USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 961 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 115 HIS : no HE2:sc= -0.018 K(o=0.86,f=-0.88) USER MOD Set 1.2: A 119 GLN : amide:sc= 0.874 K(o=0.86,f=-0.0093) USER MOD Set 2.1: A 77 ASN : amide:sc= 1.05 K(o=1.6,f=-3.1!) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.529 USER MOD Set 3.1: A 40 SER OG : rot 90:sc= 1.22 USER MOD Set 3.2: A 56 ASN : amide:sc= 1.72 K(o=2.9,f=-2.8!) USER MOD Set 4.1: A 23 HIS : no HE2:sc= -0.0078 K(o=0.27,f=-0.44) USER MOD Set 4.2: A 113 CYS SG : rot -40:sc= 0.277 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0184) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.00944 (180deg=0) USER MOD Single : A 3 SER OG : rot 23:sc= 1.28 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.544 K(o=0.54,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -148:sc= 1.05 (180deg=0.397) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0765 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.179 K(o=0.18,f=-0.68) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= 0.635 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.601) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 142:sc= 1.22 USER MOD Single : A 78 ASN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.289 K(o=0.29,f=-1) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -68:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -112:sc= -0.0481 (180deg=-0.149) USER MOD Single : A 102 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 166:sc= -0.0348 (180deg=-0.165) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 1.9 (180deg=1.73) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.482 K(o=0.48,f=-2.5) USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 38:sc= 0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.621 -9.242 -0.658 1.00 0.00 N ATOM 2 CA MET A 1 20.624 -8.590 0.684 1.00 0.00 C ATOM 3 C MET A 1 19.191 -8.265 1.132 1.00 0.00 C ATOM 4 O MET A 1 18.382 -7.805 0.322 1.00 0.00 O ATOM 5 CB MET A 1 21.523 -7.330 0.687 1.00 0.00 C ATOM 6 CG MET A 1 21.752 -6.744 2.091 1.00 0.00 C ATOM 7 SD MET A 1 22.819 -5.273 2.153 1.00 0.00 S ATOM 8 CE MET A 1 24.443 -6.003 1.794 1.00 0.00 C ATOM 0 H1 MET A 1 21.336 -8.791 -1.265 1.00 0.00 H new ATOM 0 H2 MET A 1 20.843 -10.253 -0.553 1.00 0.00 H new ATOM 0 H3 MET A 1 19.682 -9.137 -1.093 1.00 0.00 H new ATOM 0 HA MET A 1 21.045 -9.290 1.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.487 -7.580 0.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.069 -6.568 0.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.784 -6.489 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.189 -7.517 2.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.212 -5.234 1.868 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.652 -6.796 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.441 -6.418 0.786 1.00 0.00 H new ATOM 20 N ALA A 2 18.861 -8.503 2.408 1.00 0.00 N ATOM 21 CA ALA A 2 17.540 -8.226 2.992 1.00 0.00 C ATOM 22 C ALA A 2 17.292 -6.719 3.226 1.00 0.00 C ATOM 23 O ALA A 2 18.227 -5.920 3.300 1.00 0.00 O ATOM 24 CB ALA A 2 17.407 -9.035 4.292 1.00 0.00 C ATOM 0 H ALA A 2 19.518 -8.902 3.078 1.00 0.00 H new ATOM 0 HA ALA A 2 16.771 -8.534 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.433 -8.843 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.502 -10.098 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.192 -8.738 4.987 1.00 0.00 H new ATOM 30 N SER A 3 16.023 -6.332 3.366 1.00 0.00 N ATOM 31 CA SER A 3 15.534 -4.955 3.610 1.00 0.00 C ATOM 32 C SER A 3 14.013 -4.946 3.898 1.00 0.00 C ATOM 33 O SER A 3 13.332 -5.926 3.555 1.00 0.00 O ATOM 34 CB SER A 3 15.832 -4.046 2.395 1.00 0.00 C ATOM 35 OG SER A 3 17.197 -3.656 2.353 1.00 0.00 O ATOM 0 H SER A 3 15.257 -7.003 3.310 1.00 0.00 H new ATOM 0 HA SER A 3 16.060 -4.571 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.575 -4.572 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.201 -3.158 2.441 1.00 0.00 H new ATOM 0 HG SER A 3 17.738 -4.304 2.851 1.00 0.00 H new