USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.189) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.644 X(o=0.55,f=0.78) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.964 X(o=0.55,f=0.96) USER MOD Set 2.2: A 29 SER OG : rot 30:sc= 1.52 USER MOD Single : A 1 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 1 GLN N :NH3+ -151:sc= -3.6 (180deg=-6.88!) USER MOD Single : A 3 GLN : amide:sc= -0.986 K(o=-0.99,f=-1.5) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.867 K(o=-0.87,f=-2!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 11 GLN : amide:sc= 0.491 K(o=0.49,f=-0.028) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -3.48 F(o=-4.6!,f=-3.5) USER MOD Single : A 19 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.8!) USER MOD Single : A 20 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.47) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.28 F(o=-2.4!,f=-1.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.865 K(o=-0.87,f=-2.6!) USER MOD Single : A 39 GLN : amide:sc=-0.00149 X(o=-0.0015,f=-0.0048) USER MOD Single : A 40 GLN : amide:sc= -0.0041 X(o=-0.0041,f=-0.31) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= 0.201 F(o=-0.46,f=0.2) USER MOD Single : A 50 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.014) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.207 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 57 GLN : amide:sc= -3.8 K(o=-3.8,f=-4.4!) USER MOD Single : A 63 THR OG1 : rot 120:sc= -0.934 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0152 K(o=-0.015,f=-0.75) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 81 GLN : amide:sc= -1 K(o=-1,f=-6!) USER MOD Single : A 82 SER OG : rot -42:sc= 0.0645 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.3!) USER MOD Single : A 94 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.3) USER MOD Single : A 97 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 98 MET CE :methyl -135:sc= -0.652 (180deg=-5.56!) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.415) USER MOD Single : A 100 GLN : amide:sc=-0.000802 K(o=-0.0008,f=-0.82) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00488 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -3.834 -17.727 1.866 1.00 0.00 N ATOM 2 CA GLN A 1 -4.393 -16.702 0.951 1.00 0.00 C ATOM 3 C GLN A 1 -5.188 -15.686 1.755 1.00 0.00 C ATOM 4 O GLN A 1 -4.914 -14.510 1.579 1.00 0.00 O ATOM 5 CB GLN A 1 -5.201 -17.347 -0.194 1.00 0.00 C ATOM 6 CG GLN A 1 -6.376 -16.508 -0.747 1.00 0.00 C ATOM 7 CD GLN A 1 -7.695 -16.702 -0.007 1.00 0.00 C ATOM 8 OE1 GLN A 1 -8.275 -15.792 0.551 1.00 0.00 O ATOM 9 NE2 GLN A 1 -8.147 -17.927 0.100 1.00 0.00 N ATOM 0 H1 GLN A 1 -2.950 -18.102 1.468 1.00 0.00 H new ATOM 0 H2 GLN A 1 -3.641 -17.297 2.793 1.00 0.00 H new ATOM 0 H3 GLN A 1 -4.519 -18.501 1.980 1.00 0.00 H new ATOM 0 HA GLN A 1 -3.580 -16.167 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -4.519 -17.567 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -5.595 -18.301 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -6.103 -15.453 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -6.523 -16.760 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -7.661 -18.692 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -8.984 -18.115 0.651 1.00 0.00 H new ATOM 20 N PRO A 2 -6.152 -16.125 2.597 1.00 0.00 N ATOM 21 CA PRO A 2 -7.042 -15.205 3.292 1.00 0.00 C ATOM 22 C PRO A 2 -6.293 -14.465 4.397 1.00 0.00 C ATOM 23 O PRO A 2 -5.055 -14.421 4.443 1.00 0.00 O ATOM 24 CB PRO A 2 -8.228 -16.079 3.786 1.00 0.00 C ATOM 25 CG PRO A 2 -7.783 -17.530 3.704 1.00 0.00 C ATOM 26 CD PRO A 2 -6.483 -17.508 2.941 1.00 0.00 C ATOM 0 HA PRO A 2 -7.423 -14.406 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.499 -15.817 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.111 -15.912 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.648 -17.956 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.528 -18.141 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.687 -17.947 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.568 -18.110 2.036 1.00 0.00 H new ATOM 34 N GLN A 3 -7.058 -13.987 5.376 1.00 0.00 N ATOM 35 CA GLN A 3 -6.521 -13.377 6.575 1.00 0.00 C ATOM 36 C GLN A 3 -5.396 -14.165 7.218 1.00 0.00 C ATOM 37 O GLN A 3 -4.573 -13.597 7.903 1.00 0.00 O ATOM 38 CB GLN A 3 -7.575 -13.209 7.661 1.00 0.00 C ATOM 39 CG GLN A 3 -7.311 -11.941 8.508 1.00 0.00 C ATOM 40 CD GLN A 3 -7.695 -10.649 7.792 1.00 0.00 C ATOM 41 OE1 GLN A 3 -8.516 -10.626 6.899 1.00 0.00 O ATOM 42 NE2 GLN A 3 -7.070 -9.539 8.114 1.00 0.00 N ATOM 0 H GLN A 3 -8.077 -14.016 5.352 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.150 -12.417 6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.563 -13.146 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.578 -14.087 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.871 -12.012 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.254 -11.902 8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.377 -9.543 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.278 -8.674 7.615 1.00 0.00 H new ATOM 51 N LYS A 4 -5.346 -15.476 6.975 1.00 0.00 N ATOM 52 CA LYS A 4 -4.212 -16.351 7.299 1.00 0.00 C ATOM 53 C LYS A 4 -2.856 -15.653 7.172 1.00 0.00 C ATOM 54 O LYS A 4 -2.027 -15.814 8.054 1.00 0.00 O ATOM 55 CB LYS A 4 -4.223 -17.619 6.423 1.00 0.00 C ATOM 56 CG LYS A 4 -3.809 -18.853 7.246 1.00 0.00 C ATOM 57 CD LYS A 4 -2.495 -19.460 6.757 1.00 0.00 C ATOM 58 CE LYS A 4 -2.269 -20.829 7.402 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.904 -21.337 7.101 1.00 0.00 N ATOM 0 H LYS A 4 -6.117 -15.976 6.533 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.340 -16.626 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.219 -17.771 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.542 -17.492 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.709 -18.571 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.597 -19.605 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.515 -19.561 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.667 -18.795 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.404 -20.754 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.014 -21.536 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.773 -22.267 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.787 -21.429 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.196 -20.671 7.472 1.00 0.00 H new ATOM 73 N CYS A 5 -2.645 -14.911 6.083 1.00 0.00 N ATOM 74 CA CYS A 5 -1.476 -14.038 5.931 1.00 0.00 C ATOM 75 C CYS A 5 -1.662 -12.668 6.526 1.00 0.00 C ATOM 76 O CYS A 5 -0.835 -12.251 7.297 1.00 0.00 O ATOM 77 CB CYS A 5 -1.145 -13.824 4.471 1.00 0.00 C ATOM 78 SG CYS A 5 0.638 -14.066 4.225 1.00 0.00 S ATOM 0 H CYS A 5 -3.277 -14.897 5.283 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.678 -14.557 6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.708 -14.522 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.434 -12.819 4.163 1.00 0.00 H new ATOM 83 N GLN A 6 -2.758 -11.965 6.238 1.00 0.00 N ATOM 84 CA GLN A 6 -3.054 -10.658 6.876 1.00 0.00 C ATOM 85 C GLN A 6 -2.854 -10.648 8.404 1.00 0.00 C ATOM 86 O GLN A 6 -2.548 -9.622 8.982 1.00 0.00 O ATOM 87 CB GLN A 6 -4.496 -10.278 6.609 1.00 0.00 C ATOM 88 CG GLN A 6 -4.902 -10.332 5.127 1.00 0.00 C ATOM 89 CD GLN A 6 -6.197 -9.593 4.861 1.00 0.00 C ATOM 90 OE1 GLN A 6 -7.165 -10.142 4.378 1.00 0.00 O ATOM 91 NE2 GLN A 6 -6.241 -8.311 5.133 1.00 0.00 N ATOM 0 H GLN A 6 -3.464 -12.270 5.567 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.348 -9.952 6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.146 -10.945 7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.669 -9.269 6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.108 -9.900 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.009 -11.372 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.428 -7.848 5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.088 -7.777 4.938 1.00 0.00 H new ATOM 100 N ARG A 7 -3.021 -11.785 9.080 1.00 0.00 N ATOM 101 CA ARG A 7 -2.674 -12.016 10.484 1.00 0.00 C ATOM 102 C ARG A 7 -1.182 -11.953 10.717 1.00 0.00 C ATOM 103 O ARG A 7 -0.799 -11.169 11.555 1.00 0.00 O ATOM 104 CB ARG A 7 -3.193 -13.385 10.941 1.00 0.00 C ATOM 105 CG ARG A 7 -4.090 -13.158 12.142 1.00 0.00 C ATOM 106 CD ARG A 7 -4.713 -14.482 12.589 1.00 0.00 C ATOM 107 NE ARG A 7 -5.847 -14.243 13.498 1.00 0.00 N ATOM 108 CZ ARG A 7 -5.769 -13.790 14.735 1.00 0.00 C ATOM 109 NH1 ARG A 7 -4.625 -13.535 15.299 1.00 0.00 N ATOM 110 NH2 ARG A 7 -6.850 -13.575 15.423 1.00 0.00 N ATOM 0 H ARG A 7 -3.423 -12.613 8.641 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.145 -11.223 11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.745 -13.873 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.363 -14.042 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.514 -12.724 12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.875 -12.444 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.051 -15.043 11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.962 -15.093 13.090 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.779 -14.447 13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.758 -13.684 14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.595 -13.186 16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.764 -13.756 15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.785 -13.225 16.379 1.00 0.00 H new ATOM 124 N GLU A 8 -0.381 -12.742 10.004 1.00 0.00 N ATOM 125 CA GLU A 8 1.096 -12.711 10.068 1.00 0.00 C ATOM 126 C GLU A 8 1.688 -11.390 9.572 1.00 0.00 C ATOM 127 O GLU A 8 2.617 -10.846 10.155 1.00 0.00 O ATOM 128 CB GLU A 8 1.657 -13.885 9.242 1.00 0.00 C ATOM 129 CG GLU A 8 2.326 -14.888 10.184 1.00 0.00 C ATOM 130 CD GLU A 8 3.818 -14.613 10.353 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.538 -14.899 9.371 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.202 -14.230 11.478 1.00 0.00 O ATOM 0 H GLU A 8 -0.738 -13.438 9.350 1.00 0.00 H new ATOM 0 HA GLU A 8 1.383 -12.804 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.855 -14.370 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.377 -13.519 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.839 -14.850 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.186 -15.897 9.797 1.00 0.00 H new ATOM 139 N PHE A 9 1.040 -10.777 8.594 1.00 0.00 N ATOM 140 CA PHE A 9 1.436 -9.472 8.096 1.00 0.00 C ATOM 141 C PHE A 9 1.186 -8.406 9.140 1.00 0.00 C ATOM 142 O PHE A 9 1.960 -7.479 9.340 1.00 0.00 O ATOM 143 CB PHE A 9 0.625 -9.196 6.836 1.00 0.00 C ATOM 144 CG PHE A 9 0.237 -7.742 6.599 1.00 0.00 C ATOM 145 CD1 PHE A 9 -0.800 -7.145 7.339 1.00 0.00 C ATOM 146 CD2 PHE A 9 0.848 -7.003 5.583 1.00 0.00 C ATOM 147 CE1 PHE A 9 -1.080 -5.786 7.232 1.00 0.00 C ATOM 148 CE2 PHE A 9 0.435 -5.677 5.358 1.00 0.00 C ATOM 149 CZ PHE A 9 -0.447 -5.043 6.241 1.00 0.00 C ATOM 0 H PHE A 9 0.225 -11.171 8.124 1.00 0.00 H new ATOM 0 HA PHE A 9 2.502 -9.458 7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.197 -9.544 5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.286 -9.793 6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.392 -7.755 8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.627 -7.444 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.778 -5.315 7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.802 -5.142 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.635 -3.983 6.153 1.00 0.00 H new ATOM 159 N GLN A 10 0.050 -8.511 9.837 1.00 0.00 N ATOM 160 CA GLN A 10 -0.322 -7.515 10.826 1.00 0.00 C ATOM 161 C GLN A 10 0.119 -7.944 12.220 1.00 0.00 C ATOM 162 O GLN A 10 -0.162 -7.222 13.181 1.00 0.00 O ATOM 163 CB GLN A 10 -1.816 -7.159 10.777 1.00 0.00 C ATOM 164 CG GLN A 10 -2.036 -5.646 10.714 1.00 0.00 C ATOM 165 CD GLN A 10 -2.940 -5.146 11.811 1.00 0.00 C ATOM 166 OE1 GLN A 10 -3.993 -5.673 12.113 1.00 0.00 O ATOM 167 NE2 GLN A 10 -2.577 -4.036 12.397 1.00 0.00 N ATOM 0 H GLN A 10 -0.619 -9.274 9.730 1.00 0.00 H new ATOM 0 HA GLN A 10 0.210 -6.598 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.274 -7.630 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.315 -7.563 11.658 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.073 -5.139 10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.466 -5.385 9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.694 -3.592 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.177 -3.614 13.106 1.00 0.00 H new ATOM 176 N GLN A 11 0.817 -9.076 12.335 1.00 0.00 N ATOM 177 CA GLN A 11 1.247 -9.640 13.586 1.00 0.00 C ATOM 178 C GLN A 11 2.276 -8.667 14.155 1.00 0.00 C ATOM 179 O GLN A 11 2.044 -8.039 15.185 1.00 0.00 O ATOM 180 CB GLN A 11 1.749 -11.075 13.344 1.00 0.00 C ATOM 181 CG GLN A 11 2.781 -11.473 14.374 1.00 0.00 C ATOM 182 CD GLN A 11 2.691 -12.919 14.775 1.00 0.00 C ATOM 183 OE1 GLN A 11 2.015 -13.283 15.732 1.00 0.00 O ATOM 184 NE2 GLN A 11 3.360 -13.778 14.048 1.00 0.00 N ATOM 0 