USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 ASN :FLIP amide:sc= -8.78! C(o=-23!,f=-17!) USER MOD Set 1.2: B 69 THR OG1 : rot -86:sc= -8.38! USER MOD Set 2.1: B 19 TYR OH : rot 64:sc=0.000857 USER MOD Set 2.2: B 64 MET CE :methyl -123:sc= -0.265 (180deg=-1.41!) USER MOD Set 3.1: A 24 GLN : amide:sc= -2.6! C(o=-8.3!,f=-16!) USER MOD Set 3.2: B 60 ASN : amide:sc= -5.66! C(o=-8.3!,f=-11!) USER MOD Single : A 1 GLN : amide:sc= -2.15! C(o=-2.2!,f=-10!) USER MOD Single : A 1 GLN N :NH3+ -151:sc= 0.508 (180deg=-1.07!) USER MOD Single : A 3 GLN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.81) USER MOD Single : A 10 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 11 GLN : amide:sc= -3.32 K(o=-3.3,f=-11!) USER MOD Single : A 13 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.56) USER MOD Single : A 14 HIS : no HE2:sc= -5.83! X(o=-5.8!,f=-6.2) USER MOD Single : A 19 GLN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 20 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.6) USER MOD Single : A 25 GLN : amide:sc= -3 K(o=-3,f=-5.1!) USER MOD Single : B 13 GLN : amide:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : B 16 ASN :FLIP amide:sc= -0.0846 F(o=-0.84,f=-0.085) USER MOD Single : B 20 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.063) USER MOD Single : B 23 GLN : amide:sc=-0.00614 X(o=-0.0061,f=-0.036) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.185 USER MOD Single : B 31 LYS NZ :NH3+ -110:sc= 0.0544 (180deg=-0.594) USER MOD Single : B 32 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.7!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -4.68! C(o=-4.7!,f=-6.8!) USER MOD Single : B 42 GLN : amide:sc= -1.92 X(o=-1.9,f=-2) USER MOD Single : B 43 HIS :FLIP no HE2:sc= -16.3! C(o=-18!,f=-16!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 SER OG : rot 120:sc= -0.864 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 179:sc= -0.452 USER MOD Single : B 53 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.053) USER MOD Single : B 56 LYS NZ :NH3+ -126:sc= -1 (180deg=-4.47!) USER MOD Single : B 63 ASN : amide:sc= -5.13! C(o=-5.1!,f=-4.6!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.284 2.302 14.846 1.00 0.00 N ATOM 2 CA GLN A 1 5.001 1.459 13.697 1.00 0.00 C ATOM 3 C GLN A 1 5.620 0.074 13.888 1.00 0.00 C ATOM 4 O GLN A 1 6.515 -0.101 14.715 1.00 0.00 O ATOM 5 CB GLN A 1 5.498 2.109 12.404 1.00 0.00 C ATOM 6 CG GLN A 1 4.436 3.040 11.814 1.00 0.00 C ATOM 7 CD GLN A 1 3.905 4.007 12.873 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.379 3.615 13.901 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.073 5.291 12.566 1.00 0.00 N ATOM 0 H1 GLN A 1 4.519 2.997 14.963 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.351 1.713 15.701 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.185 2.800 14.698 1.00 0.00 H new ATOM 0 HA GLN A 1 3.920 1.343 13.614 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.410 2.672 12.603 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.752 1.336 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.862 3.603 10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.613 2.450 11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.522 5.551 11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.753 6.015 13.209 1.00 0.00 H new ATOM 10 N PRO A 2 5.107 -0.901 13.091 1.00 0.00 N ATOM 11 CA PRO A 2 5.601 -2.265 13.164 1.00 0.00 C ATOM 12 C PRO A 2 6.970 -2.390 12.494 1.00 0.00 C ATOM 13 O PRO A 2 7.150 -1.958 11.357 1.00 0.00 O ATOM 14 CB PRO A 2 4.530 -3.108 12.490 1.00 0.00 C ATOM 15 CG PRO A 2 3.704 -2.142 11.656 1.00 0.00 C ATOM 16 CD PRO A 2 4.047 -0.730 12.102 1.00 0.00 C ATOM 0 HA PRO A 2 5.765 -2.598 14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.977 -3.881 11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.910 -3.615 13.229 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.921 -2.271 10.596 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.640 -2.336 11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.383 -0.120 11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.180 -0.229 12.533 1.00 0.00 H new ATOM 17 N GLN A 3 7.900 -2.983 13.228 1.00 0.00 N ATOM 18 CA GLN A 3 9.249 -3.169 12.719 1.00 0.00 C ATOM 19 C GLN A 3 9.288 -4.343 11.739 1.00 0.00 C ATOM 20 O GLN A 3 9.907 -4.253 10.680 1.00 0.00 O ATOM 21 CB GLN A 3 10.243 -3.376 13.862 1.00 0.00 C ATOM 22 CG GLN A 3 11.500 -2.528 13.657 1.00 0.00 C ATOM 23 CD GLN A 3 12.493 -2.732 14.804 1.00 0.00 C ATOM 24 OE1 GLN A 3 12.906 -3.837 15.112 1.00 0.00 O ATOM 25 NE2 GLN A 3 12.848 -1.606 15.417 1.00 0.00 N ATOM 0 H GLN A 3 7.747 -3.341 14.171 1.00 0.00 H new ATOM 0 HA GLN A 3 9.543 -2.265 12.186 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.773 -3.112 14.809 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.517 -4.429 13.924 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.972 -2.794 12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.226 -1.475 13.592 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.463 -0.714 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.505 -1.635 16.197 1.00 0.00 H new ATOM 26 N LYS A 4 8.618 -5.419 12.127 1.00 0.00 N ATOM 27 CA LYS A 4 8.569 -6.610 11.295 1.00 0.00 C ATOM 28 C LYS A 4 8.009 -6.243 9.920 1.00 0.00 C ATOM 29 O LYS A 4 8.482 -6.740 8.900 1.00 0.00 O ATOM 30 CB LYS A 4 7.791 -7.723 11.999 1.00 0.00 C ATOM 31 CG LYS A 4 8.738 -8.669 12.740 1.00 0.00 C ATOM 32 CD LYS A 4 7.958 -9.762 13.473 1.00 0.00 C ATOM 33 CE LYS A 4 8.734 -11.081 13.477 1.00 0.00 C ATOM 34 NZ LYS A 4 7.814 -12.225 13.290 1.00 0.00 N ATOM 0 H LYS A 4 8.105 -5.491 13.006 1.00 0.00 H new ATOM 0 HA LYS A 4 9.572 -7.006 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.082 -7.287 12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.209 -8.284 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.431 -9.124 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.337 -8.104 13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.762 -9.448 14.498 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.990 -9.907 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.480 -11.073 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.272 -11.190 14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.357 -13.112 13.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.118 -12.241 14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.319 -12.128 12.380 1.00 0.00 H new ATOM 35 N CYS A 5 7.006 -5.376 9.936 1.00 0.00 N ATOM 36 CA CYS A 5 6.376 -4.938 8.703 1.00 0.00 C ATOM 37 C CYS A 5 7.454 -4.334 7.800 1.00 0.00 C ATOM 38 O CYS A 5 7.767 -4.887 6.747 1.00 0.00 O ATOM 39 CB CYS A 5 5.237 -3.951 8.970 1.00 0.00 C ATOM 40 SG CYS A 5 3.585 -4.716 9.147 1.00 0.00 S ATOM 0 H CYS A 5 6.615 -4.966 10.784 1.00 0.00 H new ATOM 0 HA CYS A 5 5.920 -5.792 8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.463 -3.394 9.879 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.202 -3.229 8.154 1.00 0.00 H new ATOM 41 N GLN A 6 7.992 -3.209 8.247 1.00 0.00 N ATOM 42 CA GLN A 6 9.029 -2.525 7.492 1.00 0.00 C ATOM 43 C GLN A 6 9.978 -3.541 6.852 1.00 0.00 C ATOM 44 O GLN A 6 10.407 -3.362 5.713 1.00 0.00 O ATOM 45 CB GLN A 6 9.795 -1.543 8.381 1.00 0.00 C ATOM 46 CG GLN A 6 9.077 -1.334 9.715 1.00 0.00 C ATOM 47 CD GLN A 6 9.799 -0.290 10.569 1.00 0.00 C ATOM 48 OE1 GLN A 6 10.990 -0.370 10.819 1.00 0.00 O ATOM 49 NE2 GLN A 6 9.013 0.692 11.002 1.00 0.00 N ATOM 0 H GLN A 6 7.730 -2.754 9.121 1.00 0.00 H new ATOM 0 HA GLN A 6 8.554 -1.951 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.802 -1.920 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.900 -0.588 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.051 -1.014 9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.025 -2.279 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.023 0.699 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.400 1.438 11.580 1.00 0.00 H new ATOM 50 N ARG A 7 10.276 -4.584 7.611 1.00 0.00 N ATOM 51 CA ARG A 7 11.165 -5.629 7.133 1.00 0.00 C ATOM 52 C ARG A 7 10.440 -6.523 6.126 1.00 0.00 C ATOM 53 O ARG A 7 10.811 -6.573 4.954 1.00 0.00 O ATOM 54 CB ARG A 7 11.680 -6.488 8.289 1.00 0.00 C ATOM 55 CG ARG A 7 13.099 -6.077 8.688 1.00 0.00 C ATOM 56 CD ARG A 7 13.617 -6.942 9.839 1.00 0.00 C ATOM 57 NE ARG A 7 15.020 -7.340 9.581 1.00 0.00 N ATOM 58 CZ ARG A 7 15.596 -8.451 10.088 1.00 0.00 C ATOM 59 NH1 ARG A 7 14.894 -9.285 10.885 1.00 0.00 N ATOM 60 NH2 ARG A 7 16.856 -8.709 9.793 1.00 0.00 N ATOM 0 H ARG A 7 9.917 -4.728 8.555 1.00 0.00 H new ATOM 0 HA ARG A 7 12.014 -5.145 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.014 -6.388 9.146 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.670 -7.539 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.764 -6.172 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.108 -5.028 8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.553 -6.390 10.777 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.993 -7.829 9.948 1.00 0.00 H new ATOM 0 HE ARG A 7 15.586 -6.738 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.921 -9.078 11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.337 -10.122 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.379 -8.074 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.307 -9.544 10.167 1.00 0.00 H new ATOM 61 N GLU A 8 9.418 -7.208 6.618 1.00 0.00 N ATOM 62 CA GLU A 8 8.637 -8.098 5.777 1.00 0.00 C ATOM 63 C GLU A 8 8.437 -7.479 4.392 1.00 0.00 C ATOM 64 O GLU A 8 8.488 -8.178 3.382 1.00 0.00 O ATOM 65 CB GLU A 8 7.294 -8.430 6.428 1.00 0.00 C ATOM 66 CG GLU A 8 7.315 -9.832 7.045 1.00 0.00 C ATOM 67 CD GLU A 8 7.502 -9.760 8.562 1.00 0.00 C ATOM 68 OE1 GLU A 8 6.469 -9.643 9.255 1.00 0.00 O ATOM 69 OE2 GLU A 8 8.674 -9.824 8.994 1.00 0.00 O ATOM 0 H GLU A 8 9.113 -7.164 7.590 1.00 0.00 H new ATOM 0 HA GLU A 8 9.187 -9.032 5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.067 -7.693 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.500 -8.368 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.384 -10.349 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.122 -10.416 6.603 1.00 0.00 H new ATOM 70 N PHE A 9 8.211 -6.173 4.391 1.00 0.00 N ATOM 71 CA PHE A 9 8.002 -5.451 3.147 1.00 0.00 C ATOM 72 C PHE A 9 9.040 -5.854 2.097 1.00 0.00 C ATOM 73 O PHE A 9 8.704 -6.491 1.101 1.00 0.00 O ATOM 74 CB PHE A 9 8.163 -3.962 3.461 1.00 0.00 C ATOM 75 CG PHE A 9 7.764 -3.036 2.310 1.00 0.00 C ATOM 76 CD1 PHE A 9 6.517 -3.117 1.774 1.00 0.00 C ATOM 77 CD2 PHE A 9 8.657 -2.135 1.822 1.00 0.00 C ATOM 78 CE1 PHE A 9 6.146 -2.257 0.706 1.00 0.00 C ATOM 79 CE2 PHE A 9 8.287 -1.275 0.754 1.00 0.00 C ATOM 80 CZ PHE A 9 7.039 -1.354 0.218 1.00 0.00 C ATOM 0 H PHE A 9 8.168 -5.597 5.231 1.00 0.00 H new ATOM 0 HA PHE A 9 7.014 -5.678 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.560 -3.718 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.202 -3.768 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.809 -3.835 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.648 -2.073 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.155 -2.320 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.996 -0.558 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.757 -0.700 -0.594 1.00 0.00 H new ATOM 81 N GLN A 10 10.279 -5.466 2.359 1.00 0.00 N ATOM 82 CA GLN A 10 11.369 -5.779 1.449 1.00 0.00 C ATOM 83 C GLN A 10 11.824 -7.226 1.646 1.00 0.00 C ATOM 84 O GLN A 10 12.118 -7.925 0.677 1.00 0.00 O ATOM 85 CB GLN A 10 12.535 -4.806 1.635 1.00 0.00 C ATOM 86 CG GLN A 10 13.144 -4.417 0.287 1.00 0.00 C ATOM 87 CD GLN A 10 14.656 -4.212 0.407 1.00 0.00 C ATOM 88 OE1 GLN A 10 15.435 -4.656 -0.419 1.00 0.00 O ATOM 89 NE2 GLN A 10 15.024 -3.517 1.480 1.00 0.00 N ATOM 0 H GLN A 10 10.553 -4.938 3.188 1.00 0.00 H new ATOM 0 HA GLN A 10 11.007 -5.668 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.188 -3.912 2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.298 -5.263 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.936 -5.195 -0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.677 -3.502 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.319 -3.174 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.012 -3.327 1.651 1.00 0.00 H new ATOM 90 N GLN A 11 11.870 -7.633 2.906 1.00 0.00 N ATOM 91 CA GLN A 11 12.286 -8.983 3.242 1.00 0.00 C ATOM 92 C GLN A 11 11.490 -10.002 2.425 1.00 0.00 C ATOM 93 O GLN A 11 12.026 -11.032 2.017 1.00 0.00 O ATOM 94 CB GLN A 11 12.136 -9.246 4.742 1.00 0.00 C ATOM 95 CG GLN A 11 13.392 -8.817 5.502 1.00 0.00 C ATOM 96 CD GLN A 11 13.859 -7.430 5.053 1.00 0.00 C ATOM 97 OE1 GLN A 11 13.364 -6.407 5.498 1.00 0.00 O ATOM 98 NE2 GLN A 11 14.834 -7.453 4.148 1.00 0.00 N ATOM 0 H GLN A 11 11.626 -7.051 3.707 1.00 0.00 H new ATOM 0 HA GLN A 11 13.341 -9.090 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.272 -8.704 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.948 -10.306 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.188 -8.807 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.187 -9.544 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.203 -8.345 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.213 -6.579 3.784 1.00 0.00 H new ATOM 99 N GLU A 12 10.223 -9.680 2.209 1.00 0.00 N ATOM 100 CA GLU A 12 9.347 -10.555 1.448 1.00 0.00 C ATOM 101 C GLU A 12 9.683 -10.476 -0.043 1.00 0.00 C ATOM 102 O GLU A 12 10.515 -11.234 -0.537 1.00 0.00 O ATOM 103 CB GLU A 12 7.877 -10.212 1.698 1.00 0.00 C ATOM 104 CG GLU A 12 7.476 -10.537 3.139 1.00 0.00 C ATOM 105 CD GLU A 12 6.751 -11.881 3.216 1.00 0.00 C ATOM 106 OE1 GLU A 12 7.155 -12.789 2.458 1.00 0.00 O ATOM 107 OE2 GLU A 12 5.809 -11.972 4.032 1.00 0.00 O ATOM 0 H GLU A 12 9.782 -8.825 2.548 1.00 0.00 H new ATOM 0 HA GLU A 12 9.509 -11.580 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.708 -9.154 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.247 -10.771 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.364 -10.562 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.831 -9.749 3.527 1.00 0.00 H new ATOM 108 N GLN A 13 9.017 -9.549 -0.718 1.00 0.00 N ATOM 109 CA GLN A 13 9.235 -9.361 -2.142 1.00 0.00 C ATOM 110 C GLN A 13 8.241 -8.340 -2.699 1.00 0.00 C ATOM 111 O GLN A 13 7.309 -8.705 -3.417 1.00 0.00 O ATOM 112 CB GLN A 13 9.137 -10.690 -2.893 1.00 0.00 C ATOM 113 CG GLN A 13 10.527 -11.267 -3.171 1.00 0.00 C ATOM 114 CD GLN A 13 10.778 -11.388 -4.675 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.899 -11.726 -5.452 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.023 -11.097 -5.040 1.00 0.00 N ATOM 0 H GLN A 13 8.327 -8.921 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 13 10.244 -8.975 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.555 -11.401 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.606 -10.542 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.287 -10.627 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.618 -12.247 -2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.709 -10.821 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.292 -11.150 -6.022 1.00 0.00 H new ATOM 117 N HIS A 14 8.471 -7.084 -2.350 1.00 0.00 N ATOM 118 CA HIS A 14 7.608 -6.008 -2.808 1.00 0.00 C ATOM 119 C HIS A 14 6.606 -6.554 -3.827 1.00 0.00 C ATOM 120 O HIS A 14 6.997 -7.086 -4.864 1.00 0.00 O ATOM 121 CB HIS A 14 8.434 -4.843 -3.353 1.00 0.00 C ATOM 122 CG HIS A 14 9.202 -4.086 -2.296 1.00 0.00 C ATOM 123 ND1 HIS A 14 9.673 -2.799 -2.488 1.00 0.00 N ATOM 124 CD2 HIS A 14 9.576 -4.450 -1.036 1.00 0.00 C ATOM 125 CE1 HIS A 14 10.300 -2.415 -1.386 1.00 0.00 C ATOM 126 NE2 HIS A 14 10.240 -3.439 -0.488 1.00 0.00 N ATOM 0 H HIS A 14 9.244 -6.786 -1.754 1.00 0.00 H new ATOM 0 HA HIS A 14 7.039 -5.610 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.136 -5.225 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.770 -4.151 -3.870 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.557 -2.241 -3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.368 -5.399 -0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.775 -1.458 -1.227 1.00 0.00 H new ATOM 127 N LEU A 15 5.331 -6.403 -3.495 1.00 0.00 N ATOM 128 CA LEU A 15 4.270 -6.874 -4.369 1.00 0.00 C ATOM 129 C LEU A 15 4.582 -6.464 -5.811 1.00 0.00 C ATOM 130 O LEU A 15 5.545 -5.742 -6.059 1.00 0.00 O ATOM 131 CB LEU A 15 2.910 -6.383 -3.872 1.00 0.00 C ATOM 132 CG LEU A 15 2.870 -5.858 -2.435 1.00 0.00 C ATOM 133 CD1 LEU A 15 3.537 -6.842 -1.473 1.00 0.00 C ATOM 134 CD2 LEU A 15 3.486 -4.460 -2.346 1.00 0.00 C ATOM 0 H LEU A 15 5.010 -5.961 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 15 4.217 -7.963 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.567 -5.590 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.196 -7.202 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 15 1.827 -5.770 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.495 -6.445 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.015 -7.798 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.578 -6.986 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.445 -4.109 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.524 -4.498 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.928 -3.775 -2.984 1.00 0.00 H new ATOM 135 N ARG A 16 3.749 -6.944 -6.722 1.00 0.00 N ATOM 136 CA ARG A 16 3.924 -6.637 -8.131 1.00 0.00 C ATOM 137 C ARG A 16 2.699 -5.894 -8.668 1.00 0.00 C ATOM 138 O ARG A 16 2.765 -4.696 -8.941 1.00 0.00 O ATOM 139 CB ARG A 16 4.140 -7.911 -8.951 1.00 0.00 C ATOM 140 CG ARG A 16 5.585 -8.401 -8.832 1.00 0.00 C ATOM 141 CD ARG A 16 5.984 -9.231 -10.054 1.00 0.00 C ATOM 142 NE ARG A 16 5.419 -10.593 -9.947 1.00 0.00 N ATOM 143 CZ ARG A 16 6.010 -11.603 -9.294 1.00 0.00 C ATOM 144 NH1 ARG A 16 7.189 -11.409 -8.687 1.00 0.00 N ATOM 145 NH2 ARG A 16 5.424 -12.808 -9.250 1.00 0.00 N ATOM 0 H ARG A 16 2.951 -7.543 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 16 4.807 -6.005 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.459 -8.689 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.902 -7.719 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.255 -7.547 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.696 -9.000 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.625 -8.750 -10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.070 -9.284 -10.129 1.00 0.00 H new ATOM 0 HE ARG A 16 4.523 -10.775 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.636 -10.493 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.639 -12.177 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.528 -12.956 -9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.874 -13.576 -8.753 1.00 0.00 H new ATOM 146 N ALA A 17 1.610 -6.637 -8.806 1.00 0.00 N ATOM 147 CA ALA A 17 0.372 -6.064 -9.306 1.00 0.00 C ATOM 148 C ALA A 17 0.246 -4.622 -8.812 1.00 0.00 C ATOM 149 O ALA A 17 -0.281 -3.763 -9.518 1.00 0.00 O ATOM 150 CB ALA A 17 -0.807 -6.936 -8.869 1.00 0.00 C ATOM 0 H ALA A 17 1.560 -7.630 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 17 0.373 -6.039 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.736 -6.506 -9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.684 -7.942 -9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.842 -6.982 -7.781 1.00 0.00 H new ATOM 151 N CYS A 18 0.739 -4.400 -7.602 1.00 0.00 N ATOM 152 CA CYS A 18 0.687 -3.077 -7.004 1.00 0.00 C ATOM 153 C CYS A 18 1.044 -2.049 -8.081 1.00 0.00 C ATOM 154 O CYS A 18 0.637 -0.892 -7.997 1.00 0.00 O ATOM 155 CB CYS A 18 1.609 -2.970 -5.787 1.00 0.00 C ATOM 156 SG CYS A 18 0.970 -3.769 -4.269 1.00 0.00 S ATOM 0 H CYS A 18 1.176 -5.114 -7.020 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.320 -2.881 -6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.572 -3.415 -6.038 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.790 -1.916 -5.577 1.00 0.00 H new ATOM 157 N GLN A 19 1.798 -2.511 -9.068 1.00 0.00 N ATOM 158 CA GLN A 19 2.213 -1.647 -10.159 1.00 0.00 C ATOM 159 C GLN A 19 1.104 -0.648 -10.498 1.00 0.00 C ATOM 160 O GLN A 19 1.350 0.554 -10.579 1.00 0.00 O ATOM 161 CB GLN A 19 2.605 -2.468 -11.390 1.00 0.00 C ATOM 162 CG GLN A 19 4.003 -3.069 -11.225 1.00 0.00 C ATOM 163 CD GLN A 19 4.977 -2.483 -12.249 1.00 0.00 C ATOM 164 OE1 GLN A 19 4.835 -1.362 -12.708 1.00 0.00 O ATOM 165 NE2 GLN A 19 5.970 -3.303 -12.581 1.00 0.00 N ATOM 0 H GLN A 19 2.132 -3.472 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 19 3.093 -1.089 -9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.878 -3.265 -11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.580 -1.835 -12.277 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.369 -2.875 -10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.953 -4.151 -11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.029 -4.229 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.672 -3.006 -13.258 1.00 0.00 H new ATOM 166 N GLN A 20 -0.093 -1.183 -10.685 1.00 0.00 N ATOM 167 CA GLN A 20 -1.241 -0.355 -11.012 1.00 0.00 C ATOM 168 C GLN A 20 -1.459 0.702 -9.927 1.00 0.00 C ATOM 169 O GLN A 20 -1.790 1.848 -10.229 1.00 0.00 O ATOM 170 CB GLN A 20 -2.495 -1.208 -11.207 1.00 0.00 C ATOM 171 CG GLN A 20 -2.958 -1.180 -12.665 1.00 0.00 C ATOM 172 CD GLN A 20 -4.255 -1.969 -12.844 1.00 0.00 C ATOM 173 OE1 GLN A 20 -4.549 -2.905 -12.118 1.00 0.00 O ATOM 174 NE2 GLN A 20 -5.014 -1.542 -13.850 1.00 0.00 N ATOM 0 H GLN A 20 -0.293 -2.181 -10.616 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.040 0.155 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.290 -2.236 -10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.293 -0.840 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.109 -0.148 -12.982 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.182 -1.600 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.709 -0.753 -14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.901 -2.004 -14.052 1.00 0.00 H new ATOM 175 N TRP A 21 -1.263 0.280 -8.687 1.00 0.00 N ATOM 176 CA TRP A 21 -1.434 1.176 -7.556 1.00 0.00 C ATOM 177 C TRP A 21 -0.828 2.530 -7.929 1.00 0.00 C ATOM 178 O TRP A 21 -1.549 3.515 -8.082 1.00 0.00 O ATOM 179 CB TRP A 21 -0.824 0.579 -6.286 1.00 0.00 C ATOM 180 CG TRP A 21 -1.387 1.164 -4.990 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.051 0.527 -4.016 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.309 2.541 -4.563 1.00 0.00 C ATOM 183 NE1 TRP A 21 -2.404 1.388 -2.997 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.939 2.651 -3.340 1.00 0.00 C ATOM 185 CE3 TRP A 21 -0.725 3.656 -5.190 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -2.045 3.859 -2.639 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -0.839 4.855 -4.476 1.00 0.00 C ATOM 188 CH2 TRP A 21 -1.470 4.983 -3.245 1.00 0.00 C ATOM 0 H TRP A 21 -0.987 -0.671 -8.440 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.492 1.317 -7.333 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.989 -0.498 -6.288 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.254 0.736 -6.305 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.281 -0.528 -4.027 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.913 1.142 -2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.228 3.593 -6.