USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 934 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 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 HIS :FLIP no HE2:sc= -2.03 F(o=-5.3,f=-3.8) USER MOD Set 1.3: A 33 CYS SG : rot -170:sc= -1.73! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.61 F(o=-2.9!,f=-1.6) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 20 MET CE :methyl -125:sc= -0.624 (180deg=-2.54!) USER MOD Single : A 23 SER OG : rot -21:sc= 0.749 USER MOD Single : A 26 GLN : amide:sc= -0.829 K(o=-0.83,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= -1.25 (180deg=-1.53) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 128:sc= -0.0474 (180deg=-0.354) USER MOD Single : A 41 SER OG : rot -32:sc= 1.04 USER MOD Single : A 43 SER OG : rot 64:sc= 0.394 USER MOD Single : A 48 GLN : amide:sc= -0.0872 K(o=-0.087,f=-0.79) USER MOD Single : A 49 THR OG1 : rot 31:sc= 0.204 USER MOD Single : A 50 MET CE :methyl 171:sc= -0.421 (180deg=-0.769) USER MOD Single : A 54 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 39:sc= -0.0582 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot -61:sc= 0.681 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= -1.59! (180deg=-2.5!) USER MOD Single : A 79 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.4!) USER MOD Single : A 80 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.36) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 85:sc= 0.512 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.189 F(o=-1.4,f=-0.19) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 101 THR OG1 : rot 116:sc= 0.0373 USER MOD Single : A 112 GLN : amide:sc= -4.46 X(o=-4.5,f=-4.1) USER MOD Single : A 113 SER OG : rot -140:sc= 0 USER MOD Single : A 118 THR OG1 : rot 110:sc= -0.294 USER MOD Single : A 120 LYS NZ :NH3+ -166:sc= -0.0431 (180deg=-0.254) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -4.100 26.191 0.564 1.00 0.00 N ATOM 2 CA LYS A 8 -4.367 25.188 1.628 1.00 0.00 C ATOM 3 C LYS A 8 -5.098 23.976 1.061 1.00 0.00 C ATOM 4 O LYS A 8 -6.253 24.075 0.646 1.00 0.00 O ATOM 5 CB LYS A 8 -5.199 25.817 2.748 1.00 0.00 C ATOM 6 CG LYS A 8 -4.522 27.003 3.416 1.00 0.00 C ATOM 7 CD LYS A 8 -5.395 27.608 4.505 1.00 0.00 C ATOM 8 CE LYS A 8 -5.596 26.645 5.664 1.00 0.00 C ATOM 9 NZ LYS A 8 -6.448 27.232 6.735 1.00 0.00 N ATOM 0 HA LYS A 8 -3.410 24.858 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.158 26.138 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.411 25.059 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.572 26.685 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.295 27.762 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.936 28.527 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.364 27.880 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.056 25.727 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.627 26.372 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.560 26.543 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.998 28.094 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.382 27.469 6.344 1.00 0.00 H new ATOM 23 N LYS A 9 -4.414 22.833 1.049 1.00 0.00 N ATOM 24 CA LYS A 9 -4.989 21.592 0.536 1.00 0.00 C ATOM 25 C LYS A 9 -5.348 21.720 -0.941 1.00 0.00 C ATOM 26 O LYS A 9 -6.308 22.401 -1.301 1.00 0.00 O ATOM 27 CB LYS A 9 -6.228 21.200 1.345 1.00 0.00 C ATOM 28 CG LYS A 9 -5.946 20.983 2.823 1.00 0.00 C ATOM 29 CD LYS A 9 -7.200 20.578 3.582 1.00 0.00 C ATOM 30 CE LYS A 9 -7.701 19.209 3.146 1.00 0.00 C ATOM 31 NZ LYS A 9 -8.925 18.803 3.891 1.00 0.00 N ATOM 0 H LYS A 9 -3.457 22.741 1.390 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.237 20.810 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.983 21.979 1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.651 20.287 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.185 20.211 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.539 21.898 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.991 20.566 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.981 21.321 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.915 19.224 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.917 18.468 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.235 17.865 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.715 18.764 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.681 19.496 3.720 1.00 0.00 H new ATOM 45 N ASP A 10 -4.570 21.059 -1.793 1.00 0.00 N ATOM 46 CA ASP A 10 -4.804 21.100 -3.231 1.00 0.00 C ATOM 47 C ASP A 10 -4.841 19.693 -3.821 1.00 0.00 C ATOM 48 O ASP A 10 -5.729 19.363 -4.608 1.00 0.00 O ATOM 49 CB ASP A 10 -3.720 21.930 -3.923 1.00 0.00 C ATOM 50 CG ASP A 10 -2.327 21.391 -3.669 1.00 0.00 C ATOM 51 OD1 ASP A 10 -1.715 21.785 -2.654 1.00 0.00 O ATOM 52 OD2 ASP A 10 -1.848 20.575 -4.483 1.00 0.00 O ATOM 0 H ASP A 10 -3.772 20.489 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.774 21.568 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.910 21.947 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.777 22.961 -3.573 1.00 0.00 H new ATOM 57 N GLU A 11 -3.872 18.870 -3.437 1.00 0.00 N ATOM 58 CA GLU A 11 -3.794 17.501 -3.929 1.00 0.00 C ATOM 59 C GLU A 11 -3.265 16.559 -2.851 1.00 0.00 C ATOM 60 O GLU A 11 -3.884 15.538 -2.549 1.00 0.00 O ATOM 61 CB GLU A 11 -2.894 17.439 -5.164 1.00 0.00 C ATOM 62 CG GLU A 11 -2.645 16.028 -5.666 1.00 0.00 C ATOM 63 CD GLU A 11 -3.915 15.338 -6.125 1.00 0.00 C ATOM 64 OE1 GLU A 11 -4.259 15.460 -7.319 1.00 0.00 O ATOM 65 OE2 GLU A 11 -4.565 14.674 -5.289 1.00 0.00 O ATOM 0 H GLU A 11 -3.130 19.128 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.800 17.179 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.348 18.025 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.937 17.906 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.935 16.061 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.184 15.440 -4.872 1.00 0.00 H new ATOM 72 N HIS A 12 -2.119 16.912 -2.278 1.00 0.00 N ATOM 73 CA HIS A 12 -1.493 16.102 -1.234 1.00 0.00 C ATOM 74 C HIS A 12 -1.162 14.704 -1.747 1.00 0.00 C ATOM 75 O HIS A 12 -2.031 13.835 -1.819 1.00 0.00 O ATOM 76 CB HIS A 12 -2.405 16.005 -0.008 1.00 0.00 C ATOM 77 CG HIS A 12 -2.484 17.272 0.784 1.00 0.00 C ATOM 78 ND1 HIS A 12 -1.685 17.527 1.879 1.00 0.00 N ATOM 79 CD2 HIS A 12 -3.276 18.361 0.638 1.00 0.00 C ATOM 80 CE1 HIS A 12 -1.983 18.716 2.373 1.00 0.00 C ATOM 81 NE2 HIS A 12 -2.945 19.243 1.638 1.00 0.00 N ATOM 0 H HIS A 12 -1.601 17.757 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.563 16.593 -0.946 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.408 15.727 -0.333 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.046 15.204 0.639 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.975 16.896 2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -4.028 18.509 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.519 19.178 3.232 1.00 0.00 H new ATOM 90 N LYS A 13 0.101 14.496 -2.105 1.00 0.00 N ATOM 91 CA LYS A 13 0.552 13.203 -2.608 1.00 0.00 C ATOM 92 C LYS A 13 1.211 12.388 -1.501 1.00 0.00 C ATOM 93 O LYS A 13 2.275 12.753 -0.999 1.00 0.00 O ATOM 94 CB LYS A 13 1.532 13.394 -3.767 1.00 0.00 C ATOM 95 CG LYS A 13 0.903 14.019 -5.001 1.00 0.00 C ATOM 96 CD LYS A 13 1.913 14.162 -6.127 1.00 0.00 C ATOM 97 CE LYS A 13 1.265 14.694 -7.394 1.00 0.00 C ATOM 98 NZ LYS A 13 2.252 14.863 -8.495 1.00 0.00 N ATOM 0 H LYS A 13 0.831 15.207 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.321 12.658 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.358 14.022 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.956 12.427 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.067 13.405 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.497 14.998 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.713 14.835 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.372 13.194 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.478 14.010 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.789 15.652 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.769 15.228 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.989 15.535 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.688 13.945 -8.714 1.00 0.00 H new ATOM 112 N GLN A 14 0.573 11.285 -1.126 1.00 0.00 N ATOM 113 CA GLN A 14 1.098 10.417 -0.078 1.00 0.00 C ATOM 114 C GLN A 14 2.297 9.619 -0.577 1.00 0.00 C ATOM 115 O GLN A 14 2.140 8.622 -1.281 1.00 0.00 O ATOM 116 CB GLN A 14 0.009 9.467 0.418 1.00 0.00 C ATOM 117 CG GLN A 14 -0.955 10.108 1.402 1.00 0.00 C ATOM 118 CD GLN A 14 -0.258 10.637 2.640 1.00 0.00 C ATOM 119 OE1 GLN A 14 -0.117 9.785 3.648 1.00 0.00 O flip ATOM 120 NE2 GLN A 14 0.153 11.796 2.687 1.00 0.00 N flip ATOM 0 H GLN A 14 -0.308 10.971 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 14 1.426 11.047 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.553 9.094 -0.438 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.479 8.605 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.482 10.925 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.707 9.376 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.023 12.416 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.624 12.136 3.525 1.00 0.00 H new ATOM 129 N GLN A 15 3.491 10.064 -0.206 1.00 0.00 N ATOM 130 CA GLN A 15 4.718 9.389 -0.615 1.00 0.00 C ATOM 131 C GLN A 15 5.598 9.083 0.592 1.00 0.00 C ATOM 132 O GLN A 15 5.831 9.946 1.439 1.00 0.00 O ATOM 133 CB GLN A 15 5.490 10.247 -1.617 1.00 0.00 C ATOM 134 CG GLN A 15 4.662 10.679 -2.816 1.00 0.00 C ATOM 135 CD GLN A 15 5.438 11.561 -3.774 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.104 10.942 -4.741 1.00 0.00 O flip ATOM 137 NE2 GLN A 15 5.439 12.786 -3.646 1.00 0.00 N flip ATOM 0 H GLN A 15 3.637 10.888 0.377 1.00 0.00 H new ATOM 0 HA GLN A 15 4.442 8.448 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.867 11.134 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.358 9.688 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.310 9.795 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.779 11.215 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.913 13.220 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.966 13.367 -4.298 1.00 0.00 H new ATOM 146 N GLY A 16 6.083 7.850 0.661 1.00 0.00 N ATOM 147 CA GLY A 16 6.933 7.444 1.765 1.00 0.00 C ATOM 148 C GLY A 16 7.363 5.993 1.663 1.00 0.00 C ATOM 149 O GLY A 16 7.839 5.552 0.617 1.00 0.00 O ATOM 0 H GLY A 16 5.903 7.121 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.817 8.081 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.401 7.597 2.704 1.00 0.00 H new ATOM 153 N GLU A 17 7.195 5.250 2.753 1.00 0.00 N ATOM 154 CA GLU A 17 7.568 3.839 2.783 1.00 0.00 C ATOM 155 C GLU A 17 6.422 2.982 3.310 1.00 0.00 C ATOM 156 O GLU A 17 5.643 3.422 4.156 1.00 0.00 O ATOM 157 CB GLU A 17 8.812 3.639 3.652 1.00 0.00 C ATOM 158 CG GLU A 17 10.017 4.438 3.183 1.00 0.00 C ATOM 159 CD GLU A 17 11.231 4.234 4.067 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.365 4.969 5.069 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.047 3.341 3.759 1.00 0.00 O ATOM 0 H GLU A 17 6.803 5.601 3.627 1.00 0.00 H new ATOM 0 HA GLU A 17 7.790 3.526 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.577 3.921 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.071 2.580 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.264 4.150 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.761 5.497 3.163 1.00 0.00 H new ATOM 168 N LEU A 18 6.326 1.756 2.806 1.00 0.00 N ATOM 169 CA LEU A 18 5.276 0.834 3.226 1.00 0.00 C ATOM 170 C LEU A 18 5.770 -0.609 3.212 1.00 0.00 C ATOM 171 O LEU A 18 6.847 -0.905 2.687 1.00 0.00 O ATOM 172 CB LEU A 18 4.052 0.971 2.317 1.00 0.00 C ATOM 173 CG LEU A 18 2.915 1.834 2.873 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.772 1.908 1.872 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.423 1.284 4.204 1.00 0.00 C ATOM 0 H LEU A 18 6.963 1.377 2.105 1.00 0.00 H new ATOM 0 HA LEU A 18 4.996 1.092 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.373 1.393 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.661 -0.025 2.109 1.00 0.00 H new ATOM 0 HG LEU A 18 3.297 2.841 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.971 2.524 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.131 2.348 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.394 0.904 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.616 1.912 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.057 0.267 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.244 1.279 4.921 1.00 0.00 H new ATOM 187 N TYR A 19 4.972 -1.502 3.793 1.00 0.00 N ATOM 188 CA TYR A 19 5.317 -2.916 3.853 1.00 0.00 C ATOM 189 C TYR A 19 4.150 -3.777 3.383 1.00 0.00 C ATOM 190 O TYR A 19 3.091 -3.805 4.010 1.00 0.00 O ATOM 191 CB TYR A 19 5.708 -3.308 5.279 1.00 0.00 C ATOM 192 CG TYR A 19 6.829 -2.472 5.851 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.573 -1.237 6.431 1.00 0.00 C ATOM 194 CD2 TYR A 19 8.144 -2.920 5.812 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.595 -0.470 6.957 1.00 0.00 C ATOM 196 CE2 TYR A 19 9.172 -2.159 6.335 1.00 0.00 C ATOM 197 CZ TYR A 19 8.892 -0.935 6.906 1.00 0.00 C ATOM 198 OH TYR A 19 9.912 -0.175 7.429 1.00 0.00 O ATOM 0 H TYR A 19 4.080 -1.268 4.229 1.00 0.00 H new ATOM 0 HA TYR A 19 6.166 -3.086 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.834 -3.218 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.006 -4.356 5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.558 -0.870 6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.366 -3.878 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.379 0.488 7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.189 -2.521 6.297 1.00 0.00 H new ATOM 0 HH TYR A 19 10.457 -0.727 8.027 1.00 0.00 H new ATOM 208 N MET A 20 4.353 -4.473 2.273 1.00 0.00 N ATOM 209 CA MET A 20 3.327 -5.340 1.707 1.00 0.00 C ATOM 210 C MET A 20 3.731 -6.804 1.841 1.00 0.00 C ATOM 211 O MET A 20 4.911 -7.143 1.747 1.00 0.00 O ATOM 212 CB MET A 20 3.092 -4.988 0.238 1.00 0.00 C ATOM 213 CG MET A 20 2.517 -3.595 0.032 1.00 0.00 C ATOM 214 SD MET A 20 2.929 -2.901 -1.581 1.00 0.00 S ATOM 215 CE MET A 20 2.198 -4.117 -2.674 1.00 0.00 C ATOM 0 H MET A 20 5.224 -4.454 1.743 1.00 0.00 H new ATOM 0 HA MET A 20 2.400 -5.186 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.036 -5.066 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.413 -5.721 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.433 -3.635 0.139 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.891 -2.933 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.956 -4.488 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.807 -4.947 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.386 -3.658 -3.238 1.00 0.00 H new