ATOM 41 N PRO A 4 13.460 -3.864 4.496 1.00 0.00 N ATOM 42 CA PRO A 4 12.017 -3.669 4.653 1.00 0.00 C ATOM 43 C PRO A 4 11.262 -3.701 3.316 1.00 0.00 C ATOM 44 O PRO A 4 11.803 -3.310 2.282 1.00 0.00 O ATOM 45 CB PRO A 4 11.844 -2.308 5.343 1.00 0.00 C ATOM 46 CG PRO A 4 13.178 -2.087 6.050 1.00 0.00 C ATOM 47 CD PRO A 4 14.178 -2.749 5.107 1.00 0.00 C ATOM 0 HA PRO A 4 11.593 -4.483 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.637 -1.517 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.014 -2.320 6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.392 -1.027 6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.192 -2.545 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.528 -2.047 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.057 -3.098 5.649 1.00 0.00 H new ATOM 55 N HIS A 5 9.995 -4.128 3.345 1.00 0.00 N ATOM 56 CA HIS A 5 9.141 -4.256 2.155 1.00 0.00 C ATOM 57 C HIS A 5 7.639 -4.357 2.508 1.00 0.00 C ATOM 58 O HIS A 5 6.864 -3.453 2.181 1.00 0.00 O ATOM 59 CB HIS A 5 9.615 -5.463 1.317 1.00 0.00 C ATOM 60 CG HIS A 5 8.784 -5.709 0.082 1.00 0.00 C ATOM 61 ND1 HIS A 5 8.042 -6.838 -0.192 1.00 0.00 N ATOM 62 CD2 HIS A 5 8.627 -4.859 -0.981 1.00 0.00 C ATOM 63 CE1 HIS A 5 7.451 -6.667 -1.386 1.00 0.00 C ATOM 64 NE2 HIS A 5 7.778 -5.472 -1.913 1.00 0.00 N ATOM 0 H HIS A 5 9.525 -4.399 4.209 1.00 0.00 H new ATOM 0 HA HIS A 5 9.241 -3.346 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.652 -5.303 1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.596 -6.357 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.080 -3.884 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.802 -7.389 -1.859 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.471 -5.091 -2.808 1.00 0.00 H new ATOM 72 N GLN A 6 7.211 -5.430 3.186 1.00 0.00 N ATOM 73 CA GLN A 6 5.805 -5.704 3.526 1.00 0.00 C ATOM 74 C GLN A 6 5.394 -4.944 4.809 1.00 0.00 C ATOM 75 O GLN A 6 4.914 -5.526 5.783 1.00 0.00 O ATOM 76 CB GLN A 6 5.604 -7.234 3.592 1.00 0.00 C ATOM 77 CG GLN A 6 4.126 -7.661 3.510 1.00 0.00 C ATOM 78 CD GLN A 6 3.996 -9.185 3.434 1.00 0.00 C ATOM 79 OE1 GLN A 6 3.930 -9.779 2.365 1.00 0.00 O ATOM 80 NE2 GLN A 6 3.993 -9.882 4.552 1.00 0.00 N ATOM 0 H GLN A 6 7.848 -6.152 3.523 1.00 0.00 H new ATOM 0 HA GLN A 6 5.133 -5.328 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.155 -7.701 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.032 -7.609 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.588 -7.290 4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.662 -7.209 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.047 -9.404 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.936 -10.900 4.518 1.00 0.00 H new ATOM 89 N GLU A 7 5.636 -3.631 4.830 1.00 0.00 N ATOM 90 CA GLU A 7 5.456 -2.783 6.012 1.00 0.00 C ATOM 91 C GLU A 7 4.063 -2.123 5.977 1.00 0.00 C ATOM 92 O GLU A 7 3.761 -1.446 4.983 1.00 0.00 O ATOM 93 CB GLU A 7 6.544 -1.695 6.084 1.00 0.00 C ATOM 94 CG GLU A 7 7.977 -2.161 5.784 1.00 0.00 C ATOM 95 CD GLU A 7 8.392 -3.424 6.556 1.00 0.00 C ATOM 96 OE1 GLU A 7 8.340 -3.414 7.810 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.823 -4.406 5.905 1.00 0.00 O ATOM 0 H GLU A 7 5.968 -3.118 4.013 1.00 0.00 H new ATOM 0 HA GLU A 7 5.540 -3.412 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.285 -0.902 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.526 -1.256 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.071 -2.352 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.670 -1.355 6.025 1.00 0.00 H new ATOM 104 N PRO A 8 3.221 -2.266 7.022 1.00 0.00 N ATOM 105 CA PRO A 8 1.925 -1.600 7.088 1.00 0.00 C ATOM 106 C PRO A 8 2.080 -0.109 7.418 1.00 0.00 C ATOM 107 O PRO A 8 3.031 0.298 8.085 1.00 0.00 O ATOM 108 CB PRO A 8 1.131 -2.357 8.154 1.00 0.00 C ATOM 109 CG PRO A 8 2.221 -2.836 9.113 1.00 0.00 C ATOM 110 CD PRO A 8 3.409 -3.113 8.194 1.00 0.00 C ATOM 0 HA PRO A 8 1.405 -1.622 6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.408 -1.712 8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.573 -3.191 