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -2.543 3.920 -1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.406 5.743 -4.913 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.517 5.945 -2.757 1.00 0.00 H new ATOM 189 N ILE A 22 0.489 2.535 -8.066 1.00 0.00 N ATOM 190 CA ILE A 22 1.200 3.753 -8.420 1.00 0.00 C ATOM 191 C ILE A 22 1.040 4.015 -9.919 1.00 0.00 C ATOM 192 O ILE A 22 0.626 5.100 -10.322 1.00 0.00 O ATOM 193 CB ILE A 22 2.658 3.675 -7.960 1.00 0.00 C ATOM 194 CG1 ILE A 22 3.584 3.337 -9.130 1.00 0.00 C ATOM 195 CG2 ILE A 22 2.815 2.689 -6.802 1.00 0.00 C ATOM 196 CD1 ILE A 22 3.711 4.523 -10.089 1.00 0.00 C ATOM 0 H ILE A 22 1.083 1.716 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 22 0.771 4.610 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 22 2.953 4.657 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.569 3.064 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.197 2.471 -9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.860 2.653 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.201 3.013 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.496 1.697 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.375 4.256 -10.912 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.728 4.778 -10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.121 5.380 -9.555 1.00 0.00 H new ATOM 197 N ARG A 23 1.379 3.002 -10.702 1.00 0.00 N ATOM 198 CA ARG A 23 1.279 3.109 -12.148 1.00 0.00 C ATOM 199 C ARG A 23 -0.001 3.853 -12.539 1.00 0.00 C ATOM 200 O ARG A 23 0.059 4.935 -13.120 1.00 0.00 O ATOM 201 CB ARG A 23 1.277 1.727 -12.805 1.00 0.00 C ATOM 202 CG ARG A 23 1.202 1.842 -14.328 1.00 0.00 C ATOM 203 CD ARG A 23 1.507 0.500 -14.995 1.00 0.00 C ATOM 204 NE ARG A 23 0.403 0.126 -15.908 1.00 0.00 N ATOM 205 CZ ARG A 23 0.426 -0.941 -16.717 1.00 0.00 C ATOM 206 NH1 ARG A 23 1.497 -1.746 -16.734 1.00 0.00 N ATOM 207 NH2 ARG A 23 -0.622 -1.204 -17.511 1.00 0.00 N ATOM 0 H ARG A 23 1.723 2.104 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 23 2.149 3.665 -12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.179 1.185 -12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.429 1.148 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.209 2.181 -14.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.911 2.594 -14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.443 0.565 -15.550 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.639 -0.271 -14.236 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.427 0.718 -15.922 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.295 -1.546 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.514 -2.559 -17.350 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.437 -0.591 -17.499 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.604 -2.017 -18.127 1.00 0.00 H new ATOM 208 N GLN A 24 -1.128 3.242 -12.203 1.00 0.00 N ATOM 209 CA GLN A 24 -2.419 3.832 -12.510 1.00 0.00 C ATOM 210 C GLN A 24 -2.504 5.250 -11.939 1.00 0.00 C ATOM 211 O GLN A 24 -3.022 6.155 -12.591 1.00 0.00 O ATOM 212 CB GLN A 24 -3.561 2.960 -11.985 1.00 0.00 C ATOM 213 CG GLN A 24 -4.920 3.562 -12.343 1.00 0.00 C ATOM 214 CD GLN A 24 -5.927 2.468 -12.703 1.00 0.00 C ATOM 215 OE1 GLN A 24 -6.569 1.874 -11.853 1.00 0.00 O ATOM 216 NE2 GLN A 24 -6.029 2.235 -14.009 1.00 0.00 N ATOM 0 H GLN A 24 -1.173 2.344 -11.721 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.521 3.891 -13.594 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.481 1.958 -12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.478 2.859 -10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.296 4.145 -11.502 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.808 4.248 -13.182 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.462 2.768 -14.668 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.674 1.523 -14.351 1.00 0.00 H new ATOM 217 N GLN A 25 -1.989 5.396 -10.728 1.00 0.00 N ATOM 218 CA GLN A 25 -2.000 6.687 -10.061 1.00 0.00 C ATOM 219 C GLN A 25 -1.473 7.775 -11.000 1.00 0.00 C ATOM 220 O GLN A 25 -2.149 8.774 -11.240 1.00 0.00 O ATOM 221 CB GLN A 25 -1.188 6.642 -8.765 1.00 0.00 C ATOM 222 CG GLN A 25 -1.637 7.740 -7.799 1.00 0.00 C ATOM 223 CD GLN A 25 -1.163 9.116 -8.273 1.00 0.00 C ATOM 224 OE1 GLN A 25 0.009 9.345 -8.517 1.00 0.00 O ATOM 225 NE2 GLN A 25 -2.137 10.013 -8.387 1.00 0.00 N ATOM 0 H GLN A 25 -1.561 4.642 -10.191 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.030 6.929 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.304 5.667 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.128 6.762 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.724 7.734 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.241 7.538 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.098 9.753 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.923 10.961 -8.696 1.00 0.00 H new ATOM 226 N LEU A 26 -0.271 7.543 -11.506 1.00 0.00 N ATOM 227 CA LEU A 26 0.354 8.489 -12.414 1.00 0.00 C ATOM 228 C LEU A 26 -0.527 8.659 -13.654 1.00 0.00 C ATOM 229 O LEU A 26 -0.721 9.774 -14.133 1.00 0.00 O ATOM 230 CB LEU A 26 1.787 8.060 -12.733 1.00 0.00 C ATOM 231 CG LEU A 26 2.606 7.529 -11.554 1.00 0.00 C ATOM 232 CD1 LEU A 26 4.054 7.258 -11.970 1.00 0.00 C ATOM 233 CD2 LEU A 26 2.522 8.476 -10.356 1.00 0.00 C ATOM 0 H LEU A 26 0.287 6.713 -11.304 1.00 0.00 H new ATOM 0 HA LEU A 26 0.436 9.469 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.752 7.288 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.314 8.913 -13.161 1.00 0.00 H new ATOM 0 HG LEU A 26 2.177 6.577 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.614 6.882 -11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.070 6.517 -12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.510 8.183 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.113 8.074 -9.533 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.910 9.455 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.483 8.575 -10.042 1.00 0.00 H new ATOM 234 N ALA A 27 -1.036 7.536 -14.137 1.00 0.00 N ATOM 235 CA ALA A 27 -1.892 7.545 -15.311 1.00 0.00 C ATOM 236 C ALA A 27 -2.850 8.735 -15.227 1.00 0.00 C ATOM 237 O ALA A 27 -3.559 8.897 -14.237 1.00 0.00 O ATOM 238 CB ALA A 27 -2.629 6.209 -15.417 1.00 0.00 C ATOM 0 H ALA A 27 -0.872 6.612 -13.736 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.299 7.661 -16.218 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.271 6.216 -16.298 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.904 5.399 -15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.238 6.058 -14.526 1.00 0.00 H new ATOM 323 N TRP B 9 -9.568 -7.854 -9.756 1.00 0.00 N ATOM 324 CA TRP B 9 -8.678 -7.071 -10.596 1.00 0.00 C ATOM 325 C TRP B 9 -7.273 -7.143 -9.994 1.00 0.00 C ATOM 326 O TRP B 9 -7.079 -7.730 -8.931 1.00 0.00 O ATOM 327 CB TRP B 9 -9.190 -5.637 -10.749 1.00 0.00 C ATOM 328 CG TRP B 9 -9.860 -5.356 -12.095 1.00 0.00 C ATOM 329 CD1 TRP B 9 -11.142 -5.549 -12.435 1.00 0.00 C ATOM 330 CD2 TRP B 9 -9.226 -4.819 -13.275 1.00 0.00 C ATOM 331 NE1 TRP B 9 -11.379 -5.176 -13.743 1.00 0.00 N ATOM 332 CE2 TRP B 9 -10.178 -4.719 -14.270 1.00 0.00 C ATOM 333 CE3 TRP B 9 -7.894 -4.430 -13.496 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -9.898 -4.233 -15.553 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -7.629 -3.947 -14.782 1.00 0.00 C ATOM 336 CH2 TRP B 9 -8.576 -3.840 -15.795 1.00 0.00 C ATOM 0 HA TRP B 9 -8.644 -7.478 -11.607 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -9.902 -5.429 -9.950 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -8.355 -4.948 -10.619 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -11.895 -5.946 -11.770 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -12.272 -5.227 -14.233 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -7.134 -4.499 -12.732 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -10.661 -4.165 -16.315 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -6.619 -3.636 -15.004 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -8.293 -3.456 -16.764 1.00 0.00 H new ATOM 337 N LEU B 10 -6.330 -6.538 -10.701 1.00 0.00 N ATOM 338 CA LEU B 10 -4.949 -6.527 -10.250 1.00 0.00 C ATOM 339 C LEU B 10 -4.804 -5.540 -9.090 1.00 0.00 C ATOM 340 O LEU B 10 -4.246 -5.879 -8.048 1.00 0.00 O ATOM 341 CB LEU B 10 -4.005 -6.244 -11.420 1.00 0.00 C ATOM 342 CG LEU B 10 -4.306 -6.992 -12.721 1.00 0.00 C ATOM 343 CD1 LEU B 10 -3.126 -6.903 -13.690 1.00 0.00 C ATOM 344 CD2 LEU B 10 -4.708 -8.442 -12.439 1.00 0.00 C ATOM 0 H LEU B 10 -6.495 -6.052 -11.583 1.00 0.00 H new ATOM 0 HA LEU B 10 -4.664 -7.509 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -4.025 -5.174 -11.626 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.990 -6.490 -11.109 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.156 -6.510 -13.204 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.366 -7.443 -14.606 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.927 -5.858 -13.926 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.243 -7.345 -13.229 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.917 -8.951 -13.380 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.894 -8.951 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.600 -8.457 -11.813 1.00 0.00 H new ATOM 345 N ARG B 11 -5.314 -4.338 -9.311 1.00 0.00 N ATOM 346 CA ARG B 11 -5.248 -3.298 -8.297 1.00 0.00 C ATOM 347 C ARG B 11 -5.816 -3.813 -6.972 1.00 0.00 C ATOM 348 O ARG B 11 -5.237 -3.579 -5.913 