ATOM 225 N TRP A 21 2.746 -7.669 2.061 1.00 0.00 N ATOM 226 CA TRP A 21 3.005 -9.096 2.217 1.00 0.00 C ATOM 227 C TRP A 21 3.555 -9.711 0.936 1.00 0.00 C ATOM 228 O TRP A 21 2.839 -9.847 -0.056 1.00 0.00 O ATOM 229 CB TRP A 21 1.727 -9.831 2.631 1.00 0.00 C ATOM 230 CG TRP A 21 1.875 -11.325 2.636 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.125 -12.229 1.933 1.00 0.00 C ATOM 232 CD2 TRP A 21 2.836 -12.090 3.373 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.561 -13.508 2.195 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.605 -13.446 3.075 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.870 -11.764 4.256 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.363 -14.468 3.628 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.623 -12.788 4.802 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.366 -14.123 4.486 1.00 0.00 C ATOM 0 H TRP A 21 1.763 -7.407 2.135 1.00 0.00 H new ATOM 0 HA TRP A 21 3.757 -9.205 2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.432 -9.499 3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.921 -9.555 1.951 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.311 -11.976 1.270 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.169 -14.362 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.077 -10.734 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.166 -15.502 3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.425 -12.550 5.485 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.973 -14.898 4.930 1.00 0.00 H new ATOM 249 N ASP A 22 4.831 -10.077 0.965 1.00 0.00 N ATOM 250 CA ASP A 22 5.467 -10.702 -0.184 1.00 0.00 C ATOM 251 C ASP A 22 5.141 -12.190 -0.192 1.00 0.00 C ATOM 252 O ASP A 22 5.740 -12.967 0.552 1.00 0.00 O ATOM 253 CB ASP A 22 6.982 -10.490 -0.142 1.00 0.00 C ATOM 254 CG ASP A 22 7.649 -10.813 -1.464 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.495 -10.021 -2.416 1.00 0.00 O ATOM 256 OD2 ASP A 22 8.326 -11.858 -1.547 1.00 0.00 O ATOM 0 H ASP A 22 5.443 -9.951 1.771 1.00 0.00 H new ATOM 0 HA ASP A 22 5.087 -10.243 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.194 -9.455 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.412 -11.115 0.641 1.00 0.00 H new ATOM 261 N SER A 23 4.178 -12.573 -1.028 1.00 0.00 N ATOM 262 CA SER A 23 3.740 -13.963 -1.123 1.00 0.00 C ATOM 263 C SER A 23 4.765 -14.835 -1.839 1.00 0.00 C ATOM 264 O SER A 23 4.551 -16.035 -2.017 1.00 0.00 O ATOM 265 CB SER A 23 2.396 -14.043 -1.849 1.00 0.00 C ATOM 266 OG SER A 23 1.947 -15.383 -1.947 1.00 0.00 O ATOM 0 H SER A 23 3.684 -11.936 -1.653 1.00 0.00 H new ATOM 0 HA SER A 23 3.632 -14.341 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.656 -13.446 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.492 -13.615 -2.847 1.00 0.00 H new ATOM 0 HG SER A 23 2.708 -15.992 -1.839 1.00 0.00 H new ATOM 272 N ILE A 24 5.875 -14.238 -2.251 1.00 0.00 N ATOM 273 CA ILE A 24 6.919 -14.985 -2.939 1.00 0.00 C ATOM 274 C ILE A 24 7.899 -15.584 -1.939 1.00 0.00 C ATOM 275 O ILE A 24 8.046 -16.803 -1.850 1.00 0.00 O ATOM 276 CB ILE A 24 7.688 -14.099 -3.941 1.00 0.00 C ATOM 277 CG1 ILE A 24 6.718 -13.450 -4.936 1.00 0.00 C ATOM 278 CG2 ILE A 24 8.743 -14.915 -4.675 1.00 0.00 C ATOM 279 CD1 ILE A 24 5.935 -14.444 -5.768 1.00 0.00 C ATOM 0 H ILE A 24 6.075 -13.246 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 24 6.428 -15.786 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 24 8.192 -13.308 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.018 -12.820 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.280 -12.796 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.275 -14.274 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.449 -15.329 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.261 -15.727 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.272 -13.908 -6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.625 -15.059 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.344 -15.082 -5.111 1.00 0.00 H new ATOM 291 N ASP A 25 8.567 -14.716 -1.190 1.00 0.00 N ATOM 292 CA ASP A 25 9.524 -15.153 -0.184 1.00 0.00 C ATOM 293 C ASP A 25 8.848 -15.252 1.174 1.00 0.00 C ATOM 294 O ASP A 25 9.449 -15.700 2.150 1.00 0.00 O ATOM 295 CB ASP A 25 10.702 -14.180 -0.111 1.00 0.00 C ATOM 296 CG ASP A 25 11.525 -14.171 -1.384 1.00 0.00 C ATOM 297 OD1 ASP A 25 11.164 -13.424 -2.317 1.00 0.00 O ATOM 298 OD2 ASP A 25 12.530 -14.909 -1.447 1.00 0.00 O ATOM 0 H ASP A 25 8.463 -13.704 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 25 9.899 -16.137 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.328 -13.175 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.341 -14.450 0.730 1.00 0.00 H new ATOM 303 N GLN A 26 7.588 -14.826 1.226 1.00 0.00 N ATOM 304 CA GLN A 26 6.820 -14.853 2.455 1.00 0.00 C ATOM 305 C GLN A 26 7.518 -14.048 3.538 1.00 0.00 C ATOM 306 O GLN A 26 8.085 -14.600 4.481 1.00 0.00 O ATOM 307 CB GLN A 26 6.570 -16.291 2.908 1.00 0.00 C ATOM 308 CG GLN A 26 5.250 -16.846 2.397 1.00 0.00 C ATOM 309 CD GLN A 26 5.340 -17.435 1.008 1.00 0.00 C ATOM 310 OE1 GLN A 26 6.376 -17.961 0.602 1.00 0.00 O ATOM 311 NE2 GLN A 26 4.239 -17.340 0.269 1.00 0.00 N ATOM 0 H GLN A 26 7.080 -14.457 0.422 1.00 0.00 H new ATOM 0 HA GLN A 26 5.851 -14.392 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.385 -16.925 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.579 -16.331 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.897 -17.613 3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.506 -16.050 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.405 -16.895 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.228 -17.713 -0.680 1.00 0.00 H new ATOM 320 N LYS A 27 7.474 -12.728 3.380 1.00 0.00 N ATOM 321 CA LYS A 27 8.102 -11.817 4.330 1.00 0.00 C ATOM 322 C LYS A 27 7.694 -10.375 4.046 1.00 0.00 C ATOM 323 O LYS A 27 7.066 -10.087 3.027 1.00 0.00 O ATOM 324 CB LYS A 27 9.626 -11.952 4.262 1.00 0.00 C ATOM 325 CG LYS A 27 10.233 -11.386 2.987 1.00 0.00 C ATOM 326 CD LYS A 27 11.735 -11.615 2.935 1.00 0.00 C ATOM 327 CE LYS A 27 12.379 -10.836 1.800 1.00 0.00 C ATOM 328 NZ LYS A 27 11.845 -11.246 0.471 1.00 0.00 N ATOM 0 H LYS A 27 7.008 -12.265 2.600 1.00 0.00 H new ATOM 0 HA LYS A 27 7.765 -12.081 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.066 -11.444 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.893 -13.006 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.763 -11.852 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.025 -10.318 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.183 -11.316 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.938 -12.678 2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.206 -9.770 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.458 -10.990 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.207 -10.603 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.149 -12.218 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.806 -11.204 0.486 1.00 0.00 H new ATOM 342 N TRP A 28 8.054 -9.470 4.951 1.00 0.00 N ATOM 343 CA TRP A 28 7.729 -8.057 4.791 1.00 0.00 C ATOM 344 C TRP A 28 8.885 -7.306 4.140 1.00 0.00 C ATOM 345 O TRP A 28 9.951 -7.149 4.737 1.00 0.00 O ATOM 346 CB TRP A 28 7.388 -7.427 6.143 1.00 0.00 C ATOM 347 CG TRP A 28 6.093 -7.915 6.716 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.931 -8.773 7.766 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.776 -7.577 6.267 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.593 -8.987 7.998 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.864 -8.266 7.089 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.276 -6.757 5.249 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.487 -8.163 6.925 1.00 0.00 C ATOM 354 CZ3 TRP A 28 2.908 -6.656 5.089 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.027 -7.355 5.922 1.00 0.00 C ATOM 0 H TRP A 28 8.571 -9.690 5.802 1.00 0.00 H new ATOM 0 HA TRP A 28 6.858 -7.983 4.140 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.192 -7.640 6.848 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.342 -6.344 6.030 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.736 -9.218 8.331 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.206 -9.585 8.728 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.947 -6.213 4.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.805 -8.702 7.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.511 -6.026 4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.963 -7.254 5.770 1.00 0.00 H new ATOM 366 N THR A 29 8.667 -6.843 2.913 1.00 0.00 N ATOM 367 CA THR A 29 9.692 -6.108 2.178 1.00 0.00 C ATOM 368 C THR A 29 9.451 -4.605 2.249 1.00 0.00 C ATOM 369 O THR A 29 8.312 -4.143 2.166 1.00 0.00 O ATOM 370 CB THR A 29 9.739 -6.533 0.699 1.00 0.00 C ATOM 371 OG1 THR A 29 8.443 -6.395 0.105 1.00 0.00 O ATOM 372 CG2 THR A 29 10.215 -7.972 0.560 1.00 0.00 C ATOM 0 H THR A 29 7.790 -6.964 2.406 1.00 0.00 H new ATOM 0 HA THR A 29 10.645 -6.346 2.650 1.00 0.00 H new ATOM 0 HB THR A 29 10.446 -5.883 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.484 -6.666 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.239 -8.247 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.215 -8.067 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.532 -8.634 1.092 1.00 0.00 H new ATOM 380 N ARG A 30 10.531 -3.847 2.403 1.00 0.00 N ATOM 381 CA ARG A 30 10.444 -2.394 2.481 1.00 0.00 C ATOM 382 C ARG A 30 10.547 -1.776 1.090 1.00 0.00 C ATOM 383 O ARG A 30 11.534 -1.979 0.383 1.00 0.00 O ATOM 384 CB ARG A 30 11.555 -1.847 3.380 1.00 0.00 C ATOM 385 CG ARG A 30 11.566 -0.331 3.486 1.00 0.00 C ATOM 386 CD ARG A 30 12.708 0.154 4.365 1.00 0.00 C ATOM 387 NE ARG A 30 12.581 -0.321 5.739 1.00 0.00 N ATOM 388 CZ ARG A 30 13.358 0.090 6.736 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.315 0.980 6.513 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.179 -0.391 7.960 1.00 0.00 N ATOM 0 H ARG A 30 11.479 -4.216 2.476 1.00 0.00 H new ATOM 0 HA ARG A 30 9.477 -2.129 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.444 -2.271 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.519 -2.182 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.660 0.104 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.617 0.014 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.656 -0.188 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.732 1.244 4.359 1.00 0.00 H new ATOM 0 HE ARG A 30 11.855 -1.007 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.457 1.352 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.909 1.293 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.445 -1.077 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.776 -0.075 8.724 1.00 0.00 H new ATOM 404 N HIS A 31 9.523 -1.021 0.703 1.00 0.00 N ATOM 405 CA HIS A 31 9.506 -0.378 -0.608 1.00 0.00 C ATOM 406 C HIS A 31 9.039 1.069 -0.511 1.00 0.00 C ATOM 407 O HIS A 31 8.113 1.385 0.237 1.00 0.00 O ATOM 408 CB HIS A 31 8.601 -1.151 -1.570 1.00 0.00 C ATOM 409 CG HIS A 31 7.396 -1.746 -0.914 1.00 0.00 C ATOM 410 ND1 HIS A 31 6.304 -1.161 -0.368 1.00 0.00 N flip ATOM 411 CD2 HIS A 31 7.218 -3.105 -0.764 1.00 0.00 C flip ATOM 412 CE1 HIS A 31 5.495 -2.169 0.096 1.00 0.00 C flip ATOM 413 NE2 HIS A 31 6.069 -3.331 -0.157 1.00 0.00 N flip ATOM 0 H HIS A 31 8.698 -0.840 1.275 1.00 0.00 H new ATOM 0 HA HIS A 31 10.526 -0.383 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.277 -0.482 -2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.179 -1.947 -2.038 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.117 -0.160 -0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.911 -3.866 -1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.543 -2.033 0.588 1.00 0.00 H new ATOM 422 N TYR A 32 9.687 1.942 -1.275 1.00 0.00 N ATOM 423 CA TYR A 32 9.334 3.355 -1.288 1.00 0.00 C ATOM 424 C TYR A 32 8.060 3.573 -2.098 1.00 0.00 C ATOM 425 O TYR A 32 8.094 3.605 -3.329 1.00 0.00 O ATOM 426 CB TYR A 32 10.479 4.186 -1.873 1.00 0.00 C ATOM 427 CG TYR A 32 10.260 5.679 -1.775 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.623 6.379 -0.631 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.691 6.388 -2.825 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.424 7.743 -0.536 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.490 7.753 -2.738 1.00 0.00 C ATOM 432 CZ TYR A 32 9.858 8.426 -1.592 1.00 0.00 C ATOM 433 OH TYR A 32 9.659 9.784 -1.502 1.00 0.00 O ATOM 0 H TYR A 32 10.460 1.695 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 32 9.158 3.678 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.403 3.929 -1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.614 3.916 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.068 5.848 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.401 5.865 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.710 8.272 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.047 8.290 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 32 9.252 10.111 -2.332 1.00 0.00 H new ATOM 443 N CYS A 33 6.940 3.713 -1.400 1.00 0.00 N ATOM 444 CA CYS A 33 5.653 3.915 -2.053 1.00 0.00 C ATOM 445 C CYS A 33 5.421 5.385 -2.386 1.00 0.00 C ATOM 446 O CYS A 33 6.049 6.272 -1.809 1.00 0.00 O ATOM 447 CB CYS A 33 4.521 3.397 -1.164 1.00 0.00 C ATOM 448 SG CYS A 33 4.363 1.596 -1.148 1.00 0.00 S ATOM 0 H CYS A 33 6.897 3.690 -0.381 1.00 0.00 H new ATOM 0 HA CYS A 33 5.663 3.354 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.685 3.746 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.580 3.831 -1.502 1.00 0.00 H new ATOM 0 HG CYS A 33 3.261 1.262 -0.544 1.00 0.00 H new ATOM 454 N ALA A 34 4.513 5.627 -3.325 1.00 0.00 N ATOM 455 CA ALA A 34 4.179 6.982 -3.747 1.00 0.00 C ATOM 456 C ALA A 34 2.878 6.990 -4.541 1.00 0.00 C ATOM 457 O ALA A 34 2.792 6.394 -5.614 1.00 0.00 O ATOM 458 CB ALA A 34 5.311 7.575 -4.573 1.00 0.00 C ATOM 0 H ALA A 34 3.992 4.897 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 34 4.042 7.596 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.046 8.587 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.221 7.604 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.478 6.959 -5.457 1.00 0.00 H new ATOM 464 N ILE A 35 1.869 7.670 -4.008 1.00 0.00 N ATOM 465 CA ILE A 35 0.571 7.747 -4.665 1.00 0.00 C ATOM 466 C ILE A 35 0.513 8.918 -5.639 1.00 0.00 C ATOM 467 O ILE A 35 0.594 10.079 -5.239 1.00 0.00 O ATOM 468 CB ILE A 35 -0.571 7.883 -3.636 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.620 6.646 -2.735 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.906 8.085 -4.342 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.627 6.750 -1.611 1.00 0.00 C ATOM 0 H ILE A 35 1.925 8.175 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 35 0.440 6.817 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.378 