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.459 -2.079 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.915 -3.731 9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.350 -2.883 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.446 -4.165 7.912 1.00 0.00 H new ATOM 118 N LYS A 9 1.145 0.716 6.929 1.00 0.00 N ATOM 119 CA LYS A 9 1.192 2.182 7.070 1.00 0.00 C ATOM 120 C LYS A 9 0.265 2.656 8.201 1.00 0.00 C ATOM 121 O LYS A 9 -0.819 2.087 8.382 1.00 0.00 O ATOM 122 CB LYS A 9 0.825 2.866 5.738 1.00 0.00 C ATOM 123 CG LYS A 9 1.990 2.987 4.745 1.00 0.00 C ATOM 124 CD LYS A 9 2.634 1.632 4.440 1.00 0.00 C ATOM 125 CE LYS A 9 3.622 1.725 3.270 1.00 0.00 C ATOM 126 NZ LYS A 9 4.009 0.374 2.781 1.00 0.00 N ATOM 0 H LYS A 9 0.326 0.384 6.419 1.00 0.00 H new ATOM 0 HA LYS A 9 2.211 2.466 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.018 2.306 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.439 3.863 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.630 3.433 3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.743 3.662 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.153 1.268 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.857 0.905 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.173 2.294 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.512 2.269 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.987 0.400 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.940 -0.310 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.371 0.087 2.012 1.00 0.00 H new ATOM 140 N PRO A 10 0.670 3.677 8.984 1.00 0.00 N ATOM 141 CA PRO A 10 -0.052 4.048 10.186 1.00 0.00 C ATOM 142 C PRO A 10 -1.408 4.662 9.828 1.00 0.00 C ATOM 143 O PRO A 10 -1.517 5.498 8.931 1.00 0.00 O ATOM 144 CB PRO A 10 0.888 4.949 10.994 1.00 0.00 C ATOM 145 CG PRO A 10 1.742 5.597 9.905 1.00 0.00 C ATOM 146 CD PRO A 10 1.887 4.476 8.872 1.00 0.00 C ATOM 0 HA PRO A 10 -0.315 3.194 10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.340 5.691 11.575 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.493 4.377 11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.257 6.477 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.710 5.920 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.998 4.882 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.772 3.872 9.071 1.00 0.00 H new ATOM 154 N GLY A 11 -2.447 4.179 10.517 1.00 0.00 N ATOM 155 CA GLY A 11 -3.853 4.521 10.294 1.00 0.00 C ATOM 156 C GLY A 11 -4.575 3.619 9.298 1.00 0.00 C ATOM 157 O GLY A 11 -5.799 3.697 9.222 1.00 0.00 O ATOM 0 H GLY A 11 -2.324 3.511 11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.379 4.481 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.911 5.550 9.941 1.00 0.00 H new ATOM 161 N ASP A 12 -3.870 2.793 8.529 1.00 0.00 N ATOM 162 CA ASP A 12 -4.457 1.993 7.449 1.00 0.00 C ATOM 163 C ASP A 12 -4.809 0.553 7.861 1.00 0.00 C ATOM 164 O ASP A 12 -4.424 0.062 8.930 1.00 0.00 O ATOM 165 CB ASP A 12 -3.570 2.063 6.199 1.00 0.00 C ATOM 166 CG ASP A 12 -3.486 3.495 5.641 1.00 0.00 C ATOM 167 OD1 ASP A 12 -4.556 4.103 5.394 1.00 0.00 O ATOM 168 OD2 ASP A 12 -2.356 3.991 5.421 1.00 0.00 O ATOM 0 H ASP A 12 -2.865 2.656 8.636 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.422 2.437 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.569 1.708 6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.967 1.397 5.433 1.00 0.00 H new ATOM 173 N LEU A 13 -5.603 -0.094 6.999 1.00 0.00 N ATOM 174 CA LEU A 13 -6.254 -1.377 7.252 1.00 0.00 C ATOM 175 C LEU A 13 -5.389 -2.541 6.807 1.00 0.00 C ATOM 176 O LEU A 13 -5.195 -2.757 5.616 1.00 0.00 O ATOM 177 CB LEU A 13 -7.614 -1.436 6.528 1.00 0.00 C ATOM 178 CG LEU A 13 -8.550 -0.266 6.852 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.849 -0.427 6.062 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.831 -0.230 8.355 1.00 0.00 C ATOM 0 H LEU A 13 -5.815 0.279 6.073 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.408 -1.461 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.439 -1.460 