1.00 0.00 O ATOM 349 CB ARG B 11 -6.029 -2.056 -8.730 1.00 0.00 C ATOM 350 CG ARG B 11 -7.497 -2.398 -9.000 1.00 0.00 C ATOM 351 CD ARG B 11 -8.120 -1.399 -9.979 1.00 0.00 C ATOM 352 NE ARG B 11 -9.460 -1.868 -10.395 1.00 0.00 N ATOM 353 CZ ARG B 11 -10.602 -1.573 -9.738 1.00 0.00 C ATOM 354 NH1 ARG B 11 -10.576 -0.807 -8.626 1.00 0.00 N ATOM 355 NH2 ARG B 11 -11.746 -2.046 -10.198 1.00 0.00 N ATOM 0 H ARG B 11 -5.775 -4.060 -10.177 1.00 0.00 H new ATOM 0 HA ARG B 11 -4.200 -3.027 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.966 -1.294 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.579 -1.634 -9.628 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -7.571 -3.406 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -8.054 -2.391 -8.063 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -8.198 -0.418 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.478 -1.285 -10.853 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.525 -2.450 -11.230 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.689 -0.446 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.444 -0.589 -8.136 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -11.758 -2.625 -11.038 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -12.618 -1.833 -9.713 1.00 0.00 H new ATOM 356 N GLU B 12 -6.941 -4.504 -7.076 1.00 0.00 N ATOM 357 CA GLU B 12 -7.593 -5.053 -5.900 1.00 0.00 C ATOM 358 C GLU B 12 -6.791 -6.235 -5.350 1.00 0.00 C ATOM 359 O GLU B 12 -6.643 -6.380 -4.138 1.00 0.00 O ATOM 360 CB GLU B 12 -9.033 -5.467 -6.212 1.00 0.00 C ATOM 361 CG GLU B 12 -10.000 -4.305 -5.978 1.00 0.00 C ATOM 362 CD GLU B 12 -10.661 -3.869 -7.287 1.00 0.00 C ATOM 363 OE1 GLU B 12 -9.902 -3.600 -8.243 1.00 0.00 O ATOM 364 OE2 GLU B 12 -11.909 -3.814 -7.302 1.00 0.00 O ATOM 0 H GLU B 12 -7.418 -4.696 -7.957 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.630 -4.277 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.103 -5.800 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.316 -6.312 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -10.766 -4.603 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.464 -3.464 -5.540 1.00 0.00 H new ATOM 365 N GLN B 13 -6.292 -7.048 -6.270 1.00 0.00 N ATOM 366 CA GLN B 13 -5.509 -8.213 -5.894 1.00 0.00 C ATOM 367 C GLN B 13 -4.446 -7.826 -4.862 1.00 0.00 C ATOM 368 O GLN B 13 -4.381 -8.414 -3.784 1.00 0.00 O ATOM 369 CB GLN B 13 -4.869 -8.864 -7.122 1.00 0.00 C ATOM 370 CG GLN B 13 -5.680 -10.075 -7.585 1.00 0.00 C ATOM 371 CD GLN B 13 -5.271 -11.333 -6.815 1.00 0.00 C ATOM 372 OE1 GLN B 13 -5.994 -11.839 -5.973 1.00 0.00 O ATOM 373 NE2 GLN B 13 -4.076 -11.810 -7.152 1.00 0.00 N ATOM 0 H GLN B 13 -6.415 -6.923 -7.275 1.00 0.00 H new ATOM 0 HA GLN B 13 -6.178 -8.946 -5.443 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -4.802 -8.136 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -3.851 -9.173 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -6.743 -9.883 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -5.529 -10.232 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -3.521 -11.338 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -3.715 -12.648 -6.697 1.00 0.00 H new ATOM 374 N CYS B 14 -3.641 -6.841 -5.230 1.00 0.00 N ATOM 375 CA CYS B 14 -2.585 -6.369 -4.350 1.00 0.00 C ATOM 376 C CYS B 14 -3.216 -5.967 -3.016 1.00 0.00 C ATOM 377 O CYS B 14 -2.736 -6.363 -1.954 1.00 0.00 O ATOM 378 CB CYS B 14 -1.798 -5.217 -4.979 1.00 0.00 C ATOM 379 SG CYS B 14 0.020 -5.353 -4.815 1.00 0.00 S ATOM 0 H CYS B 14 -3.698 -6.356 -6.126 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.862 -7.168 -4.183 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -2.050 -5.158 -6.038 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -2.121 -4.282 -4.522 1.00 0.00 H new ATOM 380 N CYS B 15 -4.282 -5.187 -3.112 1.00 0.00 N ATOM 381 CA CYS B 15 -4.983 -4.727 -1.925 1.00 0.00 C ATOM 382 C CYS B 15 -5.444 -5.953 -1.135 1.00 0.00 C ATOM 383 O CYS B 15 -5.395 -5.959 0.094 1.00 0.00 O ATOM 384 CB CYS B 15 -6.151 -3.805 -2.279 1.00 0.00 C ATOM 385 SG CYS B 15 -7.392 -3.592 -0.952 1.00 0.00 S ATOM 0 H CYS B 15 -4.678 -4.861 -3.994 1.00 0.00 H new ATOM 0 HA CYS B 15 -4.309 -4.131 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -5.754 -2.826 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -6.651 -4.199 -3.164 1.00 0.00 H new ATOM 386 N ASN B 16 -5.881 -6.964 -1.873 1.00 0.00 N ATOM 387 CA ASN B 16 -6.350 -8.192 -1.256 1.00 0.00 C ATOM 388 C ASN B 16 -5.158 -8.952 -0.669 1.00 0.00 C ATOM 389 O ASN B 16 -5.265 -9.554 0.398 1.00 0.00 O ATOM 390 CB ASN B 16 -7.028 -9.100 -2.284 1.00 0.00 C ATOM 391 CG ASN B 16 -8.552 -9.032 -2.155 1.00 0.00 C ATOM 392 OD1 ASN B 16 -9.014 -7.825 -1.840 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -9.260 -10.010 -2.331 1.00 0.00 N flip ATOM 0 H ASN B 16 -5.920 -6.957 -2.892 1.00 0.00 H new ATOM 0 HA ASN B 16 -7.067 -7.926 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.731 -8.802 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -6.693 -10.128 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -8.839 -10.908 -2.571 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.273 -9.930 -2.238 1.00 0.00 H new ATOM 394 N GLU B 17 -4.049 -8.897 -1.392 1.00 0.00 N ATOM 395 CA GLU B 17 -2.838 -9.572 -0.957 1.00 0.00 C ATOM 396 C GLU B 17 -2.434 -9.090 0.438 1.00 0.00 C ATOM 397 O GLU B 17 -1.987 -9.881 1.266 1.00 0.00 O ATOM 398 CB GLU B 17 -1.702 -9.362 -1.960 1.00 0.00 C ATOM 399 CG GLU B 17 -0.636 -8.423 -1.392 1.00 0.00 C ATOM 400 CD GLU B 17 0.197 -9.126 -0.319 1.00 0.00 C ATOM 401 OE1 GLU B 17 0.035 -10.358 -0.190 1.00 0.00 O ATOM 402 OE2 GLU B 17 0.978 -8.413 0.349 1.00 0.00 O ATOM 0 H GLU B 17 -3.964 -8.395 -2.276 1.00 0.00 H new ATOM 0 HA GLU B 17 -3.040 -10.642 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.250 -10.322 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -2.101 -8.947 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.015 -8.078 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.113 -7.540 -0.967 1.00 0.00 H new ATOM 403 N LEU B 18 -2.607 -7.795 0.654 1.00 0.00 N ATOM 404 CA LEU B 18 -2.265 -7.197 1.934 1.00 0.00 C ATOM 405 C LEU B 18 -3.365 -7.516 2.950 1.00 0.00 C ATOM 406 O LEU B 18 -3.080 -7.787 4.114 1.00 0.00 O ATOM 407 CB LEU B 18 -1.993 -5.701 1.772 1.00 0.00 C ATOM 408 CG LEU B 18 -3.057 -4.760 2.340 1.00 0.00 C ATOM 409 CD1 LEU B 18 -3.220 -4.964 3.848 1.00 0.00 C ATOM 410 CD2 LEU B 18 -2.745 -3.303 1.990 1.00 0.00 C ATOM 0 H LEU B 18 -2.980 -7.142 -0.036 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.339 -7.625 2.319 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.041 -5.471 2.250 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -1.876 -5.486 0.710 1.00 0.00 H new ATOM 0 HG LEU B 18 -4.012 -5.005 1.876 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.982 -4.283 4.227 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -3.522 -5.993 4.045 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -2.272 -4.762 4.347 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -3.517 -2.656 2.406 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -1.777 -3.028 2.408 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -2.719 -3.187 0.907 1.00 0.00 H new ATOM 411 N TYR B 19 -4.600 -7.471 2.470 1.00 0.00 N ATOM 412 CA TYR B 19 -5.743 -7.751 3.321 1.00 0.00 C ATOM 413 C TYR B 19 -5.647 -9.154 3.924 1.00 0.00 C ATOM 414 O TYR B 19 -5.408 -9.304 5.121 1.00 0.00 O ATOM 415 CB TYR B 19 -6.973 -7.684 2.412 1.00 0.00 C ATOM 416 CG TYR B 19 -7.918 -6.523 2.730 1.00 0.00 C ATOM 417 CD1 TYR B 19 -7.637 -5.256 2.262 1.00 0.00 C ATOM 418 CD2 TYR B 19 -9.051 -6.744 3.487 1.00 0.00 C ATOM 419 CE1 TYR B 19 -8.526 -4.164 2.561 1.00 0.00 C ATOM 420 CE2 TYR B 19 -9.941 -5.652 3.786 1.00 0.00 C ATOM 421 CZ TYR B 19 -9.634 -4.416 3.308 1.00 0.00 C ATOM 422 OH TYR B 19 -10.475 -3.384 3.591 1.00 0.00 O ATOM 0 H TYR B 19 -4.833 -7.245 1.503 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.792 -7.038 4.144 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -6.643 -7.598 1.377 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.524 -8.621 2.494 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -6.750 -5.083 1.671 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -9.270 -7.736 3.855 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -8.318 -3.168 2.200 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -10.832 -5.811 4.376 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.861 -3.039 2.759 1.00 0.00 H new ATOM 423 N GLN B 20 -5.840 -10.147 3.067 1.00 0.00 N ATOM 424 CA GLN B 20 -5.778 -11.532 3.501 1.00 0.00 C ATOM 425 C GLN B 20 -4.644 -11.723 4.508 1.00 0.00 C ATOM 426 O GLN B 20 -4.767 -12.509 5.446 1.00 0.00 O ATOM 427 CB GLN B 20 -5.614 -12.473 2.306 1.00 0.00 C ATOM 428 CG GLN B 20 -6.901 -12.541 1.480 1.00 0.00 C ATOM 429 CD GLN B 20 -7.338 -13.991 1.263 1.00 0.00 C ATOM 430 OE1 GLN B 20 -8.492 -14.350 1.425 1.00 0.00 O ATOM 431 NE2 GLN B 20 -6.353 -14.802 0.885 1.00 0.00 N ATOM 0 H GLN B 20 -6.039 -10.019 2.075 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.719 -11.781 3.992 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.792 -12.129 1.678 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -5.350 -13.470 2.658 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -7.693 -11.991 1.988 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.745 -12.057 0.516 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -5.408 -14.436 0.768 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -6.543 -15.789 0.713 1.00 0.00 H new ATOM 432 N GLU B 21 -3.563 -10.990 4.280 1.00 0.00 N ATOM 433 CA GLU B 21 -2.407 -11.069 5.157 1.00 0.00 C ATOM 434 C GLU B 21 -2.792 -10.663 6.581 1.00 0.00 C ATOM 435 O GLU B 21 -3.876 -10.999 7.055 1.00 0.00 O ATOM 436 CB GLU B 21 -1.259 -10.204 4.631 1.00 0.00 C ATOM 437 CG GLU B 21 0.094 -10.752 5.088 1.00 0.00 C ATOM 438 CD GLU B 21 0.746 -11.591 3.987 1.00 0.00 C ATOM 439 OE1 GLU B 21 0.298 -12.717 3.720 1.00 0.00 O ATOM 440 OE2 GLU B 21 1.751 -11.036 3.401 1.00 0.00 O ATOM 0 H GLU B 21 -3.464 -10.339 3.501 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.060 -12.102 5.176 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.293 -10.171 3.542 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.379 -9.180 4.985 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.752 -9.926 5.359 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.039 -11.360 5.983 1.00 0.00 H new ATOM 441 N ASP B 22 -1.882 -9.945 7.224 1.00 0.00 N ATOM 442 CA ASP B 22 -2.112 -9.489 8.584 1.00 0.00 C ATOM 443 C ASP B 22 -2.184 -7.960 8.600 1.00 0.00 C ATOM 444 O ASP B 22 -1.207 -7.286 8.276 1.00 0.00 O ATOM 445 CB ASP B 22 -0.973 -9.918 9.510 1.00 0.00 C ATOM 446 CG ASP B 22 -0.071 -11.024 8.956 1.00 0.00 C ATOM 447 OD1 ASP B 22 0.843 -10.623 8.138 1.00 0.00 O ATOM 448 OD2 ASP B 22 -0.234 -12.207 9.287 