8.758 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.858 5.774 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.369 6.478 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.699 8.179 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.865 8.991 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.110 7.229 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.604 5.837 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.379 7.602 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.625 6.886 -2.028 1.00 0.00 H new ATOM 483 N ALA A 36 0.371 8.599 -6.923 1.00 0.00 N ATOM 484 CA ALA A 36 0.298 9.619 -7.962 1.00 0.00 C ATOM 485 C ALA A 36 -1.127 9.753 -8.483 1.00 0.00 C ATOM 486 O ALA A 36 -1.683 8.806 -9.038 1.00 0.00 O ATOM 487 CB ALA A 36 1.250 9.283 -9.100 1.00 0.00 C ATOM 0 H ALA A 36 0.304 7.641 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 36 0.596 10.574 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.185 10.053 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.270 9.236 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.978 8.319 -9.529 1.00 0.00 H new ATOM 493 N ASP A 37 -1.711 10.936 -8.295 1.00 0.00 N ATOM 494 CA ASP A 37 -3.077 11.204 -8.737 1.00 0.00 C ATOM 495 C ASP A 37 -4.077 10.346 -7.966 1.00 0.00 C ATOM 496 O ASP A 37 -4.732 10.823 -7.039 1.00 0.00 O ATOM 497 CB ASP A 37 -3.220 10.955 -10.241 1.00 0.00 C ATOM 498 CG ASP A 37 -4.617 11.253 -10.749 1.00 0.00 C ATOM 499 OD1 ASP A 37 -4.874 12.414 -11.131 1.00 0.00 O ATOM 500 OD2 ASP A 37 -5.453 10.326 -10.764 1.00 0.00 O ATOM 0 H ASP A 37 -1.256 11.726 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.293 12.253 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.502 11.574 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.971 9.916 -10.459 1.00 0.00 H new ATOM 505 N ALA A 38 -4.190 9.079 -8.353 1.00 0.00 N ATOM 506 CA ALA A 38 -5.107 8.157 -7.691 1.00 0.00 C ATOM 507 C ALA A 38 -4.479 6.777 -7.502 1.00 0.00 C ATOM 508 O ALA A 38 -4.880 6.022 -6.617 1.00 0.00 O ATOM 509 CB ALA A 38 -6.401 8.042 -8.484 1.00 0.00 C ATOM 0 H ALA A 38 -3.659 8.668 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.327 8.560 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.077 7.351 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.872 9.022 -8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.182 7.670 -9.485 1.00 0.00 H new ATOM 515 N LYS A 39 -3.496 6.450 -8.334 1.00 0.00 N ATOM 516 CA LYS A 39 -2.826 5.157 -8.247 1.00 0.00 C ATOM 517 C LYS A 39 -1.624 5.213 -7.313 1.00 0.00 C ATOM 518 O LYS A 39 -1.176 6.289 -6.920 1.00 0.00 O ATOM 519 CB LYS A 39 -2.375 4.698 -9.634 1.00 0.00 C ATOM 520 CG LYS A 39 -3.513 4.566 -10.629 1.00 0.00 C ATOM 521 CD LYS A 39 -3.052 3.901 -11.914 1.00 0.00 C ATOM 522 CE LYS A 39 -4.138 3.933 -12.975 1.00 0.00 C ATOM 523 NZ LYS A 39 -4.474 5.324 -13.385 1.00 0.00 N ATOM 0 H LYS A 39 -3.146 7.059 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.543 4.443 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.644 5.407 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.869 3.737 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.320 3.983 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.918 5.553 -10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.161 4.406 -12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.771 2.868 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.810 3.367 -13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.033 3.441 -12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.424 5.402 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.436 5.557 -13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.797 5.986 -12.955 1.00 0.00 H new ATOM 537 N LEU A 40 -1.109 4.039 -6.963 1.00 0.00 N ATOM 538 CA LEU A 40 0.051 3.935 -6.084 1.00 0.00 C ATOM 539 C LEU A 40 1.218 3.291 -6.825 1.00 0.00 C ATOM 540 O LEU A 40 1.017 2.433 -7.679 1.00 0.00 O ATOM 541 CB LEU A 40 -0.299 3.117 -4.838 1.00 0.00 C ATOM 542 CG LEU A 40 0.888 2.741 -3.950 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.558 3.988 -3.394 1.00 0.00 C ATOM 544 CD2 LEU A 40 0.440 1.826 -2.820 1.00 0.00 C ATOM 0 H LEU A 40 -1.479 3.142 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 40 0.344 4.938 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.014 3.683 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.801 2.202 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 40 1.616 2.205 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.400 3.699 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.916 4.607 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.839 4.553 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.298 1.569 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.308 2.337 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.009 0.916 -3.238 1.00 0.00 H new ATOM 556 N SER A 41 2.437 3.710 -6.503 1.00 0.00 N ATOM 557 CA SER A 41 3.623 3.160 -7.153 1.00 0.00 C ATOM 558 C SER A 41 4.672 2.749 -6.127 1.00 0.00 C ATOM 559 O SER A 41 5.218 3.589 -5.412 1.00 0.00 O ATOM 560 CB SER A 41 4.220 4.178 -8.125 1.00 0.00 C ATOM 561 OG SER A 41 4.525 5.396 -7.469 1.00 0.00 O ATOM 0 H SER A 41 2.630 4.424 -5.801 1.00 0.00 H new ATOM 0 HA SER A 41 3.317 2.273 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.124 3.768 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.517 4.365 -8.937 1.00 0.00 H new ATOM 0 HG SER A 41 3.886 5.544 -6.741 1.00 0.00 H new ATOM 567 N PHE A 42 4.950 1.451 -6.058 1.00 0.00 N ATOM 568 CA PHE A 42 5.945 0.931 -5.125 1.00 0.00 C ATOM 569 C PHE A 42 7.255 0.634 -5.844 1.00 0.00 C ATOM 570 O PHE A 42 7.262 0.024 -6.913 1.00 0.00 O ATOM 571 CB PHE A 42 5.430 -0.332 -4.426 1.00 0.00 C ATOM 572 CG PHE A 42 4.719 -1.290 -5.342 1.00 0.00 C ATOM 573 CD1 PHE A 42 5.430 -2.238 -6.058 1.00 0.00 C ATOM 574 CD2 PHE A 42 3.340 -1.244 -5.481 1.00 0.00 C ATOM 575 CE1 PHE A 42 4.781 -3.123 -6.899 1.00 0.00 C ATOM 576 CE2 PHE A 42 2.685 -2.126 -6.320 1.00 0.00 C ATOM 577 CZ PHE A 42 3.407 -3.066 -7.029 1.00 0.00 C ATOM 0 H PHE A 42 4.501 0.740 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 42 6.127 1.695 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.271 -0.846 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.752 -0.040 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.504 -2.287 -5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.772 -0.511 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.347 -3.857 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.611 -2.080 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.897 -3.756 -7.685 1.00 0.00 H new ATOM 587 N SER A 43 8.361 1.076 -5.256 1.00 0.00 N ATOM 588 CA SER A 43 9.679 0.855 -5.842 1.00 0.00 C ATOM 589 C SER A 43 10.301 -0.430 -5.307 1.00 0.00 C ATOM 590 O SER A 43 9.859 -0.969 -4.293 1.00 0.00 O ATOM 591 CB SER A 43 10.598 2.042 -5.545 1.00 0.00 C ATOM 592 OG SER A 43 11.885 1.843 -6.102 1.00 0.00 O ATOM 0 H SER A 43 8.372 1.589 -4.375 1.00 0.00 H new ATOM 0 HA SER A 43 9.559 0.759 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.160 2.955 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.682 2.180 -4.467 1.00 0.00 H new ATOM 0 HG SER A 43 11.816 1.799 -7.079 1.00 0.00 H new ATOM 598 N ASP A 44 11.327 -0.919 -5.995 1.00 0.00 N ATOM 599 CA ASP A 44 12.010 -2.141 -5.585 1.00 0.00 C ATOM 600 C ASP A 44 12.636 -1.969 -4.205 1.00 0.00 C ATOM 601 O ASP A 44 12.767 -0.849 -3.710 1.00 0.00 O ATOM 602 CB ASP A 44 13.088 -2.517 -6.603 1.00 0.00 C ATOM 603 CG ASP A 44 14.156 -1.449 -6.733 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.990 -0.544 -7.579 1.00 0.00 O ATOM 605 OD2 ASP A 44 15.158 -1.517 -5.991 1.00 0.00 O ATOM 0 H ASP A 44 11.704 -0.488 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 44 11.274 -2.943 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.552 -3.457 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.624 -2.684 -7.575 1.00 0.00 H new ATOM 610 N ASP A 45 13.017 -3.084 -3.586 1.00 0.00 N ATOM 611 CA ASP A 45 13.632 -3.054 -2.263 1.00 0.00 C ATOM 612 C ASP A 45 14.799 -2.070 -2.227 1.00 0.00 C ATOM 613 O ASP A 45 15.667 -2.091 -3.099 1.00 0.00 O ATOM 614 CB ASP A 45 14.116 -4.451 -1.873 1.00 0.00 C ATOM 615 CG ASP A 45 12.992 -5.465 -1.839 1.00 0.00 C ATOM 616 OD1 ASP A 45 12.653 -6.013 -2.909 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.450 -5.715 -0.742 1.00 0.00 O ATOM 0 H ASP A 45 12.910 -4.019 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 45 12.880 -2.723 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.876 -4.780 -2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.591 -4.407 -0.893 1.00 0.00 H new ATOM 622 N ILE A 46 14.808 -1.209 -1.216 1.00 0.00 N ATOM 623 CA ILE A 46 15.866 -0.216 -1.066 1.00 0.00 C ATOM 624 C ILE A 46 16.977 -0.726 -0.154 1.00 0.00 C ATOM 625 O ILE A 46 17.877 0.024 0.224 1.00 0.00 O ATOM 626 CB ILE A 46 15.318 1.109 -0.502 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.625 0.868 0.842 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.358 1.747 -1.496 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.155 2.136 1.522 1.00 0.00 C ATOM 0 H ILE A 46 14.095 -1.178 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 46 16.273 -0.037 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 46 16.151 1.794 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.769 0.211 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.312 0.344 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.978 2.682 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.882 1.947 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.526 1.069 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.674 1.885 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.009 2.786 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.442 2.651 0.878 1.00 0.00 H new ATOM 641 N GLU A 47 16.908 -2.008 0.194 1.00 0.00 N ATOM 642 CA GLU A 47 17.908 -2.620 1.063 1.00 0.00 C ATOM 643 C GLU A 47 17.938 -4.133 0.876 1.00 0.00 C ATOM 644 O GLU A 47 19.000 -4.754 0.936 1.00 0.00 O ATOM 645 CB GLU A 47 17.620 -2.277 2.525 1.00 0.00 C ATOM 646 CG GLU A 47 16.184 -2.545 2.944 1.00 0.00 C ATOM 647 CD GLU A 47 15.941 -2.261 4.413 1.00 0.00 C ATOM 648 OE1 GLU A 47 15.628 -1.100 4.749 1.00 0.00 O ATOM 649 OE2 GLU A 47 16.063 -3.201 5.227 1.00 0.00 O ATOM 0 H GLU A 47 16.171 -2.643 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 47 18.885 -2.221 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.289 -2.854 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.848 -1.225 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.514 -1.930 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.936 -3.585 2.733 1.00 0.00 H new ATOM 656 N GLN A 48 16.768 -4.721 0.648 1.00 0.00 N ATOM 657 CA GLN A 48 16.659 -6.162 0.451 1.00 0.00 C ATOM 658 C GLN A 48 16.526 -6.496 -1.032 1.00 0.00 C ATOM 659 O GLN A 48 15.755 -7.377 -1.414 1.00 0.00 O ATOM 660 CB GLN A 48 15.456 -6.712 1.221 1.00 0.00 C ATOM 661 CG GLN A 48 15.540 -6.488 2.722 1.00 0.00 C ATOM 662 CD GLN A 48 16.745 -7.166 3.346 1.00 0.00 C ATOM 663 OE1 GLN A 48 17.207 -8.201 2.866 1.00 0.00 O ATOM 664 NE2 GLN A 48 17.260 -6.584 4.422 1.00 0.00 N ATOM 0 H GLN A 48 15.881 -4.221 0.595 1.00 0.00 H new ATOM 0 HA GLN A 48 17.568 -6.629 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.548 -6.243 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.368 -7.781 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.585 -5.418 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.632 -6.864 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.845 -5.726 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.071 -6.994 4.885 1.00 0.00 H new ATOM 673 N THR A 49 17.286 -5.787 -1.863 1.00 0.00 N ATOM 674 CA THR A 49 17.258 -5.999 -3.306 1.00 0.00 C ATOM 675 C THR A 49 17.413 -7.476 -3.656 1.00 0.00 C ATOM 676 O THR A 49 18.337 -8.141 -3.189 1.00 0.00 O ATOM 677 CB THR A 49 18.368 -5.200 -4.012 1.00 0.00 C ATOM 678 OG1 THR A 49 19.651 -5.588 -3.505 1.00 0.00 O ATOM 679 CG2 THR A 49 18.170 -3.705 -3.814 1.00 0.00 C ATOM 0 H THR A 49 17.931 -5.058 -1.559 1.00 0.00 H new ATOM 0 HA THR A 49 16.286 -5.649 -3.654 1.00 0.00 H new ATOM 0 HB THR A 49 18.318 -5.418 -5.079 1.00 0.00 H new ATOM 0 HG1 THR A 49 19.623 -6.528 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.967 -3.162 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.207 -3.408 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.194 -3.473 -2.749 1.00 0.00 H new ATOM 687 N MET A 50 16.499 -7.979 -4.480 1.00 0.00 N ATOM 688 CA MET A 50 16.529 -9.375 -4.898 1.00 0.00 C ATOM 689 C MET A 50 17.266 -9.529 -6.225 1.00 0.00 C ATOM 690 O MET A 50 17.139 -10.548 -6.902 1.00 0.00 O ATOM 691 CB MET A 50 15.105 -9.919 -5.029 1.00 0.00 C ATOM 692 CG MET A 50 14.319 -9.892 -3.728 1.00 0.00 C ATOM 693 SD MET A 50 12.639 -10.518 -3.918 1.00 0.00 S ATOM 694 CE MET A 50 12.960 -12.182 -4.499 1.00 0.00 C ATOM 0 H MET A 50 15.727 -7.439 -4.872 1.00 0.00 H new ATOM 0 HA MET A 50 17.062 -9.945 -4.137 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.570 -9.336 -5.779 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.149 -10.945 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 50 14.842 -10.488 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.281 -8.870 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.029 -12.749 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.373 -12.142 -5.507 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.673 -12.668 -3.834 1.00 0.00 H new ATOM 704 N GLU A 51 18.040 -8.508 -6.585 1.00 0.00 N ATOM 705 CA GLU A 51 18.797 -8.523 -7.831 1.00 0.00 C ATOM 706 C GLU A 51 19.712 -9.741 -7.906 1.00 0.00 C ATOM 707 O GLU A 51 20.715 -9.821 -7.196 1.00 0.00 O ATOM 708 CB GLU A 51 19.627 -7.244 -7.963 1.00 0.00 C ATOM 709 CG GLU A 51 18.787 -5.983 -8.089 1.00 0.00 C ATOM 710 CD GLU A 51 19.630 -4.724 -8.145 1.00 0.00 C ATOM 711 OE1 GLU A 51 20.020 -4.320 -9.261 1.00 0.00 O ATOM 712 OE2 GLU A 51 19.903 -4.144 -7.074 1.00 0.00 O ATOM 0 H GLU A 51 18.159 -7.660 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 51 18.084 -8.577 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.277 -7.152 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.273 -7.329 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.175 -6.047 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.103 -5.920 -7.243 1.00 0.00 H new ATOM 719 N GLU A 52 19.358 -10.688 -8.769 1.00 0.00 N ATOM 720 CA GLU A 52 20.150 -11.899 -8.944 1.00 0.00 C ATOM 721 C GLU A 52 21.356 -11.621 -9.832 1.00 0.00 C ATOM 722 O GLU A 52 22.500 -11.662 -9.379 1.00 0.00 O ATOM 723 CB GLU A 52 19.294 -13.011 -9.555 1.00 0.00 C ATOM 724 CG GLU A 52 20.025 -14.336 -9.695 1.00 0.00 C ATOM 725 CD GLU A 52 19.152 -15.424 -10.288 1.00 0.00 C ATOM 726 OE1 GLU A 52 18.476 -16.132 -9.512 1.00 0.00 O ATOM 