H GLN A 11 1.100 -9.631 11.527 1.00 0.00 H new ATOM 0 HA GLN A 11 0.454 -9.750 14.326 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.909 -11.768 13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.180 -11.149 12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.776 -11.274 13.977 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.660 -10.849 15.260 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.916 -13.453 13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.326 -14.772 14.273 1.00 0.00 H new ATOM 193 N GLU A 12 3.372 -8.469 13.423 1.00 0.00 N ATOM 194 CA GLU A 12 4.514 -7.688 13.907 1.00 0.00 C ATOM 195 C GLU A 12 5.459 -7.292 12.772 1.00 0.00 C ATOM 196 O GLU A 12 6.608 -6.919 12.989 1.00 0.00 O ATOM 197 CB GLU A 12 5.239 -8.429 15.039 1.00 0.00 C ATOM 198 CG GLU A 12 5.743 -9.834 14.673 1.00 0.00 C ATOM 199 CD GLU A 12 7.258 -9.984 14.850 1.00 0.00 C ATOM 200 OE1 GLU A 12 7.705 -9.892 16.011 1.00 0.00 O ATOM 201 OE2 GLU A 12 7.960 -10.172 13.826 1.00 0.00 O ATOM 0 H GLU A 12 3.495 -8.843 12.482 1.00 0.00 H new ATOM 0 HA GLU A 12 4.130 -6.755 14.320 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.088 -7.827 15.362 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.564 -8.511 15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.234 -10.571 15.294 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.479 -10.052 13.638 1.00 0.00 H new ATOM 208 N GLN A 13 4.932 -7.283 11.547 1.00 0.00 N ATOM 209 CA GLN A 13 5.695 -6.984 10.347 1.00 0.00 C ATOM 210 C GLN A 13 4.780 -6.389 9.286 1.00 0.00 C ATOM 211 O GLN A 13 4.699 -6.812 8.157 1.00 0.00 O ATOM 212 CB GLN A 13 6.454 -8.244 9.876 1.00 0.00 C ATOM 213 CG GLN A 13 7.864 -8.305 10.466 1.00 0.00 C ATOM 214 CD GLN A 13 8.861 -9.057 9.590 1.00 0.00 C ATOM 215 OE1 GLN A 13 8.594 -9.822 8.683 1.00 0.00 O ATOM 216 NE2 GLN A 13 10.124 -8.807 9.807 1.00 0.00 N ATOM 0 H GLN A 13 3.949 -7.487 11.364 1.00 0.00 H new ATOM 0 HA GLN A 13 6.454 -6.230 10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.898 -9.135 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.514 -8.248 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.227 -7.289 10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.819 -8.784 11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.397 -8.172 10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.838 -9.247 9.227 1.00 0.00 H new ATOM 225 N HIS A 14 4.059 -5.336 9.658 1.00 0.00 N ATOM 226 CA HIS A 14 3.161 -4.678 8.707 1.00 0.00 C ATOM 227 C HIS A 14 4.009 -3.988 7.623 1.00 0.00 C ATOM 228 O HIS A 14 5.231 -4.114 7.536 1.00 0.00 O ATOM 229 CB HIS A 14 2.240 -3.695 9.438 1.00 0.00 C ATOM 230 CG HIS A 14 1.836 -4.031 10.859 1.00 0.00 C ATOM 231 ND1 HIS A 14 1.930 -5.232 11.507 1.00 0.00 N flip ATOM 232 CD2 HIS A 14 1.320 -3.123 11.754 1.00 0.00 C flip ATOM 233 CE1 HIS A 14 1.460 -5.065 12.789 1.00 0.00 C flip ATOM 234 NE2 HIS A 14 1.093 -3.774 12.920 1.00 0.00 N flip ATOM 0 H HIS A 14 4.075 -4.924 10.591 1.00 0.00 H new ATOM 0 HA HIS A 14 2.516 -5.411 8.223 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.731 -2.722 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.330 -3.586 8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.130 -2.077 11.561 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.397 -5.828 13.551 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.705 -3.354 13.765 1.00 0.00 H new ATOM 243 N LEU A 15 3.357 -3.140 6.838 1.00 0.00 N ATOM 244 CA LEU A 15 4.039 -2.512 5.716 1.00 0.00 C ATOM 245 C LEU A 15 4.274 -1.060 6.074 1.00 0.00 C ATOM 246 O LEU A 15 3.739 -0.523 7.051 1.00 0.00 O ATOM 247 CB LEU A 15 3.210 -2.729 4.458 1.00 0.00 C ATOM 248 CG LEU A 15 3.268 -4.140 3.838 1.00 0.00 C ATOM 249 CD1 LEU A 15 4.405 -4.243 2.834 1.00 0.00 C ATOM 250 CD2 LEU A 15 3.438 -5.299 4.827 1.00 0.00 C ATOM 0 H LEU A 15 2.379 -2.876 6.953 1.00 0.00 H new ATOM 0 HA LEU A 15 5.016 -2.950 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.170 -2.499 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.535 -2.011 3.705 1.00 0.00 H new ATOM 0 HG LEU A 15 2.287 -4.249 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.426 -5.247 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.253 -3.515 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.352 -4.041 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.466 -6.242 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.369 -5.172 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.600 -5.308 5.524 1.00 0.00 H new ATOM 262 N ARG A 16 5.104 -0.405 5.273 1.00 0.00 N ATOM 263 CA ARG A 16 5.446 0.995 5.514 1.00 0.00 C ATOM 264 C ARG A 16 5.730 1.648 4.227 1.00 0.00 C ATOM 265 O ARG A 16 4.791 2.237 3.734 1.00 0.00 O ATOM 266 CB ARG A 16 6.626 1.141 6.447 1.00 0.00 C ATOM 267 CG ARG A 16 6.172 1.081 7.900 1.00 0.00 C ATOM 268 CD ARG A 16 7.394 1.136 8.780 1.00 0.00 C ATOM 269 NE ARG A 16 6.990 1.171 10.191 1.00 0.00 N ATOM 270 CZ ARG A 16 7.727 0.772 11.206 1.00 0.00 C ATOM 271 NH1 ARG A 16 8.921 0.296 11.027 1.00 0.00 N ATOM 272 NH2 ARG A 16 7.267 0.834 12.422 1.00 0.00 N ATOM 0 H ARG A 16 5.552 -0.816 4.454 1.00 0.00 H new ATOM 0 HA ARG A 16 4.596 1.475 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.349 0.349 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.131 2.088 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.505 1.913 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.612 0.165 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.026 0.268 8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.987 2.019 8.540 1.00 0.00 H new ATOM 0 HE ARG A 16 6.061 1.535 10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.306 0.225 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.475 -0.007 11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.328 1.194 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.845 0.523 13.202 1.00 0.00 H new ATOM 286 N ALA A 17 6.930 1.503 3.676 1.00 0.00 N ATOM 287 CA ALA A 17 7.287 2.020 2.367 1.00 0.00 C ATOM 288 C ALA A 17 6.126 1.852 1.357 1.00 0.00 C ATOM 289 O ALA A 17 5.887 2.737 0.549 1.00 0.00 O ATOM 290 CB ALA A 17 8.603 1.340 1.891 1.00 0.00 C ATOM 0 H ALA A 17 7.695 1.012 4.139 1.00 0.00 H new ATOM 0 HA ALA A 17 7.466 3.093 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.876 1.724 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.402 1.557 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.454 0.262 1.830 1.00 0.00 H new ATOM 296 N CYS A 18 5.313 0.793 1.441 1.00 0.00 N ATOM 297 CA CYS A 18 4.119 0.613 0.608 1.00 0.00 C ATOM 298 C CYS A 18 2.966 1.518 1.019 1.00 0.00 C ATOM 299 O CYS A 18 2.427 2.281 0.228 1.00 0.00 O ATOM 300 CB CYS A 18 3.703 -0.842 0.657 1.00 0.00 C ATOM 301 SG CYS A 18 4.436 -1.875 -0.633 1.00 0.00 S ATOM 0 H CYS A 18 5.468 0.028 2.097 1.00 0.00 H new ATOM 0 HA CYS A 18 4.375 0.899 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.974 -1.252 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.617 -0.899 0.578 1.00 0.00 H new ATOM 306 N GLN A 19 2.619 1.511 2.290 1.00 0.00 N ATOM 307 CA GLN A 19 1.666 2.438 2.887 1.00 0.00 C ATOM 308 C GLN A 19 2.316 3.741 3.416 1.00 0.00 C ATOM 309 O GLN A 19 1.959 4.268 4.469 1.00 0.00 O ATOM 310 CB GLN A 19 0.947 1.667 3.976 1.00 0.00 C ATOM 311 CG GLN A 19 1.866 1.061 5.050 1.00 0.00 C ATOM 312 CD GLN A 19 1.122 0.750 6.357 1.00 0.00 C ATOM 313 OE1 GLN A 19 1.013 -0.365 6.849 1.00 0.00 O ATOM 314 NE2 GLN A 19 0.520 1.744 6.960 1.00 0.00 N ATOM 0 H GLN A 19 3.001 0.843 2.959 1.00 0.00 H new ATOM 0 HA GLN A 19 0.968 2.792 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.233 2.332 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.372 0.864 3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.314 0.145 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.682 1.753 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.588 2.688 6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.017 1.575 7.810 1.00 0.00 H new ATOM 323 N GLN A 20 3.322 4.260 2.722 1.00 0.00 N ATOM 324 CA GLN A 20 4.044 5.472 3.127 1.00 0.00 C ATOM 325 C GLN A 20 4.455 6.248 1.913 1.00 0.00 C ATOM 326 O GLN A 20 4.346 7.470 1.925 1.00 0.00 O ATOM 327 CB GLN A 20 5.317 5.166 3.916 1.00 0.00 C ATOM 328 CG GLN A 20 5.012 4.826 5.390 1.00 0.00 C ATOM 329 CD GLN A 20 6.136 5.202 6.334 1.00 0.00 C ATOM 330 OE1 GLN A 20 7.295 5.318 5.991 1.00 0.00 O ATOM 331 NE2 GLN A 20 5.803 5.441 7.575 1.00 0.00 N ATOM 0 H GLN A 20 3.667 3.852 1.853 1.00 0.00 H new ATOM 0 HA GLN A 20 3.360 6.037 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.840 4.330 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.987 6.025 3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.102 5.343 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.816 3.757 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.831 5.345 7.870 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.515 5.723 8.249 1.00 0.00 H new ATOM 340 N TRP A 21 4.841 5.557 0.836 1.00 0.00 N ATOM 341 CA TRP A 21 5.083 6.244 -0.425 1.00 0.00 C ATOM 342 C TRP A 21 3.866 7.000 -0.928 1.00 0.00 C ATOM 343 O TRP A 21 3.990 8.066 -1.514 1.00 0.00 O ATOM 344 CB TRP A 21 5.528 5.262 -1.487 1.00 0.00 C ATOM 345 CG TRP A 21 4.462 4.490 -2.183 1.00 0.00 C ATOM 346 CD1 TRP A 21 4.049 3.247 -1.897 1.00 0.00 C ATOM 347 CD2 TRP A 21 3.624 4.922 -3.284 1.00 0.00 C ATOM 348 NE1 TRP A 21 2.996 2.889 -2.698 1.00 0.00 N ATOM 349 CE2 TRP A 21 2.697 3.890 -3.590 1.00 0.00 C ATOM 350 CE3 TRP A 21 3.533 6.121 -4.010 1.00 0.00 C ATOM 351 CZ2 TRP A 21 1.736 4.054 -4.591 1.00 0.00 C ATOM 352 CZ3 TRP A 21 2.597 6.287 -5.034 1.00 0.00 C ATOM 353 CH2 TRP A 21 1.733 5.238 -5.346 1.00 0.00 C ATOM 0 H TRP A 21 4.988 4.548 0.815 1.00 0.00 H new ATOM 0 HA TRP A 21 5.870 6.972 -0.230 1.00 0.00 H new ATOM 0 HB2 TRP A 21 6.095 5.810 -2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 21 6.214 4.552 -1.026 1.00 0.00 H new ATOM 0 HD1 TRP A 21 4.486 2.614 -1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.501 1.999 -2.640 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.203 6.934 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 1.006 3.281 -4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 2.543 7.218 -5.578 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.053 5.337 -6.179 1.00 0.00 H new ATOM 364 N ILE A 22 2.673 6.460 -0.668 1.00 0.00 N ATOM 365 CA ILE A 22 1.391 7.100 -0.995 1.00 0.00 C ATOM 366 C ILE A 22 1.234 8.454 -0.289 1.00 0.00 C ATOM 367 O ILE A 22 0.420 9.280 -0.693 1.00 0.00 O ATOM 368 CB ILE A 22 0.204 6.215 -0.563 1.00 0.00 C ATOM 369 CG1 ILE A 22 0.447 4.740 -0.946 1.00 0.00 C ATOM 370 CG2 ILE A 22 -1.077 6.770 -1.204 1.00 0.00 C ATOM 371 CD1 ILE A 22 -0.797 3.854 -1.059 1.00 0.00 C ATOM 0 H ILE A 22 2.566 5.551 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 22 1.391 7.243 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 22 0.097 6.239 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.971 4.717 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.114 4.300 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.927 6.155 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.237 7.795 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.977 6.754 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.499 2.842 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.317 3.833 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.462 4.256 -1.824 1.00 0.00 H new ATOM 383 N ARG A 23 2.026 8.691 0.766 1.00 0.00 N ATOM 384 CA ARG A 23 2.219 9.998 1.414 1.00 0.00 C ATOM 385 C ARG A 23 3.418 10.815 0.915 1.00 0.00 C ATOM 386 O ARG A 23 3.374 12.038 0.886 1.00 0.00 O ATOM 387 CB ARG A 23 2.391 9.803 2.911 1.00 0.00 C ATOM 388 CG ARG A 23 1.070 10.099 3.610 1.00 0.00 C ATOM 389 CD ARG A 23 0.289 8.791 3.881 1.00 0.00 C ATOM 390 NE ARG A 23 -0.268 8.768 5.243 1.00 0.00 N ATOM 391 CZ ARG A 23 0.433 8.845 6.366 1.00 0.00 C ATOM 392 NH1 ARG A 23 1.735 8.919 6.368 1.00 0.00 N ATOM 393 NH2 ARG A 23 -0.144 8.877 7.527 1.00 0.00 N ATOM 0 H ARG A 23 2.571 7.951 1.209 1.00 0.00 H new ATOM 0 HA ARG A 23 1.324 10.565 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.707 8.782 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.172 10.463 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.259 10.617 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.468 10.767 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.518 8.691 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.950 7.936 3.743 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.281 8.686 5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.247 8.919 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.241 8.977 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.161 8.843 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.420 8.936 8.375 1.00 0.00 H new ATOM 407 N GLN A 24 4.477 10.157 0.468 1.00 0.00 N ATOM 408 CA GLN A 24 5.604 10.823 -0.185 1.00 0.00 C ATOM 409 C GLN A 24 5.319 11.239 -1.629 1.00 0.00 C ATOM 410 O GLN A 24 6.061 12.026 -2.197 1.00 0.00 O ATOM 411 CB GLN A 24 6.810 9.893 -0.161 1.00 0.00 C ATOM 412 CG GLN A 24 7.487 9.913 1.215 1.00 0.00 C ATOM 413 CD GLN A 24 8.943 10.329 1.093 1.00 0.00 C ATOM 414 OE1 GLN A 24 9.856 9.528 1.138 1.00 0.00 O ATOM 415 NE2 GLN A 24 9.210 11.607 0.940 1.00 0.00 N ATOM 0 H GLN A 24 4.583 9.146 0.546 1.00 0.00 H new ATOM 0 HA GLN A 24 5.795 11.740 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.496 8.877 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.524 10.196 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.961 10.603 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.423 8.925 1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.450 12.286 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.178 11.920 0.860 1.00 0.00 H new ATOM 424 N GLN A 25 4.238 10.740 -2.231 1.00 0.00 N ATOM 425 CA GLN A 25 3.815 11.162 -3.576 1.00 0.00 C ATOM 426 C GLN A 25 3.279 12.605 -3.580 1.00 0.00 C ATOM 427 O GLN A 25 3.086 13.194 -4.640 1.00 0.00 O ATOM 428 CB GLN A 25 2.777 10.168 -4.131 1.00 0.00 C ATOM 429 CG GLN A 25 1.453 10.192 -3.376 1.00 0.00 C ATOM 430 CD GLN A 25 0.293 10.858 -4.113 1.00 0.00 C ATOM 431 OE1 GLN A 25 -0.862 10.273 -4.020 1.00 0.00 O flip ATOM 432 NE2 GLN A 25 0.313 11.902 -4.731 1.00 0.00 N flip ATOM 0 H GLN A 25 3.632 10.037 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 25 4.687 11.155 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.592 10.395 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.192 9.161 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.170 9.166 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.604 10.708 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.189 12.413 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.546 12.269 -5.140 1.00 0.00 H new ATOM 441 N LEU A 26 3.020 13.171 -2.394 1.00 0.00 N ATOM 442 CA LEU A 26 2.497 14.517 -2.206 1.00 0.00 C ATOM 443 C LEU A 26 3.556 15.399 -1.548 1.00 0.00 C ATOM 444 O LEU A 26 4.717 15.038 -1.412 1.00 0.00 O ATOM 445 CB LEU A 26 1.140 14.520 -1.452 1.00 0.00 C ATOM 446 CG LEU A 26 0.318 13.217 -1.475 1.00 0.00 C ATOM 447 CD1 LEU A 26 0.618 12.368 -0.246 1.00 0.00 C ATOM 448 CD2 LEU A 26 -1.190 13.380 -1.612 1.00 0.00 C ATOM 0 H LEU A 26 3.177 12.682 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 26 2.275 14.945 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.333 14.779 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.523 15.316 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 26 0.643 12.722 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.027 11.453 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.678 12.115 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.364 12.928 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.663 12.398 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.571 13.962 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.417 13.896 -2.545 1.00 0.00 H new ATOM 460 N ALA A 27 3.128 16.561 -1.072 1.00 0.00 N ATOM 461 CA ALA A 27 3.999 17.429 -0.288 1.00 0.00 C ATOM 462 C ALA A 27 4.074 17.040 1.200 1.00 0.00 C ATOM 463 O ALA A 27 4.901 17.576 1.940 1.00 0.00 O ATOM 464 CB ALA A 27 3.454 18.838 -0.439 1.00 0.00 C ATOM 0 H ALA A 27 2.186 16.924 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 27 5.020 17.339 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.073 19.531 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.467 19.122 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.431 18.874 -0.066 1.00 0.00 H new ATOM 470 N GLY A 28 3.208 16.121 1.660 1.00 0.00 N ATOM 471 CA GLY A 28 3.177 15.591 3.025 1.00 0.00 C ATOM 472 C GLY A 28 4.356 14.659 3.296 1.00 0.00 C ATOM 473 O GLY A 28 4.164 13.485 3.608 1.00 0.00 O ATOM 0 H GLY A 28 2.485 15.715 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.195 16.417 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.243 15.052 3.185 1.00 0.00 H new ATOM 477 N SER A 29 5.568 15.200 3.190 1.00 0.00 N ATOM 478 CA SER A 29 6.834 14.524 3.447 1.00 0.00 C ATOM 479 C SER A 29 7.938 15.554 3.737 1.00 0.00 C ATOM 480 O SER A 29 8.828 15.750 2.919 1.00 0.00 O ATOM 481 CB SER A 29 7.130 13.555 2.288 1.00 0.00 C ATOM 482 OG SER A 29 7.751 14.117 1.155 1.00 0.00 O ATOM 0 H SER A 29 5.698 16.172 2.908 1.00 0.00 H new ATOM 0 HA SER A 29 6.783 13.911 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.764 12.753 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.191 13.098 1.974 1.00 0.00 H new ATOM 0 HG SER A 29 8.307 14.876 1.429 1.00 0.00 H new ATOM 488 N PRO A 30 7.863 16.294 4.850 1.00 0.00 N ATOM 489 CA PRO A 30 8.911 17.235 5.200 1.00 0.00 C ATOM 490 C PRO A 30 10.153 16.505 5.712 1.00 0.00 C ATOM 491 O PRO A 30 10.134 15.305 5.985 1.00 0.00 O ATOM 492 CB PRO A 30 8.311 18.112 6.295 1.00 0.00 C ATOM 493 CG PRO A 30 7.143 17.313 6.872 1.00 0.00 C ATOM 494 CD PRO A 30 6.858 16.187 5.886 1.00 0.00 C ATOM 0 HA PRO A 30 9.233 17.820 4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.049 18.337 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.971 19.065 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.394 16.914 7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.266 17.947 7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.909 15.216 6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.856 16.280 5.467 1.00 0.00 H new ATOM 502 N PHE A 31 11.219 17.272 5.924 1.00 0.00 N ATOM 503 CA PHE A 31 12.536 16.765 6.309 1.00 0.00 C ATOM 504 C PHE A 31 13.238 17.753 7.250 1.00 0.00 C ATOM 505 O PHE A 31 14.386 18.113 7.031 1.00 0.00 O ATOM 506 CB PHE A 31 13.385 16.501 5.045 1.00 0.00 C ATOM 507 CG PHE A 31 12.670 15.855 3.871 1.00 0.00 C ATOM 508 CD1 PHE A 31 12.186 14.538 3.980 1.00 0.00 C ATOM 509 CD2 PHE A 31 12.417 16.612 2.708 1.00 0.00 C ATOM 510 CE1 PHE A 31 11.455 13.966 2.929 1.00 0.00 C ATOM 511 CE2 PHE A 31 11.700 16.040 1.648 1.00 0.00 C ATOM 512 CZ PHE A 31 11.232 14.715 1.757 1.00 0.00 C ATOM 0 H PHE A 31 11.192 18.287 5.831 1.00 0.00 H new ATOM 0 HA PHE A 31 12.414 15.824 6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 31 13.802 17.451 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.225 15.865 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.378 13.966 4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.774 17.629 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.067 12.962 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.507 16.612 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.696 14.269 0.932 1.00 0.00 H new ATOM 522 N SER A 32 12.520 18.262 8.257 1.00 0.00 N ATOM 523 CA SER A 32 13.087 19.234 9.211 1.00 0.00 C ATOM 524 C SER A 32 14.262 18.621 9.975 1.00 0.00 C ATOM 525 O SER A 32 15.404 19.013 9.776 1.00 0.00 O ATOM 526 CB SER A 32 11.999 19.720 10.166 1.00 0.00 C ATOM 527 OG SER A 32 12.549 20.677 11.033 1.00 0.00 O ATOM 0 H SER A 32 11.545 18.020 8.436 1.00 0.00 H new ATOM 0 HA SER A 32 13.468 20.092 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.170 20.152 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.596 18.883 10.736 1.00 0.00 H new ATOM 0 HG SER A 32 11.857 20.996 11.649 1.00 0.00 H new ATOM 533 N GLU A 33 13.978 17.611 10.794 1.00 0.00 N ATOM 534 CA GLU A 33 14.984 16.876 11.570 1.00 0.00 C ATOM 535 C GLU A 33 14.836 15.366 11.372 1.00 0.00 C ATOM 536 O GLU A 33 15.811 14.657 11.145 1.00 0.00 O ATOM 537 CB GLU A 33 14.837 17.249 13.049 1.00 0.00 C ATOM 538 CG GLU A 33 16.072 16.795 13.835 1.00 0.00 C ATOM 539 CD GLU A 33 15.896 17.021 15.344 1.00 0.00 C ATOM 540 OE1 GLU A 33 15.469 18.137 15.719 1.00 0.00 O ATOM 541 OE2 GLU A 33 16.167 16.068 16.110 1.00 0.00 O ATOM 0 H GLU A 33 13.028 17.272 10.942 1.00 0.00 H new ATOM 0 HA GLU A 33 15.980 17.151 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.710 18.327 13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.942 16.783 13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.257 15.738 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.948 17.341 13.484 1.00 0.00 H new ATOM 548 N ASN A 34 13.597 14.864 11.394 1.00 0.00 N ATOM 549 CA ASN A 34 13.295 13.454 11.195 1.00 0.00 C ATOM 550 C ASN A 34 12.877 13.249 9.743 1.00 0.00 C ATOM 551 O ASN A 34 11.743 13.530 9.345 1.00 0.00 O ATOM 552 CB ASN A 34 12.210 12.998 12.178 1.00 0.00 C ATOM 553 CG ASN A 34 12.403 11.533 12.501 1.00 0.00 C ATOM 554 OD1 ASN A 34 13.235 11.128 13.287 1.00 0.00 O ATOM 555 ND2 ASN A 34 11.656 10.669 11.865 1.00 0.00 N ATOM 0 H ASN A 34 12.769 15.438 11.553 1.00 0.00 H new ATOM 0 HA ASN A 34 14.176 12.843 11.394 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.259 13.592 13.091 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.222 13.159 11.746 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.777 9.670 12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.953 10.994 11.202 1.00 0.00 H new ATOM 562 N GLN A 35 13.797 12.792 8.916 1.00 0.00 N ATOM 563 CA GLN A 35 13.463 12.492 7.532 1.00 0.00 C ATOM 564 C GLN A 35 12.621 11.207 7.449 1.00 0.00 C ATOM 565 O GLN A 35 13.016 10.181 7.988 1.00 0.00 O ATOM 566 CB GLN A 35 14.756 12.377 6.744 1.00 0.00 C ATOM 567 CG GLN A 35 15.817 11.408 7.327 1.00 0.00 C ATOM 568 CD GLN A 35 16.871 12.108 8.166 1.00 0.00 C ATOM 569 OE1 GLN A 35 16.949 13.314 8.276 1.00 0.00 O ATOM 570 NE2 GLN A 35 17.717 11.349 8.809 1.00 0.00 N ATOM 0 H GLN A 35 14.770 12.621 9.171 1.00 0.00 H new ATOM 0 HA GLN A 35 12.858 13.291 7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.515 12.055 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.201 13.369 6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.316 10.656 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.306 10.880 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.659 10.334 8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.435 11.771 9.397 1.00 0.00 H new ATOM 579 N TRP A 36 11.479 11.250 6.756 1.00 0.00 N ATOM 580 CA TRP A 36 10.585 10.089 6.597 1.00 0.00 C ATOM 581 C TRP A 36 11.342 8.815 6.199 1.00 0.00 C ATOM 582 O TRP A 36 11.469 7.853 6.955 1.00 0.00 O ATOM 583 CB TRP A 36 9.492 10.424 5.568 1.00 0.00 C ATOM 584 CG TRP A 36 8.206 9.725 5.824 1.00 0.00 C ATOM 585 CD1 TRP A 36 7.731 8.641 5.170 1.00 0.00 C ATOM 586 CD2 TRP A 36 7.228 10.053 6.860 1.00 0.00 C ATOM 587 NE1 TRP A 36 6.505 8.317 5.715 1.00 0.00 N ATOM 588 CE2 TRP A 36 6.151 9.132 6.770 1.00 0.00 C ATOM 589 CE3 TRP A 36 7.155 11.031 7.872 1.00 0.00 C ATOM 590 CZ2 TRP A 36 5.056 9.176 7.652 1.00 0.00 C ATOM 591 CZ3 TRP A 36 6.057 11.109 8.746 1.00 0.00 C ATOM 592 CH2 TRP A 36 5.006 10.181 8.640 1.00 0.00 C ATOM 0 H TRP A 36 11.144 12.091 6.287 1.00 0.00 H new ATOM 0 HA TRP A 36 10.126 9.882 7.564 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.319 11.500 5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 36 9.848 10.161 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.224 8.120 4.363 1.00 0.00 H new ATOM 0 HE1 TRP A 36 5.921 7.554 5.373 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.964 11.739 7.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.262 8.448 7.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.021 11.882 9.499 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.163 10.238 9.313 1.00 0.00 H new ATOM 603 N GLY A 37 11.912 8.851 5.001 1.00 0.00 N ATOM 604 CA GLY A 37 12.831 7.849 4.495 1.00 0.00 C ATOM 605 C GLY A 37 13.341 8.283 3.132 1.00 0.00 C ATOM 606 O GLY A 37 13.019 7.628 2.170 1.00 0.00 O ATOM 0 H GLY A 37 11.739 9.605 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.665 7.722 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.330 6.884 4.419 1.00 0.00 H new ATOM 610 N PRO A 38 14.102 9.378 2.991 1.00 0.00 N ATOM 611 CA PRO A 38 14.633 9.818 1.709 1.00 0.00 C ATOM 612 C PRO A 38 15.816 8.959 1.310 1.00 0.00 C ATOM 613 O PRO A 38 15.729 8.172 0.395 1.00 0.00 O ATOM 614 CB PRO A 38 15.063 11.275 1.892 1.00 0.00 C ATOM 615 CG PRO A 38 15.195 11.458 3.399 1.00 0.00 C ATOM 616 CD PRO A 38 14.512 10.254 4.052 1.00 0.00 C ATOM 0 HA PRO A 38 13.887 9.729 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.007 11.475 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.326 11.960 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.244 11.513 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.726 12.389 3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.196 9.744 4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.653 10.572 4.644 1.00 0.00 H new ATOM 624 N GLN A 39 16.928 9.055 2.034 1.00 0.00 N ATOM 625 CA GLN A 39 18.119 8.247 1.728 1.00 0.00 C ATOM 626 C GLN A 39 17.997 6.815 2.275 1.00 0.00 C ATOM 627 O GLN A 39 18.854 5.972 2.038 1.00 0.00 O ATOM 628 CB GLN A 39 19.358 8.921 2.313 1.00 0.00 C ATOM 629 CG GLN A 39 19.399 10.430 2.001 1.00 0.00 C ATOM 630 CD GLN A 39 20.645 10.843 1.249 1.00 0.00 C ATOM 631 OE1 GLN A 39 20.992 10.331 0.202 1.00 0.00 O ATOM 632 NE2 GLN A 39 21.327 11.840 1.746 1.00 0.00 N ATOM 0 H GLN A 39 17.035 9.679 2.834 1.00 0.00 H new ATOM 0 HA GLN A 39 18.208 8.179 0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 39 19.374 8.774 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 39 20.253 8.444 