1.00 0.00 O ATOM 0 H ASP B 22 -0.984 -9.668 6.828 1.00 0.00 H new ATOM 0 HA ASP B 22 -3.046 -9.930 8.933 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -0.358 -9.046 9.733 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -1.400 -10.257 10.454 1.00 0.00 H new ATOM 449 N GLN B 23 -3.350 -7.458 8.980 1.00 0.00 N ATOM 450 CA GLN B 23 -3.561 -6.022 9.042 1.00 0.00 C ATOM 451 C GLN B 23 -2.392 -5.344 9.761 1.00 0.00 C ATOM 452 O GLN B 23 -2.226 -4.129 9.674 1.00 0.00 O ATOM 453 CB GLN B 23 -4.890 -5.693 9.725 1.00 0.00 C ATOM 454 CG GLN B 23 -4.804 -5.928 11.235 1.00 0.00 C ATOM 455 CD GLN B 23 -5.217 -4.675 12.009 1.00 0.00 C ATOM 456 OE1 GLN B 23 -6.258 -4.084 11.775 1.00 0.00 O ATOM 457 NE2 GLN B 23 -4.343 -4.302 12.942 1.00 0.00 N ATOM 0 H GLN B 23 -4.158 -8.020 9.248 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.608 -5.637 8.024 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.156 -4.654 9.530 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.683 -6.310 9.302 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.449 -6.761 11.514 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -3.786 -6.208 11.506 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -3.490 -4.842 13.087 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -4.527 -3.476 13.512 1.00 0.00 H new ATOM 458 N VAL B 24 -1.613 -6.160 10.456 1.00 0.00 N ATOM 459 CA VAL B 24 -0.465 -5.654 11.188 1.00 0.00 C ATOM 460 C VAL B 24 0.191 -4.528 10.387 1.00 0.00 C ATOM 461 O VAL B 24 0.754 -3.598 10.963 1.00 0.00 O ATOM 462 CB VAL B 24 0.498 -6.799 11.508 1.00 0.00 C ATOM 463 CG1 VAL B 24 1.809 -6.645 10.736 1.00 0.00 C ATOM 464 CG2 VAL B 24 0.756 -6.895 13.013 1.00 0.00 C ATOM 0 H VAL B 24 -1.754 -7.168 10.527 1.00 0.00 H new ATOM 0 HA VAL B 24 -0.778 -5.233 12.144 1.00 0.00 H new ATOM 0 HB VAL B 24 0.029 -7.730 11.189 1.00 0.00 H new ATOM 0 HG11 VAL B 24 2.475 -7.472 10.982 1.00 0.00 H new ATOM 0 HG12 VAL B 24 1.604 -6.650 9.666 1.00 0.00 H new ATOM 0 HG13 VAL B 24 2.284 -5.703 11.010 1.00 0.00 H new ATOM 0 HG21 VAL B 24 1.444 -7.717 13.213 1.00 0.00 H new ATOM 0 HG22 VAL B 24 1.193 -5.962 13.367 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -0.185 -7.075 13.533 1.00 0.00 H new ATOM 465 N CYS B 25 0.097 -4.649 9.071 1.00 0.00 N ATOM 466 CA CYS B 25 0.675 -3.653 8.185 1.00 0.00 C ATOM 467 C CYS B 25 -0.430 -2.677 7.776 1.00 0.00 C ATOM 468 O CYS B 25 -0.672 -2.471 6.587 1.00 0.00 O ATOM 469 CB CYS B 25 1.345 -4.298 6.970 1.00 0.00 C ATOM 470 SG CYS B 25 2.895 -5.198 7.338 1.00 0.00 S ATOM 0 H CYS B 25 -0.371 -5.422 8.597 1.00 0.00 H new ATOM 0 HA CYS B 25 1.463 -3.111 8.707 1.00 0.00 H new ATOM 0 HB2 CYS B 25 0.640 -4.990 6.508 1.00 0.00 H new ATOM 0 HB3 CYS B 25 1.558 -3.522 6.235 1.00 0.00 H new ATOM 471 N VAL B 26 -1.070 -2.102 8.782 1.00 0.00 N ATOM 472 CA VAL B 26 -2.144 -1.152 8.542 1.00 0.00 C ATOM 473 C VAL B 26 -1.843 -0.362 7.266 1.00 0.00 C ATOM 474 O VAL B 26 -2.330 -0.707 6.190 1.00 0.00 O ATOM 475 CB VAL B 26 -2.335 -0.256 9.768 1.00 0.00 C ATOM 476 CG1 VAL B 26 -2.908 1.105 9.369 1.00 0.00 C ATOM 477 CG2 VAL B 26 -3.219 -0.940 10.813 1.00 0.00 C ATOM 0 H VAL B 26 -0.866 -2.275 9.766 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.088 -1.674 8.388 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.356 -0.087 10.216 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.034 1.722 10.259 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -2.225 1.599 8.678 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.875 0.965 8.885 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.339 -0.283 11.674 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.196 -1.153 10.380 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -2.752 -1.872 11.131 1.00 0.00 H new ATOM 478 N CYS B 27 -1.044 0.681 7.428 1.00 0.00 N ATOM 479 CA CYS B 27 -0.673 1.523 6.303 1.00 0.00 C ATOM 480 C CYS B 27 0.811 1.870 6.431 1.00 0.00 C ATOM 481 O CYS B 27 1.270 2.868 5.877 1.00 0.00 O ATOM 482 CB CYS B 27 -1.548 2.775 6.221 1.00 0.00 C ATOM 483 SG CYS B 27 -2.367 3.035 4.606 1.00 0.00 S ATOM 0 H CYS B 27 -0.642 0.963 8.322 1.00 0.00 H new ATOM 0 HA CYS B 27 -0.839 0.983 5.371 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -2.313 2.718 6.995 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -0.933 3.646 6.445 1.00 0.00 H new ATOM 484 N PRO B 28 1.541 1.005 7.186 1.00 0.00 N ATOM 485 CA PRO B 28 2.965 1.211 7.393 1.00 0.00 C ATOM 486 C PRO B 28 3.760 0.843 6.140 1.00 0.00 C ATOM 487 O PRO B 28 4.857 1.357 5.924 1.00 0.00 O ATOM 488 CB PRO B 28 3.315 0.347 8.594 1.00 0.00 C ATOM 489 CG PRO B 28 2.185 -0.662 8.726 1.00 0.00 C ATOM 490 CD PRO B 28 1.033 -0.187 7.858 1.00 0.00 C ATOM 0 HA PRO B 28 3.217 2.255 7.582 1.00 0.00 H new ATOM 0 HB2 PRO B 28 4.272 -0.155 8.448 1.00 0.00 H new ATOM 0 HB3 PRO B 28 3.406 0.951 9.496 1.00 0.00 H new ATOM 0 HG2 PRO B 28 2.518 -1.651 8.411 1.00 0.00 H new ATOM 0 HG3 PRO B 28 1.869 -0.748 9.766 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.738 -0.951 7.139 1.00 0.00 H new ATOM 0 HD3 PRO B 28 0.153 0.042 8.459 1.00 0.00 H new ATOM 491 N THR B 29 3.178 -0.044 5.347 1.00 0.00 N ATOM 492 CA THR B 29 3.819 -0.486 4.120 1.00 0.00 C ATOM 493 C THR B 29 3.900 0.665 3.115 1.00 0.00 C ATOM 494 O THR B 29 4.973 1.228 2.896 1.00 0.00 O ATOM 495 CB THR B 29 3.047 -1.697 3.593 1.00 0.00 C ATOM 496 OG1 THR B 29 1.749 -1.557 4.163 1.00 0.00 O ATOM 497 CG2 THR B 29 3.565 -3.018 4.169 1.00 0.00 C ATOM 0 H THR B 29 2.269 -0.469 5.530 1.00 0.00 H new ATOM 0 HA THR B 29 4.849 -0.792 4.301 1.00 0.00 H new ATOM 0 HB THR B 29 3.113 -1.723 2.505 1.00 0.00 H new ATOM 0 HG1 THR B 29 1.182 -2.301 3.871 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.983 -3.845 3.763 1.00 0.00 H new ATOM 0 HG22 THR B 29 4.614 -3.146 3.900 1.00 0.00 H new ATOM 0 HG23 THR B 29 3.468 -3.005 5.255 1.00 0.00 H new ATOM 498 N LEU B 30 2.754 0.982 2.532 1.00 0.00 N ATOM 499 CA LEU B 30 2.682 2.056 1.557 1.00 0.00 C ATOM 500 C LEU B 30 3.639 3.178 1.968 1.00 0.00 C ATOM 501 O LEU B 30 4.300 3.776 1.120 1.00 0.00 O ATOM 502 CB LEU B 30 1.235 2.519 1.375 1.00 0.00 C ATOM 503 CG LEU B 30 0.170 1.691 2.098 1.00 0.00 C ATOM 504 CD1 LEU B 30 0.100 0.273 1.530 1.00 0.00 C ATOM 505 CD2 LEU B 30 0.407 1.694 3.609 1.00 0.00 C ATOM 0 H LEU B 30 1.867 0.513 2.716 1.00 0.00 H new ATOM 0 HA LEU B 30 3.005 1.703 0.578 1.00 0.00 H new ATOM 0 HB2 LEU B 30 1.159 3.551 1.717 1.00 0.00 H new ATOM 0 HB3 LEU B 30 1.006 2.519 0.309 1.00 0.00 H new ATOM 0 HG LEU B 30 -0.801 2.155 1.924 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -0.664 -0.294 2.061 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.152 0.318 0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 30 1.066 -0.216 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.363 1.099 4.099 1.00 0.00 H new ATOM 0 HD22 LEU B 30 1.387 1.268 3.824 1.00 0.00 H new ATOM 0 HD23 LEU B 30 0.367 2.718 3.982 1.00 0.00 H new ATOM 506 N LYS B 31 3.683 3.428 3.267 1.00 0.00 N ATOM 507 CA LYS B 31 4.547 4.467 3.801 1.00 0.00 C ATOM 508 C LYS B 31 5.871 4.465 3.034 1.00 0.00 C ATOM 509 O LYS B 31 6.279 5.492 2.491 1.00 0.00 O ATOM 510 CB LYS B 31 4.713 4.301 5.313 1.00 0.00 C ATOM 511 CG LYS B 31 4.305 5.578 6.051 1.00 0.00 C ATOM 512 CD LYS B 31 2.860 5.485 6.549 1.00 0.00 C ATOM 513 CE LYS B 31 1.887 5.326 5.379 1.00 0.00 C ATOM 514 NZ LYS B 31 1.838 6.567 4.574 1.00 0.00 N ATOM 0 H LYS B 31 3.134 2.929 3.967 1.00 0.00 H new ATOM 0 HA LYS B 31 4.096 5.449 3.659 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.105 3.466 5.660 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.750 4.058 5.544 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.974 5.744 6.895 1.00 0.00 H new ATOM 0 HG3 LYS B 31 4.410 6.436 5.387 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.759 4.638 7.228 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.609 6.381 7.117 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.197 4.490 4.751 1.00 0.00 H new ATOM 0 HE3 LYS B 31 0.892 5.090 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.917 7.031 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.597 7.209 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.966 6.334 3.569 1.00 0.00 H new ATOM 515 N GLN B 32 6.506 3.303 3.013 1.00 0.00 N ATOM 516 CA GLN B 32 7.775 3.155 2.321 1.00 0.00 C ATOM 517 C GLN B 32 7.541 2.941 0.824 1.00 0.00 C ATOM 518 O GLN B 32 8.165 3.600 -0.006 1.00 0.00 O ATOM 519 CB GLN B 32 8.594 2.009 2.917 1.00 0.00 C ATOM 520 CG GLN B 32 9.707 2.543 3.821 1.00 0.00 C ATOM 521 CD GLN B 32 11.086 2.213 3.247 1.00 0.00 C ATOM 522 OE1 GLN B 32 11.225 1.748 2.128 1.00 0.00 O ATOM 523 NE2 GLN B 32 12.093 2.478 4.074 1.00 0.00 N ATOM 0 H GLN B 32 6.165 2.454 3.464 1.00 0.00 H new ATOM 0 HA GLN B 32 8.347 4.073 2.452 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.941 1.350 3.489 1.00 0.00 H new ATOM 0 HB3 GLN B 32 9.027 1.411 2.115 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.604 3.622 3.931 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.611 2.110 4.817 1.00 0.00 H new ATOM 0 HE21 GLN B 32 11.905 2.867 4.998 1.00 0.00 H new ATOM 0 HE22 GLN B 32 13.053 2.292 3.784 1.00 0.00 H new ATOM 524 N ALA B 33 6.639 2.018 0.524 1.00 0.00 N ATOM 525 CA ALA B 33 6.316 1.708 -0.858 1.00 0.00 C ATOM 526 C ALA B 33 6.212 3.009 -1.657 1.00 0.00 C ATOM 527 O ALA B 33 6.811 3.138 -2.723 1.00 0.00 O ATOM 528 CB ALA B 33 5.026 0.888 -0.910 1.00 0.00 C ATOM 0 H ALA B 33 6.122 1.475 1.215 1.00 0.00 H new ATOM 0 HA ALA B 33 7.104 1.105 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.784 0.656 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.161 -0.039 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.212 1.462 -0.467 1.00 0.00 H new ATOM 529 N ALA B 34 5.446 3.943 -1.109 1.00 0.00 N ATOM 530 CA ALA B 34 5.256 5.229 -1.757 1.00 0.00 C ATOM 531 C ALA B 34 6.519 6.073 -1.585 1.00 0.00 C ATOM 532 O ALA B 34 6.950 6.750 -2.518 1.00 0.00 O ATOM 533 CB ALA B 34 4.014 5.913 -1.179 1.00 0.00 C ATOM 0 H ALA B 34 4.951 3.834 -0.224 1.00 0.00 H new ATOM 0 HA ALA B 34 5.089 5.099 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.871 6.878 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.139 5.286 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.146 6.062 -0.107 1.00 0.00 H new ATOM 534 N LYS B 35 7.079 6.006 -0.386 1.00 0.00 N ATOM 535 CA LYS B 35 8.286 6.757 -0.080 1.00 0.00 C ATOM 536 C LYS B 35 9.219 6.729 -1.292 1.00 0.00 C ATOM 537 O LYS B 35 9.921 7.702 -1.562 1.00 0.00 O ATOM 538 CB LYS B 35 8.930 6.234 1.205 1.00 0.00 C ATOM 539 CG LYS B 35 10.223 6.992 1.517 1.00 0.00 C ATOM 540 CD LYS B 35 9.922 8.396 2.044 1.00 0.00 C ATOM 541 CE LYS B 35 11.178 9.268 2.029 1.00 0.00 C ATOM 542 NZ LYS B 35 11.922 9.129 3.301 1.00 0.00 N ATOM 0 H LYS B 35 6.720 5.443 0.385 1.00 0.00 H new ATOM 0 HA LYS B 35 8.046 7.803 0.114 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.232 6.341 2.035 1.00 0.00 H new ATOM 