727 OE2 GLU A 52 19.144 -15.568 -11.529 1.00 0.00 O ATOM 0 H GLU A 52 18.527 -10.639 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 52 20.503 -12.225 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.409 -13.158 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.947 -12.692 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.904 -14.197 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.382 -14.655 -8.716 1.00 0.00 H new ATOM 734 N ASP A 53 21.088 -11.339 -11.101 1.00 0.00 N ATOM 735 CA ASP A 53 22.143 -11.042 -12.062 1.00 0.00 C ATOM 736 C ASP A 53 22.244 -9.538 -12.292 1.00 0.00 C ATOM 737 O ASP A 53 22.919 -9.083 -13.216 1.00 0.00 O ATOM 738 CB ASP A 53 21.873 -11.758 -13.386 1.00 0.00 C ATOM 739 CG ASP A 53 21.813 -13.264 -13.229 1.00 0.00 C ATOM 740 OD1 ASP A 53 22.873 -13.916 -13.336 1.00 0.00 O ATOM 741 OD2 ASP A 53 20.705 -13.793 -12.998 1.00 0.00 O ATOM 0 H ASP A 53 20.145 -11.310 -11.490 1.00 0.00 H new ATOM 0 HA ASP A 53 23.090 -11.399 -11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 53 20.931 -11.401 -13.803 1.00 0.00 H new ATOM 0 HB3 ASP A 53 22.655 -11.501 -14.100 1.00 0.00 H new ATOM 746 N ASN A 54 21.567 -8.775 -11.439 1.00 0.00 N ATOM 747 CA ASN A 54 21.565 -7.318 -11.534 1.00 0.00 C ATOM 748 C ASN A 54 21.051 -6.857 -12.898 1.00 0.00 C ATOM 749 O ASN A 54 21.802 -6.295 -13.695 1.00 0.00 O ATOM 750 CB ASN A 54 22.971 -6.766 -11.288 1.00 0.00 C ATOM 751 CG ASN A 54 23.540 -7.204 -9.953 1.00 0.00 C ATOM 752 OD1 ASN A 54 23.359 -6.534 -8.938 1.00 0.00 O ATOM 753 ND2 ASN A 54 24.233 -8.337 -9.950 1.00 0.00 N ATOM 0 H ASN A 54 21.009 -9.144 -10.669 1.00 0.00 H new ATOM 0 HA ASN A 54 20.893 -6.932 -10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 23.633 -7.097 -12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 54 22.943 -5.677 -11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 54 24.640 -8.683 -9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 54 24.358 -8.861 -10.816 1.00 0.00 H new ATOM 760 N PRO A 55 19.757 -7.096 -13.185 1.00 0.00 N ATOM 761 CA PRO A 55 19.136 -6.701 -14.449 1.00 0.00 C ATOM 762 C PRO A 55 18.805 -5.213 -14.490 1.00 0.00 C ATOM 763 O PRO A 55 17.981 -4.774 -15.294 1.00 0.00 O ATOM 764 CB PRO A 55 17.845 -7.534 -14.504 1.00 0.00 C ATOM 765 CG PRO A 55 17.874 -8.427 -13.304 1.00 0.00 C ATOM 766 CD PRO A 55 18.796 -7.778 -12.314 1.00 0.00 C ATOM 0 HA PRO A 55 19.803 -6.874 -15.294 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.965 -6.890 -14.489 1.00 0.00 H new ATOM 0 HB3 PRO A 55 17.797 -8.118 -15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.875 -8.546 -12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.229 -9.423 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.269 -7.080 -11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.280 -8.510 -11.668 1.00 0.00 H new ATOM 774 N LEU A 56 19.452 -4.442 -13.619 1.00 0.00 N ATOM 775 CA LEU A 56 19.227 -3.002 -13.545 1.00 0.00 C ATOM 776 C LEU A 56 17.772 -2.695 -13.205 1.00 0.00 C ATOM 777 O LEU A 56 16.904 -2.702 -14.078 1.00 0.00 O ATOM 778 CB LEU A 56 19.611 -2.333 -14.866 1.00 0.00 C ATOM 779 CG LEU A 56 19.468 -0.810 -14.885 1.00 0.00 C ATOM 780 CD1 LEU A 56 20.488 -0.166 -13.957 1.00 0.00 C ATOM 781 CD2 LEU A 56 19.620 -0.277 -16.302 1.00 0.00 C ATOM 0 H LEU A 56 20.139 -4.793 -12.952 1.00 0.00 H new ATOM 0 HA LEU A 56 19.857 -2.602 -12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 56 20.645 -2.589 -15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.993 -2.751 -15.661 1.00 0.00 H new ATOM 0 HG LEU A 56 18.471 -0.553 -14.528 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.371 0.917 -13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.330 -0.523 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 21.494 -0.430 -14.283 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.515 0.808 -16.296 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.604 -0.544 -16.688 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.850 -0.712 -16.939 1.00 0.00 H new ATOM 793 N GLY A 57 17.513 -2.429 -11.928 1.00 0.00 N ATOM 794 CA GLY A 57 16.163 -2.125 -11.490 1.00 0.00 C ATOM 795 C GLY A 57 15.827 -0.653 -11.614 1.00 0.00 C ATOM 796 O GLY A 57 16.682 0.207 -11.393 1.00 0.00 O ATOM 0 H GLY A 57 18.215 -2.419 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.454 -2.706 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.044 -2.435 -10.452 1.00 0.00 H new ATOM 800 N SER A 58 14.580 -0.361 -11.968 1.00 0.00 N ATOM 801 CA SER A 58 14.129 1.019 -12.120 1.00 0.00 C ATOM 802 C SER A 58 13.397 1.491 -10.868 1.00 0.00 C ATOM 803 O SER A 58 13.270 0.747 -9.894 1.00 0.00 O ATOM 804 CB SER A 58 13.214 1.146 -13.339 1.00 0.00 C ATOM 805 OG SER A 58 13.890 0.771 -14.527 1.00 0.00 O ATOM 0 H SER A 58 13.863 -1.062 -12.155 1.00 0.00 H new ATOM 0 HA SER A 58 15.006 1.649 -12.266 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.334 0.517 -13.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.861 2.174 -13.427 1.00 0.00 H new ATOM 0 HG SER A 58 13.283 0.860 -15.291 1.00 0.00 H new ATOM 811 N LEU A 59 12.916 2.729 -10.900 1.00 0.00 N ATOM 812 CA LEU A 59 12.196 3.298 -9.766 1.00 0.00 C ATOM 813 C LEU A 59 10.829 2.639 -9.613 1.00 0.00 C ATOM 814 O LEU A 59 10.599 1.877 -8.674 1.00 0.00 O ATOM 815 CB LEU A 59 12.038 4.814 -9.946 1.00 0.00 C ATOM 816 CG LEU A 59 11.844 5.620 -8.655 1.00 0.00 C ATOM 817 CD1 LEU A 59 10.538 5.247 -7.968 1.00 0.00 C ATOM 818 CD2 LEU A 59 13.021 5.414 -7.712 1.00 0.00 C ATOM 0 H LEU A 59 13.011 3.357 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 59 12.772 3.109 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.920 5.194 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.184 4.997 -10.599 1.00 0.00 H new ATOM 0 HG LEU A 59 11.795 6.676 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.426 5.833 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.703 5.454 -8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.548 4.186 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.864 5.994 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.104 4.357 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.939 5.743 -8.199 1.00 0.00 H new ATOM 830 N CYS A 60 9.925 2.937 -10.542 1.00 0.00 N ATOM 831 CA CYS A 60 8.581 2.372 -10.510 1.00 0.00 C ATOM 832 C CYS A 60 8.617 0.865 -10.750 1.00 0.00 C ATOM 833 O CYS A 60 8.713 0.409 -11.890 1.00 0.00 O ATOM 834 CB CYS A 60 7.694 3.050 -11.556 1.00 0.00 C ATOM 835 SG CYS A 60 8.367 3.017 -13.234 1.00 0.00 S ATOM 0 H CYS A 60 10.099 3.566 -11.326 1.00 0.00 H new ATOM 0 HA CYS A 60 8.162 2.552 -9.520 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.718 2.564 -11.558 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.533 4.087 -11.262 1.00 0.00 H new ATOM 0 HG CYS A 60 8.937 1.869 -13.450 1.00 0.00 H new ATOM 841 N ARG A 61 8.547 0.096 -9.668 1.00 0.00 N ATOM 842 CA ARG A 61 8.569 -1.359 -9.760 1.00 0.00 C ATOM 843 C ARG A 61 7.181 -1.899 -10.090 1.00 0.00 C ATOM 844 O ARG A 61 7.040 -3.003 -10.615 1.00 0.00 O ATOM 845 CB ARG A 61 9.070 -1.966 -8.446 1.00 0.00 C ATOM 846 CG ARG A 61 9.236 -3.475 -8.492 1.00 0.00 C ATOM 847 CD ARG A 61 10.371 -3.886 -9.418 1.00 0.00 C ATOM 848 NE ARG A 61 10.509 -5.337 -9.505 1.00 0.00 N ATOM 849 CZ ARG A 61 11.460 -5.947 -10.205 1.00 0.00 C ATOM 850 NH1 ARG A 61 12.355 -5.234 -10.877 1.00 0.00 N ATOM 851 NH2 ARG A 61 11.518 -7.271 -10.234 1.00 0.00 N ATOM 0 H ARG A 61 8.475 0.457 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 61 9.250 -1.641 -10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.027 -1.512 -8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.372 -1.711 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.431 -3.851 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.306 -3.934 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.192 -3.479 -10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.305 -3.454 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 61 9.837 -5.915 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.314 -4.215 -10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.084 -5.705 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.832 -7.823 -9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.248 -7.738 -10.772 1.00 0.00 H new ATOM 865 N GLY A 62 6.159 -1.108 -9.778 1.00 0.00 N ATOM 866 CA GLY A 62 4.792 -1.516 -10.046 1.00 0.00 C ATOM 867 C GLY A 62 3.784 -0.462 -9.630 1.00 0.00 C ATOM 868 O GLY A 62 4.118 0.471 -8.901 1.00 0.00 O ATOM 0 H GLY A 62 6.254 -0.190 -9.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.679 -1.723 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.582 -2.445 -9.516 1.00 0.00 H new ATOM 872 N ILE A 63 2.547 -0.612 -10.093 1.00 0.00 N ATOM 873 CA ILE A 63 1.489 0.335 -9.766 1.00 0.00 C ATOM 874 C ILE A 63 0.215 -0.385 -9.333 1.00 0.00 C ATOM 875 O ILE A 63 -0.143 -1.425 -9.887 1.00 0.00 O ATOM 876 CB ILE A 63 1.166 1.259 -10.960 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.400 2.078 -11.346 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.005 2.177 -10.624 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.184 2.974 -12.547 1.00 0.00 C ATOM 0 H ILE A 63 2.253 -1.381 -10.696 1.00 0.00 H new ATOM 0 HA ILE A 63 1.857 0.941 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 63 0.881 0.641 -11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.699 2.691 -10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.226 1.398 -11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.219 2.821 -11.477 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.885 1.576 -10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.250 2.791 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.101 3.523 -12.761 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.915 2.366 -13.411 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.380 3.679 -12.335 1.00 0.00 H new ATOM 891 N LEU A 64 -0.463 0.179 -8.339 1.00 0.00 N ATOM 892 CA LEU A 64 -1.699 -0.393 -7.824 1.00 0.00 C ATOM 893 C LEU A 64 -2.857 0.571 -8.046 1.00 0.00 C ATOM 894 O LEU A 64 -3.098 1.465 -7.233 1.00 0.00 O ATOM 895 CB LEU A 64 -1.549 -0.707 -6.332 1.00 0.00 C ATOM 896 CG LEU A 64 -2.530 -1.736 -5.756 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.622 -2.964 -6.652 1.00 0.00 C ATOM 898 CD2 LEU A 64 -2.100 -2.134 -4.355 1.00 0.00 C ATOM 0 H LEU A 64 -0.173 1.038 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.909 -1.319 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.534 -1.065 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.660 0.222 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.519 -1.280 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.324 -3.677 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.969 -2.667 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.639 -3.428 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.802 -2.865 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.102 -2.571 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.087 -1.252 -3.714 1.00 0.00 H new ATOM 910 N ASP A 65 -3.558 0.397 -9.163 1.00 0.00 N ATOM 911 CA ASP A 65 -4.689 1.252 -9.498 1.00 0.00 C ATOM 912 C ASP A 65 -5.747 1.213 -8.399 1.00 0.00 C ATOM 913 O ASP A 65 -6.497 0.244 -8.278 1.00 0.00 O ATOM 914 CB ASP A 65 -5.299 0.821 -10.834 1.00 0.00 C ATOM 915 CG ASP A 65 -5.473 -0.682 -10.934 1.00 0.00 C ATOM 916 OD1 ASP A 65 -4.525 -1.359 -11.384 1.00 0.00 O ATOM 917 OD2 ASP A 65 -6.554 -1.181 -10.561 1.00 0.00 O ATOM 0 H ASP A 65 -3.361 -0.330 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.327 2.276 -9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.267 1.305 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.662 1.165 -11.649 1.00 0.00 H new ATOM 922 N LEU A 66 -5.801 2.275 -7.601 1.00 0.00 N ATOM 923 CA LEU A 66 -6.762 2.367 -6.507 1.00 0.00 C ATOM 924 C LEU A 66 -8.122 2.843 -7.009 1.00 0.00 C ATOM 925 O LEU A 66 -8.879 3.474 -6.272 1.00 0.00 O ATOM 926 CB LEU A 66 -6.240 3.322 -5.430 1.00 0.00 C ATOM 927 CG LEU A 66 -4.890 2.938 -4.821 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.375 4.051 -3.921 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.002 1.633 -4.047 1.00 0.00 C ATOM 0 H LEU A 66 -5.189 3.086 -7.692 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.885 1.372 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.156 4.320 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.978 3.381 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.177 2.794 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.414 3.760 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.253 4.964 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.089 4.228 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.031 1.378 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.731 1.747 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.324 0.838 -4.719 1.00 0.00 H new ATOM 941 N ASN A 67 -8.430 2.528 -8.261 1.00 0.00 N ATOM 942 CA ASN A 67 -9.699 2.929 -8.859 1.00 0.00 C ATOM 943 C ASN A 67 -10.614 1.726 -9.070 1.00 0.00 C ATOM 944 O ASN A 67 -11.589 1.805 -9.818 1.00 0.00 O ATOM 945 CB ASN A 67 -9.453 3.636 -10.193 1.00 0.00 C ATOM 946 CG ASN A 67 -8.612 4.887 -10.038 1.00 0.00 C ATOM 947 OD1 ASN A 67 -8.654 5.555 -9.004 1.00 0.00 O ATOM 948 ND2 ASN A 67 -7.838 5.212 -11.068 1.00 0.00 N ATOM 0 H ASN A 67 -7.820 1.997 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.192 3.617 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.955 2.950 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.410 3.899 -10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.248 6.043 -11.021 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.834 4.631 -11.906 1.00 0.00 H new ATOM 955 N THR A 68 -10.303 0.616 -8.406 1.00 0.00 N ATOM 956 CA THR A 68 -11.110 -0.594 -8.533 1.00 0.00 C ATOM 957 C THR A 68 -10.792 -1.603 -7.432 1.00 0.00 C ATOM 958 O THR A 68 -11.011 -2.801 -7.599 1.00 0.00 O ATOM 959 CB THR A 68 -10.901 -1.262 -9.907 1.00 0.00 C ATOM 960 OG1 THR A 68 -11.779 -2.386 -10.046 1.00 0.00 O ATOM 961 CG2 THR A 68 -9.459 -1.717 -10.075 1.00 0.00 C ATOM 0 H THR A 68 -9.504 0.529 -7.779 1.00 0.00 H new ATOM 0 HA THR A 68 -12.151 -0.286 -8.437 1.00 0.00 H new ATOM 0 HB THR A 68 -11.127 -0.527 -10.680 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.578 -3.046 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.337 -2.185 -11.052 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.795 -0.856 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.211 -2.436 -9.294 1.00 0.00 H new ATOM 969 N TYR A 69 -10.278 -1.118 -6.306 1.00 0.00 N ATOM 970 CA TYR A 69 -9.947 -1.990 -5.183 1.00 0.00 C ATOM 971 C TYR A 69 -10.829 -1.677 -3.975 1.00 0.00 C ATOM 972 O TYR A 69 -11.569 -0.695 -3.970 1.00 0.00 O ATOM 973 CB TYR A 69 -8.478 -1.833 -4.779 1.00 0.00 C ATOM 974 CG TYR A 69 -7.532 -2.787 -5.473 