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.113 -2.369 6.791 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.079 0.675 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.518 0.403 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.627 -0.433 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.329 -1.366 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.497 0.603 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.303 -1.164 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.894 -0.103 8.897 1.00 0.00 H new ATOM 192 N ILE A 14 -4.928 -3.323 7.771 1.00 0.00 N ATOM 193 CA ILE A 14 -4.168 -4.554 7.534 1.00 0.00 C ATOM 194 C ILE A 14 -5.152 -5.726 7.436 1.00 0.00 C ATOM 195 O ILE A 14 -5.850 -6.031 8.403 1.00 0.00 O ATOM 196 CB ILE A 14 -3.116 -4.822 8.637 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.432 -3.552 9.196 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.078 -5.807 8.064 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.446 -3.868 10.323 1.00 0.00 C ATOM 0 H ILE A 14 -5.071 -3.121 8.761 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.615 -4.442 6.601 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.635 -5.245 9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.906 -3.041 8.389 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.194 -2.865 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.320 -6.017 8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.575 -6.735 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.604 -5.367 7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.993 -2.943 10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.974 -4.354 11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.667 -4.532 9.949 1.00 0.00 H new ATOM 211 N GLU A 15 -5.197 -6.388 6.283 1.00 0.00 N ATOM 212 CA GLU A 15 -5.905 -7.647 6.086 1.00 0.00 C ATOM 213 C GLU A 15 -4.930 -8.784 6.409 1.00 0.00 C ATOM 214 O GLU A 15 -3.886 -8.908 5.765 1.00 0.00 O ATOM 215 CB GLU A 15 -6.411 -7.722 4.637 1.00 0.00 C ATOM 216 CG GLU A 15 -7.358 -8.906 4.420 1.00 0.00 C ATOM 217 CD GLU A 15 -7.970 -8.885 3.012 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.204 -8.963 2.022 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.217 -8.850 2.888 1.00 0.00 O ATOM 0 H GLU A 15 -4.730 -6.054 5.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.773 -7.727 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.926 -6.795 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.561 -7.809 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.815 -9.840 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.154 -8.878 5.164 1.00 0.00 H new ATOM 226 N ILE A 16 -5.238 -9.591 7.428 1.00 0.00 N ATOM 227 CA ILE A 16 -4.335 -10.604 8.003 1.00 0.00 C ATOM 228 C ILE A 16 -5.005 -11.978 7.931 1.00 0.00 C ATOM 229 O ILE A 16 -6.163 -12.124 8.319 1.00 0.00 O ATOM 230 CB ILE A 16 -4.008 -10.226 9.475 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.326 -8.837 9.568 1.00 0.00 C ATOM 232 CG2 ILE A 16 -3.123 -11.302 10.135 1.00 0.00 C ATOM 233 CD1 ILE A 16 -3.135 -8.303 10.995 1.00 0.00 C ATOM 0 H ILE A 16 -6.146 -9.561 7.892 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.404 -10.640 7.438 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.953 -10.173 10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.351 -8.894 9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.920 -8.118 9.004 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.908 -11.015 11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.646 -12.258 10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.189 -11.395 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.651 -7.327 10.957 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.106 -8.207 11.481 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.512 -8.995 11.562 1.00 0.00 H new ATOM 245 N PHE A 17 -4.284 -13.013 7.495 1.00 0.00 N ATOM 246 CA PHE A 17 -4.761 -14.400 7.487 1.00 0.00 C ATOM 247 C PHE A 17 -4.684 -15.006 8.906 1.00 0.00 C ATOM 248 O PHE A 17 -3.894 -15.907 9.185 1.00 0.00 O ATOM 