0 HB3 LYS B 35 9.143 5.170 1.102 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.804 6.439 2.256 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.835 7.061 0.617 1.00 0.00 H new ATOM 0 HD2 LYS B 35 9.146 8.859 1.434 1.00 0.00 H new ATOM 0 HD3 LYS B 35 9.532 8.331 3.060 1.00 0.00 H new ATOM 0 HE2 LYS B 35 11.817 8.981 1.194 1.00 0.00 H new ATOM 0 HE3 LYS B 35 10.902 10.311 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 12.772 9.728 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 11.315 9.425 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 12.202 8.136 3.432 1.00 0.00 H new ATOM 543 N SER B 36 9.198 5.603 -1.990 1.00 0.00 N ATOM 544 CA SER B 36 10.034 5.436 -3.167 1.00 0.00 C ATOM 545 C SER B 36 9.380 6.115 -4.373 1.00 0.00 C ATOM 546 O SER B 36 9.917 7.081 -4.912 1.00 0.00 O ATOM 547 CB SER B 36 10.281 3.955 -3.460 1.00 0.00 C ATOM 548 OG SER B 36 10.807 3.267 -2.329 1.00 0.00 O ATOM 0 H SER B 36 8.615 4.797 -1.763 1.00 0.00 H new ATOM 0 HA SER B 36 10.998 5.906 -2.973 1.00 0.00 H new ATOM 0 HB2 SER B 36 9.346 3.486 -3.767 1.00 0.00 H new ATOM 0 HB3 SER B 36 10.974 3.862 -4.296 1.00 0.00 H new ATOM 0 HG SER B 36 10.949 2.324 -2.556 1.00 0.00 H new ATOM 549 N VAL B 37 8.232 5.581 -4.762 1.00 0.00 N ATOM 550 CA VAL B 37 7.500 6.122 -5.894 1.00 0.00 C ATOM 551 C VAL B 37 7.338 7.633 -5.716 1.00 0.00 C ATOM 552 O VAL B 37 8.142 8.412 -6.224 1.00 0.00 O ATOM 553 CB VAL B 37 6.164 5.392 -6.053 1.00 0.00 C ATOM 554 CG1 VAL B 37 5.115 6.302 -6.693 1.00 0.00 C ATOM 555 CG2 VAL B 37 6.337 4.102 -6.857 1.00 0.00 C ATOM 0 H VAL B 37 7.790 4.779 -4.313 1.00 0.00 H new ATOM 0 HA VAL B 37 8.054 5.961 -6.819 1.00 0.00 H new ATOM 0 HB VAL B 37 5.809 5.121 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL B 37 4.175 5.759 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL B 37 4.961 7.179 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL B 37 5.460 6.618 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL B 37 5.373 3.603 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL B 37 6.725 4.340 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.036 3.443 -6.342 1.00 0.00 H new ATOM 556 N ARG B 38 6.291 8.002 -4.991 1.00 0.00 N ATOM 557 CA ARG B 38 6.013 9.406 -4.740 1.00 0.00 C ATOM 558 C ARG B 38 7.290 10.235 -4.889 1.00 0.00 C ATOM 559 O ARG B 38 7.707 10.543 -6.006 1.00 0.00 O ATOM 560 CB ARG B 38 5.442 9.611 -3.335 1.00 0.00 C ATOM 561 CG ARG B 38 3.965 9.215 -3.280 1.00 0.00 C ATOM 562 CD ARG B 38 3.172 9.899 -4.395 1.00 0.00 C ATOM 563 NE ARG B 38 1.923 10.475 -3.849 1.00 0.00 N ATOM 564 CZ ARG B 38 0.854 10.813 -4.599 1.00 0.00 C ATOM 565 NH1 ARG B 38 0.872 10.638 -5.938 1.00 0.00 N ATOM 566 NH2 ARG B 38 -0.211 11.319 -4.005 1.00 0.00 N ATOM 0 H ARG B 38 5.626 7.353 -4.570 1.00 0.00 H new ATOM 0 HA ARG B 38 5.275 9.734 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG B 38 6.008 9.017 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG B 38 5.553 10.655 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG B 38 3.871 8.133 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG B 38 3.547 9.489 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG B 38 3.775 10.684 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG B 38 2.938 9.180 -5.180 1.00 0.00 H new ATOM 0 HE ARG B 38 1.867 10.626 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG B 38 1.699 10.247 -6.390 1.00 0.00 H new ATOM 0 HH12 ARG B 38 0.059 10.896 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -0.217 11.449 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -1.028 11.580 -4.558 1.00 0.00 H new ATOM 567 N VAL B 39 7.875 10.574 -3.751 1.00 0.00 N ATOM 568 CA VAL B 39 9.095 11.362 -3.742 1.00 0.00 C ATOM 569 C VAL B 39 9.605 11.521 -5.175 1.00 0.00 C ATOM 570 O VAL B 39 10.072 10.558 -5.782 1.00 0.00 O ATOM 571 CB VAL B 39 10.125 10.720 -2.809 1.00 0.00 C ATOM 572 CG1 VAL B 39 9.466 10.236 -1.515 1.00 0.00 C ATOM 573 CG2 VAL B 39 10.864 9.579 -3.509 1.00 0.00 C ATOM 0 H VAL B 39 7.527 10.317 -2.827 1.00 0.00 H new ATOM 0 HA VAL B 39 8.901 12.362 -3.353 1.00 0.00 H new ATOM 0 HB VAL B 39 10.859 11.482 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL B 39 10.219 9.784 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL B 39 9.008 11.082 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL B 39 8.700 9.497 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL B 39 11.590 9.141 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.148 8.816 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.382 9.965 -4.387 1.00 0.00 H new ATOM 574 N GLN B 40 9.499 12.744 -5.674 1.00 0.00 N ATOM 575 CA GLN B 40 9.944 13.041 -7.026 1.00 0.00 C ATOM 576 C GLN B 40 11.171 12.197 -7.378 1.00 0.00 C ATOM 577 O GLN B 40 11.959 11.846 -6.502 1.00 0.00 O ATOM 578 CB GLN B 40 10.239 14.533 -7.189 1.00 0.00 C ATOM 579 CG GLN B 40 10.910 14.815 -8.535 1.00 0.00 C ATOM 580 CD GLN B 40 12.398 14.460 -8.490 1.00 0.00 C ATOM 581 OE1 GLN B 40 13.000 14.325 -7.436 1.00 0.00 O ATOM 582 NE2 GLN B 40 12.956 14.315 -9.688 1.00 0.00 N ATOM 0 H GLN B 40 9.112 13.540 -5.167 1.00 0.00 H new ATOM 0 HA GLN B 40 9.141 12.785 -7.718 1.00 0.00 H new ATOM 0 HB2 GLN B 40 9.312 15.101 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN B 40 10.885 14.870 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN B 40 10.418 14.238 -9.319 1.00 0.00 H new ATOM 0 HG3 GLN B 40 10.791 15.868 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN B 40 12.395 14.442 -10.531 1.00 0.00 H new ATOM 0 HE22 GLN B 40 13.945 14.077 -9.765 1.00 0.00 H new ATOM 583 N GLY B 41 11.294 11.898 -8.663 1.00 0.00 N ATOM 584 CA GLY B 41 12.412 11.103 -9.142 1.00 0.00 C ATOM 585 C GLY B 41 12.039 10.347 -10.419 1.00 0.00 C ATOM 586 O GLY B 41 12.821 10.298 -11.367 1.00 0.00 O ATOM 0 H GLY B 41 10.638 12.192 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY B 41 13.267 11.751 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY B 41 12.716 10.395 -8.371 1.00 0.00 H new ATOM 587 N GLN B 42 10.843 9.776 -10.403 1.00 0.00 N ATOM 588 CA GLN B 42 10.357 9.024 -11.548 1.00 0.00 C ATOM 589 C GLN B 42 8.998 9.564 -11.999 1.00 0.00 C ATOM 590 O GLN B 42 8.446 9.108 -12.998 1.00 0.00 O ATOM 591 CB GLN B 42 10.274 7.530 -11.228 1.00 0.00 C ATOM 592 CG GLN B 42 11.253 6.730 -12.089 1.00 0.00 C ATOM 593 CD GLN B 42 11.128 7.117 -13.564 1.00 0.00 C ATOM 594 OE1 GLN B 42 10.110 7.612 -14.018 1.00 0.00 O ATOM 595 NE2 GLN B 42 12.217 6.864 -14.284 1.00 0.00 N ATOM 0 H GLN B 42 10.196 9.819 -9.615 1.00 0.00 H new ATOM 0 HA GLN B 42 11.066 9.148 -12.367 1.00 0.00 H new ATOM 0 HB2 GLN B 42 10.495 7.368 -10.173 1.00 0.00 H new ATOM 0 HB3 GLN B 42 9.258 7.174 -11.399 1.00 0.00 H new ATOM 0 HG2 GLN B 42 12.273 6.908 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.059 5.664 -11.971 1.00 0.00 H new ATOM 0 HE21 GLN B 42 13.036 6.448 -13.841 1.00 0.00 H new ATOM 0 HE22 GLN B 42 12.233 7.086 -15.279 1.00 0.00 H new ATOM 596 N HIS B 43 8.498 10.528 -11.238 1.00 0.00 N ATOM 597 CA HIS B 43 7.215 11.134 -11.548 1.00 0.00 C ATOM 598 C HIS B 43 7.207 12.588 -11.072 1.00 0.00 C ATOM 599 O HIS B 43 6.379 12.971 -10.247 1.00 0.00 O ATOM 600 CB HIS B 43 6.068 10.311 -10.957 1.00 0.00 C ATOM 601 CG HIS B 43 4.701 10.914 -11.180 1.00 0.00 C ATOM 602 ND1 HIS B 43 4.029 11.879 -10.490 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 3.871 10.523 -12.216 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 2.853 12.070 -11.074 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 2.752 11.230 -12.144 1.00 0.00 N flip ATOM 0 H HIS B 43 8.958 10.903 -10.409 1.00 0.00 H new ATOM 0 HA HIS B 43 7.063 11.140 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS B 43 6.089 9.312 -11.393 1.00 0.00 H new ATOM 0 HB3 HIS B 43 6.232 10.195 -9.886 1.00 0.00 H new ATOM 0 HD1 HIS B 43 4.372 12.371 -9.665 1.00 0.00 H new ATOM 0 HD2 HIS B 43 4.096 9.770 -12.957 1.00 0.00 H new ATOM 0 HE1 HIS B 43 2.100 12.775 -10.755 1.00 0.00 H new ATOM 606 N GLY B 44 8.137 13.360 -11.614 1.00 0.00 N ATOM 607 CA GLY B 44 8.248 14.764 -11.255 1.00 0.00 C ATOM 608 C GLY B 44 7.875 14.986 -9.788 1.00 0.00 C ATOM 609 O GLY B 44 7.948 14.064 -8.979 1.00 0.00 O ATOM 0 H GLY B 44 8.821 13.040 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.267 15.109 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY B 44 7.596 15.359 -11.894 1.00 0.00 H new ATOM 610 N PRO B 45 7.471 16.249 -9.484 1.00 0.00 N ATOM 611 CA PRO B 45 7.085 16.604 -8.129 1.00 0.00 C ATOM 612 C PRO B 45 5.704 16.043 -7.787 1.00 0.00 C ATOM 613 O PRO B 45 4.908 15.755 -8.680 1.00 0.00 O ATOM 614 CB PRO B 45 7.135 18.122 -8.091 1.00 0.00 C ATOM 615 CG PRO B 45 7.093 18.578 -9.541 1.00 0.00 C ATOM 616 CD PRO B 45 7.372 17.367 -10.417 1.00 0.00 C ATOM 0 HA PRO B 45 7.749 16.178 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO B 45 6.292 18.526 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO B 45 8.043 18.470 -7.598 1.00 0.00 H new ATOM 0 HG2 PRO B 45 6.119 19.005 -9.779 1.00 0.00 H new ATOM 0 HG3 PRO B 45 7.835 19.357 -9.718 1.00 0.00 H new ATOM 0 HD2 PRO B 45 6.572 17.209 -11.141 1.00 0.00 H new ATOM 0 HD3 PRO B 45 8.295 17.492 -10.984 1.00 0.00 H new ATOM 617 N PHE B 46 5.461 15.904 -6.492 1.00 0.00 N ATOM 618 CA PHE B 46 4.188 15.381 -6.021 1.00 0.00 C ATOM 619 C PHE B 46 3.904 15.840 -4.590 1.00 0.00 C ATOM 620 O PHE B 46 4.824 15.984 -3.786 1.00 0.00 O ATOM 621 CB PHE B 46 4.295 13.856 -6.043 1.00 0.00 C ATOM 622 CG PHE B 46 3.218 13.169 -6.885 1.00 0.00 C ATOM 623 CD1 PHE B 46 1.981 13.725 -6.991 1.00 0.00 C ATOM 624 CD2 PHE B 46 3.497 12.003 -7.528 1.00 0.00 C ATOM 625 CE1 PHE B 46 0.981 13.087 -7.773 1.00 0.00 C ATOM 626 CE2 PHE B 46 2.497 11.366 -8.309 1.00 0.00 C ATOM 627 CZ PHE B 46 1.260 11.921 -8.415 1.00 0.00 C ATOM 0 H PHE B 46 6.123 16.144 -5.754 1.00 0.00 H new ATOM 0 HA PHE B 46 3.379 15.741 -6.657 1.00 0.00 H new ATOM 0 HB2 PHE B 46 5.276 13.576 -6.428 1.00 0.00 H new ATOM 0 HB3 PHE B 46 4.235 13.483 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE B 46 1.759 14.651 -6.481 1.00 0.00 H new ATOM 0 HD2 PHE B 46 4.479 11.562 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -0.001 13.528 -7.858 1.00 0.00 H new ATOM 0 HE2 PHE B 46 2.719 10.440 -8.819 1.00 0.00 H new ATOM 0 HZ PHE B 46 0.499 11.436 -9.009 1.00 0.00 H new ATOM 628 N GLN B 47 2.626 16.058 -4.315 1.00 0.00 N ATOM 629 CA GLN B 47 2.209 16.497 -2.994 1.00 0.00 C ATOM 630 C GLN B 47 1.963 15.290 -2.086 1.00 0.00 C ATOM 631 O GLN B 47 0.998 15.269 -1.323 1.00 0.00 O ATOM 632 CB GLN B 47 0.964 17.383 -3.079 1.00 0.00 C ATOM 633 CG GLN B 47 1.347 18.850 -3.280 1.00 0.00 C ATOM 634 CD GLN B 47 0.582 19.461 -4.455 1.00 0.00 C ATOM 635 OE1 GLN B 47 1.036 19.474 -5.586 1.00 0.00 O ATOM 636 NE2 GLN B 47 -0.604 19.965 -4.124 1.00 0.00 N ATOM 0 H GLN B 47 1.866 15.939 -4.985 1.00 0.00 H new ATOM 0 HA GLN B 47 3.011 17.094 -2.561 1.00 0.00 H new ATOM 0 HB2 GLN B 47 0.333 17.052 