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.304 -4.057 -4.960 1.00 0.00 C ATOM 976 CD2 TYR A 69 -6.860 -2.417 -6.631 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.436 -4.933 -5.580 1.00 0.00 C ATOM 978 CE2 TYR A 69 -5.991 -3.288 -7.260 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.782 -4.545 -6.731 1.00 0.00 C ATOM 980 OH TYR A 69 -4.916 -5.414 -7.352 1.00 0.00 O ATOM 0 H TYR A 69 -10.082 -0.130 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.123 -3.016 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.163 -0.811 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.393 -1.976 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.815 -4.365 -4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.019 -1.433 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.270 -5.917 -5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.478 -2.986 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.540 -4.987 -8.150 1.00 0.00 H new ATOM 990 N ASN A 70 -10.737 -2.524 -2.956 1.00 0.00 N ATOM 991 CA ASN A 70 -11.504 -2.345 -1.728 1.00 0.00 C ATOM 992 C ASN A 70 -10.589 -2.470 -0.513 1.00 0.00 C ATOM 993 O ASN A 70 -9.877 -3.460 -0.362 1.00 0.00 O ATOM 994 CB ASN A 70 -12.632 -3.376 -1.647 1.00 0.00 C ATOM 995 CG ASN A 70 -13.720 -3.121 -2.670 1.00 0.00 C ATOM 996 OD1 ASN A 70 -14.022 -1.974 -3.000 1.00 0.00 O ATOM 997 ND2 ASN A 70 -14.314 -4.193 -3.182 1.00 0.00 N ATOM 0 H ASN A 70 -10.135 -3.347 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.945 -1.348 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.220 -4.374 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.066 -3.359 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.052 -4.084 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.032 -5.125 -2.880 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.616 -1.469 0.357 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.767 -1.477 1.543 1.00 0.00 C ATOM 1006 C VAL A 71 -10.517 -2.008 2.762 1.00 0.00 C ATOM 1007 O VAL A 71 -11.675 -1.662 2.991 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.233 -0.067 1.855 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.220 -0.120 2.989 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.617 0.564 0.614 1.00 0.00 C ATOM 0 H VAL A 71 -11.212 -0.646 0.266 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.929 -2.139 1.326 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.071 0.554 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.853 0.885 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.695 -0.524 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.385 -0.759 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.246 1.560 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.791 -0.055 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.372 0.640 -0.169 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.842 -2.851 3.537 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.431 -3.434 4.738 1.00 0.00 C ATOM 1022 C VAL A 72 -9.417 -3.473 5.877 1.00 0.00 C ATOM 1023 O VAL A 72 -8.335 -4.043 5.739 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.959 -4.860 4.478 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.375 -4.813 3.924 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -10.034 -5.617 3.536 1.00 0.00 C ATOM 0 H VAL A 72 -8.883 -3.147 3.354 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.270 -2.798 5.021 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.981 -5.394 5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.730 -5.828 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.030 -4.319 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.380 -4.258 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.427 -6.620 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.971 -5.088 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.041 -5.686 3.979 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.776 -2.861 7.001 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.894 -2.813 8.162 1.00 0.00 C ATOM 1038 C LYS A 73 -8.855 -4.149 8.897 1.00 0.00 C ATOM 1039 O LYS A 73 -9.799 -4.509 9.601 1.00 0.00 O ATOM 1040 CB LYS A 73 -9.346 -1.710 9.122 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.519 -1.635 10.399 1.00 0.00 C ATOM 1042 CD LYS A 73 -9.137 -0.686 11.415 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.135 0.751 10.919 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.736 1.683 11.913 1.00 0.00 N ATOM 0 H LYS A 73 -10.672 -2.391 7.133 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.888 -2.597 7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.294 -0.750 8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.391 -1.875 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.433 -2.630 10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.509 -1.304 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.160 -0.996 11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.585 -0.748 12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.112 1.060 10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.689 0.812 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.716 2.652 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.721 1.404 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.192 1.644 12.799 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.760 -4.881 8.725 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.588 -6.165 9.391 1.00 0.00 C ATOM 1060 C ALA A 74 -7.154 -5.957 10.844 1.00 0.00 C ATOM 1061 O ALA A 74 -6.108 -5.352 11.100 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.566 -7.015 8.649 1.00 0.00 C ATOM 0 H ALA A 74 -6.979 -4.606 8.130 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.544 -6.689 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.449 -7.971 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.908 -7.188 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.608 -6.496 8.627 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.944 -6.457 11.816 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.647 -6.311 13.241 1.00 0.00 C ATOM 1070 C PRO A 75 -6.638 -7.338 13.749 1.00 0.00 C ATOM 1071 O PRO A 75 -5.537 -6.984 14.170 1.00 0.00 O ATOM 1072 CB PRO A 75 -9.008 -6.526 13.924 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.993 -6.791 12.826 1.00 0.00 C ATOM 1074 CD PRO A 75 -9.196 -7.191 11.619 1.00 0.00 C ATOM 0 HA PRO A 75 -7.193 -5.342 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.966 -7.364 14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.296 -5.648 14.501 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.687 -7.582 13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.590 -5.903 12.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.034 -8.268 11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.692 -6.907 10.691 1.00 0.00 H new ATOM 1082 N GLN A 76 -7.026 -8.610 13.710 1.00 0.00 N ATOM 1083 CA GLN A 76 -6.165 -9.695 14.175 1.00 0.00 C ATOM 1084 C GLN A 76 -4.787 -9.630 13.522 1.00 0.00 C ATOM 1085 O GLN A 76 -3.816 -10.177 14.045 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.817 -11.048 13.883 1.00 0.00 C ATOM 1087 CG GLN A 76 -6.025 -12.234 14.412 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.694 -13.562 14.117 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -7.919 -13.647 14.034 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -5.890 -14.607 13.960 1.00 0.00 N ATOM 0 H GLN A 76 -7.934 -8.916 13.360 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.036 -9.581 15.251 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.814 -11.063 14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.941 -11.157 12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.029 -12.227 13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.896 -12.128 15.489 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.880 -14.489 14.038 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.283 -15.527 13.762 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.708 -8.956 12.381 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.446 -8.836 11.677 1.00 0.00 C ATOM 1101 C GLY A 77 -3.374 -9.747 10.469 1.00 0.00 C ATOM 1102 O GLY A 77 -4.400 -10.081 9.877 1.00 0.00 O ATOM 0 H GLY A 77 -5.496 -8.490 11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.306 -7.803 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.628 -9.073 12.358 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.163 -10.151 10.102 1.00 0.00 N ATOM 1107 CA LYS A 78 -1.972 -11.027 8.956 1.00 0.00 C ATOM 1108 C LYS A 78 -0.729 -11.896 9.123 1.00 0.00 C ATOM 1109 O LYS A 78 -0.830 -13.105 9.331 1.00 0.00 O ATOM 1110 CB LYS A 78 -1.866 -10.200 7.681 1.00 0.00 C ATOM 1111 CG LYS A 78 -1.994 -11.022 6.413 1.00 0.00 C ATOM 1112 CD LYS A 78 -3.316 -11.778 6.353 1.00 0.00 C ATOM 1113 CE LYS A 78 -4.506 -10.845 6.500 1.00 0.00 C ATOM 1114 NZ LYS A 78 -5.799 -11.567 6.347 1.00 0.00 N ATOM 0 H LYS A 78 -1.302 -9.886 10.581 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.836 -11.687 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.642 -9.435 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.907 -9.681 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.912 -10.366 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.168 -11.731 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.387 -12.311 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.342 -12.528 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.472 -10.364 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.441 -10.054 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.537 -11.076 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.066 -11.591 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.698 -12.539 6.702 1.00 0.00 H new ATOM 1128 N ASN A 79 0.439 -11.272 9.031 1.00 0.00 N ATOM 1129 CA ASN A 79 1.701 -11.989 9.169 1.00 0.00 C ATOM 1130 C ASN A 79 2.530 -11.428 10.319 1.00 0.00 C ATOM 1131 O ASN A 79 3.324 -10.508 10.131 1.00 0.00 O ATOM 1132 CB ASN A 79 2.503 -11.906 7.867 1.00 0.00 C ATOM 1133 CG ASN A 79 1.714 -12.397 6.671 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.031 -11.622 6.002 1.00 0.00 O ATOM 1135 ND2 ASN A 79 1.806 -13.691 6.394 1.00 0.00 N ATOM 0 H ASN A 79 0.539 -10.271 8.861 1.00 0.00 H new ATOM 0 HA ASN A 79 1.471 -13.032 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.810 -10.874 7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.413 -12.497 7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.299 -14.080 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.384 -14.297 6.976 1.00 0.00 H new ATOM 1142 N GLN A 80 2.335 -11.983 11.513 1.00 0.00 N ATOM 1143 CA GLN A 80 3.069 -11.537 12.693 1.00 0.00 C ATOM 1144 C GLN A 80 2.850 -10.046 12.944 1.00 0.00 C ATOM 1145 O GLN A 80 3.560 -9.429 13.737 1.00 0.00 O ATOM 1146 CB GLN A 80 4.562 -11.822 12.525 1.00 0.00 C ATOM 1147 CG GLN A 80 4.899 -13.304 12.492 1.00 0.00 C ATOM 1148 CD GLN A 80 4.497 -14.023 13.764 1.00 0.00 C ATOM 1149 OE1 GLN A 80 3.380 -14.528 13.880 1.00 0.00 O ATOM 1150 NE2 GLN A 80 5.408 -14.075 14.729 1.00 0.00 N ATOM 0 H GLN A 80 1.676 -12.741 11.688 1.00 0.00 H new ATOM 0 HA GLN A 80 2.692 -12.089 13.554 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.910 -11.358 11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.107 -11.352 13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.397 -13.768 11.643 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.971 -13.425 12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.322 -13.643 14.591 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.194 -14.547 15.608 1.00 0.00 H new ATOM 1159 N LYS A 81 1.859 -9.478 12.264 1.00 0.00 N ATOM 1160 CA LYS A 81 1.546 -8.062 12.404 1.00 0.00 C ATOM 1161 C LYS A 81 0.290 -7.856 13.245 1.00 0.00 C ATOM 1162 O LYS A 81 -0.484 -8.788 13.462 1.00 0.00 O ATOM 1163 CB LYS A 81 1.354 -7.432 11.026 1.00 0.00 C ATOM 1164 CG LYS A 81 2.630 -7.358 10.210 1.00 0.00 C ATOM 1165 CD LYS A 81 3.631 -6.400 10.829 1.00 0.00 C ATOM 1166 CE LYS A 81 4.932 -6.381 10.048 1.00 0.00 C ATOM 1167 NZ LYS A 81 5.869 -5.339 10.550 1.00 0.00 N ATOM 0 H LYS A 81 1.258 -9.979 11.609 1.00 0.00 H new ATOM 0 HA LYS A 81 2.381 -7.579 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.612 -8.007 10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.952 -6.426 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.073 -8.351 10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.396 -7.036 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.207 -5.396 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.828 -6.693 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.409 -7.359 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.720 -6.200 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.745 -5.360 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.425 -4.402 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.093 -5.525 11.548 1.00 0.00 H new ATOM 1181 N SER A 82 0.098 -6.628 13.717 1.00 0.00 N ATOM 1182 CA SER A 82 -1.067 -6.292 14.528 1.00 0.00 C ATOM 1183 C SER A 82 -2.034 -5.419 13.735 1.00 0.00 C ATOM 1184 O SER A 82 -3.249 -5.608 13.792 1.00 0.00 O ATOM 1185 CB SER A 82 -0.635 -5.568 15.805 1.00 0.00 C ATOM 1186 OG SER A 82 0.044 -4.361 15.504 1.00 0.00 O ATOM 0 H SER A 82 0.735 -5.849 13.552 1.00 0.00 H new ATOM 0 HA SER A 82 -1.574 -7.217 14.802 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.510 -5.353 16.418 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.014 -6.217 16.392 1.00 0.00 H new ATOM 0 HG SER A 82 -0.609 -3.643 15.368 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.482 -4.461 12.998 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.285 -3.557 12.182 1.00 0.00 C ATOM 1194 C PHE A 83 -2.067 -3.852 10.700 1.00 0.00 C ATOM 1195 O PHE A 83 -0.995 -3.582 10.159 1.00 0.00 O ATOM 1196 CB PHE A 83 -1.915 -2.104 12.479 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.608 -1.830 13.924 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.564 -2.036 14.904 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.359 -1.360 14.298 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.280 -1.779 16.233 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.068 -1.102 15.624 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.031 -1.311 16.593 1.00 0.00 C ATOM 0 H PHE A 83 -0.478 -4.290 12.949 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.336 -3.712 12.426 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.048 -1.831 11.877 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.737 -1.460 12.165 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.542 -2.401 14.628 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.396 -1.193 13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.034 -1.944 16.989 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.910 -0.738 15.903 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.807 -1.109 17.630 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.085 -4.407 10.046 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.982 -4.743 8.629 1.00 0.00 C ATOM 1214 C VAL A 84 -4.206 -4.274 7.851 1.00 0.00 C ATOM 1215 O VAL A 84 -5.307 -4.207 8.389 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.812 -6.268 8.434 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.999 -6.666 6.975 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.452 -6.723 8.939 1.00 0.00 C ATOM 0 H VAL A 84 -3.984 -4.632 10.471 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.102 -4.227 8.244 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.586 -6.766 9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.873 -7.744 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.000 -6.385 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.258 -6.154 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.351 -7.798 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.667 -6.207 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.361 -6.490 10.000 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.994 -3.932 6.583 1.00 0.00 N ATOM 1229 CA PHE A 85 -5.072 -3.496 5.701 1.00 0.00 C ATOM 1230 C PHE A 85 -5.003 -4.275 4.394 1.00 0.00 C ATOM 1231 O PHE A 85 -3.990 -4.241 3.695 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.985 -1.995 5.420 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.564 -1.135 6.506 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.977 -1.087 7.760 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.691 -0.368 6.267 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.505 -0.287 8.755 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.225 0.431 7.258 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.631 0.473 8.504 1.00 0.00 C ATOM 0 H PHE A 85 -3.075 -3.949 6.140 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.024 -3.690 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.940 -1.723 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.503 -1.780 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.098 -1.681 7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.158 -0.395 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.038 -0.256 9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.106 1.023 7.059 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.046 1.099 9.280 1.00 0.00 H new ATOM 1248 N ILE A 86 -6.080 -4.974 4.067 1.00 0.00 N ATOM 1249 CA ILE A 86 -6.122 -5.781 2.855 1.00 0.00 C ATOM 1250 C ILE A 86 -6.858 -5.080 1.719 1.00 0.00 C ATOM 1251 O ILE A 86 -7.863 -4.404 1.934 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.812 -7.133 3.117 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -6.134 -7.862 4.276 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.795 -7.992 1.860 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.929 -9.045 4.785 1.00 0.00 C ATOM 0 H ILE A 86 -6.935 -4.999 4.622 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.085 -5.938 2.560 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.850 -6.945 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.150 -8.205 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.975 -7.160 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.286 -8.944 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.323 -7.475 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.764 -8.174 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.392 -9.518 5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.903 -8.705 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.065 -9.766 3.979 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.335 -5.244 0.509 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.951 -4.672 -0.677 1.00 0.00 C ATOM 1269 C LEU A 87 -7.656 -5.774 -1.456 1.00 0.00 C ATOM 1270 O LEU A 87 -7.092 -6.846 -1.678 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.907 -3.981 -1.559 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.630 -2.516 -1.215 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.573 -1.942 -2.144 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.908 -1.696 -1.300 1.00 0.00 C ATOM 0 H LEU A 87 -5.481 -5.772 0.326 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.677 -3.919 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.972 -4.537 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.236 -4.038 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.256 -2.469 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.388 -0.899 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.649 -2.511 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.922 -2.004 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.691 -0.657 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.309 -1.751 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.641 -2.091 -0.597 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.885 -5.506 -1.871 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.669 -6.489 -2.602 1.00 0.00 C ATOM 1288 C GLU A 88 -10.070 -5.945 -3.968 1.00 0.00 C ATOM 1289 O GLU A 88 -10.902 -5.043 -4.063 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.912 -6.876 -1.798 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.595 -7.416 -0.411 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.842 -7.786 0.368 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.283 -8.950 0.264 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.377 -6.912 1.083 1.00 0.00 O ATOM 0 H GLU A 88 -9.360 -4.617 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.057 -7.378 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.558 -6.003 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.474 -7.628 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.955 -8.293 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.031 -6.668 0.146 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.487 -6.490 -5.048 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.780 -6.039 -6.410 1.00 0.00 C ATOM 1303 C PRO A 89 -11.248 -6.207 -6.776 1.00 0.00 C ATOM 1304 O PRO A 89 -11.963 -7.014 -6.181 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.905 -6.934 -7.290 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.577 -8.113 -6.439 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.513 -7.595 -5.035 1.00 0.00 C ATOM 0 HA PRO A 89 -9.576 -4.975 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.433 -7.235 -8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.002 -6.413 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.336 -8.889 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.627 -8.558 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.782 -8.362 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.512 -7.249 -4.777 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.686 -5.434 -7.760 1.00 0.00 N ATOM 1316 CA LYS A 90 -13.066 -5.482 -8.219 1.00 0.00 C ATOM 1317 C LYS A 90 -13.116 -5.714 -9.723 1.00 0.00 C ATOM 1318 O LYS A 90 -14.193 -5.806 -10.312 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.783 -4.173 -7.877 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.634 -3.757 -6.421 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.181 -2.357 -6.183 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.680 -2.288 -6.430 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.221 -0.922 -6.185 1.00 0.00 N ATOM 0 H LYS A 90 -11.101 -4.763 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.568 -6.308 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.394 -3.379 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.843 -4.278 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.159 -4.468 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.582 -3.791 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.967 -2.052 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.671 -1.651 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.893 -2.584 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.188 -3.001 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.245 -0.917 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.041 -0.649 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.755 -0.245 -6.822 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.940 -5.805 -10.342 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.854 -6.020 -11.783 1.00 0.00 C ATOM 1339 C GLN A 91 -12.602 -7.284 -12.192 1.00 0.00 C ATOM 1340 O GLN A 91 -13.534 -7.233 -12.996 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.393 -6.111 -12.227 1.00 0.00 C ATOM 1342 CG GLN A 91 -9.517 -5.001 -11.670 1.00 0.00 C ATOM 1343 CD GLN A 91 -8.094 -5.056 -12.193 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -7.930 -5.538 -13.420 1.00 0.00 O flip ATOM 1345 NE2 GLN A 91 -7.152 -4.666 -11.504 1.00 0.00 N flip ATOM 0 H GLN A 91 -11.039 -5.733 -9.870 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.321 -5.167 -12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.987 -7.073 -11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.351 -6.084 -13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.956 -4.036 -11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -9.502 -5.067 -10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.322 -4.303 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.201 -4.706 -11.871 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.191 -8.416 -11.632 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.824 -9.695 -11.938 1.00 0.00 C ATOM 1356 C GLN A 92 -12.362 -10.779 -10.970 1.00 0.00 C ATOM 1357 O GLN A 92 -13.101 -11.174 -10.067 1.00 0.00 O ATOM 1358 CB GLN A 92 -12.509 -10.110 -13.376 1.00 0.00 C ATOM 1359 CG GLN A 92 -13.745 -10.430 -14.200 1.00 0.00 C ATOM 1360 CD GLN A 92 -13.410 -10.837 -15.622 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -12.409 -10.393 -16.188 1.00 0.00 O ATOM 1362 NE2 GLN A 92 -14.248 -11.683 -16.209 1.00 0.00 N ATOM 0 H GLN A 92 -11.423 -8.475 -10.964 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.902 -9.574 -11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.955 -9.308 -13.864 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.857 -10.984 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.300 -11.234 -13.717 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.399 -9.558 -14.220 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.065 -12.025 -15.703 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.075 -11.991 -17.166 1.00 0.00 H new ATOM 1371 N GLY A 93 -11.136 -11.256 -11.163 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.594 -12.289 -10.300 1.00 0.00 C ATOM 1373 C GLY A 93 -9.144 -12.034 -9.939 1.00 0.00 C ATOM 1374 O GLY A 93 -8.354 -12.969 -9.811 1.00 0.00 O ATOM 0 H GLY A 93 -10.507 -10.944 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.188 -12.347 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.678 -13.256 -10.797 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.797 -10.762 -9.777 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.433 -10.376 -9.432 1.00 0.00 C ATOM 1380 C ASP A 94 -7.101 -10.787 -7.996 1.00 0.00 C ATOM 1381 O ASP A 94 -8.002 -11.026 -7.190 1.00 0.00 O ATOM 1382 CB ASP A 94 -7.258 -8.864 -9.599 1.00 0.00 C ATOM 1383 CG ASP A 94 -8.281 -8.267 -10.545 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -9.440 -8.077 -10.123 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -7.922 -7.991 -11.709 1.00 0.00 O ATOM 0 H ASP A 94 -9.443 -9.979 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.748 -10.892 -10.105 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.342 -8.381 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.256 -8.656 -9.973 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.802 -10.879 -7.658 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.358 -11.265 -6.318 1.00 0.00 C ATOM 1392 C PRO A 95 -5.359 -10.096 -5.332 1.00 0.00 C ATOM 1393 O PRO A 95 -5.235 -8.939 -5.734 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.933 -11.748 -6.565 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.453 -10.916 -7.705 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.660 -10.623 -8.559 1.00 0.00 C ATOM 0 HA PRO A 95 -6.016 -12.007 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.308 -11.611 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.910 -12.810 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.998 -9.993 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.692 -11.445 -8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.656 -9.593 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.693 -11.266 -9.439 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.501 -10.385 -4.024 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.512 -9.358 -2.983 1.00 0.00 C ATOM 1406 C PRO A 96 -4.104 -8.930 -2.577 1.00 0.00 C ATOM 1407 O PRO A 96 -3.121 -9.578 -2.941 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.210 -10.060 -1.822 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.839 -11.496 -1.978 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.672 -11.739 -3.458 1.00 0.00 C ATOM 0 HA PRO A 96 -6.003 -8.441 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.877 -9.666 -0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.290 -9.922 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.916 -11.718 -1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.612 -12.143 -1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.808 -12.370 -3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.542 -12.242 -3.881 1.00 0.00 H new ATOM 1418 N VAL A 97 -4.010 -7.839 -1.822 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.716 -7.330 -1.371 1.00 0.00 C ATOM 1420 C VAL A 97 -2.780 -6.866 0.082 1.00 0.00 C ATOM 1421 O VAL A 97 -3.592 -6.010 0.435 1.00 0.00 O ATOM 1422 CB VAL A 97 -2.233 -6.160 -2.252 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.851 -5.698 -1.816 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -2.231 -6.558 -3.720 1.00 0.00 C ATOM 0 H VAL A 97 -4.811 -7.291 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.008 -8.154 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.926 -5.328 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.527 -4.872 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.889 -5.367 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.146 -6.524 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.887 -5.718 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.564 -7.407 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.241 -6.834 -4.024 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.915 -7.431 0.920 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.871 -7.076 2.336 1.00 0.00 C ATOM 1436 C GLU A 98 -0.843 -5.979 2.597 1.00 0.00 C ATOM 1437 O