249 CB PHE A 17 -3.972 -15.170 6.413 1.00 0.00 C ATOM 250 CG PHE A 17 -4.567 -16.514 6.045 1.00 0.00 C ATOM 251 CD1 PHE A 17 -5.697 -16.568 5.206 1.00 0.00 C ATOM 252 CD2 PHE A 17 -3.988 -17.711 6.514 1.00 0.00 C ATOM 253 CE1 PHE A 17 -6.237 -17.809 4.831 1.00 0.00 C ATOM 254 CE2 PHE A 17 -4.533 -18.952 6.141 1.00 0.00 C ATOM 255 CZ PHE A 17 -5.654 -19.002 5.294 1.00 0.00 C ATOM 0 H PHE A 17 -3.337 -12.911 7.131 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.815 -14.463 7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.909 -14.556 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.952 -15.322 6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.149 -15.654 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.124 -17.674 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.102 -17.847 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.090 -19.867 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.067 -19.955 4.999 1.00 0.00 H new ATOM 265 N ARG A 18 -5.497 -14.468 9.827 1.00 0.00 N ATOM 266 CA ARG A 18 -5.436 -14.733 11.277 1.00 0.00 C ATOM 267 C ARG A 18 -5.732 -16.191 11.670 1.00 0.00 C ATOM 268 O ARG A 18 -5.161 -16.693 12.640 1.00 0.00 O ATOM 269 CB ARG A 18 -6.387 -13.740 11.994 1.00 0.00 C ATOM 270 CG ARG A 18 -5.896 -13.175 13.344 1.00 0.00 C ATOM 271 CD ARG A 18 -5.697 -14.201 14.469 1.00 0.00 C ATOM 272 NE ARG A 18 -5.402 -13.543 15.762 1.00 0.00 N ATOM 273 CZ ARG A 18 -4.226 -13.468 16.381 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.125 -13.981 15.873 1.00 0.00 N ATOM 275 NH2 ARG A 18 -4.124 -12.851 17.539 1.00 0.00 N ATOM 0 H ARG A 18 -6.240 -13.815 9.578 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.406 -14.578 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.577 -12.903 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.342 -14.240 12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.950 -12.660 13.177 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.611 -12.426 13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.594 -14.812 14.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.880 -14.874 14.208 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.189 -13.096 16.232 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.153 -14.458 14.972 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.244 -13.901 16.381 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.948 -12.428 17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.221 -12.796 18.010 1.00 0.00 H new ATOM 289 N LEU A 19 -6.658 -16.856 10.966 1.00 0.00 N ATOM 290 CA LEU A 19 -7.442 -17.970 11.541 1.00 0.00 C ATOM 291 C LEU A 19 -7.895 -19.033 10.516 1.00 0.00 C ATOM 292 O LEU A 19 -8.917 -19.695 10.704 1.00 0.00 O ATOM 293 CB LEU A 19 -8.573 -17.351 12.403 1.00 0.00 C ATOM 294 CG LEU A 19 -9.482 -16.289 11.734 1.00 0.00 C ATOM 295 CD1 LEU A 19 -10.435 -16.880 10.691 1.00 0.00 C ATOM 296 CD2 LEU A 19 -10.310 -15.562 12.801 1.00 0.00 C ATOM 0 H LEU A 19 -6.887 -16.645 9.995 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.803 -18.573 12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.208 -18.163 12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.116 -16.897 13.282 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.816 -15.598 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.043 -16.084 10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.857 -17.362 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.084 -17.615 11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.946 -14.817 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.931 -16.283 13.333 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.642 -15.069 13.507 1.00 0.00 H new ATOM 308 N GLY A 20 -7.148 -19.177 9.413 1.00 0.00 N ATOM 309 CA GLY A 20 -7.543 -19.983 8.240 1.00 0.00 C ATOM 310 C GLY A 20 -8.393 -19.197 7.232 1.00 0.00 C ATOM 311 O GLY A 20 -8.912 -19.767 6.273 1.00 0.00 O ATOM 0 H GLY A 20 -6.237 -18.731 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.647 -20.353 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.103 -20.855 8.577 1.00 0.00 H new ATOM 315 N TYR A 21 -8.520 -17.886 7.458 1.00 0.00 N ATOM 316 CA TYR A 21 -9.300 -16.897 6.708 1.00 0.00 C ATOM 317 C TYR A 21 -8.890 -15.479 7.160 1.00 0.00 C ATOM 318 O TYR A 21 -8.298 -15.303 8.233 1.00 0.00 O ATOM 319 CB TYR A 21 -10.806 -17.144 6.925 1.00 0.00 C ATOM 320 CG TYR A 21 -11.727 -16.270 6.094 1.00 0.00 C ATOM 321 CD1 TYR A 21 -11.895 -16.517 4.716 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.405 -15.195 6.700 1.00 0.00 C ATOM 323 CE1 TYR A 21 -12.732 -15.689 3.943 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.230 -14.356 5.931 1.00 0.00 C ATOM 325 CZ TYR A 21 -13.401 -14.600 4.551 1.00 0.00 C ATOM 326 OH TYR A 21 -14.201 -13.780 3.813 1.00 0.00 O ATOM 0 H TYR A 21 -8.035 -17.450 8.242 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.098 -16.991 5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.023 -18.189 6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.036 -16.988 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.380 -17.345 4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.291 -15.015 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.863 -15.885 2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.734 -13.522 6.397 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.592 -14.286 3.071 1.00 0.00 H new ATOM 336 N GLU A 22 -9.177 -14.474 6.338 1.00 0.00 N ATOM 337 CA GLU A 22 -8.871 -13.067 6.577 1.00 0.00 C ATOM 338 C GLU A 22 -9.618 -12.469 7.787 1.00 0.00 C ATOM 339 O GLU A 22 -10.821 -12.666 7.969 1.00 0.00 O ATOM 340 CB GLU A 22 -9.214 -12.247 5.322 1.00 0.00 C ATOM 341 CG GLU A 22 -8.219 -12.412 4.163 1.00 0.00 C ATOM 342 CD GLU A 22 -8.256 -13.750 3.401 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.206 -14.553 3.561 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.317 -13.975 2.598 1.00 0.00 O ATOM 0 H GLU A 22 -9.650 -14.625 5.447 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.806 -13.017 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.207 -12.534 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.264 -11.193 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.395 -11.609 3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.212 -12.273 4.557 1.00 0.00 H new ATOM 351 N HIS A 23 -8.908 -11.666 8.578 1.00 0.00 N ATOM 352 CA HIS A 23 -9.433 -10.820 9.653 1.00 0.00 C ATOM 353 C HIS A 23 -8.637 -9.492 9.674 1.00 0.00 C ATOM 354 O HIS A 23 -7.477 -9.452 9.252 1.00 0.00 O ATOM 355 CB HIS A 23 -9.362 -11.593 10.991 1.00 0.00 C ATOM 356 CG HIS A 23 -10.599 -11.481 11.854 1.00 0.00 C ATOM 357 ND1 HIS A 23 -10.665 -11.006 13.146 1.00 0.00 N ATOM 358 CD2 HIS A 23 -11.859 -11.917 11.534 1.00 0.00 C ATOM 359 CE1 HIS A 23 -11.930 -11.148 13.580 1.00 0.00 C ATOM 360 NE2 HIS A 23 -12.704 -11.683 12.625 1.00 0.00 N ATOM 0 H HIS A 23 -7.896 -11.582 8.482 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.481 -10.570 9.488 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.179 -12.646 10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.505 -11.230 11.559 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.889 -10.615 13.680 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.151 -12.366 10.596 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.275 -10.869 14.564 1.00 0.00 H new ATOM 368 N TRP A 24 -9.247 -8.390 10.119 1.00 0.00 N ATOM 369 CA TRP A 24 -8.668 -7.045 9.981 1.00 0.00 C ATOM 370 C TRP A 24 -7.957 -6.514 11.237 1.00 0.00 C ATOM 371 O TRP A 24 -8.304 -6.858 12.371 1.00 0.00 O ATOM 372 CB TRP A 24 -9.771 -6.051 9.609 1.00 0.00 C ATOM 373 CG TRP A 24 -10.375 -6.158 8.241 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.627 -6.580 7.981 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.835 -5.719 6.956 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.887 -6.494 6.631 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.823 -5.948 5.949 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.635 -5.104 6.545 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.617 -5.613 4.604 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.421 -4.750 5.200 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.403 -5.017 4.227 1.00 0.00 C ATOM 0 H TRP A 24 -10.154 -8.402 10.585 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.909 -7.138 9.204 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.574 -6.153 10.339 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.366 -5.045 9.719 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.326 -6.935 8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.757 -6.796 6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.866 -4.901 7.