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.376 17.279 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN B 47 1.134 19.413 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN B 47 2.419 18.928 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.925 19.921 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -1.193 20.395 -4.838 1.00 0.00 H new ATOM 637 N SER B 48 2.851 14.314 -2.199 1.00 0.00 N ATOM 638 CA SER B 48 2.743 13.107 -1.399 1.00 0.00 C ATOM 639 C SER B 48 2.992 13.433 0.076 1.00 0.00 C ATOM 640 O SER B 48 2.178 13.100 0.935 1.00 0.00 O ATOM 641 CB SER B 48 3.725 12.037 -1.880 1.00 0.00 C ATOM 642 OG SER B 48 5.074 12.491 -1.836 1.00 0.00 O ATOM 0 H SER B 48 3.649 14.335 -2.833 1.00 0.00 H new ATOM 0 HA SER B 48 1.734 12.711 -1.512 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.622 11.146 -1.260 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.473 11.747 -2.900 1.00 0.00 H new ATOM 0 HG SER B 48 5.594 11.914 -1.239 1.00 0.00 H new ATOM 643 N THR B 49 4.122 14.079 0.323 1.00 0.00 N ATOM 644 CA THR B 49 4.490 14.453 1.678 1.00 0.00 C ATOM 645 C THR B 49 3.239 14.759 2.504 1.00 0.00 C ATOM 646 O THR B 49 3.178 14.431 3.688 1.00 0.00 O ATOM 647 CB THR B 49 5.465 15.629 1.595 1.00 0.00 C ATOM 648 OG1 THR B 49 6.678 15.111 2.137 1.00 0.00 O ATOM 649 CG2 THR B 49 5.090 16.768 2.545 1.00 0.00 C ATOM 0 H THR B 49 4.795 14.353 -0.393 1.00 0.00 H new ATOM 0 HA THR B 49 4.990 13.633 2.193 1.00 0.00 H new ATOM 0 HB THR B 49 5.496 16.005 0.572 1.00 0.00 H new ATOM 0 HG1 THR B 49 7.367 15.807 2.120 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.814 17.577 2.447 1.00 0.00 H new ATOM 0 HG22 THR B 49 4.096 17.138 2.295 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.093 16.401 3.572 1.00 0.00 H new ATOM 650 N ARG B 50 2.273 15.383 1.847 1.00 0.00 N ATOM 651 CA ARG B 50 1.027 15.736 2.506 1.00 0.00 C ATOM 652 C ARG B 50 0.075 14.538 2.519 1.00 0.00 C ATOM 653 O ARG B 50 -0.150 13.930 3.564 1.00 0.00 O ATOM 654 CB ARG B 50 0.346 16.912 1.804 1.00 0.00 C ATOM 655 CG ARG B 50 -0.154 17.943 2.819 1.00 0.00 C ATOM 656 CD ARG B 50 0.536 19.293 2.614 1.00 0.00 C ATOM 657 NE ARG B 50 -0.335 20.384 3.104 1.00 0.00 N ATOM 658 CZ ARG B 50 0.092 21.629 3.360 1.00 0.00 C ATOM 659 NH1 ARG B 50 1.381 21.947 3.175 1.00 0.00 N ATOM 660 NH2 ARG B 50 -0.770 22.555 3.801 1.00 0.00 N ATOM 0 H ARG B 50 2.328 15.653 0.865 1.00 0.00 H new ATOM 0 HA ARG B 50 1.265 16.027 3.529 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.047 17.384 1.116 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -0.491 16.549 1.207 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -1.233 18.063 2.719 1.00 0.00 H new ATOM 0 HG3 ARG B 50 0.035 17.584 3.831 1.00 0.00 H new ATOM 0 HD2 ARG B 50 1.488 19.309 3.145 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.759 19.441 1.557 1.00 0.00 H new ATOM 0 HE ARG B 50 -1.322 20.176 3.257 1.00 0.00 H new ATOM 0 HH11 ARG B 50 2.037 21.242 2.839 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.706 22.894 3.370 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.751 22.313 3.942 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -0.445 23.502 3.996 1.00 0.00 H new ATOM 661 N ILE B 51 -0.460 14.236 1.344 1.00 0.00 N ATOM 662 CA ILE B 51 -1.382 13.122 1.207 1.00 0.00 C ATOM 663 C ILE B 51 -0.760 11.870 1.830 1.00 0.00 C ATOM 664 O ILE B 51 -1.454 11.081 2.469 1.00 0.00 O ATOM 665 CB ILE B 51 -1.791 12.942 -0.256 1.00 0.00 C ATOM 666 CG1 ILE B 51 -2.898 11.894 -0.391 1.00 0.00 C ATOM 667 CG2 ILE B 51 -0.578 12.609 -1.127 1.00 0.00 C ATOM 668 CD1 ILE B 51 -4.270 12.505 -0.094 1.00 0.00 C ATOM 0 H ILE B 51 -0.272 14.743 0.479 1.00 0.00 H new ATOM 0 HA ILE B 51 -2.305 13.323 1.750 1.00 0.00 H new ATOM 0 HB ILE B 51 -2.197 13.887 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -2.891 11.480 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -2.708 11.068 0.294 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -0.896 12.486 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE B 51 0.148 13.419 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -0.121 11.684 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -5.039 11.740 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -4.281 12.897 0.923 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -4.468 13.315 -0.797 1.00 0.00 H new ATOM 669 N TYR B 52 0.541 11.728 1.622 1.00 0.00 N ATOM 670 CA TYR B 52 1.264 10.586 2.155 1.00 0.00 C ATOM 671 C TYR B 52 0.794 10.254 3.574 1.00 0.00 C ATOM 672 O TYR B 52 0.776 9.089 3.968 1.00 0.00 O ATOM 673 CB TYR B 52 2.735 11.003 2.202 1.00 0.00 C ATOM 674 CG TYR B 52 3.667 9.931 2.770 1.00 0.00 C ATOM 675 CD1 TYR B 52 3.724 9.717 4.132 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.452 9.178 1.920 1.00 0.00 C ATOM 677 CE1 TYR B 52 4.602 8.708 4.667 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.329 8.170 2.455 1.00 0.00 C ATOM 679 CZ TYR B 52 5.361 7.985 3.801 1.00 0.00 C ATOM 680 OH TYR B 52 6.190 7.032 4.307 1.00 0.00 O ATOM 0 H TYR B 52 1.113 12.385 1.092 1.00 0.00 H new ATOM 0 HA TYR B 52 1.099 9.704 1.536 1.00 0.00 H new ATOM 0 HB2 TYR B 52 3.062 11.258 1.194 1.00 0.00 H new ATOM 0 HB3 TYR B 52 2.827 11.906 2.805 1.00 0.00 H new ATOM 0 HD1 TYR B 52 3.110 10.306 4.797 1.00 0.00 H new ATOM 0 HD2 TYR B 52 4.408 9.345 0.854 1.00 0.00 H new ATOM 0 HE1 TYR B 52 4.656 8.530 5.731 1.00 0.00 H new ATOM 0 HE2 TYR B 52 5.948 7.574 1.801 1.00 0.00 H new ATOM 0 HH TYR B 52 6.658 6.583 3.573 1.00 0.00 H new ATOM 681 N GLN B 53 0.427 11.298 4.301 1.00 0.00 N ATOM 682 CA GLN B 53 -0.040 11.132 5.667 1.00 0.00 C ATOM 683 C GLN B 53 -0.844 9.837 5.799 1.00 0.00 C ATOM 684 O GLN B 53 -0.371 8.866 6.389 1.00 0.00 O ATOM 685 CB GLN B 53 -0.867 12.339 6.113 1.00 0.00 C ATOM 686 CG GLN B 53 -1.018 12.367 7.636 1.00 0.00 C ATOM 687 CD GLN B 53 -2.440 11.982 8.052 1.00 0.00 C ATOM 688 OE1 GLN B 53 -3.419 12.580 7.639 1.00 0.00 O ATOM 689 NE2 GLN B 53 -2.497 10.952 8.892 1.00 0.00 N ATOM 0 H GLN B 53 0.443 12.263 3.970 1.00 0.00 H new ATOM 0 HA GLN B 53 0.828 11.066 6.322 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.388 13.258 5.774 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -1.852 12.302 5.647 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.304 11.679 8.089 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.783 13.363 8.010 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.638 10.496 9.199 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.400 10.618 9.229 1.00 0.00 H new ATOM 690 N ILE B 54 -2.044 9.864 5.239 1.00 0.00 N ATOM 691 CA ILE B 54 -2.918 8.703 5.286 1.00 0.00 C ATOM 692 C ILE B 54 -2.495 7.707 4.206 1.00 0.00 C ATOM 693 O ILE B 54 -1.851 6.701 4.501 1.00 0.00 O ATOM 694 CB ILE B 54 -4.383 9.132 5.188 1.00 0.00 C ATOM 695 CG1 ILE B 54 -5.319 7.957 5.476 1.00 0.00 C ATOM 696 CG2 ILE B 54 -4.676 9.779 3.833 1.00 0.00 C ATOM 697 CD1 ILE B 54 -4.999 6.766 4.568 1.00 0.00 C ATOM 0 H ILE B 54 -2.432 10.671 4.750 1.00 0.00 H new ATOM 0 HA ILE B 54 -2.823 8.193 6.244 1.00 0.00 H new ATOM 0 HB ILE B 54 -4.569 9.887 5.952 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -5.224 7.659 6.520 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -6.353 8.266 5.326 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -5.724 10.075 3.790 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -4.045 10.659 3.706 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -4.467 9.065 3.036 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -5.679 5.944 4.793 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -5.119 7.061 3.525 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -3.972 6.444 4.738 1.00 0.00 H new ATOM 698 N ALA B 55 -2.873 8.021 2.975 1.00 0.00 N ATOM 699 CA ALA B 55 -2.541 7.165 1.849 1.00 0.00 C ATOM 700 C ALA B 55 -3.069 7.798 0.560 1.00 0.00 C ATOM 701 O ALA B 55 -3.118 9.022 0.440 1.00 0.00 O ATOM 702 CB ALA B 55 -3.111 5.765 2.086 1.00 0.00 C ATOM 0 H ALA B 55 -3.406 8.856 2.733 1.00 0.00 H new ATOM 0 HA ALA B 55 -1.460 7.065 1.749 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -2.862 5.123 1.241 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.683 5.348 2.998 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.194 5.826 2.188 1.00 0.00 H new ATOM 703 N LYS B 56 -3.450 6.938 -0.372 1.00 0.00 N ATOM 704 CA LYS B 56 -3.973 7.397 -1.647 1.00 0.00 C ATOM 705 C LYS B 56 -4.359 6.189 -2.501 1.00 0.00 C ATOM 706 O LYS B 56 -3.562 5.714 -3.309 1.00 0.00 O ATOM 707 CB LYS B 56 -2.975 8.337 -2.327 1.00 0.00 C ATOM 708 CG LYS B 56 -1.540 8.011 -1.906 1.00 0.00 C ATOM 709 CD LYS B 56 -0.954 9.131 -1.045 1.00 0.00 C ATOM 710 CE LYS B 56 0.492 9.429 -1.444 1.00 0.00 C ATOM 711 NZ LYS B 56 1.432 8.655 -0.602 1.00 0.00 N ATOM 0 H LYS B 56 -3.407 5.924 -0.269 1.00 0.00 H new ATOM 0 HA LYS B 56 -4.879 7.984 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -3.069 8.251 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -3.208 9.370 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -1.524 7.074 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -0.921 7.866 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -1.558 10.032 -1.153 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -0.994 8.845 0.006 1.00 0.00 H new ATOM 0 HE2 LYS B 56 0.645 9.179 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS B 56 0.693 10.495 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 2.119 9.302 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 0.902 8.157 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 1.936 7.962 -1.191 1.00 0.00 H new ATOM 712 N ASN B 57 -5.582 5.724 -2.294 1.00 0.00 N ATOM 713 CA ASN B 57 -6.084 4.580 -3.035 1.00 0.00 C ATOM 714 C ASN B 57 -5.537 4.621 -4.462 1.00 0.00 C ATOM 715 O ASN B 57 -4.906 3.668 -4.918 1.00 0.00 O ATOM 716 CB ASN B 57 -7.612 4.601 -3.114 1.00 0.00 C ATOM 717 CG ASN B 57 -8.224 3.555 -2.178 1.00 0.00 C ATOM 718 OD1 ASN B 57 -7.339 2.709 -1.660 1.00 0.00 O flip ATOM 719 ND2 ASN B 57 -9.421 3.520 -1.944 1.00 0.00 N flip ATOM 0 H ASN B 57 -6.241 6.119 -1.623 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.762 3.677 -2.517 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -7.980 5.592 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.929 4.408 -4.139 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -10.045 4.201 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -9.797 2.810 -1.316 1.00 0.00 H new ATOM 720 N LEU B 58 -5.798 5.736 -5.130 1.00 0.00 N ATOM 721 CA LEU B 58 -5.339 5.915 -6.497 1.00 0.00 C ATOM 722 C LEU B 58 -5.950 7.195 -7.071 1.00 0.00 C ATOM 723 O LEU B 58 -5.230 8.062 -7.565 1.00 0.00 O ATOM 724 CB LEU B 58 -5.634 4.665 -7.329 1.00 0.00 C ATOM 725 CG LEU B 58 -4.568 3.568 -7.293 1.00 0.00 C ATOM 726 CD1 LEU B 58 -4.303 3.015 -8.695 1.00 0.00 C ATOM 727 CD2 LEU B 58 -3.286 4.072 -6.625 1.00 0.00 C ATOM 0 H LEU B 58 -6.322 6.524 -4.749 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.256 