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 39 18.521 10.698 1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 39 19.342 10.990 2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.036 12.269 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 39 22.151 12.189 1.256 1.00 0.00 H new ATOM 641 N GLN A 40 16.907 6.549 3.000 1.00 0.00 N ATOM 642 CA GLN A 40 16.556 5.234 3.528 1.00 0.00 C ATOM 643 C GLN A 40 15.421 4.566 2.750 1.00 0.00 C ATOM 644 O GLN A 40 15.322 3.352 2.745 1.00 0.00 O ATOM 645 CB GLN A 40 16.149 5.392 5.000 1.00 0.00 C ATOM 646 CG GLN A 40 16.820 4.306 5.851 1.00 0.00 C ATOM 647 CD GLN A 40 16.212 2.913 5.680 1.00 0.00 C ATOM 648 OE1 GLN A 40 16.593 2.092 4.871 1.00 0.00 O ATOM 649 NE2 GLN A 40 15.265 2.580 6.517 1.00 0.00 N ATOM 0 H GLN A 40 16.225 7.268 3.242 1.00 0.00 H new ATOM 0 HA GLN A 40 17.429 4.589 3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 40 16.438 6.379 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.065 5.322 5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.879 4.262 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.757 4.592 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.931 3.256 7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.860 1.645 6.483 1.00 0.00 H new ATOM 658 N GLY A 41 14.546 5.342 2.103 1.00 0.00 N ATOM 659 CA GLY A 41 13.463 4.809 1.266 1.00 0.00 C ATOM 660 C GLY A 41 13.183 5.704 0.060 1.00 0.00 C ATOM 661 O GLY A 41 12.049 6.138 -0.113 1.00 0.00 O ATOM 0 H GLY A 41 14.568 6.361 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.728 3.809 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.557 4.711 1.864 1.00 0.00 H new ATOM 665 N PRO A 42 14.187 5.989 -0.787 1.00 0.00 N ATOM 666 CA PRO A 42 14.009 6.892 -1.915 1.00 0.00 C ATOM 667 C PRO A 42 13.152 6.233 -2.978 1.00 0.00 C ATOM 668 O PRO A 42 12.056 6.680 -3.322 1.00 0.00 O ATOM 669 CB PRO A 42 15.417 7.180 -2.449 1.00 0.00 C ATOM 670 CG PRO A 42 16.326 6.092 -1.869 1.00 0.00 C ATOM 671 CD PRO A 42 15.521 5.397 -0.778 1.00 0.00 C ATOM 0 HA PRO A 42 13.504 7.813 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 42 15.432 7.159 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 42 15.753 8.171 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 42 16.626 5.384 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.239 6.525 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.468 4.324 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.995 5.530 0.195 1.00 0.00 H new ATOM 679 N SER A 43 13.643 5.119 -3.502 1.00 0.00 N ATOM 680 CA SER A 43 12.914 4.389 -4.514 1.00 0.00 C ATOM 681 C SER A 43 11.880 3.532 -3.791 1.00 0.00 C ATOM 682 O SER A 43 11.974 2.319 -3.798 1.00 0.00 O ATOM 683 CB SER A 43 13.893 3.546 -5.318 1.00 0.00 C ATOM 684 OG SER A 43 14.980 4.290 -5.804 1.00 0.00 O ATOM 0 H SER A 43 14.539 4.707 -3.241 1.00 0.00 H new ATOM 0 HA SER A 43 12.405 5.051 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.265 2.734 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.368 3.088 -6.156 1.00 0.00 H new ATOM 0 HG SER A 43 15.578 3.702 -6.311 1.00 0.00 H new ATOM 690 N LEU A 44 10.881 4.122 -3.126 1.00 0.00 N ATOM 691 CA LEU A 44 9.830 3.385 -2.443 1.00 0.00 C ATOM 692 C LEU A 44 9.156 2.436 -3.379 1.00 0.00 C ATOM 693 O LEU A 44 9.040 1.276 -3.088 1.00 0.00 O ATOM 694 CB LEU A 44 8.763 4.347 -1.975 1.00 0.00 C ATOM 695 CG LEU A 44 9.079 4.983 -0.611 1.00 0.00 C ATOM 696 CD1 LEU A 44 8.591 6.429 -0.518 1.00 0.00 C ATOM 697 CD2 LEU A 44 8.435 4.186 0.495 1.00 0.00 C ATOM 0 H LEU A 44 10.785 5.135 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 44 10.289 2.848 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.643 5.136 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.811 3.821 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 44 10.164 4.979 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.838 6.834 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.076 7.027 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.511 6.458 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.665 4.645 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.355 4.170 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.819 3.166 0.479 1.00 0.00 H new ATOM 709 N ARG A 45 8.712 2.840 -4.553 1.00 0.00 N ATOM 710 CA ARG A 45 8.233 1.824 -5.520 1.00 0.00 C ATOM 711 C ARG A 45 9.186 0.693 -5.867 1.00 0.00 C ATOM 712 O ARG A 45 8.731 -0.348 -6.302 1.00 0.00 O ATOM 713 CB ARG A 45 7.884 2.507 -6.834 1.00 0.00 C ATOM 714 CG ARG A 45 6.785 3.550 -6.667 1.00 0.00 C ATOM 715 CD ARG A 45 5.575 2.955 -5.925 1.00 0.00 C ATOM 716 NE ARG A 45 4.318 3.512 -6.431 1.00 0.00 N ATOM 717 CZ ARG A 45 3.756 3.189 -7.581 1.00 0.00 C ATOM 718 NH1 ARG A 45 4.276 2.298 -8.381 1.00 0.00 N ATOM 719 NH2 ARG A 45 2.654 3.768 -7.943 1.00 0.00 N ATOM 0 H ARG A 45 8.666 3.809 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 45 7.388 1.367 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.776 2.983 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.564 1.757 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.171 4.406 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.473 3.916 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.569 1.871 -6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.663 3.159 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 45 3.841 4.202 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.144 1.827 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.815 2.073 -9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.225 4.470 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.216 3.522 -8.831 1.00 0.00 H new ATOM 733 N GLU A 46 10.462 0.841 -5.588 1.00 0.00 N ATOM 734 CA GLU A 46 11.463 -0.224 -5.721 1.00 0.00 C ATOM 735 C GLU A 46 11.773 -0.915 -4.392 1.00 0.00 C ATOM 736 O GLU A 46 12.119 -2.087 -4.399 1.00 0.00 O ATOM 737 CB GLU A 46 12.745 0.376 -6.281 1.00 0.00 C ATOM 738 CG GLU A 46 12.458 1.176 -7.570 1.00 0.00 C ATOM 739 CD GLU A 46 13.745 1.608 -8.281 1.00 0.00 C ATOM 740 OE1 GLU A 46 14.759 0.889 -8.155 1.00 0.00 O ATOM 741 OE2 GLU A 46 13.711 2.700 -8.886 1.00 0.00 O ATOM 0 H GLU A 46 10.854 1.721 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 46 11.052 -0.980 -6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.202 1.028 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.462 -0.418 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.857 0.568 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.867 2.058 -7.324 1.00 0.00 H new ATOM 748 N GLN A 47 11.580 -0.237 -3.258 1.00 0.00 N ATOM 749 CA GLN A 47 11.797 -0.742 -1.909 1.00 0.00 C ATOM 750 C GLN A 47 10.542 -1.352 -1.349 1.00 0.00 C ATOM 751 O GLN A 47 10.604 -2.472 -0.909 1.00 0.00 O ATOM 752 CB GLN A 47 12.217 0.377 -0.961 1.00 0.00 C ATOM 753 CG GLN A 47 13.676 0.162 -0.582 1.00 0.00 C ATOM 754 CD GLN A 47 14.052 1.056 0.566 1.00 0.00 C ATOM 755 OE1 GLN A 47 13.335 0.993 1.672 1.00 0.00 O flip ATOM 756 NE2 GLN A 47 14.985 1.820 0.443 1.00 0.00 N flip ATOM 0 H GLN A 47 11.251 0.729 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 47 12.584 -1.492 -1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.088 1.348 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.589 0.375 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.838 -0.881 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.316 0.370 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.516 1.840 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.239 2.443 1.210 1.00 0.00 H new ATOM 765 N CYS A 48 9.400 -0.666 -1.396 1.00 0.00 N ATOM 766 CA CYS A 48 8.064 -1.214 -1.126 1.00 0.00 C ATOM 767 C CYS A 48 7.750 -2.403 -1.998 1.00 0.00 C ATOM 768 O CYS A 48 7.415 -3.451 -1.487 1.00 0.00 O ATOM 769 CB CYS A 48 6.931 -0.195 -1.318 1.00 0.00 C ATOM 770 SG CYS A 48 5.301 -0.666 -2.035 1.00 0.00 S ATOM 0 H CYS A 48 9.376 0.326 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 48 8.107 -1.507 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.729 0.238 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.330 0.603 -1.944 1.00 0.00 H new ATOM 775 N CYS A 49 7.894 -2.298 -3.320 1.00 0.00 N ATOM 776 CA CYS A 49 7.716 -3.499 -4.160 1.00 0.00 C ATOM 777 C CYS A 49 8.706 -4.641 -3.836 1.00 0.00 C ATOM 778 O CYS A 49 8.530 -5.766 -4.291 1.00 0.00 O ATOM 779 CB CYS A 49 7.859 -3.156 -5.620 1.00 0.00 C ATOM 780 SG CYS A 49 6.428 -2.207 -6.192 1.00 0.00 S ATOM 0 H CYS A 49 8.123 -1.439 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 49 6.710 -3.854 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.771 -2.580 -5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.955 -4.070 -6.207 1.00 0.00 H new ATOM 785 N ASN A 50 9.733 -4.372 -3.025 1.00 0.00 N ATOM 786 CA ASN A 50 10.595 -5.386 -2.412 1.00 0.00 C ATOM 787 C ASN A 50 10.212 -5.778 -0.983 1.00 0.00 C ATOM 788 O ASN A 50 10.402 -6.917 -0.573 1.00 0.00 O ATOM 789 CB ASN A 50 12.024 -4.832 -2.438 1.00 0.00 C ATOM 790 CG ASN A 50 12.966 -5.848 -3.012 1.00 0.00 C ATOM 791 OD1 ASN A 50 13.952 -6.245 -2.423 1.00 0.00 O ATOM 792 ND2 ASN A 50 12.669 -6.298 -4.208 1.00 0.00 N ATOM 0 H ASN A 50 9.994 -3.419 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 50 10.487 -6.306 -2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.057 -3.919 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.337 -4.566 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.269 -6.991 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.838 -5.955 -4.690 1.00 0.00 H new ATOM 799 N GLU A 51 9.613 -4.855 -0.241 1.00 0.00 N ATOM 800 CA GLU A 51 9.178 -5.005 1.150 1.00 0.00 C ATOM 801 C GLU A 51 7.733 -5.535 1.223 1.00 0.00 C ATOM 802 O GLU A 51 7.222 -5.873 2.288 1.00 0.00 O ATOM 803 CB GLU A 51 9.298 -3.657 1.898 1.00 0.00 C ATOM 804 CG GLU A 51 7.936 -2.973 2.093 1.00 0.00 C ATOM 805 CD GLU A 51 7.968 -1.643 2.786 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.963 -1.285 3.441 1.00 0.00 O ATOM 807 OE2 GLU A 51 6.877 -1.011 2.743 1.00 0.00 O ATOM 0 H GLU A 51 9.404 -3.928 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 51 9.829 -5.733 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.760 -3.824 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.959 -2.993 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.473 -2.841 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.292 -3.643 2.663 1.00 0.00 H new ATOM 814 N LEU A 52 7.050 -5.611 0.083 1.00 0.00 N ATOM 815 CA LEU A 52 5.712 -6.175 -0.030 1.00 0.00 C ATOM 816 C LEU A 52 5.811 -7.619 -0.529 1.00 0.00 C ATOM 817 O LEU A 52 4.933 -8.428 -0.279 1.00 0.00 O ATOM 818 CB LEU A 52 4.862 -5.212 -0.894 1.00 0.00 C ATOM 819 CG LEU A 52 4.564 -5.546 -2.361 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.746 -6.079 -3.172 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.436 -6.557 -2.329 1.00 0.00 C ATOM 0 H LEU A 52 7.421 -5.274 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 52 5.197 -6.254 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.903 -5.088 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.358 -4.242 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 52 4.306 -4.622 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.424 -6.282 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.544 -5.336 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.114 -6.999 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.172 -6.840 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.756 -7.441 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.568 -6.118 -1.838 1.00 0.00 H new ATOM 833 N TYR A 53 6.913 -7.952 -1.214 1.00 0.00 N ATOM 834 CA TYR A 53 7.152 -9.245 -1.865 1.00 0.00 C ATOM 835 C TYR A 53 7.997 -10.157 -0.966 1.00 0.00 C ATOM 836 O TYR A 53 8.541 -11.171 -1.405 1.00 0.00 O ATOM 837 CB TYR A 53 7.842 -9.004 -3.223 1.00 0.00 C ATOM 838 CG TYR A 53 7.189 -9.692 -4.395 1.00 0.00 C ATOM 839 CD1 TYR A 53 7.064 -11.090 -4.395 1.00 0.00 C ATOM 840 CD2 TYR A 53 6.773 -8.947 -5.514 1.00 0.00 C ATOM 841 CE1 TYR A 53 6.534 -11.740 -5.516 1.00 0.00 C ATOM 842 CE2 TYR A 53 6.221 -9.601 -6.632 1.00 0.00 C ATOM 843 CZ TYR A 53 6.064 -11.007 -6.610 1.00 0.00 C ATOM 844 OH TYR A 53 5.461 -11.688 -7.624 1.00 0.00 O ATOM 0 H TYR A 53 7.691 -7.303 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 53 6.201 -9.750 -2.035 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.867 -7.932 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.877 -9.339 -3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.375 -11.662 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.877 -7.872 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.488 -12.819 -5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.920 -9.034 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 53 5.025 -12.489 -7.266 1.00 0.00 H new ATOM 854 N GLN A 54 8.157 -9.742 0.286 1.00 0.00 N ATOM 855 CA GLN A 54 8.942 -10.451 1.284 1.00 0.00 C ATOM 856 C GLN A 54 8.068 -11.416 2.048 1.00 0.00 C ATOM 857 O GLN A 54 8.496 -12.529 2.323 1.00 0.00 O ATOM 858 CB GLN A 54 9.612 -9.481 