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.382 -5.811 3.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.497 -4.270 4.912 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.223 -4.764 3.193 1.00 0.00 H new ATOM 392 N ALA A 25 -7.039 -5.565 11.014 1.00 0.00 N ATOM 393 CA ALA A 25 -6.387 -4.746 12.035 1.00 0.00 C ATOM 394 C ALA A 25 -6.108 -3.312 11.531 1.00 0.00 C ATOM 395 O ALA A 25 -6.012 -3.071 10.329 1.00 0.00 O ATOM 396 CB ALA A 25 -5.109 -5.456 12.493 1.00 0.00 C ATOM 0 H ALA A 25 -6.718 -5.340 10.072 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.056 -4.634 12.888 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.612 -4.856 13.255 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.363 -6.431 12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.441 -5.587 11.642 1.00 0.00 H new ATOM 402 N LEU A 26 -5.966 -2.361 12.456 1.00 0.00 N ATOM 403 CA LEU A 26 -5.621 -0.949 12.223 1.00 0.00 C ATOM 404 C LEU A 26 -4.235 -0.681 12.820 1.00 0.00 C ATOM 405 O LEU A 26 -4.056 -0.871 14.022 1.00 0.00 O ATOM 406 CB LEU A 26 -6.708 -0.090 12.917 1.00 0.00 C ATOM 407 CG LEU A 26 -6.872 1.381 12.482 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.592 2.218 12.588 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.454 1.482 11.068 1.00 0.00 C ATOM 0 H LEU A 26 -6.095 -2.563 13.447 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.587 -0.704 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.667 -0.588 12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.504 -0.098 13.988 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.575 1.809 13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.796 3.238 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.249 2.229 13.623 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.819 1.783 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.557 2.531 10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.787 0.985 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.432 1.002 11.042 1.00 0.00 H new ATOM 421 N TYR A 27 -3.261 -0.227 12.026 1.00 0.00 N ATOM 422 CA TYR A 27 -1.905 0.082 12.520 1.00 0.00 C ATOM 423 C TYR A 27 -1.873 1.406 13.317 1.00 0.00 C ATOM 424 O TYR A 27 -1.736 2.485 12.740 1.00 0.00 O ATOM 425 CB TYR A 27 -0.926 0.068 11.326 1.00 0.00 C ATOM 426 CG TYR A 27 0.546 -0.157 11.658 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.950 -1.323 12.340 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.530 0.738 11.196 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.313 -1.590 12.556 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.898 0.477 11.393 1.00 0.00 C ATOM 431 CZ TYR A 27 3.294 -0.702 12.060 1.00 0.00 C ATOM 432 OH TYR A 27 4.613 -0.998 12.196 1.00 0.00 O ATOM 0 H TYR A 27 -3.383 -0.062 11.027 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.589 -0.682 13.230 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.243 -0.712 10.633 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.016 1.018 10.799 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.205 -2.017 12.700 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.230 1.639 10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.610 -2.474 13.101 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.641 1.175 11.036 1.00 0.00 H new ATOM 0 HH TYR A 27 5.152 -0.282 11.799 1.00 0.00 H new ATOM 442 N ILE A 28 -2.038 1.349 14.647 1.00 0.00 N ATOM 443 CA ILE A 28 -2.114 2.550 15.514 1.00 0.00 C ATOM 444 C ILE A 28 -0.751 3.108 15.946 1.00 0.00 C ATOM 445 O ILE A 28 -0.666 4.283 16.305 1.00 0.00 O ATOM 446 CB ILE A 28 -2.993 2.319 16.765 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.560 1.087 17.593 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.471 2.255 16.351 1.00 0.00 C ATOM 449 CD1 ILE A 28 -3.001 1.169 19.058 1.00 0.00 C ATOM 0 H ILE A 28 -2.123 0.471 15.159 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.581 3.301 14.876 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.853 3.168 17.434 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.979 0.187 17.