 0.098 4.615 -8.839 1.00 0.00 C ATOM 178 O TRP A 21 0.957 5.464 -9.070 1.00 0.00 O ATOM 179 CB TRP A 21 -2.439 4.732 -9.091 1.00 0.00 C ATOM 180 CG TRP A 21 -2.306 5.247 -7.657 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.219 6.518 -7.241 1.00 0.00 C ATOM 182 CD2 TRP A 21 -2.249 4.447 -6.457 1.00 0.00 C ATOM 183 NE1 TRP A 21 -2.111 6.595 -5.868 1.00 0.00 N ATOM 184 CE2 TRP A 21 -2.130 5.294 -5.376 1.00 0.00 C ATOM 185 CE3 TRP A 21 -2.298 3.051 -6.292 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -2.048 4.843 -4.053 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -2.215 2.616 -4.964 1.00 0.00 C ATOM 188 CH2 TRP A 21 -2.095 3.457 -3.865 1.00 0.00 C ATOM 0 H TRP A 21 -1.778 2.470 -9.935 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.021 5.182 -10.576 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.988 5.466 -9.681 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.034 3.819 -9.085 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.232 7.375 -7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.032 7.449 -5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -2.392 2.369 -7.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.954 5.527 -3.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.246 1.552 -4.781 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.038 3.043 -2.869 1.00 0.00 H new ATOM 189 N ILE A 22 0.117 3.790 -7.802 1.00 0.00 N ATOM 190 CA ILE A 22 1.197 3.836 -6.830 1.00 0.00 C ATOM 191 C ILE A 22 2.425 4.488 -7.468 1.00 0.00 C ATOM 192 O ILE A 22 2.993 5.427 -6.911 1.00 0.00 O ATOM 193 CB ILE A 22 1.465 2.441 -6.262 1.00 0.00 C ATOM 194 CG1 ILE A 22 2.501 2.498 -5.137 1.00 0.00 C ATOM 195 CG2 ILE A 22 1.875 1.468 -7.369 1.00 0.00 C ATOM 196 CD1 ILE A 22 2.922 3.940 -4.851 1.00 0.00 C ATOM 0 H ILE A 22 -0.597 3.087 -7.614 1.00 0.00 H new ATOM 0 HA ILE A 22 0.916 4.454 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 22 0.538 2.064 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.087 2.051 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.375 1.908 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.060 0.484 -6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.075 1.397 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.783 1.829 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.659 3.951 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.358 4.377 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.050 4.521 -4.552 1.00 0.00 H new ATOM 197 N ARG A 23 2.798 3.966 -8.626 1.00 0.00 N ATOM 198 CA ARG A 23 3.949 4.485 -9.346 1.00 0.00 C ATOM 199 C ARG A 23 3.551 5.714 -10.165 1.00 0.00 C ATOM 200 O ARG A 23 4.178 6.766 -10.056 1.00 0.00 O ATOM 201 CB ARG A 23 4.539 3.426 -10.280 1.00 0.00 C ATOM 202 CG ARG A 23 5.687 4.005 -11.109 1.00 0.00 C ATOM 203 CD ARG A 23 5.281 4.154 -12.577 1.00 0.00 C ATOM 204 NE ARG A 23 6.466 3.989 -13.448 1.00 0.00 N ATOM 205 CZ ARG A 23 6.429 4.047 -14.786 1.00 0.00 C ATOM 206 NH1 ARG A 23 5.266 4.264 -15.415 1.00 0.00 N ATOM 207 NH2 ARG A 23 7.555 3.886 -15.495 1.00 0.00 N ATOM 0 H ARG A 23 2.324 3.188 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 23 4.703 4.763 -8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.899 2.580 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.762 3.047 -10.943 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.977 4.976 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.559 3.356 -11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.526 3.410 -12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.832 5.134 -12.741 1.00 0.00 H new ATOM 0 HE ARG A 23 7.368 3.821 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.409 4.385 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.238 4.308 -16.434 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.440 3.719 -15.016 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.527 3.930 -16.514 1.00 0.00 H new ATOM 208 N GLN A 24 2.511 5.540 -10.968 1.00 0.00 N ATOM 209 CA GLN A 24 2.023 6.621 -11.806 1.00 0.00 C ATOM 210 C GLN A 24 1.831 7.891 -10.975 1.00 0.00 C ATOM 211 O GLN A 24 2.269 8.970 -11.371 1.00 0.00 O ATOM 212 CB GLN A 24 0.723 6.225 -12.511 1.00 0.00 C ATOM 213 CG GLN A 24 0.342 7.255 -13.576 1.00 0.00 C ATOM 214 CD GLN A 24 -0.595 6.643 -14.619 1.00 0.00 C ATOM 215 OE1 GLN A 24 -1.470 5.847 -14.316 1.00 0.00 O ATOM 216 NE2 GLN A 24 -0.364 7.057 -15.862 1.00 0.00 N ATOM 0 H GLN A 24 1.993 4.666 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 24 2.768 6.823 -12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.840 5.245 -12.973 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.080 6.139 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.142 8.110 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.242 7.628 -14.065 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.385 7.725 -16.046 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.936 6.707 -16.631 1.00 0.00 H new ATOM 217 N GLN A 25 1.174 7.721 -9.836 1.00 0.00 N ATOM 218 CA GLN A 25 0.918 8.840 -8.946 1.00 0.00 C ATOM 219 C GLN A 25 2.192 9.664 -8.749 1.00 0.00 C ATOM 220 O GLN A 25 2.216 10.857 -9.045 1.00 0.00 O ATOM 221 CB GLN A 25 0.364 8.358 -7.604 1.00 0.00 C ATOM 222 CG GLN A 25 -0.711 9.312 -7.080 1.00 0.00 C ATOM 223 CD GLN A 25 -0.173 10.740 -6.976 1.00 0.00 C ATOM 224 OE1 GLN A 25 0.932 10.984 -6.518 1.00 0.00 O ATOM 225 NE2 GLN A 25 -1.012 11.669 -7.426 1.00 0.00 N ATOM 0 H GLN A 25 0.812 6.825 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 25 0.163 9.478 -9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.056 7.359 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.174 8.283 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.575 9.293 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.054 8.977 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.922 11.397 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.745 12.653 -7.400 1.00 0.00 H new ATOM 226 N LEU A 26 3.220 8.994 -8.250 1.00 0.00 N ATOM 227 CA LEU A 26 4.495 9.648 -8.009 1.00 0.00 C ATOM 228 C LEU A 26 4.872 10.485 -9.234 1.00 0.00 C ATOM 229 O LEU A 26 5.230 11.654 -9.105 1.00 0.00 O ATOM 230 CB LEU A 26 5.559 8.622 -7.614 1.00 0.00 C ATOM 231 CG LEU A 26 5.391 7.979 -6.236 1.00 0.00 C ATOM 232 CD1 LEU A 26 6.651 7.211 -5.832 1.00 0.00 C ATOM 233 CD2 LEU A 26 4.994 9.022 -5.189 1.00 0.00 C ATOM 0 H LEU A 26 3.196 8.004 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 26 4.418 10.333 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.568 7.831 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.534 9.107 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 26 4.578 7.255 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.505 6.764 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.848 6.426 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.499 7.895 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.881 8.539 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.768 9.787 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.050 9.485 -5.476 1.00 0.00 H new ATOM 234 N ALA A 27 4.780 9.853 -10.395 1.00 0.00 N ATOM 235 CA ALA A 27 5.107 10.524 -11.641 1.00 0.00 C ATOM 236 C ALA A 27 4.413 11.887 -11.679 1.00 0.00 C ATOM 237 O ALA A 27 3.222 11.973 -11.972 1.00 0.00 O ATOM 238 CB ALA A 27 4.710 9.634 -12.820 1.00 0.00 C ATOM 0 H ALA A 27 4.483 8.883 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 27 6.181 10.699 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.955 10.138 -13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.253 8.691 -12.763 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.638 9.439 -12.784 1.00 0.00 H new ATOM 323 N TRP B 9 -10.489 -10.886 -11.231 1.00 0.00 N ATOM 324 CA TRP B 9 -10.095 -9.715 -10.467 1.00 0.00 C ATOM 325 C TRP B 9 -8.726 -9.997 -9.842 1.00 0.00 C ATOM 326 O TRP B 9 -8.642 -10.444 -8.699 1.00 0.00 O ATOM 327 CB TRP B 9 -11.161 -9.351 -9.432 1.00 0.00 C ATOM 328 CG TRP B 9 -12.592 -9.397 -9.969 1.00 0.00 C ATOM 329 CD1 TRP B 9 -13.636 -10.078 -9.478 1.00 0.00 C ATOM 330 CD2 TRP B 9 -13.097 -8.703 -11.129 1.00 0.00 C ATOM 331 NE1 TRP B 9 -14.774 -9.875 -10.233 1.00 0.00 N ATOM 332 CE2 TRP B 9 -14.436 -9.011 -11.270 1.00 0.00 C ATOM 333 CE3 TRP B 9 -12.446 -7.843 -12.030 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -15.236 -8.503 -12.299 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -13.260 -7.343 -13.054 1.00 0.00 C ATOM 336 CH2 TRP B 9 -14.608 -7.643 -13.209 1.00 0.00 C ATOM 0 HA TRP B 9 -10.009 -8.843 -11.115 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -11.079 -10.034 -8.586 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -10.958 -8.349 -9.054 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -13.593 -10.707 -8.601 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -15.693 -10.283 -10.062 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -11.400 -7.588 -11.940 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -16.281 -8.760 -12.387 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -12.808 -6.677 -13.774 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -15.169 -7.215 -14.027 1.00 0.00 H new ATOM 337 N LEU B 10 -7.690 -9.725 -10.621 1.00 0.00 N ATOM 338 CA LEU B 10 -6.329 -9.945 -10.158 1.00 0.00 C ATOM 339 C LEU B 10 -5.983 -8.901 -9.094 1.00 0.00 C ATOM 340 O LEU B 10 -5.361 -9.224 -8.083 1.00 0.00 O ATOM 341 CB LEU B 10 -5.359 -9.963 -11.341 1.00 0.00 C ATOM 342 CG LEU B 10 -5.669 -10.971 -12.449 1.00 0.00 C ATOM 343 CD1 LEU B 10 -6.528 -12.121 -11.918 1.00 0.00 C ATOM 344 CD2 LEU B 10 -6.316 -10.281 -13.652 1.00 0.00 C ATOM 0 H LEU B 10 -7.764 -9.355 -11.569 1.00 0.00 H new ATOM 0 HA LEU B 10 -6.239 -10.923 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.335 -8.966 -11.781 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.358 -10.168 -10.961 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.729 -11.402 -12.792 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -6.734 -12.824 -12.725 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.995 -12.634 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.468 -11.725 -11.532 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -6.526 -11.020 -14.425 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -7.246 -9.806 -13.342 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.637 -9.526 -14.047 1.00 0.00 H new ATOM 345 N ARG B 11 -6.400 -7.672 -9.358 1.00 0.00 N ATOM 346 CA ARG B 11 -6.141 -6.579 -8.436 1.00 0.00 C ATOM 347 C ARG B 11 -6.336 -7.046 -6.993 1.00 0.00 C ATOM 348 O ARG B 11 -5.521 -6.743 -6.123 1.00 0.00 O ATOM 349 CB ARG B 11 -7.069 -5.394 -8.712 1.00 0.00 C ATOM 350 CG ARG B 11 -8.524 -5.853 -8.835 1.00 0.00 C ATOM 351 CD ARG B 11 -9.267 -5.042 -9.898 1.00 0.00 C ATOM 352 NE ARG B 11 -9.163 -5.713 -11.213 1.00 0.00 N ATOM 353 CZ ARG B 11 -9.995 -5.482 -12.250 1.00 0.00 C ATOM 354 NH1 ARG B 11 -11.003 -4.591 -12.133 1.00 0.00 N ATOM 355 NH2 ARG B 11 -9.810 -6.139 -13.379 1.00 0.00 N ATOM 0 H ARG B 11 -6.916 -7.408 -10.198 1.00 0.00 H new ATOM 0 HA ARG B 11 -5.109 -6.259 -8.582 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.981 -4.664 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.763 -4.894 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.554 -6.912 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.026 -5.745 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -10.315 -4.934 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -8.848 -4.038 -9.959 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.415 -6.394 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -11.139 -4.087 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.628 -4.422 -12.921 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.046 -6.811 -13.459 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.431 -5.975 -14.172 1.00 0.00 H new ATOM 356 N GLU B 12 -7.423 -7.775 -6.782 1.00 0.00 N ATOM 357 CA GLU B 12 -7.735 -8.287 -5.459 1.00 0.00 C ATOM 358 C GLU B 12 -6.466 -8.794 -4.772 1.00 0.00 C ATOM 359 O GLU B 12 -6.244 -8.524 -3.592 1.00 0.00 O ATOM 360 CB GLU B 12 -8.795 -9.388 -5.533 1.00 0.00 C ATOM 361 CG GLU B 12 -10.193 -8.792 -5.712 1.00 0.00 C ATOM 362 CD GLU B 12 -11.205 -9.873 -6.097 1.00 0.00 C ATOM 363 OE1 GLU B 12 -10.860 -11.061 -5.920 1.00 0.00 O ATOM 364 OE2 GLU B 12 -12.301 -9.487 -6.557 1.00 0.00 O ATOM 0 H GLU B 12 -8.098 -8.023 -7.505 1.00 0.00 H new ATOM 0 HA GLU B 12 -8.146 -7.472 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.572 -10.057 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.765 -9.988 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -10.507 -8.308 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -10.168 -8.021 -6.483 1.00 0.00 H new ATOM 365 N GLN B 13 -5.666 -9.520 -5.539 1.00 0.00 N ATOM 366 CA GLN B 13 -4.424 -10.067 -5.019 1.00 0.00 C ATOM 367 C GLN B 13 -3.634 -8.984 -4.281 1.00 0.00 C ATOM 368 O GLN B 13 -3.060 -9.241 -3.224 1.00 0.00 O ATOM 369 CB GLN B 13 -3.588 -10.688 -6.138 1.00 0.00 C ATOM 370 CG GLN B 13 -4.293 -11.906 -6.739 1.00 0.00 C ATOM 371 CD GLN B 13 -3.968 -13.174 -5.948 1.00 0.00 C ATOM 372 OE1 GLN B 13 -4.154 -13.251 -4.744 1.00 0.00 O ATOM 373 NE2 GLN B 13 -3.474 -14.162 -6.688 1.00 0.00 N ATOM 0 H GLN B 13 -5.854 -9.742 -6.517 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.667 -10.858 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -3.408 -9.947 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -2.614 -10.983 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -5.371 -11.742 -6.743 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.986 -12.032 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -3.343 -14.032 -7.691 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -3.226 -15.050 -6.253 1.00 0.00 H new ATOM 374 N CYS B 14 -3.633 -7.795 -4.867 1.00 0.00 N ATOM 375 CA CYS B 14 -2.923 -6.672 -4.278 1.00 0.00 C ATOM 376 C CYS B 14 -3.387 -6.517 -2.828 1.00 0.00 C ATOM 377 O CYS B 14 -2.567 -6.379 -1.922 1.00 0.00 O ATOM 378 CB CYS B 14 -3.129 -5.388 -5.084 1.00 0.00 C ATOM 379 SG CYS B 14 -1.656 -4.308 -5.199 1.00 0.00 S ATOM 0 H CYS B 14 -4.112 -7.585 -5.743 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.851 -6.866 -4.296 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -3.445 -5.656 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -3.944 -4.820 -4.634 1.00 0.00 H new ATOM 380 N CYS B 15 -4.700 -6.545 -2.655 1.00 0.00 N ATOM 381 CA CYS B 15 -5.284 -6.409 -1.331 1.00 0.00 C ATOM 382 C CYS B 15 -4.940 -7.663 -0.525 1.00 0.00 C ATOM 383 O CYS B 15 -4.285 -7.578 0.513 1.00 0.00 O ATOM 384 CB CYS B 15 -6.792 -6.169 -1.399 1.00 0.00 C ATOM 385 SG CYS B 15 -7.606 -5.928 0.222 1.00 0.00 S ATOM 0 H CYS B 15 -5.376 -6.660 -3.410 1.00 0.00 H new ATOM 0 HA CYS B 15 -4.867 -5.533 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -6.978 -5.291 -2.017 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.258 -7.017 -1.901 1.00 0.00 H new ATOM 386 N ASN B 16 -5.398 -8.798 -1.032 1.00 0.00 N ATOM 387 CA ASN B 16 -5.149 -10.067 -0.371 1.00 0.00 C ATOM 388 C ASN B 16 -3.717 -10.085 0.167 1.00 0.00 C ATOM 389 O ASN B 16 -3.466 -10.591 1.259 1.00 0.00 O ATOM 390 CB ASN B 16 -5.300 -11.235 -1.348 1.00 0.00 C ATOM 391 CG ASN B 16 -6.737 -11.760 -1.356 1.00 0.00 C ATOM 392 OD1 ASN B 16 -7.660 -10.814 -1.205 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -6.992 -12.947 -1.490 1.00 0.00 N flip ATOM 0 H ASN B 16 -5.940 -8.865 -1.893 1.00 0.00 H new ATOM 0 HA ASN B 16 -5.874 -10.174 0.436 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -5.021 -10.913 -2.351 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -4.617 -12.038 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -6.235 -13.622 -1.602 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -7.962 -13.263 -1.490 1.00 0.00 H new ATOM 394 N GLU B 17 -2.814 -9.525 -0.625 1.00 0.00 N ATOM 395 CA GLU B 17 -1.414 -9.469 -0.241 1.00 0.00 C ATOM 396 C GLU B 17 -1.228 -8.534 0.954 1.00 0.00 C ATOM 397 O GLU B 17 -0.424 -8.811 1.844 1.00 0.00 O ATOM 398 CB GLU B 17 -0.540 -9.033 -1.419 1.00 0.00 C ATOM 399 CG GLU B 17 0.003 -7.618 -1.206 1.00 0.00 C ATOM 400 CD GLU B 17 1.188 -7.628 -0.237 1.00 0.00 C ATOM 401 OE1 GLU B 17 1.685 -8.740 0.040 1.00 0.00 O ATOM 402 OE2 GLU B 17 1.569 -6.522 0.203 1.00 0.00 O ATOM 0 H GLU B 17 -3.025 -9.106 -1.531 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.098 -10.470 0.053 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.289 -9.730 -1.539 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.121 -9.068 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.313 -7.195 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.786 -6.976 -0.815 1.00 0.00 H new ATOM 403 N LEU B 18 -1.984 -7.445 0.938 1.00 0.00 N ATOM 404 CA LEU B 18 -1.912 -6.469 2.011 1.00 0.00 C ATOM 405 C LEU B 18 -2.714 -6.975 3.211 1.00 0.00 C ATOM 406 O LEU B 18 -2.260 -6.879 4.351 1.00 0.00 O ATOM 407 CB LEU B 18 -2.357 -5.092 1.512 1.00 0.00 C ATOM 408 CG LEU B 18 -3.737 -4.624 1.975 1.00 0.00 C ATOM 409 CD1 LEU B 18 -3.722 -4.254 3.459 1.00 0.00 C ATOM 410 CD2 LEU B 18 -4.248 -3.475 1.103 1.00 0.00 C ATOM 0 H LEU B 18 -2.649 -7.218 0.199 1.00 0.00 H new ATOM 0 HA LEU B 18 -0.882 -6.346 2.345 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.620 -4.356 1.832 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.345 -5.102 0.422 1.00 0.00 H new ATOM 0 HG LEU B 18 -4.435 -5.453 1.857 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.716 -3.925 3.762 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -3.433 -5.124 4.048 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.006 -3.449 3.626 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -5.231 -3.161 1.454 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.556 -2.635 1.165 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -4.322 -3.809 0.068 1.00 0.00 H new ATOM 411 N TYR B 19 -3.893 -7.503 2.915 1.00 0.00 N ATOM 412 CA TYR B 19 -4.762 -8.026 3.955 1.00 0.00 C ATOM 413 C TYR B 19 -4.100 -9.195 4.687 1.00 0.00 C ATOM 414 O TYR B 19 -4.024 -9.201 5.914 1.00 0.00 O ATOM 415 CB TYR B 19 -6.018 -8.530 3.243 1.00 0.00 C ATOM 416 CG TYR B 19 -7.317 -7.907 3.755 1.00 0.00 C ATOM 417 CD1 TYR B 19 -7.326 -6.603 4.207 1.00 0.00 C ATOM 418 CD2 TYR B 19 -8.482 -8.648 3.763 1.00 0.00 C ATOM 419 CE1 TYR B 19 -8.549 -6.016 4.689 1.00 0.00 C ATOM 420 CE2 TYR B 19 -9.705 -8.060 4.245 1.00 0.00 C ATOM 421 CZ TYR B 19 -9.679 -6.774 4.684 1.00 0.00 C ATOM 422 OH TYR B 19 -10.834 -6.219 5.140 1.00 0.00 O ATOM 0 H TYR B 19 -4.267 -7.580 1.969 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.982 -7.255 4.694 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.925 -8.325 2.176 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -6.077 -9.613 3.356 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -6.415 -6.023 4.199 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.476 -9.668 3.408 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -8.569 -4.997 5.046 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -10.623 -8.629 4.257 1.00 0.00 H new ATOM 0 HH TYR B 19 -11.160 -5.561 4.490 1.00 0.00 H new ATOM 423 N GLN B 20 -3.639 -10.157 3.901 1.00 0.00 N ATOM 424 CA GLN B 20 -2.986 -11.330 4.459 1.00 0.00 C ATOM 425 C GLN B 20 -2.111 -10.934 5.651 1.00 0.00 C ATOM 426 O GLN B 20 -2.039 -11.660 6.640 1.00 0.00 O ATOM 427 CB GLN B 20 -2.165 -12.059 3.394 1.00 0.00 C ATOM 428 CG GLN B 20 -3.006 -13.120 2.684 1.00 0.00 C ATOM 429 CD GLN B 20 -2.182 -14.379 2.406 1.00 0.00 C ATOM 430 OE1 GLN B 20 -2.055 -15.265 3.236 1.00 0.00 O ATOM 431 NE2 GLN B 20 -1.629 -14.407 1.197 1.00 0.00 N ATOM 0 H GLN B 20 -3.704 -10.149 2.883 1.00 0.00 H new ATOM 0 HA GLN B 20 -3.755 -12.017 4.811 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -1.789 -11.341 2.665 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -1.297 -12.528 3.857 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -3.870 -13.375 3.298 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -3.389 -12.718 1.746 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -1.776 -13.632 0.551 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -1.058 -15.204 0.916 1.00 0.00 H new ATOM 432 N GLU B 21 -1.469 -9.783 5.516 1.00 0.00 N ATOM 433 CA GLU B 21 -0.602 -9.283 6.569 1.00 0.00 C ATOM 434 C GLU B 21 -1.429 -8.577 7.646 1.00 0.00 C ATOM 435 O GLU B 21 -2.535 -9.008 7.966 1.00 0.00 O ATOM 436 CB GLU B 21 0.468 -8.349 6.000 1.00 0.00 C ATOM 437 CG GLU B 21 1.754 -8.422 6.826 1.00 0.00 C ATOM 438 CD GLU B 21 2.404 -9.802 6.710 1.00 0.00 C ATOM 439 OE1 GLU B 21 1.834 -10.704 6.077 1.00 0.00 O ATOM 440 OE2 GLU B 21 3.541 -9.922 7.306 1.00 0.00 O ATOM 0 H GLU B 21 -1.532 -9.183 4.694 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.092 -10.131 7.027 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.680 -8.620 4.966 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.095 -7.325 5.991 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.453 -7.658 6.486 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.531 -8.208 7.871 1.00 0.00 H new ATOM 441 N ASP B 22 -0.859 -7.503 8.175 1.00 0.00 N ATOM 442 CA ASP B 22 -1.530 -6.733 9.209 1.00 0.00 C ATOM 443 C ASP B 22 -1.870 -5.345 8.664 1.00 0.00 C ATOM 444 O ASP B 22 -0.980 -4.594 8.268 1.00 0.00 O ATOM 445 CB ASP B 22 -0.630 -6.554 10.432 1.00 0.00 C ATOM 446 CG ASP B 22 0.526 -7.551 10.537 1.00 0.00 C ATOM 447 OD1 ASP B 22 0.329 -8.723 10.890 1.00 0.00 O ATOM 448 OD2 ASP B 22 1.686 -7.074 10.232 1.00 0.00 O ATOM 0 H ASP B 22 0.059 -7.149 7.907 1.00 0.00 H new ATOM 0 HA ASP B 22 -2.432 -7.272 9.501 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -0.219 -5.545 10.417 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -1.243 -6.635 11.330 1.00 0.00 H new ATOM 449 N GLN B 23 -3.161 -5.044 8.664 1.00 0.00 N ATOM 450 CA GLN B 23 -3.630 -3.758 8.175 1.00 0.00 C ATOM 451 C GLN B 23 -2.768 -2.629 8.742 1.00 0.00 C ATOM 452 O GLN B 23 -2.787 -1.511 8.228 1.00 0.00 O ATOM 453 CB GLN B 23 -5.106 -3.547 8.518 1.00 0.00 C ATOM 454 CG GLN B 23 -5.339 -3.651 10.026 1.00 0.00 C ATOM 455 CD GLN B 23 -5.197 -2.284 10.699 1.00 0.00 C ATOM 456 OE1 GLN B 23 -5.516 -1.251 10.135 1.00 0.00 O ATOM 457 NE2 GLN B 23 -4.703 -2.337 11.933 1.00 0.00 N ATOM 0 H GLN B 23 -3.897 -5.669 8.995 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.538 -3.748 7.089 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.429 -2.568 8.163 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.713 -4.290 8.001 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.334 -4.053 10.217 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.624 -4.350 10.461 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.456 -3.237 12.345 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.571 -1.478 12.467 1.00 0.00 H new ATOM 458 N VAL B 24 -2.033 -2.959 9.794 1.00 0.00 N ATOM 459 CA VAL B 24 -1.165 -1.986 10.435 1.00 0.00 C ATOM 460 C VAL B 24 -0.541 -1.085 9.370 1.00 0.00 C ATOM 461 O VAL B 24 -0.265 0.087 9.625 1.00 0.00 O ATOM 462 CB VAL B 24 -0.124 -2.702 11.298 1.00 0.00 C ATOM 463 CG1 VAL B 24 1.283 -2.509 10.732 1.00 0.00 C ATOM 464 CG2 VAL B 24 -0.201 -2.231 12.752 1.00 0.00 C ATOM 0 H VAL B 24 -2.021 -3.886 10.218 1.00 0.00 H new ATOM 0 HA VAL B 24 -1.739 -1.346 11.105 1.00 0.00 H new ATOM 0 HB VAL B 24 -0.348 -3.769 11.279 1.00 0.00 H new ATOM 0 HG11 VAL B 24 2.004 -3.028 11.364 1.00 0.00 H new ATOM 0 HG12 VAL B 24 1.328 -2.915 9.722 1.00 0.00 H new ATOM 0 HG13 VAL B 24 1.522 -1.446 10.706 1.00 0.00 H new ATOM 0 HG21 VAL B 24 0.549 -2.755 13.344 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.014 -1.158 12.797 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -1.193 -2.444 13.151 1.00 0.00 H new ATOM 465 N CYS B 25 -0.335 -1.665 8.196 1.00 0.00 N ATOM 466 CA CYS B 25 0.254 -0.928 7.090 1.00 0.00 C ATOM 467 C CYS B 25 -0.830 -0.041 6.474 1.00 0.00 C ATOM 468 O CYS B 25 -0.890 0.117 5.256 1.00 0.00 O ATOM 469 CB CYS B 25 0.880 -1.865 6.056 1.00 0.00 C ATOM 470 SG CYS B 25 2.266 -2.883 6.681 1.00 0.00 S ATOM 0 H CYS B 25 -0.565 -2.636 7.987 1.00 0.00 H new ATOM 0 HA CYS B 25 1.068 -0.304 7.458 1.00 0.00 H new ATOM 0 HB2 CYS B 25 0.105 -2.528 5.672 1.00 0.00 H new ATOM 0 HB3 CYS B 25 1.236 -1.269 5.215 1.00 0.00 H new ATOM 471 N VAL B 26 -1.660 0.515 7.344 1.00 0.00 N ATOM 472 CA VAL B 26 -2.739 1.382 6.901 1.00 0.00 C ATOM 473 C VAL B 26 -2.258 2.221 5.715 1.00 