2.257 1.00 0.00 C ATOM 859 CG GLN A 54 8.662 -8.391 2.745 1.00 0.00 C ATOM 860 CD GLN A 54 9.177 -7.607 3.944 1.00 0.00 C ATOM 861 OE1 GLN A 54 10.369 -7.425 4.155 1.00 0.00 O ATOM 862 NE2 GLN A 54 8.285 -7.097 4.759 1.00 0.00 N ATOM 0 H GLN A 54 7.734 -8.884 0.641 1.00 0.00 H new ATOM 0 HA GLN A 54 9.722 -11.004 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.993 -10.037 3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.471 -9.019 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.471 -7.697 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.707 -8.847 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.291 -7.247 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.585 -6.550 5.566 1.00 0.00 H new ATOM 871 N GLU A 55 6.827 -11.021 2.326 1.00 0.00 N ATOM 872 CA GLU A 55 5.879 -11.867 3.035 1.00 0.00 C ATOM 873 C GLU A 55 5.153 -12.855 2.125 1.00 0.00 C ATOM 874 O GLU A 55 4.175 -13.481 2.530 1.00 0.00 O ATOM 875 CB GLU A 55 4.906 -10.989 3.786 1.00 0.00 C ATOM 876 CG GLU A 55 5.545 -10.163 4.884 1.00 0.00 C ATOM 877 CD GLU A 55 4.506 -9.885 5.974 1.00 0.00 C ATOM 878 OE1 GLU A 55 3.759 -10.781 6.400 1.00 0.00 O ATOM 879 OE2 GLU A 55 4.397 -8.670 6.284 1.00 0.00 O ATOM 0 H GLU A 55 6.455 -10.108 2.066 1.00 0.00 H new ATOM 0 HA GLU A 55 6.440 -12.484 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.416 -10.319 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.128 -11.616 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.398 -10.694 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.923 -9.225 4.477 1.00 0.00 H new ATOM 886 N ASP A 56 5.659 -13.001 0.897 1.00 0.00 N ATOM 887 CA ASP A 56 5.124 -13.833 -0.172 1.00 0.00 C ATOM 888 C ASP A 56 3.885 -13.155 -0.775 1.00 0.00 C ATOM 889 O ASP A 56 3.488 -12.050 -0.415 1.00 0.00 O ATOM 890 CB ASP A 56 4.727 -15.200 0.408 1.00 0.00 C ATOM 891 CG ASP A 56 4.677 -16.324 -0.608 1.00 0.00 C ATOM 892 OD1 ASP A 56 5.371 -16.237 -1.648 1.00 0.00 O ATOM 893 OD2 ASP A 56 3.800 -17.187 -0.421 1.00 0.00 O ATOM 0 H ASP A 56 6.505 -12.509 0.610 1.00 0.00 H new ATOM 0 HA ASP A 56 5.878 -13.966 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.435 -15.467 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.748 -15.110 0.880 1.00 0.00 H new ATOM 898 N GLN A 57 3.185 -13.850 -1.668 1.00 0.00 N ATOM 899 CA GLN A 57 1.991 -13.327 -2.350 1.00 0.00 C ATOM 900 C GLN A 57 0.754 -13.400 -1.484 1.00 0.00 C ATOM 901 O GLN A 57 -0.213 -12.638 -1.606 1.00 0.00 O ATOM 902 CB GLN A 57 1.770 -14.160 -3.605 1.00 0.00 C ATOM 903 CG GLN A 57 2.663 -13.755 -4.776 1.00 0.00 C ATOM 904 CD GLN A 57 3.969 -13.116 -4.308 1.00 0.00 C ATOM 905 OE1 GLN A 57 4.103 -11.932 -4.064 1.00 0.00 O ATOM 906 NE2 GLN A 57 4.950 -13.933 -4.015 1.00 0.00 N ATOM 0 H GLN A 57 3.428 -14.801 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 57 2.159 -12.276 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.948 -15.209 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.727 -14.074 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.886 -14.633 -5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.126 -13.055 -5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.859 -14.930 -4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.805 -13.572 -3.591 1.00 0.00 H new ATOM 915 N VAL A 58 0.781 -14.359 -0.572 1.00 0.00 N ATOM 916 CA VAL A 58 -0.273 -14.487 0.416 1.00 0.00 C ATOM 917 C VAL A 58 -0.355 -13.242 1.284 1.00 0.00 C ATOM 918 O VAL A 58 -1.450 -12.932 1.755 1.00 0.00 O ATOM 919 CB VAL A 58 -0.054 -15.757 1.244 1.00 0.00 C ATOM 920 CG1 VAL A 58 -1.385 -16.209 1.799 1.00 0.00 C ATOM 921 CG2 VAL A 58 0.517 -16.905 0.393 1.00 0.00 C ATOM 0 H VAL A 58 1.520 -15.058 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.234 -14.579 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 58 0.657 -15.522 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.244 -17.113 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.802 -15.424 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.070 -16.417 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.657 -17.787 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.177 -17.139 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.476 -16.603 -0.029 1.00 0.00 H new ATOM 931 N CYS A 59 0.750 -12.497 1.381 1.00 0.00 N ATOM 932 CA CYS A 59 0.868 -11.246 2.103 1.00 0.00 C ATOM 933 C CYS A 59 1.120 -10.055 1.168 1.00 0.00 C ATOM 934 O CYS A 59 1.675 -9.018 1.524 1.00 0.00 O ATOM 935 CB CYS A 59 1.903 -11.364 3.172 1.00 0.00 C ATOM 936 SG CYS A 59 1.466 -12.273 4.702 1.00 0.00 S ATOM 0 H CYS A 59 1.624 -12.772 0.933 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.088 -11.041 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.778 -11.846 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.203 -10.356 3.458 1.00 0.00 H new ATOM 941 N VAL A 60 0.538 -10.144 -0.023 1.00 0.00 N ATOM 942 CA VAL A 60 0.549 -9.064 -1.013 1.00 0.00 C ATOM 943 C VAL A 60 -0.815 -8.412 -1.161 1.00 0.00 C ATOM 944 O VAL A 60 -0.944 -7.267 -1.585 1.00 0.00 O ATOM 945 CB VAL A 60 1.059 -9.643 -2.344 1.00 0.00 C ATOM 946 CG1 VAL A 60 0.396 -8.920 -3.515 1.00 0.00 C ATOM 947 CG2 VAL A 60 2.587 -9.610 -2.353 1.00 0.00 C ATOM 0 H VAL A 60 0.038 -10.977 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 60 1.216 -8.269 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 60 0.777 -10.690 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.762 -9.336 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.685 -9.050 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.637 -7.858 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.954 -10.019 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.929 -8.581 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.969 -10.207 -1.524 1.00 0.00 H new ATOM 957 N CYS A 61 -1.877 -9.151 -0.891 1.00 0.00 N ATOM 958 CA CYS A 61 -3.239 -8.645 -0.978 1.00 0.00 C ATOM 959 C CYS A 61 -4.181 -9.750 -0.479 1.00 0.00 C ATOM 960 O CYS A 61 -3.833 -10.921 -0.605 1.00 0.00 O ATOM 961 CB CYS A 61 -3.552 -8.166 -2.403 1.00 0.00 C ATOM 962 SG CYS A 61 -5.131 -8.463 -3.214 1.00 0.00 S ATOM 0 H CYS A 61 -1.819 -10.128 -0.603 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.377 -7.767 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.401 -7.087 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.787 -8.597 -3.049 1.00 0.00 H new ATOM 967 N PRO A 62 -5.325 -9.355 0.126 1.00 0.00 N ATOM 968 CA PRO A 62 -5.571 -7.985 0.597 1.00 0.00 C ATOM 969 C PRO A 62 -4.733 -7.591 1.804 1.00 0.00 C ATOM 970 O PRO A 62 -4.999 -6.616 2.494 1.00 0.00 O ATOM 971 CB PRO A 62 -7.051 -7.866 0.921 1.00 0.00 C ATOM 972 CG PRO A 62 -7.471 -9.290 1.206 1.00 0.00 C ATOM 973 CD PRO A 62 -6.357 -10.214 0.688 1.00 0.00 C ATOM 0 HA PRO A 62 -5.276 -7.298 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.222 -7.218 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.611 -7.443 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.625 -9.437 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.417 -9.516 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.954 -10.824 1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.743 -10.899 -0.067 1.00 0.00 H new ATOM 981 N THR A 63 -3.648 -8.292 2.025 1.00 0.00 N ATOM 982 CA THR A 63 -2.625 -7.940 2.985 1.00 0.00 C ATOM 983 C THR A 63 -2.119 -6.505 2.840 1.00 0.00 C ATOM 984 O THR A 63 -1.943 -5.803 3.826 1.00 0.00 O ATOM 985 CB THR A 63 -1.504 -8.966 2.831 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.067 -10.164 2.346 1.00 0.00 O ATOM 987 CG2 THR A 63 -0.864 -9.295 4.157 1.00 0.00 C ATOM 0 H THR A 63 -3.444 -9.156 1.523 1.00 0.00 H new ATOM 0 HA THR A 63 -3.044 -7.968 3.991 1.00 0.00 H new ATOM 0 HB THR A 63 -0.755 -8.547 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.659 -10.392 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.071 -10.028 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.442 -8.389 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.615 -9.706 4.831 1.00 0.00 H new ATOM 995 N LEU A 64 -2.103 -5.969 1.618 1.00 0.00 N ATOM 996 CA LEU A 64 -1.820 -4.556 1.381 1.00 0.00 C ATOM 997 C LEU A 64 -3.007 -3.644 1.670 1.00 0.00 C ATOM 998 O LEU A 64 -2.802 -2.522 2.119 1.00 0.00 O ATOM 999 CB LEU A 64 -1.412 -4.378 -0.081 1.00 0.00 C ATOM 1000 CG LEU A 64 0.062 -3.957 -0.212 1.00 0.00 C ATOM 1001 CD1 LEU A 64 0.792 -4.852 -1.198 1.00 0.00 C ATOM 1002 CD2 LEU A 64 0.134 -2.503 -0.671 1.00 0.00 C ATOM 0 H LEU A 64 -2.286 -6.503 0.768 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.022 -4.270 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.573 -5.311 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.048 -3.626 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 64 0.545 -4.058 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.832 -4.536 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.751 -5.885 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.317 -4.779 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.177 -2.202 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.361 -2.401 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.363 -1.866 0.060 1.00 0.00 H new ATOM 1014 N LYS A 65 -4.248 -4.128 1.478 1.00 0.00 N ATOM 1015 CA LYS A 65 -5.480 -3.404 1.869 1.00 0.00 C ATOM 1016 C LYS A 65 -5.372 -2.906 3.295 1.00 0.00 C ATOM 1017 O LYS A 65 -5.862 -1.816 3.564 1.00 0.00 O ATOM 1018 CB LYS A 65 -6.724 -4.294 1.725 1.00 0.00 C ATOM 1019 CG LYS A 65 -8.022 -3.574 2.092 1.00 0.00 C ATOM 1020 CD LYS A 65 -9.167 -3.951 1.149 1.00 0.00 C ATOM 1021 CE LYS A 65 -10.424 -4.327 1.924 1.00 0.00 C ATOM 1022 NZ LYS A 65 -11.553 -4.584 0.993 1.00 0.00 N ATOM 0 H LYS A 65 -4.429 -5.034 1.046 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.587 -2.553 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.791 -4.651 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.611 -5.172 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.298 -3.822 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.862 -2.496 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.384 -3.114 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.862 -4.787 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.234 -5.214 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.688 -3.524 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.401 -4.839 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.744 -3.728 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.305 -5.366 0.354 1.00 0.00 H new ATOM 1036 N GLN A 66 -4.776 -3.680 4.205 1.00 0.00 N ATOM 1037 CA GLN A 66 -4.592 -3.238 5.585 1.00 0.00 C ATOM 1038 C GLN A 66 -3.596 -2.109 5.757 1.00 0.00 C ATOM 1039 O GLN A 66 -3.942 -1.078 6.336 1.00 0.00 O ATOM 1040 CB GLN A 66 -4.151 -4.392 6.482 1.00 0.00 C ATOM 1041 CG GLN A 66 -4.627 -4.202 7.925 1.00 0.00 C ATOM 1042 CD GLN A 66 -6.141 -4.046 7.957 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -6.912 -4.976 7.807 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -6.630 -2.829 8.016 1.00 0.00 N ATOM 0 H GLN A 66 -4.414 -4.613 4.010 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.573 -2.863 5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.545 -5.329 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.064 -4.471 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.328 -5.057 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.153 -3.322 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.004 -2.033 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.636 -2.679 7.937 1.00 0.00 H new ATOM 1053 N ALA A 67 -2.386 -2.296 5.230 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.392 -1.242 5.166 1.00 0.00 C ATOM 1055 C ALA A 67 -1.987 0.067 4.602 1.00 0.00 C ATOM 1056 O ALA A 67 -1.799 1.169 5.125 1.00 0.00 O ATOM 1057 CB ALA A 67 -0.217 -1.792 4.339 1.00 0.00 C ATOM 0 H ALA A 67 -2.074 -3.184 4.838 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.037 -0.968 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.561 -1.032 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.189 -2.678 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.567 -2.056 3.341 1.00 0.00 H new ATOM 1063 N ALA A 68 -2.853 -0.090 3.601 1.00 0.00 N ATOM 1064 CA ALA A 68 -3.563 1.019 2.985 1.00 0.00 C ATOM 1065 C ALA A 68 -4.691 1.576 3.862 1.00 0.00 C ATOM 1066 O ALA A 68 -4.946 2.781 3.887 1.00 0.00 O ATOM 1067 CB ALA A 68 -4.152 0.558 1.661 1.00 0.00 C ATOM 0 H ALA A 68 -3.080 -0.998 3.196 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.839 1.821 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.686 1.385 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.350 0.225 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.843 -0.267 1.837 1.00 0.00 H new ATOM 1073 N LYS A 69 -5.399 0.703 4.592 1.00 0.00 N ATOM 1074 CA LYS A 69 -6.437 1.089 5.560 1.00 0.00 C ATOM 1075 C LYS A 69 -5.888 1.979 6.667 1.00 0.00 C ATOM 1076 O LYS A 69 -6.640 2.796 7.174 1.00 0.00 O ATOM 1077 CB LYS A 69 -7.066 -0.149 6.223 1.00 0.00 C ATOM 1078 CG LYS A 69 -8.588 -0.077 6.181 1.00 0.00 C ATOM 1079 CD LYS A 69 -9.143 -0.739 4.910 1.00 0.00 C ATOM 1080 CE LYS A 69 -9.964 -1.986 5.264 1.00 0.00 C ATOM 1081 NZ LYS A 69 -11.426 -1.724 5.172 1.00 0.00 N ATOM 0 H LYS A 69 -5.265 -0.306 4.526 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.186 1.639 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.727 -1.051 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.730 -0.222 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.002 -0.570 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.906 0.965 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.766 -0.029 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.322 -1.014 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.697 -2.801 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.715 -2.312 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.950 -2.588 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.685 -0.963 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.667 -1.437 4.202 1.00 0.00 H new ATOM 1095 N SER A 70 -4.600 1.852 6.990 1.00 0.00 N ATOM 1096 CA SER A 70 -3.848 2.750 7.895 1.00 0.00 C ATOM 1097 C SER A 70 -3.071 3.855 7.160 1.00 0.00 C ATOM 1098 O SER A 70 -2.117 4.431 7.681 1.00 0.00 O ATOM 1099 CB SER A 70 -2.893 1.920 8.758 1.00 0.00 C ATOM 1100 OG SER A 70 -3.453 1.774 10.041 1.00 0.00 O ATOM 0 H SER A 70 -4.023 1.097 6.620 1.00 0.00 H new ATOM 0 HA SER A 70 -4.583 3.259 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.728 0.943 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.921 2.410 8.824 1.00 0.00 H new ATOM 0 HG SER A 70 -2.851 1.242 10.602 1.00 0.00 H new ATOM 1106 N VAL A 71 -3.512 4.198 5.953 1.00 0.00 N ATOM 1107 CA VAL A 71 -2.932 5.267 5.113 1.00 0.00 C ATOM 1108 C VAL A 71 -3.944 6.365 4.793 1.00 0.00 C ATOM 1109 O VAL A 71 -3.609 7.427 4.261 1.00 0.00 O ATOM 1110 CB VAL A 71 -2.297 4.587 3.891 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -2.598 5.184 2.542 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -0.812 4.651 4.020 1.00 0.00 C ATOM 0 H VAL A 71 -4.305 3.733 5.511 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.151 5.811 5.645 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.730 3.587 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.089 4.610 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.673 5.159 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.250 6.217 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.351 4.171 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.495 5.693 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.503 4.136 4.930 1.00 0.00 H new ATOM 1122 N ARG A 72 -5.199 6.106 5.147 1.00 0.00 N ATOM 1123 CA ARG A 72 -6.341 6.954 4.849 1.00 0.00 C ATOM 1124 C ARG A 72 -6.699 7.728 6.093 1.00 0.00 C ATOM 1125 O ARG A 72 -6.832 7.120 7.151 1.00 0.00 O ATOM 1126 CB ARG A 72 -7.525 6.109 4.410 1.00 0.00 C ATOM 1127 CG ARG A 72 -7.538 4.682 4.914 1.00 0.00 C ATOM 1128 CD ARG A 72 -8.853 3.974 4.622 1.00 0.00 C ATOM 1129 NE ARG A 72 -9.542 3.613 5.865 1.00 0.00 N ATOM 1130 CZ ARG A 72 -10.605 2.842 5.960 1.00 0.00 C ATOM 1131 NH1 ARG A 72 -11.144 2.310 4.894 1.00 0.00 N ATOM 1132 NH2 ARG A 72 -11.127 2.558 7.119 1.00 0.00 N ATOM 0 H ARG A 72 -5.455 5.268 5.669 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.089 7.639 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.440 6.600 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.550 6.090 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.721 4.129 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.357 4.678 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.493 4.621 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.664 3.077 4.033 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.164 3.993 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.741 2.490 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.967 1.715 4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.712 2.935 7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.951 1.959 7.174 1.00 0.00 H new ATOM 1146 N VAL A 73 -6.818 9.043 5.922 1.00 0.00 N ATOM 1147 CA VAL A 73 -7.114 9.975 7.002 1.00 0.00 C ATOM 1148 C VAL A 73 -7.899 11.166 6.461 1.00 0.00 C ATOM 1149 O VAL A 73 -7.688 11.584 5.318 1.00 0.00 O ATOM 1150 CB VAL A 73 -5.815 10.442 7.695 1.00 0.00 C ATOM 1151 CG1 VAL A 73 -6.162 10.905 9.118 1.00 0.00 C ATOM 1152 CG2 VAL A 73 -4.720 9.353 7.776 1.00 0.00 C ATOM 0 H VAL A 73 -6.709 9.495 5.014 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.724 9.464 7.747 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.404 11.249 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.256 11.239 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.874 11.729 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.603 10.077 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.840 9.758 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.097 8.500 8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.450 9.033 6.770 1.00 0.00 H new ATOM 1162 N GLN A 74 -8.821 11.707 7.251 1.00 0.00 N ATOM 1163 CA GLN A 74 -9.602 12.881 6.856 1.00 0.00 C ATOM 1164 C GLN A 74 -8.832 14.172 7.119 1.00 0.00 C ATOM 1165 O GLN A 74 -7.851 14.192 7.855 1.00 0.00 O ATOM 1166 CB GLN A 74 -10.945 12.853 7.603 1.00 0.00 C ATOM 1167 CG GLN A 74 -12.106 12.674 6.613 1.00 0.00 C ATOM 1168 CD GLN A 74 -13.302 11.917 7.178 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -13.405 11.552 8.332 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -14.253 11.606 6.337 1.00 0.00 N ATOM 0 H GLN A 74 -9.049 11.349 8.178 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.792 12.851 5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.948 12.039 8.328 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.076 13.779 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.438 13.657 6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.739 12.146 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.189 11.901 5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.059 11.068 6.655 1.00 0.00 H new ATOM 1179 N GLY A 75 -9.291 15.260 6.505 1.00 0.00 N ATOM 1180 CA GLY A 75 -8.703 16.585 6.694 1.00 0.00 C ATOM 1181 C GLY A 75 -8.905 17.427 5.449 1.00 0.00 C ATOM 1182 O GLY A 75 -9.982 17.972 5.237 1.00 0.00 O ATOM 0 H GLY A 75 -10.082 15.248 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.161 17.076 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.639 16.492 6.911 1.00 0.00 H new ATOM 1186 N GLN A 76 -7.891 17.490 4.589 1.00 0.00 N ATOM 1187 CA GLN A 76 -7.925 18.267 3.351 1.00 0.00 C ATOM 1188 C GLN A 76 -7.496 17.402 2.185 1.00 0.00 C ATOM 1189 O GLN A 76 -6.316 17.136 1.956 1.00 0.00 O ATOM 1190 CB GLN A 76 -7.054 19.526 3.483 1.00 0.00 C ATOM 1191 CG GLN A 76 -7.908 20.793 3.364 1.00 0.00 C ATOM 1192 CD GLN A 76 -7.438 21.849 4.346 1.00 0.00 C ATOM 1193 OE1 GLN A 76 -6.578 22.666 4.079 1.00 0.00 O ATOM 1194 NE2 GLN A 76 -7.980 21.828 5.542 1.00 0.00 N ATOM 0 H GLN A 76 -7.010 16.996 4.734 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.946 18.598 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.539 19.518 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.286 19.525 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.850 21.183 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.954 20.552 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.701 21.141 5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.680 22.498 6.250 1.00 0.00 H new ATOM 1203 N HIS A 77 -8.477 16.919 1.436 1.00 0.00 N ATOM 1204 CA HIS A 77 -8.196 16.151 0.241 1.00 0.00 C ATOM 1205 C HIS A 77 -9.472 16.185 -0.578 1.00 0.00 C ATOM 1206 O HIS A 77 -10.506 15.819 -0.050 1.00 0.00 O ATOM 1207 CB HIS A 77 -7.760 14.715 0.637 1.00 0.00 C ATOM 1208 CG HIS A 77 -6.942 14.046 -0.441 1.00 0.00 C ATOM 1209 ND1 HIS A 77 -6.452 14.669 -1.572 1.00 0.00 N ATOM 1210 CD2 HIS A 77 -6.502 12.754 -0.444 1.00 0.00 C ATOM 1211 CE1 HIS A 77 -5.769 13.764 -2.291 1.00 0.00 C ATOM 1212 NE2 HIS A 77 -5.771 12.591 -1.617 1.00 0.00 N ATOM 0 H HIS A 77 -9.469 17.047 1.637 1.00 0.00 H new ATOM 0 HA HIS A 77 -7.374 16.557 -0.348 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.179 14.755 1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.645 14.113 0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.685 12.006 0.314 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.298 13.942 -3.246 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.313 11.731 -1.918 1.00 0.00 H new ATOM 1221 N GLY A 78 -9.384 16.660 -1.825 1.00 0.00 N ATOM 1222 CA GLY A 78 -10.504 16.663 -2.788 1.00 0.00 C ATOM 1223 C GLY A 78 -11.331 15.369 -2.760 1.00 0.00 C ATOM 1224 O GLY A 78 -12.531 15.403 -2.524 1.00 0.00 O ATOM 0 H GLY A 78 -8.525 17.059 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.157 17.509 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.110 16.813 -3.793 1.00 0.00 H new ATOM 1228 N PRO A 79 -10.702 14.219 -3.049 1.00 0.00 N ATOM 1229 CA PRO A 79 -11.336 12.914 -2.930 1.00 0.00 C ATOM 1230 C PRO A 79 -11.523 12.454 -1.471 1.00 0.00 C ATOM 1231 O PRO A 79 -11.285 13.163 -0.503 1.00 0.00 O ATOM 1232 CB PRO A 79 -10.429 11.981 -3.740 1.00 0.00 C ATOM 1233 CG PRO A 79 -9.075 12.670 -3.793 1.00 0.00 C ATOM 1234 CD PRO A 79 -9.309 14.103 -3.419 1.00 0.00 C ATOM 0 HA PRO A 79 -12.358 12.926 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.352 11.002 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.827 11.821 -4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.373 12.199 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.641 12.596 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.664 14.396 -2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.075 14.763 -4.254 1.00 0.00 H new ATOM 1242 N PHE A 80 -11.857 11.184 -1.310 1.00 0.00 N ATOM 1243 CA PHE A 80 -12.004 10.579 -0.001 1.00 0.00 C ATOM 1244 C PHE A 80 -10.746 9.784 0.332 1.00 0.00 C ATOM 1245 O PHE A 80 -10.082 9.198 -0.540 1.00 0.00 O ATOM 1246 CB PHE A 80 -13.290 9.751 -0.033 1.00 0.00 C ATOM 1247 CG PHE A 80 -14.317 10.240 0.969 1.00 0.00 C ATOM 1248 CD1 PHE A 80 -14.887 11.526 0.832 1.00 0.00 C ATOM 1249 CD2 PHE A 80 -14.697 9.399 2.032 1.00 0.00 C ATOM 1250 CE1 PHE A 80 -15.860 11.951 1.748 1.00 0.00 C ATOM 1251 CE2 PHE A 80 -15.668 9.827 2.947 1.00 0.00 C ATOM 1252 CZ PHE A 80 -16.250 11.099 2.798 1.00 0.00 C ATOM 0 H PHE A 80 -12.033 10.545 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 80 -12.101 11.312 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.718 9.788 -1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -13.052 8.708 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.576 12.176 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -14.241 8.426 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -16.308 12.928 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -15.968 9.184 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 80 -17.005 11.426 3.498 1.00 0.00 H new ATOM 1262 N GLN A 81 -10.428 9.709 1.619 1.00 0.00 N ATOM 1263 CA GLN A 81 -9.402 8.837 2.185 1.00 0.00 C ATOM 1264 C GLN A 81 -9.778 7.355 2.064 1.00 0.00 C ATOM 1265 O GLN A 81 -9.965 6.626 3.026 1.00 0.00 O ATOM 1266 CB GLN A 81 -9.172 9.219 3.640 1.00 0.00 C ATOM 1267 CG GLN A 81 -10.424 9.129 4.555 1.00 0.00 C ATOM 1268 CD GLN A 81 -10.337 8.092 5.685 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -9.583 8.180 6.630 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -11.138 7.057 5.655 1.00 0.00 N ATOM 0 H GLN A 81 -10.896 10.276 2.326 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.481 8.974 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.395 8.573 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.789 10.239 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.602 10.109 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.290 8.896 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.791 6.939 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.110 6.368 6.407 1.00 0.00 H new ATOM 1279 N SER A 82 -9.962 6.890 0.846 1.00 0.00 N ATOM 1280 CA SER A 82 -10.372 5.521 0.547 1.00 0.00 C ATOM 1281 C SER A 82 -10.620 5.449 -0.931 1.00 0.00 C ATOM 1282 O SER A 82 -10.189 4.497 -1.548 1.00 0.00 O ATOM 1283 CB SER A 82 -11.689 5.118 1.240 1.00 0.00 C ATOM 1284 OG SER A 82 -11.446 3.956 2.005 1.00 0.00 O ATOM 0 H SER A 82 -9.829 7.462 0.012 1.00 0.00 H new ATOM 0 HA SER A 82 -9.586 4.853 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.046 5.926 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.467 4.930 0.500 1.00 0.00 H new ATOM 0 HG SER A 82 -10.883 3.339 1.493 1.00 0.00 H new ATOM 1290 N THR A 83 -11.189 6.502 -1.539 1.00 0.00 N ATOM 1291 CA THR A 83 -11.336 6.438 -3.005 1.00 0.00 C ATOM 1292 C THR A 83 -10.051 6.785 -3.716 1.00 0.00 C ATOM 1293 O THR A 83 -9.784 6.263 -4.786 1.00 0.00 O ATOM 1294 CB THR A 83 -12.497 7.317 -3.459 1.00 0.00 C ATOM 1295 OG1 THR A 83 -13.200 6.639 -4.451 1.00 0.00 O ATOM 1296 CG2 THR A 83 -12.128 8.706 -3.992 1.00 0.00 C ATOM 0 H THR A 83 -11.532 7.348 -1.084 1.00 0.00 H new ATOM 0 HA THR A 83 -11.566 5.408 -3.278 1.00 0.00 H new ATOM 0 HB THR A 83 -13.083 7.502 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.952 7.190 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.035 9.237 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.612 9.269 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.475 8.602 -4.858 1.00 0.00 H new ATOM 1304 N ARG A 84 -9.223 7.638 -3.089 1.00 0.00 N ATOM 1305 CA ARG A 84 -7.955 8.083 -3.678 1.00 0.00 C ATOM 1306 C ARG A 84 -6.829 7.175 -3.314 1.00 0.00 C ATOM 1307 O ARG A 84 -6.053 6.812 -4.184 1.00 0.00 O ATOM 1308 CB ARG A 84 -7.623 9.523 -3.266 1.00 0.00 C ATOM 1309 CG ARG A 84 -6.903 10.279 -4.397 1.00 0.00 C ATOM 1310 CD ARG A 84 -7.727 10.296 -5.700 1.00 0.00 C ATOM 1311 NE ARG A 84 -7.137 9.413 -6.705 1.00 0.00 N ATOM 1312 CZ ARG A 84 -7.512 9.325 -7.966 1.00 0.00 C ATOM 1313 NH1 ARG A 84 -8.483 10.044 -8.452 1.00 0.00 N ATOM 1314 NH2 ARG A 84 -6.903 8.498 -8.760 1.00 0.00 N ATOM 0 H ARG A 84 -9.414 8.033 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.082 8.052 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.541 10.048 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.994 9.513 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.706 11.303 -4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.936 9.812 -4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.750 9.983 -5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.778 11.313 -6.089 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.369 8.813 -6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.980 10.702 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.746 9.949 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.139 7.921 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.188 8.425 -9.737 1.00 0.00 H new ATOM 1328 N ILE A 85 -6.777 6.822 -2.033 1.00 0.00 N ATOM 1329 CA ILE A 85 -5.754 5.941 -1.487 1.00 0.00 C ATOM 1330 C ILE A 85 -5.747 4.621 -2.245 1.00 0.00 C ATOM 1331 O ILE A 85 -4.707 4.151 -2.693 1.00 0.00 O ATOM 1332 CB ILE A 85 -6.007 5.740 0.025 1.00 0.00 C ATOM 1333 CG1 ILE A 85 -5.735 7.083 0.771 1.00 0.00 C ATOM 1334 CG2 ILE A 85 -5.158 4.574 0.558 1.00 0.00 C ATOM 1335 CD1 ILE A 85 -4.270 7.561 0.741 1.00 0.00 C ATOM 0 H ILE A 85 -7.452 7.144 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.768 6.390 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.047 5.468 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.363 7.858 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.044 6.973 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.346 4.444 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.423 3.659 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.102 4.791 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.183 8.501 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.633 6.810 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.957 7.710 -0.292 1.00 0.00 H new ATOM 1347 N TYR A 86 -6.934 4.044 -2.402 1.00 0.00 N ATOM 1348 CA TYR A 86 -7.120 2.800 -3.124 1.00 0.00 C ATOM 1349 C TYR A 86 -6.821 2.997 -4.575 1.00 0.00 C ATOM 1350 O TYR A 86 -6.085 2.205 -5.115 1.00 0.00 O ATOM 1351 CB TYR A 86 -8.561 2.358 -3.032 1.00 0.00 C ATOM 1352 CG TYR A 86 -8.895 1.672 -1.723 1.00 0.00 C ATOM 1353 CD1 TYR A 86 -8.678 2.302 -0.479 1.00 0.00 C ATOM 1354 CD2 TYR A 86 -9.413 0.372 -1.773 1.00 0.00 C ATOM 1355 CE1 TYR A 86 -9.025 1.662 0.716 1.00 0.00 C ATOM 1356 CE2 TYR A 86 -9.743 -0.288 -0.585 1.00 0.00 C ATOM 1357 CZ TYR A 86 -9.562 0.355 0.656 1.00 0.00 C ATOM 1358 OH TYR A 86 -9.998 -0.254 1.790 1.00 0.00 O ATOM 0 H TYR A 86 -7.799 4.434 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.453 2.058 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.209 3.226 -3.155 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.779 1.679 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.239 3.289 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.557 -0.119 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.885 2.157 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.137 -1.293 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.338 -1.147 1.572 1.00 0.00 H new ATOM 1368 N GLN A 87 -7.309 4.070 -5.203 1.00 0.00 N ATOM 1369 CA GLN A 87 -6.960 4.357 -6.595 1.00 0.00 C ATOM 1370 C GLN A 87 -5.456 4.472 -6.829 1.00 0.00 C ATOM 1371 O GLN A 87 -5.013 4.328 -7.964 1.00 0.00 O ATOM 1372 CB GLN A 87 -7.589 5.684 -7.027 1.00 0.00 C ATOM 1373 CG GLN A 87 -8.714 5.502 -8.059 1.00 0.00 C ATOM 1374 CD GLN A 87 -9.846 6.533 -7.965 1.00 0.00 C ATOM 1375 OE1 GLN A 87 -9.724 7.601 -7.376 1.00 0.00 O ATOM 1376 NE2 GLN A 87 -10.973 6.277 -8.570 1.00 0.00 N ATOM 0 H GLN A 87 -7.940 4.747 -4.775 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.339 3.516 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.986 6.195 -6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.816 6.327 -7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.282 5.548 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.139 4.505 -7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.096 5.394 -9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.731 6.959 -8.547 1.00 0.00 H new ATOM 1385 N ILE A 88 -4.664 4.743 -5.799 1.00 0.00 N ATOM 1386 CA ILE A 88 -3.207 4.740 -5.890 1.00 0.00 C ATOM 1387 C ILE A 88 -2.687 3.320 -5.677 1.00 0.00 C ATOM 1388 O ILE A 88 -2.014 2.773 -6.552 1.00 0.00 O ATOM 1389 CB ILE A 88 -2.679 5.729 -4.851 1.00 0.00 C ATOM 1390 CG1 ILE A 88 -3.021 7.178 -5.261 1.00 0.00 C ATOM 1391 CG2 ILE A 88 -1.173 5.549 -4.684 1.00 0.00 C ATOM 1392 CD1 ILE A 88 -3.089 8.090 -4.032 1.00 0.00 C ATOM 0 H ILE A 88 -5.016 4.973 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.859 5.053 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.160 5.530 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.268 7.551 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.976 7.196 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.802 6.256 -3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.963 4.532 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.677 5.730 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.331 9.105 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.859 7.727 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.125 8.088 -3.523 1.00 0.00 H new ATOM 1404 N ALA A 89 -3.055 2.681 -4.567 1.00 0.00 N ATOM 1405 CA ALA A 89 -2.642 1.294 -4.372 1.00 0.00 C ATOM 1406 C ALA A 89 -3.301 0.309 -5.355 1.00 0.00 C ATOM 1407 O ALA A 89 -2.997 -0.880 -5.385 1.00 0.00 O ATOM 1408 CB ALA A 89 -2.947 0.891 -2.937 1.00 0.00 C ATOM 0 H ALA A 89 -3.616 3.083 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.572 1.241 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.643 -0.144 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.400 1.540 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.017 0.988 -2.751 1.00 0.00 H new ATOM 1414 N LYS A 90 -4.201 0.799 -6.205 1.00 0.00 N ATOM 1415 CA LYS A 90 -4.857 0.018 -7.252 1.00 0.00 C ATOM 1416 C LYS A 90 -3.866 -0.242 -8.370 1.00 0.00 C ATOM 1417 O LYS A 90 -3.871 -1.314 -8.954 1.00 0.00 O ATOM 1418 CB LYS A 90 -6.137 0.743 -7.713 1.00 0.00 C ATOM 1419 CG LYS A 90 -6.549 0.453 -9.158 1.00 0.00 C ATOM 1420 CD LYS A 90 -5.734 1.306 -10.159 1.00 0.00 C ATOM 1421 CE LYS A 90 -6.568 2.402 -10.802 1.00 0.00 C ATOM 1422 NZ LYS A 90 -6.188 3.722 -10.262 1.00 0.00 N ATOM 0 H LYS A 90 -4.502 1.773 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.175 -0.955 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.956 0.461 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.991 1.817 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.402 -0.605 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.612 0.659 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.886 1.755 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.328 0.659 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.426 2.389 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.626 2.218 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.993 4.375 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.920 3.624 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.382 4.099 -10.801 1.00 0.00 H new ATOM 1436 N ASN A 91 -2.997 0.738 -8.662 1.00 0.00 N ATOM 1437 CA ASN A 91 -1.955 0.647 -9.683 1.00 0.00 C ATOM 1438 C ASN A 91 -0.630 0.177 -9.072 1.00 0.00 C ATOM 1439 O ASN A 91 0.370 0.100 -9.772 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.797 1.979 -10.440 1.00 0.00 C ATOM 1441 CG ASN A 91 -1.678 3.197 -9.559 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -0.669 3.502 -8.949 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -2.759 3.919 -9.491 1.00 0.00 N ATOM 0 H ASN A 91 -3.004 1.637 -8.179 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.262 -0.102 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.912 1.918 -11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.654 2.109 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.774 4.762 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.591 3.642 -10.012 1.00 0.00 H new ATOM 1450 N LEU A 92 -0.624 -0.193 -7.795 1.00 0.00 N ATOM 1451 CA LEU A 92 0.572 -0.726 -7.144 1.00 0.00 C ATOM 1452 C LEU A 92 0.825 -2.162 -7.607 1.00 0.00 C ATOM 1453 O LEU A 92 1.818 -2.383 -8.292 1.00 0.00 O ATOM 1454 CB LEU A 92 0.395 -0.645 -5.617 1.00 0.00 C ATOM 1455 CG LEU A 92 1.184 0.484 -4.982 1.00 0.00 C ATOM 1456 CD1 LEU A 92 0.722 0.680 -3.523 1.00 0.00 C ATOM 1457 CD2 LEU A 92 2.683 0.183 -5.058 1.00 0.00 C ATOM 0 H LEU A 92 -1.440 -0.133 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 92 1.444 -0.134 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.662 -0.515 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.704 -1.591 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 92 1.002 1.411 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.290 1.491 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.340 0.926 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.889 -0.239 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.242 0.999 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.895 -0.745 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.981 0.080 -6.101 1.00 0.00 H new ATOM 1469 N PRO A 93 -0.091 -3.124 -7.342 1.00 0.00 N ATOM 1470 CA PRO A 93 0.044 -4.503 -7.798 1.00 0.00 C ATOM 1471 C PRO A 93 -0.157 -4.648 -9.304 1.00 0.00 C ATOM 1472 O PRO A 93 -0.082 -5.758 -9.814 1.00 0.00 O ATOM 1473 CB PRO A 93 -1.023 -5.304 -7.033 1.00 0.00 C ATOM 1474 CG PRO A 93 -2.068 -4.299 -6.572 1.00 0.00 C ATOM 1475 CD PRO A 93 -1.415 -2.946 -6.763 1.00 0.00 C ATOM 0 HA PRO A 93 1.053 -4.865 -7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.471 -6.064 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.582 -5.824 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.983 -4.383 -7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.341 -4.463 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.028 -2.323 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.339 -2.429 -5.807 1.00 0.00 H new ATOM 1483 N ASN A 94 -0.438 -3.558 -10.012 1.00 0.00 N ATOM 1484 CA ASN A 94 -0.548 -3.563 -11.470 1.00 0.00 C ATOM 1485 C ASN A 94 0.801 -3.330 -12.130 1.00 0.00 C ATOM 1486 O ASN A 94 1.083 -3.897 -13.177 1.00 0.00 O ATOM 1487 CB ASN A 94 -1.489 -2.448 -11.907 1.00 0.00 C ATOM 1488 CG ASN A 94 -2.920 -2.686 -11.484 1.00 0.00 C ATOM 1489 OD1 ASN A 94 -3.310 -3.678 -10.893 1.00 0.00 O ATOM 1490 ND2 ASN A 94 -3.744 -1.710 -11.729 1.00 0.00 N ATOM 0 H ASN A 94 -0.597 -2.643 -9.591 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.927 -4.539 -11.773 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.144 -1.503 -11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.448 -2.349 -12.992 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.716 -1.775 -11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.418 -0.880 -12.224 1.00 0.00 H new ATOM 1497 N VAL A 95 1.635 -2.491 -11.514 1.00 0.00 N ATOM 1498 CA VAL A 95 2.972 -2.151 -12.025 1.00 0.00 C ATOM 1499 C VAL A 95 4.056 -2.942 -11.296 1.00 0.00 C ATOM 1500 O VAL A 95 5.190 -3.031 -11.746 1.00 0.00 O ATOM 1501 CB VAL A 95 3.226 -0.642 -11.899 1.00 0.00 C ATOM 1502 CG1 VAL A 95 4.480 -0.244 -12.686 1.00 0.00 C ATOM 1503 CG2 VAL A 95 2.032 0.201 -12.404 1.00 0.00 C ATOM 0 H VAL A 95 1.403 -2.022 -10.638 1.00 0.00 H new ATOM 0 HA VAL A 95 3.011 -2.423 -13.080 1.00 0.00 H new ATOM 0 HB VAL A 95 3.364 -0.437 -10.837 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.647 0.829 -12.587 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.342 -0.783 -12.293 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.344 -0.494 -13.738 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.262 1.261 -12.293 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.848 -0.022 -13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.144 -0.040 -11.820 1.00 0.00 H new ATOM 1513 N CYS A 96 3.676 -3.600 -10.204 1.00 0.00 N ATOM 