GLU A 98 0.207 -5.932 1.953 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.533 -8.306 3.182 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.656 -9.325 3.265 1.00 0.00 C ATOM 1440 CD GLU A 98 -3.032 -9.897 1.912 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -2.409 -10.897 1.496 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.950 -9.347 1.269 1.00 0.00 O ATOM 0 H GLU A 98 -1.234 -8.138 0.643 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.856 -6.703 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.648 -8.788 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.275 -7.981 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.355 -10.137 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.533 -8.857 3.713 1.00 0.00 H new ATOM 1449 N PHE A 99 -1.152 -5.099 3.544 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.255 -4.003 3.902 1.00 0.00 C ATOM 1451 C PHE A 99 -0.033 -3.955 5.412 1.00 0.00 C ATOM 1452 O PHE A 99 -0.828 -4.497 6.181 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.832 -2.666 3.435 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.972 -2.538 1.946 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.978 -3.209 1.271 1.00 0.00 C ATOM 1456 CD2 PHE A 99 -0.104 -1.736 1.223 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.113 -3.084 -0.098 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.234 -1.607 -0.146 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.241 -2.282 -0.808 1.00 0.00 C ATOM 0 H PHE A 99 -2.020 -5.123 4.080 1.00 0.00 H new ATOM 0 HA PHE A 99 0.700 -4.179 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.811 -2.527 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.193 -1.861 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.664 -3.836 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.684 -1.205 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.901 -3.614 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.450 -0.980 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.346 -2.183 -1.878 1.00 0.00 H new ATOM 1469 N ALA A 100 1.050 -3.305 5.834 1.00 0.00 N ATOM 1470 CA ALA A 100 1.359 -3.187 7.257 1.00 0.00 C ATOM 1471 C ALA A 100 2.288 -2.007 7.539 1.00 0.00 C ATOM 1472 O ALA A 100 3.196 -1.718 6.760 1.00 0.00 O ATOM 1473 CB ALA A 100 1.979 -4.478 7.769 1.00 0.00 C ATOM 0 H ALA A 100 1.724 -2.855 5.215 1.00 0.00 H new ATOM 0 HA ALA A 100 0.423 -3.004 7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.205 -4.377 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.279 -5.301 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.898 -4.683 7.220 1.00 0.00 H new ATOM 1479 N THR A 101 2.049 -1.332 8.661 1.00 0.00 N ATOM 1480 CA THR A 101 2.862 -0.187 9.064 1.00 0.00 C ATOM 1481 C THR A 101 3.616 -0.486 10.357 1.00 0.00 C ATOM 1482 O THR A 101 3.650 -1.629 10.814 1.00 0.00 O ATOM 1483 CB THR A 101 2.003 1.076 9.266 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.879 0.779 10.102 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.522 1.628 7.932 1.00 0.00 C ATOM 0 H THR A 101 1.296 -1.560 9.310 1.00 0.00 H new ATOM 0 HA THR A 101 3.573 -0.004 8.258 1.00 0.00 H new ATOM 0 HB THR A 101 2.622 1.832 9.749 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.947 1.290 10.936 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.918 2.519 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.382 1.886 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.921 0.875 7.422 1.00 0.00 H new ATOM 1493 N ASP A 102 4.220 0.545 10.941 1.00 0.00 N ATOM 1494 CA ASP A 102 4.972 0.385 12.182 1.00 0.00 C ATOM 1495 C ASP A 102 4.306 1.137 13.329 1.00 0.00 C ATOM 1496 O ASP A 102 4.471 0.779 14.496 1.00 0.00 O ATOM 1497 CB ASP A 102 6.407 0.882 11.998 1.00 0.00 C ATOM 1498 CG ASP A 102 6.476 2.366 11.693 1.00 0.00 C ATOM 1499 OD1 ASP A 102 5.821 2.806 10.725 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.191 3.088 12.421 1.00 0.00 O ATOM 0 H ASP A 102 4.204 1.497 10.576 1.00 0.00 H new ATOM 0 HA ASP A 102 4.988 -0.676 12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.978 0.674 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.879 0.326 11.188 1.00 0.00 H new ATOM 1505 N ARG A 103 3.550 2.176 12.990 1.00 0.00 N ATOM 1506 CA ARG A 103 2.860 2.979 13.994 1.00 0.00 C ATOM 1507 C ARG A 103 1.377 3.114 13.661 1.00 0.00 C ATOM 1508 O ARG A 103 0.942 2.758 12.566 1.00 0.00 O ATOM 1509 CB ARG A 103 3.495 4.366 14.097 1.00 0.00 C ATOM 1510 CG ARG A 103 5.015 4.341 14.114 1.00 0.00 C ATOM 1511 CD ARG A 103 5.589 5.669 14.580 1.00 0.00 C ATOM 1512 NE ARG A 103 5.133 6.021 15.922 1.00 0.00 N ATOM 1513 CZ ARG A 103 5.397 7.183 16.510 1.00 0.00 C ATOM 1514 NH1 ARG A 103 6.113 8.103 15.878 1.00 0.00 N ATOM 1515 NH2 ARG A 103 4.945 7.428 17.733 1.00 0.00 N ATOM 0 H ARG A 103 3.399 2.482 12.029 1.00 0.00 H new ATOM 0 HA ARG A 103 2.956 2.470 14.953 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.160 4.973 13.256 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.138 4.853 15.004 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.359 3.544 14.772 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.387 4.113 13.115 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.678 5.617 14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.300 6.454 13.881 1.00 0.00 H new ATOM 0 HE ARG A 103 4.580 5.336 16.437 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.463 7.920 14.938 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.314 8.994 16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.394 6.724 18.224 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.149 8.321 18.183 1.00 0.00 H new ATOM 1529 N VAL A 104 0.607 3.632 14.615 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.826 3.817 14.424 1.00 0.00 C ATOM 1531 C VAL A 104 -1.110 5.056 13.579 1.00 0.00 C ATOM 1532 O VAL A 104 -2.084 5.094 12.825 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.563 3.939 15.772 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -1.078 5.157 16.544 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -3.068 3.997 15.557 1.00 0.00 C ATOM 0 H VAL A 104 0.953 3.930 15.527 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.195 2.934 13.902 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.339 3.053 16.365 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.612 5.223 17.492 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.009 5.065 16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.265 6.057 15.959 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.570 4.083 16.521 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.314 4.862 14.941 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.399 3.088 15.055 1.00 0.00 H new ATOM 1545 N GLU A 105 -0.257 6.067 13.709 1.00 0.00 N ATOM 1546 CA GLU A 105 -0.417 7.305 12.954 1.00 0.00 C ATOM 1547 C GLU A 105 -0.205 7.056 11.465 1.00 0.00 C ATOM 1548 O GLU A 105 -1.051 7.407 10.642 1.00 0.00 O ATOM 1549 CB GLU A 105 0.568 8.365 13.453 1.00 0.00 C ATOM 1550 CG GLU A 105 0.389 8.717 14.921 1.00 0.00 C ATOM 1551 CD GLU A 105 1.376 9.766 15.393 1.00 0.00 C ATOM 1552 OE1 GLU A 105 1.058 10.969 15.292 1.00 0.00 O ATOM 1553 OE2 GLU A 105 2.468 9.384 15.867 1.00 0.00 O ATOM 0 H GLU A 105 0.552 6.053 14.330 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.433 7.669 13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.585 8.007 13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.451 9.268 12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.626 9.080 15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.506 7.816 15.524 1.00 0.00 H new ATOM 1560 N GLU A 106 0.929 6.450 11.124 1.00 0.00 N ATOM 1561 CA GLU A 106 1.241 6.145 9.734 1.00 0.00 C ATOM 1562 C GLU A 106 0.167 5.242 9.144 1.00 0.00 C ATOM 1563 O GLU A 106 -0.086 5.256 7.940 1.00 0.00 O ATOM 1564 CB GLU A 106 2.604 5.458 9.627 1.00 0.00 C ATOM 1565 CG GLU A 106 3.714 6.180 10.370 1.00 0.00 C ATOM 1566 CD GLU A 106 3.954 7.581 9.845 1.00 0.00 C ATOM 1567 OE1 GLU A 106 4.770 7.734 8.912 1.00 0.00 O ATOM 1568 OE2 GLU A 106 3.325 8.527 10.366 1.00 0.00 O ATOM 0 H GLU A 106 1.645 6.162 11.791 1.00 0.00 H new ATOM 0 HA GLU A 106 1.274 7.081 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.520 4.443 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.877 5.376 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.463 6.231 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.635 5.603 10.289 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.462 4.455 10.012 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.514 3.539 9.597 1.00 0.00 C ATOM 1577 C LEU A 107 -2.745 4.304 9.134 1.00 0.00 C ATOM 1578 O LEU A 107 -3.207 4.137 8.007 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.896 2.618 10.757 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.877 1.502 10.399 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.128 0.209 10.146 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.906 1.313 11.501 1.00 0.00 C ATOM 0 H LEU A 107 -0.258 4.435 11.011 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.136 2.943 8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.988 2.168 11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.331 3.222 11.553 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.404 1.786 9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.837 -0.579 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.430 0.349 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.578 -0.074 11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.593 0.514 11.224 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.400 1.051 12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.464 2.239 11.641 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.263 5.153 10.011 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.449 5.940 9.708 1.00 0.00 C ATOM 1596 C PHE A 108 -4.182 6.955 8.602 1.00 0.00 C ATOM 1597 O PHE A 108 -5.088 7.328 7.869 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.938 6.661 10.965 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.385 6.408 11.277 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.759 5.331 12.065 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.372 7.246 10.782 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -8.090 5.095 12.354 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.705 7.014 11.068 1.00 0.00 C ATOM 1604 CZ PHE A 108 -9.064 5.938 11.855 1.00 0.00 C ATOM 0 H PHE A 108 -2.878 5.314 10.942 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.220 5.254 9.357 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.331 6.346 11.814 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.783 7.733 10.843 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.002 4.669 12.458 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.097 8.089 10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.368 4.252 12.969 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.465 7.674 10.676 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.104 5.756 12.080 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.939 7.393 8.477 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.582 8.381 7.462 1.00 0.00 C ATOM 1616 C GLU A 109 -2.554 7.771 6.059 1.00 0.00 C ATOM 1617 O GLU A 109 -3.279 8.210 5.163 1.00 0.00 O ATOM 1618 CB GLU A 109 -1.220 8.993 7.793 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.758 10.040 6.793 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.665 11.254 6.758 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -1.420 12.201 7.533 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -2.621 11.257 5.954 1.00 0.00 O ATOM 0 H GLU A 109 -2.162 7.084 9.061 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.347 9.158 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.267 9.446 8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.477 8.197 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.255 10.355 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.716 9.594 5.799 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.726 6.750 5.883 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.578 6.092 4.588 1.00 0.00 C ATOM 1631 C TRP A 110 -2.833 5.332 4.169 1.00 0.00 C ATOM 1632 O TRP A 110 -3.312 5.482 3.046 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.398 5.120 4.630 1.00 0.00 C ATOM 1634 CG TRP A 110 0.895 5.718 4.173 1.00 0.00 C ATOM 1635 CD1 TRP A 110 1.806 6.389 4.935 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.424 5.690 2.844 1.00 0.00 C ATOM 1637 NE1 TRP A 110 2.872 6.780 4.161 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.660 6.362 2.873 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.974 5.160 1.631 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.448 6.517 1.737 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.758 5.316 0.505 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.983 5.989 0.565 1.00 0.00 C ATOM 0 H TRP A 110 -1.144 6.357 6.623 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.403 6.877 3.853 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.278 4.754 5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.629 4.256 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.704 6.584 5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.687 7.297 4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.030 4.638 1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.394 7.036 1.