0.00 C ATOM 474 O VAL B 26 -2.460 1.845 4.562 1.00 0.00 O ATOM 475 CB VAL B 26 -3.241 2.232 8.070 1.00 0.00 C ATOM 476 CG1 VAL B 26 -3.799 3.568 7.576 1.00 0.00 C ATOM 477 CG2 VAL B 26 -4.283 1.473 8.893 1.00 0.00 C ATOM 0 H VAL B 26 -1.607 0.382 8.354 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.588 0.791 6.559 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.391 2.443 8.719 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.149 4.153 8.427 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -3.016 4.119 7.054 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.630 3.386 6.895 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.623 2.100 9.717 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.131 1.217 8.258 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -3.838 0.561 9.291 1.00 0.00 H new ATOM 478 N CYS B 27 -1.631 3.342 6.040 1.00 0.00 N ATOM 479 CA CYS B 27 -1.120 4.237 5.016 1.00 0.00 C ATOM 480 C CYS B 27 0.363 4.491 5.296 1.00 0.00 C ATOM 481 O CYS B 27 1.000 5.290 4.611 1.00 0.00 O ATOM 482 CB CYS B 27 -1.920 5.539 4.952 1.00 0.00 C ATOM 483 SG CYS B 27 -2.452 6.032 3.272 1.00 0.00 S ATOM 0 H CYS B 27 -1.465 3.651 6.998 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.229 3.772 4.036 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -2.803 5.437 5.582 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -1.316 6.341 5.377 1.00 0.00 H new ATOM 484 N PRO B 28 0.883 3.778 6.331 1.00 0.00 N ATOM 485 CA PRO B 28 2.278 3.918 6.710 1.00 0.00 C ATOM 486 C PRO B 28 3.192 3.203 5.713 1.00 0.00 C ATOM 487 O PRO B 28 4.409 3.373 5.750 1.00 0.00 O ATOM 488 CB PRO B 28 2.365 3.342 8.114 1.00 0.00 C ATOM 489 CG PRO B 28 1.123 2.481 8.288 1.00 0.00 C ATOM 490 CD PRO B 28 0.158 2.822 7.164 1.00 0.00 C ATOM 0 HA PRO B 28 2.614 4.955 6.698 1.00 0.00 H new ATOM 0 HB2 PRO B 28 3.272 2.750 8.238 1.00 0.00 H new ATOM 0 HB3 PRO B 28 2.398 4.135 8.861 1.00 0.00 H new ATOM 0 HG2 PRO B 28 1.385 1.423 8.259 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.661 2.668 9.257 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -0.120 1.933 6.597 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.765 3.254 7.551 1.00 0.00 H new ATOM 491 N THR B 29 2.569 2.418 4.845 1.00 0.00 N ATOM 492 CA THR B 29 3.311 1.677 3.841 1.00 0.00 C ATOM 493 C THR B 29 3.603 2.566 2.630 1.00 0.00 C ATOM 494 O THR B 29 4.734 3.012 2.440 1.00 0.00 O ATOM 495 CB THR B 29 2.510 0.421 3.492 1.00 0.00 C ATOM 496 OG1 THR B 29 1.341 0.520 4.302 1.00 0.00 O ATOM 497 CG2 THR B 29 3.192 -0.860 3.977 1.00 0.00 C ATOM 0 H THR B 29 1.559 2.280 4.817 1.00 0.00 H new ATOM 0 HA THR B 29 4.285 1.365 4.219 1.00 0.00 H new ATOM 0 HB THR B 29 2.365 0.369 2.413 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.592 0.078 3.851 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.583 -1.722 3.704 1.00 0.00 H new ATOM 0 HG22 THR B 29 4.174 -0.948 3.512 1.00 0.00 H new ATOM 0 HG23 THR B 29 3.305 -0.824 5.060 1.00 0.00 H new ATOM 498 N LEU B 30 2.564 2.797 1.841 1.00 0.00 N ATOM 499 CA LEU B 30 2.694 3.624 0.654 1.00 0.00 C ATOM 500 C LEU B 30 3.688 4.755 0.932 1.00 0.00 C ATOM 501 O LEU B 30 4.484 5.114 0.065 1.00 0.00 O ATOM 502 CB LEU B 30 1.322 4.114 0.188 1.00 0.00 C ATOM 503 CG LEU B 30 0.150 3.814 1.124 1.00 0.00 C ATOM 504 CD1 LEU B 30 -0.107 2.309 1.218 1.00 0.00 C ATOM 505 CD2 LEU B 30 0.372 4.445 2.501 1.00 0.00 C ATOM 0 H LEU B 30 1.628 2.425 2.001 1.00 0.00 H new ATOM 0 HA LEU B 30 3.096 3.040 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU B 30 1.375 5.192 0.038 1.00 0.00 H new ATOM 0 HB3 LEU B 30 1.109 3.667 -0.783 1.00 0.00 H new ATOM 0 HG LEU B 30 -0.747 4.267 0.703 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -0.945 2.124 1.890 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.342 1.918 0.228 1.00 0.00 H new ATOM 0 HD13 LEU B 30 0.783 1.811 1.603 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.476 4.217 3.147 1.00 0.00 H new ATOM 0 HD22 LEU B 30 1.284 4.043 2.943 1.00 0.00 H new ATOM 0 HD23 LEU B 30 0.466 5.526 2.395 1.00 0.00 H new ATOM 506 N LYS B 31 3.610 5.283 2.144 1.00 0.00 N ATOM 507 CA LYS B 31 4.492 6.365 2.547 1.00 0.00 C ATOM 508 C LYS B 31 5.901 6.092 2.017 1.00 0.00 C ATOM 509 O LYS B 31 6.432 6.871 1.226 1.00 0.00 O ATOM 510 CB LYS B 31 4.434 6.567 4.063 1.00 0.00 C ATOM 511 CG LYS B 31 3.196 7.372 4.462 1.00 0.00 C ATOM 512 CD LYS B 31 3.021 7.394 5.982 1.00 0.00 C ATOM 513 CE LYS B 31 1.541 7.350 6.365 1.00 0.00 C ATOM 514 NZ LYS B 31 1.213 8.453 7.295 1.00 0.00 N ATOM 0 H LYS B 31 2.949 4.982 2.861 1.00 0.00 H new ATOM 0 HA LYS B 31 4.163 7.308 2.110 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.419 5.598 4.562 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.333 7.084 4.399 1.00 0.00 H new ATOM 0 HG2 LYS B 31 3.285 8.392 4.088 1.00 0.00 H new ATOM 0 HG3 LYS B 31 2.311 6.938 3.997 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.540 6.543 6.424 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.479 8.294 6.391 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.925 7.427 5.469 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.308 6.392 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.187 8.470 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.711 8.307 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.510 9.358 6.878 1.00 0.00 H new ATOM 515 N GLN B 32 6.466 4.984 2.472 1.00 0.00 N ATOM 516 CA GLN B 32 7.803 4.600 2.054 1.00 0.00 C ATOM 517 C GLN B 32 7.748 3.857 0.717 1.00 0.00 C ATOM 518 O GLN B 32 8.616 4.041 -0.136 1.00 0.00 O ATOM 519 CB GLN B 32 8.490 3.750 3.124 1.00 0.00 C ATOM 520 CG GLN B 32 9.427 4.601 3.983 1.00 0.00 C ATOM 521 CD GLN B 32 10.833 3.999 4.024 1.00 0.00 C ATOM 522 OE1 GLN B 32 11.176 3.104 3.269 1.00 0.00 O ATOM 523 NE2 GLN B 32 11.626 4.538 4.946 1.00 0.00 N ATOM 0 H GLN B 32 6.022 4.340 3.126 1.00 0.00 H new ATOM 0 HA GLN B 32 8.395 5.506 1.921 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.738 3.279 3.757 1.00 0.00 H new ATOM 0 HB3 GLN B 32 9.055 2.948 2.649 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.473 5.614 3.583 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.030 4.676 4.995 1.00 0.00 H new ATOM 0 HE21 GLN B 32 11.276 5.285 5.546 1.00 0.00 H new ATOM 0 HE22 GLN B 32 12.584 4.205 5.053 1.00 0.00 H new ATOM 524 N ALA B 33 6.719 3.035 0.575 1.00 0.00 N ATOM 525 CA ALA B 33 6.539 2.265 -0.643 1.00 0.00 C ATOM 526 C ALA B 33 6.626 3.200 -1.850 1.00 0.00 C ATOM 527 O ALA B 33 7.548 3.095 -2.657 1.00 0.00 O ATOM 528 CB ALA B 33 5.206 1.515 -0.582 1.00 0.00 C ATOM 0 H ALA B 33 6.001 2.886 1.284 1.00 0.00 H new ATOM 0 HA ALA B 33 7.328 1.520 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 33 5.071 0.937 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.206 0.842 0.276 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.390 2.231 -0.482 1.00 0.00 H new ATOM 529 N ALA B 34 5.651 4.095 -1.938 1.00 0.00 N ATOM 530 CA ALA B 34 5.606 5.048 -3.033 1.00 0.00 C ATOM 531 C ALA B 34 6.956 5.762 -3.138 1.00 0.00 C ATOM 532 O ALA B 34 7.675 5.596 -4.123 1.00 0.00 O ATOM 533 CB ALA B 34 4.447 6.022 -2.815 1.00 0.00 C ATOM 0 H ALA B 34 4.887 4.179 -1.268 1.00 0.00 H new ATOM 0 HA ALA B 34 5.429 4.537 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA B 34 4.413 6.737 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.509 5.468 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.592 6.555 -1.876 1.00 0.00 H new ATOM 534 N LYS B 35 7.259 6.540 -2.110 1.00 0.00 N ATOM 535 CA LYS B 35 8.510 7.279 -2.074 1.00 0.00 C ATOM 536 C LYS B 35 9.614 6.437 -2.716 1.00 0.00 C ATOM 537 O LYS B 35 10.462 6.963 -3.435 1.00 0.00 O ATOM 538 CB LYS B 35 8.828 7.724 -0.645 1.00 0.00 C ATOM 539 CG LYS B 35 10.304 8.102 -0.505 1.00 0.00 C ATOM 540 CD LYS B 35 11.059 7.063 0.326 1.00 0.00 C ATOM 541 CE LYS B 35 12.562 7.122 0.046 1.00 0.00 C ATOM 542 NZ LYS B 35 13.032 5.845 -0.534 1.00 0.00 N ATOM 0 H LYS B 35 6.660 6.675 -1.295 1.00 0.00 H new ATOM 0 HA LYS B 35 8.428 8.196 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.204 8.577 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS B 35 8.587 6.922 