1514 CA CYS A 96 4.537 -4.484 -9.432 1.00 0.00 C ATOM 1515 C CYS A 96 3.864 -5.839 -9.286 1.00 0.00 C ATOM 1516 O CYS A 96 3.998 -6.408 -8.229 1.00 0.00 O ATOM 1517 CB CYS A 96 4.865 -3.813 -8.083 1.00 0.00 C ATOM 1518 SG CYS A 96 6.227 -2.643 -8.150 1.00 0.00 S ATOM 0 H CYS A 96 2.733 -3.529 -9.823 1.00 0.00 H new ATOM 0 HA CYS A 96 5.485 -4.658 -9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.976 -3.297 -7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.102 -4.587 -7.354 1.00 0.00 H new ATOM 1523 N ASN A 97 3.151 -6.345 -10.308 1.00 0.00 N ATOM 1524 CA ASN A 97 2.479 -7.661 -10.312 1.00 0.00 C ATOM 1525 C ASN A 97 3.104 -8.621 -9.304 1.00 0.00 C ATOM 1526 O ASN A 97 4.089 -9.314 -9.567 1.00 0.00 O ATOM 1527 CB ASN A 97 2.511 -8.313 -11.696 1.00 0.00 C ATOM 1528 CG ASN A 97 1.352 -7.876 -12.549 1.00 0.00 C ATOM 1529 OD1 ASN A 97 0.357 -8.569 -12.687 1.00 0.00 O ATOM 1530 ND2 ASN A 97 1.449 -6.695 -13.100 1.00 0.00 N ATOM 0 H ASN A 97 3.021 -5.835 -11.182 1.00 0.00 H new ATOM 0 HA ASN A 97 1.444 -7.469 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.446 -8.058 -12.196 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.493 -9.397 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.681 -6.330 -13.663 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.293 -6.138 -12.967 1.00 0.00 H new ATOM 1537 N MET A 98 2.493 -8.629 -8.123 1.00 0.00 N ATOM 1538 CA MET A 98 3.010 -9.374 -6.981 1.00 0.00 C ATOM 1539 C MET A 98 1.977 -10.354 -6.473 1.00 0.00 C ATOM 1540 O MET A 98 2.055 -10.881 -5.386 1.00 0.00 O ATOM 1541 CB MET A 98 3.523 -8.418 -5.908 1.00 0.00 C ATOM 1542 CG MET A 98 2.452 -7.457 -5.417 1.00 0.00 C ATOM 1543 SD MET A 98 2.780 -5.693 -5.685 1.00 0.00 S ATOM 1544 CE MET A 98 1.498 -4.965 -4.657 1.00 0.00 C ATOM 0 H MET A 98 1.629 -8.121 -7.932 1.00 0.00 H new ATOM 0 HA MET A 98 3.867 -9.971 -7.294 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.902 -8.995 -5.064 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.362 -7.848 -6.307 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.513 -7.710 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.307 -7.621 -4.349 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.012 -4.155 -5.201 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.760 -5.726 -4.403 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.944 -4.572 -3.743 1.00 0.00 H new ATOM 1554 N LYS A 99 0.945 -10.587 -7.275 1.00 0.00 N ATOM 1555 CA LYS A 99 -0.118 -11.513 -6.924 1.00 0.00 C ATOM 1556 C LYS A 99 -0.590 -12.090 -8.225 1.00 0.00 C ATOM 1557 O LYS A 99 -1.400 -11.465 -8.910 1.00 0.00 O ATOM 1558 CB LYS A 99 -1.155 -10.766 -6.086 1.00 0.00 C ATOM 1559 CG LYS A 99 -2.551 -11.404 -6.048 1.00 0.00 C ATOM 1560 CD LYS A 99 -3.644 -10.425 -6.524 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.067 -10.666 -7.985 1.00 0.00 C ATOM 1562 NZ LYS A 99 -3.422 -9.722 -8.937 1.00 0.00 N ATOM 0 H LYS A 99 0.824 -10.140 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 99 0.177 -12.350 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.783 -10.685 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.248 -9.751 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.561 -12.293 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.773 -11.730 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.517 -10.520 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.280 -9.403 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.815 -11.688 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.150 -10.572 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.006 -9.639 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.329 -8.788 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.479 -10.078 -9.194 1.00 0.00 H new ATOM 1576 N GLN A 100 -0.075 -13.263 -8.559 1.00 0.00 N ATOM 1577 CA GLN A 100 -0.569 -13.985 -9.734 1.00 0.00 C ATOM 1578 C GLN A 100 -1.585 -15.066 -9.348 1.00 0.00 C ATOM 1579 O GLN A 100 -1.510 -16.205 -9.771 1.00 0.00 O ATOM 1580 CB GLN A 100 0.632 -14.492 -10.531 1.00 0.00 C ATOM 1581 CG GLN A 100 0.348 -14.397 -12.041 1.00 0.00 C ATOM 1582 CD GLN A 100 -0.282 -15.632 -12.689 1.00 0.00 C ATOM 1583 OE1 GLN A 100 -0.246 -16.756 -12.226 1.00 0.00 O ATOM 1584 NE2 GLN A 100 -0.849 -15.466 -13.855 1.00 0.00 N ATOM 0 H GLN A 100 0.672 -13.733 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.133 -13.318 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.516 -13.905 -10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.848 -15.525 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.311 -13.546 -12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.286 -14.182 -12.553 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.896 -14.536 -14.272 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.245 -16.266 -14.348 1.00 0.00 H new ATOM 1593 N ILE A 101 -2.512 -14.717 -8.460 1.00 0.00 N ATOM 1594 CA ILE A 101 -3.480 -15.682 -7.923 1.00 0.00 C ATOM 1595 C ILE A 101 -4.853 -15.042 -7.960 1.00 0.00 C ATOM 1596 O ILE A 101 -5.733 -15.512 -8.670 1.00 0.00 O ATOM 1597 CB ILE A 101 -3.030 -16.217 -6.539 1.00 0.00 C ATOM 1598 CG1 ILE A 101 -4.251 -16.701 -5.715 1.00 0.00 C ATOM 1599 CG2 ILE A 101 -2.194 -15.205 -5.713 1.00 0.00 C ATOM 1600 CD1 ILE A 101 -3.935 -17.923 -4.868 1.00 0.00 C ATOM 0 H ILE A 101 -2.617 -13.771 -8.093 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.533 -16.581 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.369 -17.058 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.592 -15.893 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -5.072 -16.935 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.918 -15.654 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.292 -14.942 -6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.784 -14.306 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.824 -18.220 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.621 -18.742 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.133 -17.684 -4.170 1.00 0.00 H new ATOM 1612 N GLY A 102 -5.003 -13.923 -7.246 1.00 0.00 N ATOM 1613 CA GLY A 102 -6.293 -13.235 -7.167 1.00 0.00 C ATOM 1614 C GLY A 102 -6.895 -13.328 -5.783 1.00 0.00 C ATOM 1615 O GLY A 102 -7.737 -14.166 -5.509 1.00 0.00 O ATOM 0 H GLY A 102 -4.253 -13.477 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.163 -12.187 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.981 -13.668 -7.893 1.00 0.00 H new ATOM 1619 N THR A 103 -6.408 -12.476 -4.889 1.00 0.00 N ATOM 1620 CA THR A 103 -6.775 -12.517 -3.473 1.00 0.00 C ATOM 1621 C THR A 103 -7.815 -11.441 -3.175 1.00 0.00 C ATOM 1622 O THR A 103 -8.908 -11.722 -2.712 1.00 0.00 O ATOM 1623 CB THR A 103 -5.523 -12.341 -2.604 1.00 0.00 C ATOM 1624 OG1 THR A 103 -4.333 -12.728 -3.278 1.00 0.00 O ATOM 1625 CG2 THR A 103 -5.659 -13.116 -1.289 1.00 0.00 C ATOM 0 H THR A 103 -5.747 -11.735 -5.122 1.00 0.00 H new ATOM 0 HA THR A 103 -7.215 -13.486 -3.238 1.00 0.00 H new ATOM 0 HB THR A 103 -5.442 -11.276 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.564 -12.596 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.759 -12.976 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.524 -12.747 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.791 -14.177 -1.504 1.00 0.00 H new ATOM 1633 N CYS A 104 -7.521 -10.198 -3.546 1.00 0.00 N ATOM 1634 CA CYS A 104 -8.439 -9.075 -3.555 1.00 0.00 C ATOM 1635 C CYS A 104 -8.345 -8.362 -4.912 1.00 0.00 C ATOM 1636 O CYS A 104 -7.798 -7.266 -5.015 1.00 0.00 O ATOM 1637 CB CYS A 104 -8.117 -8.212 -2.338 1.00 0.00 C ATOM 1638 SG CYS A 104 -6.554 -7.261 -2.401 1.00 0.00 S ATOM 0 H CYS A 104 -6.587 -9.939 -3.864 1.00 0.00 H new ATOM 0 HA CYS A 104 -9.484 -9.370 -3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.938 -7.510 -2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -8.088 -8.857 -1.460 1.00 0.00 H new ATOM 1643 N PRO A 105 -8.828 -8.972 -6.002 1.00 0.00 N ATOM 1644 CA PRO A 105 -8.864 -8.325 -7.310 1.00 0.00 C ATOM 1645 C PRO A 105 -9.989 -7.276 -7.370 1.00 0.00 C ATOM 1646 O PRO A 105 -10.851 -7.309 -8.228 1.00 0.00 O ATOM 1647 CB PRO A 105 -9.012 -9.472 -8.314 1.00 0.00 C ATOM 1648 CG PRO A 105 -9.588 -10.646 -7.526 1.00 0.00 C ATOM 1649 CD PRO A 105 -9.401 -10.307 -6.053 1.00 0.00 C ATOM 0 HA PRO A 105 -7.964 -7.753 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.672 -9.190 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.050 -9.732 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.643 -10.791 -7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.074 -11.573 -7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.354 -10.340 -5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.743 -11.029 -5.570 1.00 0.00 H new ATOM 1657 N PHE A 106 -9.984 -6.325 -6.440 1.00 0.00 N ATOM 1658 CA PHE A 106 -10.928 -5.208 -6.411 1.00 0.00 C ATOM 1659 C PHE A 106 -10.559 -4.095 -7.410 1.00 0.00 C ATOM 1660 O PHE A 106 -11.168 -3.025 -7.421 1.00 0.00 O ATOM 1661 CB PHE A 106 -10.964 -4.685 -4.967 1.00 0.00 C ATOM 1662 CG PHE A 106 -9.674 -4.012 -4.489 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -9.413 -2.684 -4.844 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -8.723 -4.696 -3.712 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -8.203 -2.052 -4.487 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -7.521 -4.060 -3.335 1.00 0.00 C ATOM 1667 CZ PHE A 106 -7.257 -2.737 -3.720 1.00 0.00 C ATOM 0 H PHE A 106 -9.313 -6.307 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.915 -5.551 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.783 -3.972 -4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.190 -5.518 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.153 -2.131 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.913 -5.713 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.008 -1.039 -4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.796 -4.598 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.336 -2.255 -3.428 1.00 0.00 H new ATOM 1677 N ILE A 107 -9.516 -4.321 -8.212 1.00 0.00 N ATOM 1678 CA ILE A 107 -9.030 -3.362 -9.204 1.00 0.00 C ATOM 1679 C ILE A 107 -10.181 -2.952 -10.115 1.00 0.00 C ATOM 1680 O ILE A 107 -10.850 -3.795 -10.699 1.00 0.00 O ATOM 1681 CB ILE A 107 -7.911 -3.964 -10.063 1.00 0.00 C ATOM 1682 CG1 ILE A 107 -8.255 -5.363 -10.647 1.00 0.00 C ATOM 1683 CG2 ILE A 107 -6.632 -4.029 -9.203 1.00 0.00 C ATOM 1684 CD1 ILE A 107 -7.365 -5.698 -11.840 1.00 0.00 C ATOM 0 H ILE A 107 -8.979 -5.188 -8.189 1.00 0.00 H new ATOM 0 HA ILE A 107 -8.633 -2.498 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.768 -3.321 -10.931 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.133 -6.122 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.301 -5.385 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.819 -4.454 -9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.359 -3.024 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.813 -4.654 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.630 -6.682 -12.226 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.507 -4.951 -12.621 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -6.321 -5.700 -11.526 1.00 0.00 H new ATOM 1696 N ALA A 108 -10.410 -1.652 -10.195 1.00 0.00 N ATOM 1697 CA ALA A 108 -11.535 -1.025 -10.898 1.00 0.00 C ATOM 1698 C ALA A 108 -11.784 0.402 -10.462 1.00 0.00 C ATOM 1699 O ALA A 108 -12.309 1.174 -11.252 1.00 0.00 O ATOM 1700 CB ALA A 108 -12.850 -1.818 -10.745 1.00 0.00 C ATOM 0 H ALA A 108 -9.794 -0.968 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.233 -1.028 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.647 -1.308 -11.285 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.720 -2.821 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.113 -1.886 -9.689 1.00 0.00 H new ATOM 1706 N ILE A 109 -11.380 0.723 -9.230 1.00 0.00 N ATOM 1707 CA ILE A 109 -11.503 2.043 -8.601 1.00 0.00 C ATOM 1708 C ILE A 109 -11.015 3.127 -9.564 1.00 0.00 C ATOM 1709 O ILE A 109 -11.806 4.080 -9.760 1.00 0.00 O ATOM 1710 CB ILE A 109 -10.715 2.114 -7.284 1.00 0.00 C ATOM 1711 CG1 ILE A 109 -11.061 0.974 -6.317 1.00 0.00 C ATOM 1712 CG2 ILE A 109 -10.945 3.437 -6.525 1.00 0.00 C ATOM 1713 CD1 ILE A 109 -9.790 0.246 -5.970 1.00 0.00 C ATOM 1714 OXT ILE A 109 -9.824 3.139 -9.935 1.00 0.00 O ATOM 0 H ILE A 109 -10.938 0.040 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.555 2.209 -8.370 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.673 2.034 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.530 1.370 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.777 0.291 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.364 3.433 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.630 4.274 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -12.004 3.541 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.014 -0.570 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.342 -0.158 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.092 0.937 -5.498 1.00 0.00 H new TER 1726 ILE A 109