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.420 4.912 -0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.574 6.094 -0.333 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.361 4.520 5.076 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.535 3.705 4.782 1.00 0.00 C ATOM 1655 C PHE A 111 -5.799 4.535 4.576 1.00 0.00 C ATOM 1656 O PHE A 111 -6.647 4.171 3.760 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.712 2.650 5.869 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.624 1.617 5.804 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.381 0.937 4.621 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.830 1.342 6.903 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.370 0.006 4.535 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.817 0.405 6.822 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.587 -0.262 5.637 1.00 0.00 C ATOM 0 H PHE A 111 -2.996 4.408 6.022 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.364 3.203 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.705 3.128 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.683 2.167 5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.993 1.140 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.003 1.864 7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.191 -0.513 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.205 0.195 7.687 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.795 -0.993 5.573 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.940 5.642 5.299 1.00 0.00 N ATOM 1674 CA GLN A 112 -7.111 6.495 5.118 1.00 0.00 C ATOM 1675 C GLN A 112 -7.060 7.125 3.733 1.00 0.00 C ATOM 1676 O GLN A 112 -8.091 7.358 3.104 1.00 0.00 O ATOM 1677 CB GLN A 112 -7.177 7.573 6.201 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.511 8.296 6.286 1.00 0.00 C ATOM 1679 CD GLN A 112 -8.714 9.302 5.170 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -7.756 9.871 4.648 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -9.970 9.530 4.803 1.00 0.00 N ATOM 0 H GLN A 112 -5.274 5.965 6.001 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.012 5.888 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.964 7.114 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.392 8.306 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.317 7.563 6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.580 8.808 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.734 9.035 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.171 10.200 4.061 1.00 0.00 H new ATOM 1690 N SER A 113 -5.841 7.397 3.265 1.00 0.00 N ATOM 1691 CA SER A 113 -5.642 7.974 1.941 1.00 0.00 C ATOM 1692 C SER A 113 -5.979 6.942 0.868 1.00 0.00 C ATOM 1693 O SER A 113 -6.674 7.250 -0.101 1.00 0.00 O ATOM 1694 CB SER A 113 -4.199 8.453 1.776 1.00 0.00 C ATOM 1695 OG SER A 113 -3.992 9.018 0.493 1.00 0.00 O ATOM 0 H SER A 113 -4.980 7.226 3.784 1.00 0.00 H new ATOM 0 HA SER A 113 -6.305 8.832 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.968 9.192 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.516 7.616 1.923 1.00 0.00 H new ATOM 0 HG SER A 113 -3.115 8.745 0.153 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.476 5.718 1.041 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.756 4.646 0.092 1.00 0.00 C ATOM 1703 C ILE A 114 -7.264 4.461 -0.025 1.00 0.00 C ATOM 1704 O ILE A 114 -7.785 4.134 -1.091 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.106 3.308 0.518 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.576 3.421 0.487 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.578 2.176 -0.388 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.856 2.137 0.862 1.00 0.00 C ATOM 0 H ILE A 114 -4.879 5.449 1.823 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.328 4.931 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.413 3.083 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.264 3.722 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.266 4.212 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.112 1.242 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.662 2.082 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.298 2.394 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.779 2.297 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.137 1.844 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.135 1.347 0.165 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.953 4.683 1.090 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.404 4.573 1.136 1.00 0.00 C ATOM 1722 C ARG A 115 -10.037 5.793 0.480 1.00 0.00 C ATOM 1723 O ARG A 115 -11.072 5.697 -0.177 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.878 4.452 2.586 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.577 3.106 3.219 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.170 3.004 4.614 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.939 1.694 5.214 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.682 1.191 6.197 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.695 1.891 6.691 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.410 -0.010 6.687 1.00 0.00 N ATOM 0 H ARG A 115 -7.525 4.942 1.979 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.708 3.679 0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.406 5.235 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.953 4.628 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.979 2.310 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.498 2.959 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.735 3.775 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.242 3.197 4.567 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.165 1.132 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.906 2.816 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.263 1.504 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.631 -0.550 6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.980 -0.395 7.440 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.398 6.941 0.663 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.876 8.192 0.092 1.00 0.00 C ATOM 1746 C GLU A 116 -9.981 8.095 -1.427 1.00 0.00 C ATOM 1747 O GLU A 116 -10.660 8.899 -2.067 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.940 9.336 0.483 1.00 0.00 C ATOM 1749 CG GLU A 116 -9.299 9.981 1.809 1.00 0.00 C ATOM 1750 CD GLU A 116 -10.696 10.569 1.816 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -10.846 11.747 1.427 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -11.640 9.852 2.208 1.00 0.00 O ATOM 0 H GLU A 116 -8.540 7.031 1.207 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.871 8.391 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.919 8.958 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.959 10.095 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.218 9.238 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.578 10.767 2.033 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.302 7.105 -1.997 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.301 6.904 -3.441 1.00 0.00 C ATOM 1761 C ILE A 117 -10.250 5.780 -3.863 1.00 0.00 C ATOM 1762 O ILE A 117 -10.694 5.737 -5.011 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.880 6.591 -3.950 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.923 7.721 -3.560 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.884 6.389 -5.460 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.473 7.435 -3.885 1.00 0.00 C ATOM 0 H ILE A 117 -8.743 6.427 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.651 7.834 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.537 5.666 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.227 8.634 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.015 7.909 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.872 6.169 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.541 5.557 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -8.242 7.296 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.858 8.281 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -5.150 6.541 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.365 7.277 -4.958 1.00 0.00 H new ATOM 1778 N THR A 118 -10.572 4.880 -2.936 1.00 0.00 N ATOM 1779 CA THR A 118 -11.458 3.762 -3.244 1.00 0.00 C ATOM 1780 C THR A 118 -12.793 3.935 -2.541 1.00 0.00 C ATOM 1781 O THR A 118 -13.847 3.974 -3.177 1.00 0.00 O ATOM 1782 CB THR A 118 -10.838 2.416 -2.824 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.556 2.422 -1.420 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.558 2.142 -3.600 1.00 0.00 C ATOM 0 H THR A 118 -10.235 4.903 -1.973 1.00 0.00 H new ATOM 0 HA THR A 118 -11.607 3.755 -4.324 1.00 0.00 H new ATOM 0 HB THR A 118 -11.556 1.627 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.173 1.815 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.139 1.186 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.779 2.108 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.837 2.936 -3.404 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.731 4.036 -1.223 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.918 4.223 -0.407 1.00 0.00 C ATOM 1794 C TRP A 119 -14.689 5.461 -0.851 1.00 0.00 C ATOM 1795 O TRP A 119 -15.912 5.523 -0.724 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.513 4.359 1.057 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.520 3.059 1.798 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -12.600 2.058 1.694 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.491 2.617 2.754 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -12.937 1.019 2.527 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -14.095 1.338 3.189 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.656 3.178 3.285 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -14.822 0.612 4.129 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -16.378 2.456 4.217 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -15.958 1.186 4.631 1.00 0.00 C ATOM 0 H TRP A 119 -11.861 3.991 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.566 3.355 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.515 4.795 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.192 5.054 1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.733 2.079 1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.412 0.152 2.636 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.986 4.158 2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.501 -0.368 4.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.281 2.878 4.633 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -16.543 0.648 5.362 1.00 0.00 H new ATOM 1816 N LYS A 120 -13.961 6.442 -1.372 1.00 0.00 N ATOM 1817 CA LYS A 120 -14.570 7.682 -1.838 1.00 0.00 C ATOM 1818 C LYS A 120 -14.275 7.911 -3.318 1.00 0.00 C ATOM 1819 O LYS A 120 -13.165 7.658 -3.785 1.00 0.00 O ATOM 1820 CB LYS A 120 -14.058 8.867 -1.015 1.00 0.00 C ATOM 1821 CG LYS A 120 -14.675 10.198 -1.412 1.00 0.00 C ATOM 1822 CD LYS A 120 -14.128 11.339 -0.570 1.00 0.00 C ATOM 1823 CE LYS A 120 -14.749 12.669 -0.963 1.00 0.00 C ATOM 1824 NZ LYS A 120 -14.478 13.010 -2.388 1.00 0.00 N ATOM 0 H LYS A 120 -12.948 6.403 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 120 -15.649 7.598 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.263 8.681 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -12.975 8.932 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -14.475 10.393 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.758 10.147 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -14.325 11.142 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -13.046 11.393 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.826 12.630 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.356 13.457 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -14.705 14.011 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -13.474 12.842 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -15.066 12.415 -3.005 1.00 0.00 H new ATOM 1838 N ILE A 121 -15.277 8.391 -4.048 1.00 0.00 N ATOM 1839 CA ILE A 121 -15.128 8.654 -5.473 1.00 0.00 C ATOM 1840 C ILE A 121 -15.377 10.133 -5.771 1.00 0.00 C ATOM 1841 O ILE A 121 -15.049 10.998 -4.960 1.00 0.00 O ATOM 1842 CB ILE A 121 -16.097 7.788 -6.306 1.00 0.00 C ATOM 1843 CG1 ILE A 121 -16.452 6.504 -5.549 1.00 0.00 C ATOM 1844 CG2 ILE A 121 -15.474 7.452 -7.656 1.00 0.00 C ATOM 1845 CD1 ILE A 121 -17.489 5.650 -6.249 1.00 0.00 C ATOM 0 H ILE A 121 -16.202 8.606 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 121 -14.106 8.396 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.013 8.354 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -15.546 5.915 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -16.821 6.768 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -16.167 6.841 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -15.263 8.373 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -14.546 6.901 -7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -17.689 4.759 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -18.410 6.221 -6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -17.116 5.355 -7.230 1.00 0.00 H new ATOM 1857 N ASP A 122 -15.956 10.418 -6.934 1.00 0.00 N ATOM 1858 CA ASP A 122 -16.242 11.792 -7.328 1.00 0.00 C ATOM 1859 C ASP A 122 -17.712 11.957 -7.701 1.00 0.00 C ATOM 1860 O ASP A 122 -18.180 11.389 -8.687 1.00 0.00 O ATOM 1861 CB ASP A 122 -15.356 12.201 -8.506 1.00 0.00 C ATOM 1862 CG ASP A 122 -13.878 12.116 -8.175 1.00 0.00 C ATOM 1863 OD1 ASP A 122 -13.318 13.125 -7.696 1.00 0.00 O ATOM 1864 OD2 ASP A 122 -13.281 11.042 -8.396 1.00 0.00 O ATOM 0 H ASP A 122 -16.236 9.716 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 122 -16.027 12.440 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -15.572 11.559 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -15.601 13.220 -8.804 1.00 0.00 H new ATOM 1869 N THR A 123 -18.433 12.738 -6.903 1.00 0.00 N ATOM 1870 CA THR A 123 -19.851 12.980 -7.146 1.00 0.00 C ATOM 1871 C THR A 123 -20.082 14.383 -7.697 1.00 0.00 C ATOM 1872 O THR A 123 -19.374 15.324 -7.343 1.00 0.00 O ATOM 1873 CB THR A 123 -20.681 12.801 -5.861 1.00 0.00 C ATOM 1874 OG1 THR A 123 -22.058 13.096 -6.121 1.00 0.00 O ATOM 1875 CG2 THR A 123 -20.163 13.706 -4.752 1.00 0.00 C ATOM 0 H THR A 123 -18.059 13.214 -6.082 1.00 0.00 H new ATOM 0 HA THR A 123 -20.175 12.245 -7.883 1.00 0.00 H new ATOM 0 HB THR A 123 -20.588 11.765 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 123 -22.579 12.978 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 123 -20.764 13.562 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 123 -19.124 13.458 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 123 -20.229 14.746 -5.071 1.00 0.00 H new ATOM 1883 N LYS A 124 -21.078 14.514 -8.568 1.00 0.00 N ATOM 1884 CA LYS A 124 -21.406 15.802 -9.169 1.00 0.00 C ATOM 1885 C LYS A 124 -22.664 16.392 -8.541 1.00 0.00 C ATOM 1886 O LYS A 124 -23.771 16.081 -9.028 1.00 0.00 O ATOM 1887 CB LYS A 124 -21.599 15.649 -10.680 1.00 0.00 C ATOM 1888 CG LYS A 124 -20.363 15.140 -11.406 1.00 0.00 C ATOM 1889 CD LYS A 124 -19.212 16.128 -11.313 1.00 0.00 C ATOM 1890 CE LYS A 124 -17.980 15.619 -12.043 1.00 0.00 C ATOM 1891 NZ LYS A 124 -16.846 16.580 -11.959 1.00 0.00 N ATOM 1892 OXT LYS A 124 -22.531 17.159 -7.564 1.00 0.00 O ATOM 0 H LYS A 124 -21.672 13.743 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 124 -20.576 16.483 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -22.426 14.963 -10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -21.885 16.613 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -20.058 14.184 -10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -20.604 14.959 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -19.518 17.085 -11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.968 16.306 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.677 14.662 -11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.227 15.440 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -16.026 16.195 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -17.126 17.486 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -16.593 16.732 -10.962 1.00 0.00 H new TER 1906 LYS A 124