0.052 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.758 8.183 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.389 9.081 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS B 35 10.876 7.238 1.386 1.00 0.00 H new ATOM 0 HD3 LYS B 35 10.682 6.066 0.098 1.00 0.00 H new ATOM 0 HE2 LYS B 35 12.778 7.941 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS B 35 13.102 7.329 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.901 6.011 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 13.227 5.167 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 12.298 5.458 -1.161 1.00 0.00 H new ATOM 543 N SER B 36 9.568 5.144 -2.433 1.00 0.00 N ATOM 544 CA SER B 36 10.553 4.223 -2.975 1.00 0.00 C ATOM 545 C SER B 36 10.119 3.749 -4.363 1.00 0.00 C ATOM 546 O SER B 36 10.946 3.618 -5.265 1.00 0.00 O ATOM 547 CB SER B 36 10.758 3.026 -2.045 1.00 0.00 C ATOM 548 OG SER B 36 11.889 3.198 -1.194 1.00 0.00 O ATOM 0 H SER B 36 8.864 4.712 -1.835 1.00 0.00 H new ATOM 0 HA SER B 36 11.503 4.750 -3.059 1.00 0.00 H new ATOM 0 HB2 SER B 36 9.865 2.883 -1.437 1.00 0.00 H new ATOM 0 HB3 SER B 36 10.887 2.122 -2.640 1.00 0.00 H new ATOM 0 HG SER B 36 11.985 2.413 -0.615 1.00 0.00 H new ATOM 549 N VAL B 37 8.824 3.505 -4.492 1.00 0.00 N ATOM 550 CA VAL B 37 8.270 3.048 -5.755 1.00 0.00 C ATOM 551 C VAL B 37 9.082 3.642 -6.908 1.00 0.00 C ATOM 552 O VAL B 37 9.995 3.000 -7.424 1.00 0.00 O ATOM 553 CB VAL B 37 6.782 3.395 -5.831 1.00 0.00 C ATOM 554 CG1 VAL B 37 6.357 3.675 -7.274 1.00 0.00 C ATOM 555 CG2 VAL B 37 5.928 2.287 -5.213 1.00 0.00 C ATOM 0 H VAL B 37 8.141 3.615 -3.742 1.00 0.00 H new ATOM 0 HA VAL B 37 8.341 1.963 -5.832 1.00 0.00 H new ATOM 0 HB VAL B 37 6.620 4.304 -5.252 1.00 0.00 H new ATOM 0 HG11 VAL B 37 5.295 3.919 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.932 4.514 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL B 37 6.541 2.792 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL B 37 4.875 2.559 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL B 37 6.097 1.354 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.203 2.157 -4.166 1.00 0.00 H new ATOM 556 N ARG B 38 8.720 4.861 -7.277 1.00 0.00 N ATOM 557 CA ARG B 38 9.404 5.550 -8.359 1.00 0.00 C ATOM 558 C ARG B 38 10.536 6.417 -7.805 1.00 0.00 C ATOM 559 O ARG B 38 11.710 6.140 -8.046 1.00 0.00 O ATOM 560 CB ARG B 38 8.435 6.431 -9.150 1.00 0.00 C ATOM 561 CG ARG B 38 9.188 7.323 -10.139 1.00 0.00 C ATOM 562 CD ARG B 38 8.705 7.085 -11.571 1.00 0.00 C ATOM 563 NE ARG B 38 8.648 8.368 -12.306 1.00 0.00 N ATOM 564 CZ ARG B 38 8.754 8.476 -13.648 1.00 0.00 C ATOM 565 NH1 ARG B 38 8.924 7.377 -14.413 1.00 0.00 N ATOM 566 NH2 ARG B 38 8.689 9.673 -14.200 1.00 0.00 N ATOM 0 H ARG B 38 7.962 5.390 -6.846 1.00 0.00 H new ATOM 0 HA ARG B 38 9.816 4.793 -9.026 1.00 0.00 H new ATOM 0 HB2 ARG B 38 7.725 5.804 -9.688 1.00 0.00 H new ATOM 0 HB3 ARG B 38 7.857 7.050 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG B 38 9.044 8.370 -9.872 1.00 0.00 H new ATOM 0 HG3 ARG B 38 10.257 7.122 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG B 38 9.377 6.394 -12.080 1.00 0.00 H new ATOM 0 HD3 ARG B 38 7.719 6.620 -11.558 1.00 0.00 H new ATOM 0 HE ARG B 38 8.521 9.224 -11.766 1.00 0.00 H new ATOM 0 HH11 ARG B 38 8.973 6.456 -13.978 1.00 0.00 H new ATOM 0 HH12 ARG B 38 9.003 7.468 -15.426 1.00 0.00 H new ATOM 0 HH21 ARG B 38 8.561 10.498 -13.615 1.00 0.00 H new ATOM 0 HH22 ARG B 38 8.767 9.773 -15.212 1.00 0.00 H new ATOM 567 N VAL B 39 10.143 7.450 -7.074 1.00 0.00 N ATOM 568 CA VAL B 39 11.110 8.360 -6.484 1.00 0.00 C ATOM 569 C VAL B 39 11.970 7.598 -5.473 1.00 0.00 C ATOM 570 O VAL B 39 11.771 6.403 -5.258 1.00 0.00 O ATOM 571 CB VAL B 39 10.390 9.562 -5.870 1.00 0.00 C ATOM 572 CG1 VAL B 39 9.411 10.182 -6.867 1.00 0.00 C ATOM 573 CG2 VAL B 39 9.679 9.171 -4.572 1.00 0.00 C ATOM 0 H VAL B 39 9.168 7.677 -6.877 1.00 0.00 H new ATOM 0 HA VAL B 39 11.779 8.754 -7.249 1.00 0.00 H new ATOM 0 HB VAL B 39 11.141 10.314 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.913 11.034 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL B 39 9.954 10.515 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL B 39 8.667 9.440 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.175 10.044 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL B 39 8.945 8.393 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL B 39 10.410 8.798 -3.855 1.00 0.00 H new ATOM 574 N GLN B 40 12.908 8.320 -4.879 1.00 0.00 N ATOM 575 CA GLN B 40 13.800 7.727 -3.897 1.00 0.00 C ATOM 576 C GLN B 40 14.840 8.752 -3.436 1.00 0.00 C ATOM 577 O GLN B 40 14.793 9.222 -2.301 1.00 0.00 O ATOM 578 CB GLN B 40 14.475 6.473 -4.455 1.00 0.00 C ATOM 579 CG GLN B 40 14.229 5.267 -3.546 1.00 0.00 C ATOM 580 CD GLN B 40 15.458 4.970 -2.684 1.00 0.00 C ATOM 581 OE1 GLN B 40 16.539 5.495 -2.896 1.00 0.00 O ATOM 582 NE2 GLN B 40 15.233 4.103 -1.701 1.00 0.00 N ATOM 0 H GLN B 40 13.070 9.311 -5.059 1.00 0.00 H new ATOM 0 HA GLN B 40 13.208 7.426 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN B 40 14.093 6.264 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN B 40 15.547 6.646 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN B 40 13.369 5.460 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN B 40 13.986 4.394 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN B 40 14.304 3.700 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN B 40 15.990 3.841 -1.069 1.00 0.00 H new ATOM 583 N GLY B 41 15.754 9.065 -4.343 1.00 0.00 N ATOM 584 CA GLY B 41 16.804 10.025 -4.044 1.00 0.00 C ATOM 585 C GLY B 41 16.235 11.440 -3.924 1.00 0.00 C ATOM 586 O GLY B 41 16.325 12.062 -2.866 1.00 0.00 O ATOM 0 H GLY B 41 15.790 8.672 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY B 41 17.300 9.749 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY B 41 17.560 9.999 -4.829 1.00 0.00 H new ATOM 587 N GLN B 42 15.663 11.909 -5.024 1.00 0.00 N ATOM 588 CA GLN B 42 15.079 13.239 -5.055 1.00 0.00 C ATOM 589 C GLN B 42 13.923 13.335 -4.059 1.00 0.00 C ATOM 590 O GLN B 42 13.367 14.413 -3.850 1.00 0.00 O ATOM 591 CB GLN B 42 14.619 13.602 -6.468 1.00 0.00 C ATOM 592 CG GLN B 42 15.426 14.779 -7.023 1.00 0.00 C ATOM 593 CD GLN B 42 14.720 16.107 -6.745 1.00 0.00 C ATOM 594 OE1 GLN B 42 14.448 16.317 -5.460 1.00 0.00 O flip ATOM 595 NE2 GLN B 42 14.441 16.891 -7.637 1.00 0.00 N flip ATOM 0 H GLN B 42 15.592 11.391 -5.900 1.00 0.00 H new ATOM 0 HA GLN B 42 15.844 13.958 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN B 42 14.731 12.738 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.559 13.857 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN B 42 16.418 14.789 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN B 42 15.565 14.655 -8.097 1.00 0.00 H new ATOM 0 HE21 GLN B 42 14.678 16.669 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.971 17.769 -7.416 1.00 0.00 H new ATOM 596 N HIS B 43 13.592 12.194 -3.472 1.00 0.00 N ATOM 597 CA HIS B 43 12.511 12.135 -2.505 1.00 0.00 C ATOM 598 C HIS B 43 13.091 12.028 -1.093 1.00 0.00 C ATOM 599 O HIS B 43 12.654 11.196 -0.300 1.00 0.00 O ATOM 600 CB HIS B 43 11.544 10.997 -2.836 1.00 0.00 C ATOM 601 CG HIS B 43 10.101 11.426 -2.939 1.00 0.00 C ATOM 602 ND1 HIS B 43 8.982 10.942 -2.328 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 9.685 12.470 -3.747 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 7.938 11.651 -2.739 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 8.372 12.600 -3.619 1.00 0.00 N flip ATOM 0 H HIS B 43 14.055 11.302 -3.648 1.00 0.00 H new ATOM 0 HA HIS B 43 11.927 13.054 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS B 43 11.845 10.542 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS B 43 11.629 10.227 -2.069 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.322 13.076 -4.375 1.00 0.00 H new ATOM 0 HE1 HIS B 43 6.914 11.502 -2.429 1.00 0.00 H new ATOM 0 HE2 HIS B 43 7.788 13.288 -4.095 1.00 0.00 H new ATOM 606 N GLY B 44 14.067 12.883 -0.822 1.00 0.00 N ATOM 607 CA GLY B 44 14.712 12.894 0.480 1.00 0.00 C ATOM 608 C GLY B 44 13.724 13.293 1.578 1.00 0.00 