6.038 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.577 4.239 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -5.779 4.969 -8.366 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.946 2.744 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -3.542 2.237 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -5.223 2.595 -9.100 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -3.955 3.819 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.544 3.273 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -2.894 4.922 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.505 4.380 -5.603 1.00 0.00 H new ATOM 728 N PRO B 59 -7.305 7.274 -6.987 1.00 0.00 N ATOM 729 CA PRO B 59 -8.081 6.202 -6.386 1.00 0.00 C ATOM 730 C PRO B 59 -8.176 5.001 -7.329 1.00 0.00 C ATOM 731 O PRO B 59 -7.963 5.133 -8.533 1.00 0.00 O ATOM 732 CB PRO B 59 -9.433 6.822 -6.077 1.00 0.00 C ATOM 733 CG PRO B 59 -9.523 8.075 -6.931 1.00 0.00 C ATOM 734 CD PRO B 59 -8.131 8.382 -7.457 1.00 0.00 C ATOM 0 HA PRO B 59 -7.622 5.806 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.242 6.131 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.518 7.065 -5.018 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.218 7.925 -7.757 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.902 8.911 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -8.124 8.447 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -7.766 9.337 -7.078 1.00 0.00 H new ATOM 735 N ASN B 60 -8.495 3.854 -6.745 1.00 0.00 N ATOM 736 CA ASN B 60 -8.620 2.630 -7.518 1.00 0.00 C ATOM 737 C ASN B 60 -8.511 1.427 -6.579 1.00 0.00 C ATOM 738 O ASN B 60 -9.489 0.712 -6.363 1.00 0.00 O ATOM 739 CB ASN B 60 -7.505 2.520 -8.559 1.00 0.00 C ATOM 740 CG ASN B 60 -7.997 2.967 -9.938 1.00 0.00 C ATOM 741 OD1 ASN B 60 -7.502 3.916 -10.524 1.00 0.00 O ATOM 742 ND2 ASN B 60 -8.995 2.233 -10.420 1.00 0.00 N ATOM 0 H ASN B 60 -8.670 3.747 -5.746 1.00 0.00 H new ATOM 0 HA ASN B 60 -9.585 2.647 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -6.657 3.133 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.151 1.490 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -9.393 2.451 -11.333 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -9.362 1.452 -9.877 1.00 0.00 H new ATOM 743 N VAL B 61 -7.313 1.239 -6.046 1.00 0.00 N ATOM 744 CA VAL B 61 -7.063 0.134 -5.135 1.00 0.00 C ATOM 745 C VAL B 61 -8.348 -0.676 -4.959 1.00 0.00 C ATOM 746 O VAL B 61 -8.752 -1.410 -5.859 1.00 0.00 O ATOM 747 CB VAL B 61 -6.503 0.663 -3.813 1.00 0.00 C ATOM 748 CG1 VAL B 61 -6.443 -0.447 -2.761 1.00 0.00 C ATOM 749 CG2 VAL B 61 -5.127 1.300 -4.016 1.00 0.00 C ATOM 0 H VAL B 61 -6.504 1.833 -6.227 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.309 -0.538 -5.546 1.00 0.00 H new ATOM 0 HB VAL B 61 -7.179 1.436 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -6.041 -0.045 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -7.446 -0.836 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -5.799 -1.251 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -4.752 1.668 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -4.437 0.556 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -5.210 2.130 -4.717 1.00 0.00 H new ATOM 750 N CYS B 62 -8.956 -0.514 -3.794 1.00 0.00 N ATOM 751 CA CYS B 62 -10.189 -1.221 -3.487 1.00 0.00 C ATOM 752 C CYS B 62 -11.263 -0.188 -3.145 1.00 0.00 C ATOM 753 O CYS B 62 -12.359 -0.546 -2.715 1.00 0.00 O ATOM 754 CB CYS B 62 -9.993 -2.236 -2.358 1.00 0.00 C ATOM 755 SG CYS B 62 -8.491 -1.979 -1.346 1.00 0.00 S ATOM 0 H CYS B 62 -8.618 0.097 -3.050 1.00 0.00 H new ATOM 0 HA CYS B 62 -10.506 -1.799 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -10.864 -2.203 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -9.956 -3.236 -2.790 1.00 0.00 H new ATOM 756 N ASN B 63 -10.913 1.074 -3.349 1.00 0.00 N ATOM 757 CA ASN B 63 -11.835 2.162 -3.068 1.00 0.00 C ATOM 758 C ASN B 63 -12.518 1.911 -1.722 1.00 0.00 C ATOM 759 O ASN B 63 -13.707 2.180 -1.566 1.00 0.00 O ATOM 760 CB ASN B 63 -12.922 2.253 -4.140 1.00 0.00 C ATOM 761 CG ASN B 63 -13.238 0.874 -4.721 1.00 0.00 C ATOM 762 OD1 ASN B 63 -14.227 0.242 -4.386 1.00 0.00 O ATOM 763 ND2 ASN B 63 -12.346 0.442 -5.607 1.00 0.00 N ATOM 0 H ASN B 63 -10.003 1.367 -3.706 1.00 0.00 H new ATOM 0 HA ASN B 63 -11.265 3.091 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -13.825 2.686 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -12.596 2.921 -4.937 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -12.468 -0.468 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -11.540 1.021 -5.843 1.00 0.00 H new ATOM 764 N MET B 64 -11.735 1.396 -0.785 1.00 0.00 N ATOM 765 CA MET B 64 -12.250 1.106 0.543 1.00 0.00 C ATOM 766 C MET B 64 -12.623 2.393 1.280 1.00 0.00 C ATOM 767 O MET B 64 -11.852 2.889 2.100 1.00 0.00 O ATOM 768 CB MET B 64 -11.191 0.346 1.345 1.00 0.00 C ATOM 769 CG MET B 64 -10.396 -0.602 0.445 1.00 0.00 C ATOM 770 SD MET B 64 -10.482 -2.266 1.086 1.00 0.00 S ATOM 771 CE MET B 64 -12.152 -2.693 0.622 1.00 0.00 C ATOM 0 H MET B 64 -10.749 1.172 -0.919 1.00 0.00 H new ATOM 0 HA MET B 64 -13.148 0.497 0.440 1.00 0.00 H new ATOM 0 HB2 MET B 64 -10.513 1.054 1.822 1.00 0.00 H new ATOM 0 HB3 MET B 64 -11.671 -0.221 2.142 1.00 0.00 H new ATOM 0 HG2 MET B 64 -10.794 -0.573 -0.569 1.00 0.00 H new ATOM 0 HG3 MET B 64 -9.357 -0.278 0.389 1.00 0.00 H new ATOM 0 HE1 MET B 64 -12.714 -2.981 1.510 1.00 0.00 H new ATOM 0 HE2 MET B 64 -12.630 -1.833 0.153 1.00 0.00 H new ATOM 0 HE3 MET B 64 -12.133 -3.526 -0.081 1.00 0.00 H new ATOM 772 N LYS B 65 -13.806 2.898 0.961 1.00 0.00 N ATOM 773 CA LYS B 65 -14.291 4.118 1.583 1.00 0.00 C ATOM 774 C LYS B 65 -14.685 3.826 3.031 1.00 0.00 C ATOM 775 O LYS B 65 -15.096 4.727 3.761 1.00 0.00 O ATOM 776 CB LYS B 65 -15.418 4.733 0.751 1.00 0.00 C ATOM 777 CG LYS B 65 -16.481 5.367 1.650 1.00 0.00 C ATOM 778 CD LYS B 65 -17.553 6.074 0.818 1.00 0.00 C ATOM 779 CE LYS B 65 -18.424 6.974 1.695 1.00 0.00 C ATOM 780 NZ LYS B 65 -19.393 6.165 2.467 1.00 0.00 N ATOM 0 H LYS B 65 -14.443 2.484 0.280 1.00 0.00 H new ATOM 0 HA LYS B 65 -13.502 4.869 1.613 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -15.009 5.487 0.079 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -15.875 3.965 0.128 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -16.944 4.599 2.269 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -16.011 6.081 2.327 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -17.079 6.670 0.038 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -18.177 5.333 0.318 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -17.795 7.546 2.377 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -18.956 7.693 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -19.976 6.792 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -20.005 5.638 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -18.880 5.496 3.075 1.00 0.00 H new ATOM 781 N GLN B 66 -14.548 2.562 3.405 1.00 0.00 N ATOM 782 CA GLN B 66 -14.885 2.139 4.754 1.00 0.00 C ATOM 783 C GLN B 66 -13.666 2.262 5.669 1.00 0.00 C ATOM 784 O GLN B 66 -13.657 3.078 6.590 1.00 0.00 O ATOM 785 CB GLN B 66 -15.433 0.710 4.759 1.00 0.00 C ATOM 786 CG GLN B 66 -16.953 0.704 4.586 1.00 0.00 C ATOM 787 CD GLN B 66 -17.627 -0.126 5.681 1.00 0.00 C ATOM 788 OE1 GLN B 66 -17.056 -1.051 6.233 1.00 0.00 O ATOM 789 NE2 GLN B 66 -18.869 0.257 5.962 1.00 0.00 N ATOM 0 H GLN B 66 -14.208 1.817 2.797 1.00 0.00 H new ATOM 0 HA GLN B 66 -15.668 2.795 5.135 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -14.970 0.137 3.956 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -15.168 0.219 5.695 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -17.330 1.726 4.616 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -17.210 0.298 3.607 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -19.287 1.041 5.461 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -19.404 -0.233 6.679 1.00 0.00 H new ATOM 790 N ILE B 67 -12.666 1.441 5.384 1.00 0.00 N ATOM 791 CA ILE B 67 -11.444 1.448 6.171 1.00 0.00 C ATOM 792 C ILE B 67 -10.567 2.622 5.732 1.00 0.00 C ATOM 793 O ILE B 67 -10.592 3.686 6.348 1.00 0.00 O ATOM 794 CB ILE B 67 -10.744 0.091 6.085 1.00 0.00 C ATOM 795 CG1 ILE B 67 -11.033 -0.591 4.746 1.00 0.00 C ATOM 796 CG2 ILE B 67 -11.119 -0.796 7.274 1.00 0.00 C ATOM 797 CD1 ILE B 67 -12.310 -1.430 4.823 1.00 0.00 C ATOM 0 H ILE B 67 -12.677 0.766 4.619 1.00 0.00 H new ATOM 0 HA ILE B 67 -11.671 1.597 7.227 1.00 0.00 H new ATOM 0 HB ILE B 67 -9.668 0.258 6.135 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -11.135 0.162 3.965 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -10.192 -1.227 4.468 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -10.608 -1.755 7.188 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -10.820 -0.307 8.201 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -12.197 -0.959 7.281 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -12.493 -1.904 3.859 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -12.196 -2.197 5.589 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -13.153 -0.787 5.077 1.00 0.00 H new ATOM 798 N GLY B 68 -9.811 2.389 4.668 1.00 0.00 N ATOM 799 CA GLY B 68 -8.929 3.414 4.139 1.00 0.00 C ATOM 800 C GLY B 68 -8.051 2.856 3.017 1.00 0.00 C ATOM 801 O GLY B 68 -7.984 1.644 2.821 1.00 0.00 O ATOM 0 H GLY B 68 -9.792 1.505 4.159 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -9.520 4.248 3.762 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -8.299 3.805 4.938 1.00 0.00 H new ATOM 802 N THR B 69 -7.399 3.767 2.309 1.00 0.00 N ATOM 803 CA THR B 69 -6.528 3.381 1.212 1.00 0.00 C ATOM 804 C THR B 69 -5.158 2.957 1.742 1.00 0.00 C ATOM 805 O THR B 69 -4.978 2.793 2.948 1.00 0.00 O ATOM 806 CB THR B 69 -6.464 4.549 0.226 1.00 0.00 C ATOM 807 OG1 THR B 69 -5.307 4.275 -0.561 1.00 0.00 O ATOM 808 CG2 THR B 69 -6.141 5.877 0.913 1.00 0.00 C ATOM 0 H THR B 69 -7.457 4.772 2.474 1.00 0.00 H new ATOM 0 HA THR B 69 -6.919 2.512 0.683 1.00 0.00 H new ATOM 0 HB THR B 69 -7.415 4.634 -0.299 1.00 0.00 H new ATOM 0 HG1 THR B 69 -4.513 4.635 -0.112 1.00 0.00 H new ATOM 0 HG21 THR B 69 -6.107 6.673 0.169 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.911 6.102 1.650 1.00 0.00 H new ATOM 0 HG23 THR B 69 -5.174 5.804 1.410 1.00 0.00 H new ATOM 809 N CYS B 70 -4.226 2.789 0.816 1.00 0.00 N ATOM 810 CA CYS B 70 -2.877 2.387 1.175 1.00 0.00 C ATOM 811 C CYS B 70 -2.086 2.154 -0.114 1.00 0.00 C ATOM 812 O CYS B 70 -2.402 1.249 -0.885 1.00 0.00 O ATOM 813 CB CYS B 70 -2.876 1.151 2.076 1.00 0.00 C ATOM 814 SG CYS B 70 -2.812 1.509 3.871 1.00 0.00 S ATOM 0 H CYS B 70 -4.379 2.924 -0.183 1.00 0.00 H new ATOM 0 HA CYS B 70 -2.401 3.178 1.754 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -3.772 0.566 1.868 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -2.021 0.528 1.813 1.00 0.00 H new