C ATOM 609 O GLY B 44 13.689 12.675 2.641 1.00 0.00 O ATOM 0 H GLY B 44 14.426 13.573 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY B 44 15.121 11.907 0.695 1.00 0.00 H new ATOM 0 HA3 GLY B 44 15.550 13.591 0.469 1.00 0.00 H new ATOM 610 N PRO B 45 12.925 14.351 1.275 1.00 0.00 N ATOM 611 CA PRO B 45 11.938 14.839 2.223 1.00 0.00 C ATOM 612 C PRO B 45 10.731 13.901 2.291 1.00 0.00 C ATOM 613 O PRO B 45 10.153 13.552 1.262 1.00 0.00 O ATOM 614 CB PRO B 45 11.581 16.234 1.736 1.00 0.00 C ATOM 615 CG PRO B 45 12.026 16.295 0.284 1.00 0.00 C ATOM 616 CD PRO B 45 12.938 15.107 0.026 1.00 0.00 C ATOM 0 HA PRO B 45 12.317 14.873 3.244 1.00 0.00 H new ATOM 0 HB2 PRO B 45 10.510 16.416 1.824 1.00 0.00 H new ATOM 0 HB3 PRO B 45 12.084 16.996 2.331 1.00 0.00 H new ATOM 0 HG2 PRO B 45 11.163 16.265 -0.381 1.00 0.00 H new ATOM 0 HG3 PRO B 45 12.551 17.229 0.084 1.00 0.00 H new ATOM 0 HD2 PRO B 45 12.576 14.503 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO B 45 13.947 15.431 -0.230 1.00 0.00 H new ATOM 617 N PHE B 46 10.385 13.521 3.512 1.00 0.00 N ATOM 618 CA PHE B 46 9.257 12.631 3.728 1.00 0.00 C ATOM 619 C PHE B 46 8.020 13.412 4.174 1.00 0.00 C ATOM 620 O PHE B 46 7.099 12.842 4.758 1.00 0.00 O ATOM 621 CB PHE B 46 9.660 11.658 4.837 1.00 0.00 C ATOM 622 CG PHE B 46 10.424 10.429 4.340 1.00 0.00 C ATOM 623 CD1 PHE B 46 11.453 10.577 3.463 1.00 0.00 C ATOM 624 CD2 PHE B 46 10.073 9.189 4.775 1.00 0.00 C ATOM 625 CE1 PHE B 46 12.162 9.436 3.002 1.00 0.00 C ATOM 626 CE2 PHE B 46 10.783 8.048 4.314 1.00 0.00 C ATOM 627 CZ PHE B 46 11.812 8.195 3.437 1.00 0.00 C ATOM 0 H PHE B 46 10.866 13.813 4.362 1.00 0.00 H new ATOM 0 HA PHE B 46 9.011 12.112 2.802 1.00 0.00 H new ATOM 0 HB2 PHE B 46 10.277 12.187 5.564 1.00 0.00 H new ATOM 0 HB3 PHE B 46 8.763 11.328 5.360 1.00 0.00 H new ATOM 0 HD1 PHE B 46 11.731 11.562 3.117 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.255 9.072 5.470 1.00 0.00 H new ATOM 0 HE1 PHE B 46 12.979 9.553 2.306 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.505 7.063 4.660 1.00 0.00 H new ATOM 0 HZ PHE B 46 12.351 7.327 3.086 1.00 0.00 H new ATOM 628 N GLN B 47 8.038 14.704 3.884 1.00 0.00 N ATOM 629 CA GLN B 47 6.929 15.570 4.249 1.00 0.00 C ATOM 630 C GLN B 47 5.603 14.943 3.816 1.00 0.00 C ATOM 631 O GLN B 47 4.537 15.369 4.258 1.00 0.00 O ATOM 632 CB GLN B 47 7.100 16.964 3.644 1.00 0.00 C ATOM 633 CG GLN B 47 6.932 16.927 2.124 1.00 0.00 C ATOM 634 CD GLN B 47 7.212 18.299 1.507 1.00 0.00 C ATOM 635 OE1 GLN B 47 8.336 18.771 1.463 1.00 0.00 O ATOM 636 NE2 GLN B 47 6.130 18.912 1.035 1.00 0.00 N ATOM 0 H GLN B 47 8.804 15.173 3.400 1.00 0.00 H new ATOM 0 HA GLN B 47 6.920 15.680 5.333 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.368 17.645 4.078 1.00 0.00 H new ATOM 0 HB3 GLN B 47 8.086 17.355 3.895 1.00 0.00 H new ATOM 0 HG2 GLN B 47 7.610 16.188 1.698 1.00 0.00 H new ATOM 0 HG3 GLN B 47 5.919 16.612 1.874 1.00 0.00 H new ATOM 0 HE21 GLN B 47 5.218 18.461 1.103 1.00 0.00 H new ATOM 0 HE22 GLN B 47 6.213 19.833 0.605 1.00 0.00 H new ATOM 637 N SER B 48 5.711 13.940 2.957 1.00 0.00 N ATOM 638 CA SER B 48 4.533 13.250 2.460 1.00 0.00 C ATOM 639 C SER B 48 3.978 12.317 3.538 1.00 0.00 C ATOM 640 O SER B 48 2.765 12.151 3.655 1.00 0.00 O ATOM 641 CB SER B 48 4.853 12.460 1.188 1.00 0.00 C ATOM 642 OG SER B 48 4.748 13.268 0.019 1.00 0.00 O ATOM 0 H SER B 48 6.596 13.589 2.593 1.00 0.00 H new ATOM 0 HA SER B 48 3.779 13.997 2.212 1.00 0.00 H new ATOM 0 HB2 SER B 48 5.862 12.053 1.258 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.172 11.613 1.106 1.00 0.00 H new ATOM 0 HG SER B 48 4.961 12.729 -0.771 1.00 0.00 H new ATOM 643 N THR B 49 4.893 11.733 4.298 1.00 0.00 N ATOM 644 CA THR B 49 4.509 10.823 5.363 1.00 0.00 C ATOM 645 C THR B 49 3.188 11.265 5.994 1.00 0.00 C ATOM 646 O THR B 49 2.352 10.431 6.340 1.00 0.00 O ATOM 647 CB THR B 49 5.666 10.750 6.362 1.00 0.00 C ATOM 648 OG1 THR B 49 6.081 9.387 6.316 1.00 0.00 O ATOM 649 CG2 THR B 49 5.205 10.952 7.807 1.00 0.00 C ATOM 0 H THR B 49 5.898 11.872 4.197 1.00 0.00 H new ATOM 0 HA THR B 49 4.328 9.819 4.979 1.00 0.00 H new ATOM 0 HB THR B 49 6.411 11.505 6.110 1.00 0.00 H new ATOM 0 HG1 THR B 49 6.830 9.252 6.934 1.00 0.00 H new ATOM 0 HG21 THR B 49 6.064 10.891 8.475 1.00 0.00 H new ATOM 0 HG22 THR B 49 4.737 11.932 7.906 1.00 0.00 H new ATOM 0 HG23 THR B 49 4.485 10.178 8.071 1.00 0.00 H new ATOM 650 N ARG B 50 3.040 12.575 6.124 1.00 0.00 N ATOM 651 CA ARG B 50 1.834 13.138 6.707 1.00 0.00 C ATOM 652 C ARG B 50 0.711 13.177 5.669 1.00 0.00 C ATOM 653 O ARG B 50 -0.341 12.572 5.866 1.00 0.00 O ATOM 654 CB ARG B 50 2.085 14.554 7.232 1.00 0.00 C ATOM 655 CG ARG B 50 1.460 14.745 8.615 1.00 0.00 C ATOM 656 CD ARG B 50 2.000 16.006 9.291 1.00 0.00 C ATOM 657 NE ARG B 50 1.731 15.955 10.746 1.00 0.00 N ATOM 658 CZ ARG B 50 2.147 16.882 11.619 1.00 0.00 C ATOM 659 NH1 ARG B 50 2.854 17.937 11.191 1.00 0.00 N ATOM 660 NH2 ARG B 50 1.858 16.754 12.921 1.00 0.00 N ATOM 0 H ARG B 50 3.735 13.263 5.835 1.00 0.00 H new ATOM 0 HA ARG B 50 1.540 12.501 7.541 1.00 0.00 H new ATOM 0 HB2 ARG B 50 3.157 14.741 7.285 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.668 15.283 6.537 1.00 0.00 H new ATOM 0 HG2 ARG B 50 0.376 14.814 8.522 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.672 13.875 9.237 1.00 0.00 H new ATOM 0 HD2 ARG B 50 3.072 16.093 9.114 1.00 0.00 H new ATOM 0 HD3 ARG B 50 1.532 16.890 8.857 1.00 0.00 H new ATOM 0 HE ARG B 50 1.196 15.165 11.106 1.00 0.00 H new ATOM 0 HH11 ARG B 50 3.076 18.034 10.200 1.00 0.00 H new ATOM 0 HH12 ARG B 50 3.171 18.643 11.856 1.00 0.00 H new ATOM 0 HH21 ARG B 50 1.321 15.951 13.248 1.00 0.00 H new ATOM 0 HH22 ARG B 50 2.175 17.460 13.586 1.00 0.00 H new ATOM 661 N ILE B 51 0.974 13.895 4.587 1.00 0.00 N ATOM 662 CA ILE B 51 -0.002 14.020 3.518 1.00 0.00 C ATOM 663 C ILE B 51 -0.324 12.633 2.961 1.00 0.00 C ATOM 664 O ILE B 51 -1.484 12.319 2.695 1.00 0.00 O ATOM 665 CB ILE B 51 0.488 15.010 2.459 1.00 0.00 C ATOM 666 CG1 ILE B 51 0.331 14.430 1.052 1.00 0.00 C ATOM 667 CG2 ILE B 51 1.928 15.446 2.741 1.00 0.00 C ATOM 668 CD1 ILE B 51 0.171 15.544 0.015 1.00 0.00 C ATOM 0 H ILE B 51 1.848 14.396 4.428 1.00 0.00 H new ATOM 0 HA ILE B 51 -0.935 14.433 3.901 1.00 0.00 H new ATOM 0 HB ILE B 51 -0.136 15.902 2.511 1.00 0.00 H new ATOM 0 HG12 ILE B 51 1.201 13.822 0.806 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -0.537 13.772 1.021 1.00 0.00 H new ATOM 0 HG21 ILE B 51 2.252 16.149 1.974 1.00 0.00 H new ATOM 0 HG22 ILE B 51 1.978 15.926 3.718 1.00 0.00 H new ATOM 0 HG23 ILE B 51 2.581 14.573 2.732 1.00 0.00 H new ATOM 0 HD11 ILE B 51 0.061 15.105 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -0.714 16.135 0.250 1.00 0.00 H new ATOM 0 HD13 ILE B 51 1.052 16.186 0.032 1.00 0.00 H new ATOM 669 N TYR B 52 0.724 11.837 2.798 1.00 0.00 N ATOM 670 CA TYR B 52 0.568 10.491 2.277 1.00 0.00 C ATOM 671 C TYR B 52 -0.779 9.895 2.692 1.00 0.00 C ATOM 672 O TYR B 52 -1.431 9.214 1.902 1.00 0.00 O ATOM 673 CB TYR B 52 1.692 9.663 2.902 1.00 0.00 C ATOM 674 CG TYR B 52 2.768 9.223 1.907 1.00 0.00 C ATOM 675 CD1 TYR B 52 2.414 8.517 0.775 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.093 9.531 2.142 1.00 0.00 C ATOM 677 CE1 TYR B 52 3.426 8.103 -0.161 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.105 9.116 1.205 1.00 0.00 C ATOM 679 CZ TYR B 52 4.722 8.423 0.100 1.00 0.00 C ATOM 680 OH TYR B 52 5.678 8.031 -0.784 1.00 0.00 O ATOM 0 H TYR B 52 1.685 12.100 3.018 1.00 0.00 H new ATOM 0 HA TYR B 52 0.608 10.495 1.188 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.161 10.246 3.695 1.00 0.00 H new ATOM 0 HB3 TYR B 52 1.261 8.778 3.370 1.00 0.00 H new ATOM 0 HD1 TYR B 52 1.378 8.275 0.592 1.00 0.00 H new ATOM 0 HD2 TYR B 52 4.371 10.083 3.028 1.00 0.00 H new ATOM 0 HE1 TYR B 52 3.162 7.551 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.145 9.350 1.376 1.00 0.00 H new ATOM 0 HH TYR B 52 6.143 8.819 -1.133 1.00 0.00 H new ATOM 681 N GLN B 53 -1.155 10.171 3.933 1.00 0.00 N ATOM 682 CA GLN B 53 -2.412 9.671 4.463 1.00 0.00 C ATOM 683 C GLN B 53 -3.497 9.713 3.385 1.00 0.00 C ATOM 684 O GLN B 53 -4.349 8.829 3.323 1.00 0.00 O ATOM 685 CB GLN B 53 -2.839 10.462 5.701 1.00 0.00 C ATOM 686 CG GLN B 53 -4.099 9.863 6.327 1.00 0.00 C ATOM 687 CD GLN B 53 -5.348 10.628 5.885 1.00 0.00 C ATOM 688 OE1 GLN B 53 -5.581 10.860 4.710 1.00 0.00 O ATOM 689 NE2 GLN B 53 -6.136 11.004 6.887 1.00 0.00 N ATOM 0 H GLN B 53 -0.611 10.734 4.586 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.268 8.634 4.767 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -2.031 10.464 6.432 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.023 11.501 5.427 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.189 8.815 6.040 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.017 9.890 7.414 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.882 10.777 7.848 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.995 11.519 6.695 1.00 0.00 H new ATOM 690 N ILE B 54 -3.429 10.750 2.562 1.00 0.00 N ATOM 691 CA ILE B 54 -4.395 10.919 1.490 1.00 0.00 C ATOM 692 C ILE B 54 -4.274 9.748 0.512 1.00 0.00 C ATOM 693 O ILE B 54 -5.239 9.018 0.290 1.00 0.00 O ATOM 694 CB ILE B 54 -4.229 12.289 0.831 1.00 0.00 C ATOM 695 CG1 ILE B 54 -2.889 12.389 0.101 1.00 0.00 C ATOM 696 CG2 ILE B 54 -4.411 13.415 1.852 1.00 0.00 C ATOM 697 CD1 ILE B 54 -2.639 13.815 -0.393 1.00 0.00 C ATOM 0 H ILE B 54 -2.720 11.481 2.616 1.00 0.00 H new ATOM 0 HA ILE B 54 -5.411 10.902 1.886 1.00 0.00 H new ATOM 0 HB ILE B 54 -5.012 12.404 0.082 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -2.083 12.085 0.769 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -2.879 11.701 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -4.288 14.378 1.357 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -5.409 13.355 2.286 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -3.666 13.315 2.641 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -1.680 13.859 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -3.434 14.107 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -2.625 14.497 0.457 1.00 0.00 H new ATOM 698 N ALA B 55 -3.081 9.605 -0.046 1.00 0.00 N ATOM 699 CA ALA B 55 -2.823 8.535 -0.996 1.00 0.00 C ATOM 700 C ALA B 55 -4.153 7.933 -1.453 1.00 0.00 C ATOM 701 O ALA B 55 -5.195 8.581 -1.365 1.00 0.00 O ATOM 702 CB ALA B 55 -1.902 7.495 -0.354 1.00 0.00 C ATOM 0 H ALA B 55 -2.283 10.212 0.141 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.315 8.920 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -1.708 6.692 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.960 7.967 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -2.381 7.084 0.535 1.00 0.00 H new ATOM 703 N LYS B 56 -4.073 6.702 -1.934 1.00 0.00 N ATOM 704 CA LYS B 56 -5.257 6.005 -2.407 1.00 0.00 C ATOM 705 C LYS B 56 -4.835 4.749 -3.171 1.00 0.00 C ATOM 706 O LYS B 56 -4.205 4.841 -4.224 1.00 0.00 O ATOM 707 CB LYS B 56 -6.146 6.949 -3.220 1.00 0.00 C ATOM 708 CG LYS B 56 -5.304 7.974 -3.982 1.00 0.00 C ATOM 709 CD LYS B 56 -5.574 7.896 -5.485 1.00 0.00 C ATOM 710 CE LYS B 56 -6.429 9.076 -5.952 1.00 0.00 C ATOM 711 NZ LYS B 56 -6.627 9.025 -7.417 1.00 0.00 N ATOM 0 H LYS B 56 -3.207 6.169 -2.007 1.00 0.00 H new ATOM 0 HA LYS B 56 -5.866 5.676 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -6.748 6.373 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -6.839 7.464 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -5.530 8.977 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -4.246 7.796 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -4.629 7.890 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -6.081 6.960 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -7.395 9.055 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -5.946 10.014 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -7.583 9.361 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -5.923 9.632 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -6.514 8.046 -7.749 1.00 0.00 H new ATOM 712 N ASN B 57 -5.197 3.603 -2.611 1.00 0.00 N ATOM 713 CA ASN B 57 -4.862 2.331 -3.226 1.00 0.00 C ATOM 714 C ASN B 57 -4.916 2.475 -4.748 1.00 0.00 C ATOM 715 O ASN B 57 -4.182 1.797 -5.467 1.00 0.00 O ATOM 716 CB ASN B 57 -5.858 1.243 -2.819 1.00 0.00 C ATOM 717 CG ASN B 57 -5.133 0.008 -2.282 1.00 0.00 C ATOM 718 OD1 ASN B 57 -5.545 -0.615 -1.318 1.00 0.00 O ATOM 719 ND2 ASN B 57 -4.032 -0.309 -2.957 1.00 0.00 N ATOM 0 H ASN B 57 -5.719 3.530 -1.738 1.00 0.00 H new ATOM 0 HA ASN B 57 -3.863 2.049 -2.893 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -6.535 1.631 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -6.469 0.965 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -3.476 -1.117 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -3.743 0.256 -3.756 1.00 0.00 H new ATOM 720 N LEU B 58 -5.792 3.363 -5.196 1.00 0.00 N ATOM 721 CA LEU B 58 -5.951 3.605 -6.620 1.00 0.00 C ATOM 722 C LEU B 58 -6.641 4.955 -6.829 1.00 0.00 C ATOM 723 O LEU B 58 -6.122 5.818 -7.534 1.00 0.00 O ATOM 724 CB LEU B 58 -6.677 2.434 -7.284 1.00 0.00 C ATOM 725 CG LEU B 58 -5.794 1.275 -7.752 1.00 0.00 C ATOM 726 CD1 LEU B 58 -6.440 0.529 -8.919 1.00 0.00 C ATOM 727 CD2 LEU B 58 -4.385 1.764 -8.094 1.00 0.00 C ATOM 0 H LEU B 58 -6.399 3.924 -4.598 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.978 3.665 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -7.413 2.043 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -7.228 2.815 -8.144 1.00 0.00 H new ATOM 0 HG LEU B 58 -5.699 0.565 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -5.791 -0.289 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -7.404 0.128 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -6.586 1.215 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -3.777 0.921 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -4.441 2.505 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.932 2.214 -7.211 1.00 0.00 H new ATOM 728 N PRO B 59 -7.832 5.098 -6.187 1.00 0.00 N ATOM 729 CA PRO B 59 -8.375 4.024 -5.371 1.00 0.00 C ATOM 730 C PRO B 59 -8.942 2.905 -6.245 1.00 0.00 C ATOM 731 O PRO B 59 -9.167 3.097 -7.440 1.00 0.00 O ATOM 732 CB PRO B 59 -9.429 4.689 -4.500 1.00 0.00 C ATOM 733 CG PRO B 59 -9.762 6.006 -5.180 1.00 0.00 C ATOM 734 CD PRO B 59 -8.688 6.279 -6.220 1.00 0.00 C ATOM 0 HA PRO B 59 -7.618 3.537 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.315 4.061 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.053 4.855 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.744 5.955 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.800 6.814 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -9.122 6.426 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -8.126 7.182 -5.982 1.00 0.00 H new ATOM 735 N ASN B 60 -9.157 1.758 -5.617 1.00 0.00 N ATOM 736 CA ASN B 60 -9.692 0.607 -6.323 1.00 0.00 C ATOM 737 C ASN B 60 -9.363 -0.665 -5.539 1.00 0.00 C ATOM 738 O ASN B 60 -10.264 -1.357 -5.064 1.00 0.00 O ATOM 739 CB ASN B 60 -9.073 0.477 -7.716 1.00 0.00 C ATOM 740 CG ASN B 60 -10.072 0.887 -8.800 1.00 0.00 C ATOM 741 OD1 ASN B 60 -9.657 1.893 -9.564 1.00 0.00 O flip ATOM 742 ND2 ASN B 60 -11.147 0.326 -8.934 1.00 0.00 N flip ATOM 0 H ASN B 60 -8.970 1.602 -4.627 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.769 0.742 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -8.182 1.102 -7.782 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -8.753 -0.552 -7.881 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -11.403 -0.441 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -11.790 0.624 -9.668 1.00 0.00 H new ATOM 743 N VAL B 61 -8.071 -0.936 -5.428 1.00 0.00 N ATOM 744 CA VAL B 61 -7.612 -2.113 -4.709 1.00 0.00 C ATOM 745 C VAL B 61 -8.812 -3.002 -4.376 1.00 0.00 C ATOM 746 O VAL B 61 -9.565 -3.394 -5.267 1.00 0.00 O ATOM 747 CB VAL B 61 -6.817 -1.693 -3.471 1.00 0.00 C ATOM 748 CG1 VAL B 61 -7.730 -1.048 -2.426 1.00 0.00 C ATOM 749 CG2 VAL B 61 -6.058 -2.881 -2.878 1.00 0.00 C ATOM 0 H VAL B 61 -7.327 -0.361 -5.824 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.935 -2.700 -5.330 1.00 0.00 H new ATOM 0 HB VAL B 61 -6.084 -0.948 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -7.140 -0.759 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -8.204 -0.164 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -8.497 -1.761 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -5.501 -2.555 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -6.766 -3.659 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -5.365 -3.277 -3.620 1.00 0.00 H new ATOM 750 N CYS B 62 -8.953 -3.294 -3.091 1.00 0.00 N ATOM 751 CA CYS B 62 -10.049 -4.129 -2.629 1.00 0.00 C ATOM 752 C CYS B 62 -11.353 -3.349 -2.803 1.00 0.00 C ATOM 753 O CYS B 62 -11.985 -3.415 -3.856 1.00 0.00 O ATOM 754 CB CYS B 62 -9.843 -4.584 -1.183 1.00 0.00 C ATOM 755 SG CYS B 62 -9.458 -6.362 -0.985 1.00 0.00 S ATOM 0 H CYS B 62 -8.326 -2.967 -2.355 1.00 0.00 H new ATOM 0 HA CYS B 62 -10.091 -5.041 -3.224 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -9.033 -4.000 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.744 -4.356 -0.613 1.00 0.00 H new ATOM 756 N ASN B 63 -11.719 -2.629 -1.752 1.00 0.00 N ATOM 757 CA ASN B 63 -12.937 -1.837 -1.774 1.00 0.00 C ATOM 758 C ASN B 63 -13.549 -1.813 -0.373 1.00 0.00 C ATOM 759 O ASN B 63 -14.703 -2.198 -0.189 1.00 0.00 O ATOM 760 CB ASN B 63 -13.968 -2.440 -2.730 1.00 0.00 C ATOM 761 CG ASN B 63 -13.983 -1.691 -4.065 1.00 0.00 C ATOM 762 OD1 ASN B 63 -12.795 -1.217 -4.432 1.00 0.00 O flip ATOM 763 ND2 ASN B 63 -15.004 -1.553 -4.717 1.00 0.00 N flip ATOM 0 H ASN B 63 -11.193 -2.578 -0.880 1.00 0.00 H new ATOM 0 HA ASN B 63 -12.680 -0.832 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -13.738 -3.492 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -14.958 -2.400 -2.275 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -15.883 -1.943 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -14.979 -1.048 -5.603 1.00 0.00 H new ATOM 764 N MET B 64 -12.750 -1.354 0.579 1.00 0.00 N ATOM 765 CA MET B 64 -13.199 -1.275 1.959 1.00 0.00 C ATOM 766 C MET B 64 -12.691 0.004 2.628 1.00 0.00 C ATOM 767 O MET B 64 -11.503 0.126 2.919 1.00 0.00 O ATOM 768 CB MET B 64 -12.691 -2.493 2.733 1.00 0.00 C ATOM 769 CG MET B 64 -11.201 -2.358 3.050 1.00 0.00 C ATOM 770 SD MET B 64 -10.516 -3.954 3.460 1.00 0.00 S ATOM 771 CE MET B 64 -10.279 -4.620 1.822 1.00 0.00 C ATOM 0 H MET B 64 -11.795 -1.033 0.422 1.00 0.00 H new ATOM 0 HA MET B 64 -14.289 -1.259 1.966 1.00 0.00 H new ATOM 0 HB2 MET B 64 -13.255 -2.601 3.659 1.00 0.00 H new ATOM 0 HB3 MET B 64 -12.862 -3.397 2.148 1.00 0.00 H new ATOM 0 HG2 MET B 64 -10.675 -1.937 2.193 1.00 0.00 H new ATOM 0 HG3 MET B 64 -11.059 -1.668 3.882 1.00 0.00 H new ATOM 0 HE1 MET B 64 -9.904 -5.641 1.895 1.00 0.00 H new ATOM 0 HE2 MET B 64 -11.229 -4.619 1.288 1.00 0.00 H new ATOM 0 HE3 MET B 64 -9.558 -4.007 1.281 1.00 0.00 H new ATOM 772 N LYS B 65 -13.617 0.925 2.851 1.00 0.00 N ATOM 773 CA LYS B 65 -13.278 2.191 3.480 1.00 0.00 C ATOM 774 C LYS B 65 -12.997 1.957 4.965 1.00 0.00 C ATOM 775 O LYS B 65 -12.683 2.896 5.696 1.00 0.00 O ATOM 776 CB LYS B 65 -14.370 3.230 3.215 1.00 0.00 C ATOM 777 CG LYS B 65 -14.972 3.050 1.821 1.00 0.00 C ATOM 778 CD LYS B 65 -15.542 4.368 1.295 1.00 0.00 C ATOM 779 CE LYS B 65 -16.948 4.616 1.844 1.00 0.00 C ATOM 780 NZ LYS B 65 -16.881 5.308 3.150 1.00 0.00 N ATOM 0 H LYS B 65 -14.602 0.820 2.607 1.00 0.00 H new ATOM 0 HA LYS B 65 -12.368 2.603 3.044 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -15.153 3.139 3.968 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -13.953 4.233 3.308 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -14.208 2.681 1.136 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -15.760 2.297 1.856 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -14.886 5.191 1.580 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -15.572 4.346 0.206 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -17.520 5.217 1.137 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -17.474 3.668 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -17.347 4.726 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -15.886 5.458 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -17.363 6.227 3.081 1.00 0.00 H new ATOM 781 N GLN B 66 -13.122 0.702 5.369 1.00 0.00 N ATOM 782 CA GLN B 66 -12.885 0.334 6.754 1.00 0.00 C ATOM 783 C GLN B 66 -11.383 0.283 7.040 1.00 0.00 C ATOM 784 O GLN B 66 -10.957 0.477 8.178 1.00 0.00 O ATOM 785 CB GLN B 66 -13.552 -1.002 7.088 1.00 0.00 C ATOM 786 CG GLN B 66 -12.611 -2.173 6.798 1.00 0.00 C ATOM 787 CD GLN B 66 -13.306 -3.512 7.056 1.00 0.00 C ATOM 788 OE1 GLN B 66 -14.279 -3.605 7.786 1.00 0.00 O ATOM 789 NE2 GLN B 66 -12.754 -4.539 6.418 1.00 0.00 N ATOM 0 H GLN B 66 -13.385 -0.074 4.761 1.00 0.00 H new ATOM 0 HA GLN B 66 -13.331 1.096 7.393 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -13.841 -1.015 8.139 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -14.466 -1.112 6.504 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -12.276 -2.127 5.762 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -11.722 -2.094 7.424 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -11.940 -4.391 5.822 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -13.145 -5.475 6.525 1.00 0.00 H new ATOM 790 N ILE B 67 -10.620 0.021 5.989 1.00 0.00 N ATOM 791 CA ILE B 67 -9.175 -0.058 6.114 1.00 0.00 C ATOM 792 C ILE B 67 -8.553 1.250 5.621 1.00 0.00 C ATOM 793 O ILE B 67 -7.895 1.955 6.385 1.00 0.00 O ATOM 794 CB ILE B 67 -8.642 -1.301 5.397 1.00 0.00 C ATOM 795 CG1 ILE B 67 -7.867 -2.200 6.362 1.00 0.00 C ATOM 796 CG2 ILE B 67 -7.804 -0.913 4.178 1.00 0.00 C ATOM 797 CD1 ILE B 67 -8.803 -3.183 7.068 1.00 0.00 C ATOM 0 H ILE B 67 -10.976 -0.139 5.047 1.00 0.00 H new ATOM 0 HA ILE B 67 -8.889 -0.174 7.159 1.00 0.00 H new ATOM 0 HB ILE B 67 -9.493 -1.877 5.033 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -7.101 -2.750 5.816 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -7.353 -1.587 7.102 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -7.437 -1.814 3.687 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -8.418 -0.344 3.480 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -6.958 -0.304 4.497 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -8.226 -3.810 7.748 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -9.553 -2.629 7.633 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -9.297 -3.811 6.327 1.00 0.00 H new ATOM 798 N GLY B 68 -8.784 1.535 4.348 1.00 0.00 N ATOM 799 CA GLY B 68 -8.254 2.745 3.745 1.00 0.00 C ATOM 800 C GLY B 68 -7.606 2.446 2.391 1.00 0.00 C ATOM 801 O GLY B 68 -7.226 1.308 2.119 1.00 0.00 O ATOM 0 H GLY B 68 -9.331 0.949 3.718 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -9.056 3.472 3.616 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -7.519 3.196 4.412 1.00 0.00 H new ATOM 802 N THR B 69 -7.502 3.486 1.578 1.00 0.00 N ATOM 803 CA THR B 69 -6.906 3.349 0.259 1.00 0.00 C ATOM 804 C THR B 69 -5.525 4.005 0.226 1.00 0.00 C ATOM 805 O THR B 69 -5.400 5.208 0.447 1.00 0.00 O ATOM 806 CB THR B 69 -7.883 3.935 -0.764 1.00 0.00 C ATOM 807 OG1 THR B 69 -9.043 4.244 0.002 1.00 0.00 O ATOM 808 CG2 THR B 69 -8.369 2.894 -1.774 1.00 0.00 C ATOM 0 H THR B 69 -7.820 4.428 1.806 1.00 0.00 H new ATOM 0 HA THR B 69 -6.738 2.302 0.008 1.00 0.00 H new ATOM 0 HB THR B 69 -7.403 4.757 -1.294 1.00 0.00 H new ATOM 0 HG1 THR B 69 -9.728 4.631 -0.583 1.00 0.00 H new ATOM 0 HG21 THR B 69 -9.059 3.362 -2.476 1.00 0.00 H new ATOM 0 HG22 THR B 69 -7.516 2.490 -2.319 1.00 0.00 H new ATOM 0 HG23 THR B 69 -8.879 2.087 -1.248 1.00 0.00 H new ATOM 809 N CYS B 70 -4.522 3.185 -0.053 1.00 0.00 N ATOM 810 CA CYS B 70 -3.154 3.670 -0.118 1.00 0.00 C ATOM 811 C CYS B 70 -2.316 2.642 -0.878 1.00 0.00 C ATOM 812 O CYS B 70 -2.632 1.452 -0.876 1.00 0.00 O ATOM 813 CB CYS B 70 -2.587 3.952 1.274 1.00 0.00 C ATOM 814 SG CYS B 70 -3.831 4.440 2.525 1.00 0.00 S ATOM 0 H CYS B 70 -4.630 2.187 -0.237 1.00 0.00 H new ATOM 0 HA CYS B 70 -3.128 4.622 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -2.068 3.061 1.627 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -1.843 4.744 1.194 1.00 0.00 H new