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.475 0.990 17.550 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.089 2.092 17.234 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.757 3.193 15.876 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.617 1.434 15.649 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.669 0.277 19.589 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.561 2.052 19.522 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.088 1.237 19.108 1.00 0.00 H new ATOM 461 N GLY A 29 0.303 2.291 15.916 1.00 0.00 N ATOM 462 CA GLY A 29 1.672 2.702 16.227 1.00 0.00 C ATOM 463 C GLY A 29 2.670 1.840 15.477 1.00 0.00 C ATOM 464 O GLY A 29 2.289 0.861 14.835 1.00 0.00 O ATOM 0 H GLY A 29 0.227 1.304 15.670 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.813 3.749 15.959 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.847 2.621 17.300 1.00 0.00 H new ATOM 468 N ASP A 30 3.955 2.178 15.578 1.00 0.00 N ATOM 469 CA ASP A 30 5.015 1.385 14.958 1.00 0.00 C ATOM 470 C ASP A 30 5.148 0.025 15.682 1.00 0.00 C ATOM 471 O ASP A 30 5.805 -0.092 16.721 1.00 0.00 O ATOM 472 CB ASP A 30 6.326 2.178 14.954 1.00 0.00 C ATOM 473 CG ASP A 30 7.455 1.411 14.249 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.254 0.989 13.086 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.545 1.253 14.851 1.00 0.00 O ATOM 0 H ASP A 30 4.287 2.998 16.085 1.00 0.00 H new ATOM 0 HA ASP A 30 4.762 1.174 13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.170 3.135 14.456 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.621 2.397 15.980 1.00 0.00 H new ATOM 480 N GLY A 31 4.472 -0.991 15.139 1.00 0.00 N ATOM 481 CA GLY A 31 4.360 -2.351 15.679 1.00 0.00 C ATOM 482 C GLY A 31 3.129 -2.608 16.554 1.00 0.00 C ATOM 483 O GLY A 31 2.974 -3.725 17.039 1.00 0.00 O ATOM 0 H GLY A 31 3.960 -0.882 14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.347 -3.055 14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.253 -2.566 16.265 1.00 0.00 H new ATOM 487 N TYR A 32 2.243 -1.624 16.745 1.00 0.00 N ATOM 488 CA TYR A 32 1.025 -1.744 17.563 1.00 0.00 C ATOM 489 C TYR A 32 -0.256 -1.643 16.722 1.00 0.00 C ATOM 490 O TYR A 32 -0.353 -0.820 15.810 1.00 0.00 O ATOM 491 CB TYR A 32 1.038 -0.683 18.670 1.00 0.00 C ATOM 492 CG TYR A 32 2.039 -0.979 19.770 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.683 -1.837 20.832 1.00 0.00 C ATOM 494 CD2 TYR A 32 3.331 -0.418 19.722 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.613 -2.120 21.851 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.267 -0.704 20.734 1.00 0.00 C ATOM 497 CZ TYR A 32 3.910 -1.556 21.804 1.00 0.00 C ATOM 498 OH TYR A 32 4.814 -1.851 22.781 1.00 0.00 O ATOM 0 H TYR A 32 2.353 -0.700 16.327 1.00 0.00 H new ATOM 0 HA TYR A 32 1.023 -2.736 18.014 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.267 0.288 18.231 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.041 -0.609 19.105 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.697 -2.277 20.863 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.604 0.234 18.905 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.336 -2.768 22.669 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.256 -0.273 20.693 1.00 0.00 H new ATOM 0 HH TYR A 32 5.656 -1.384 22.600 1.00 0.00 H new ATOM 508 N VAL A 33 -1.258 -2.466 17.048 1.00 0.00 N ATOM 509 CA VAL A 33 -2.479 -2.630 16.244 1.00 0.00 C ATOM 510 C VAL A 33 -3.746 -2.768 17.086 1.00 0.00 C ATOM 511 O VAL A 33 -3.724 -3.301 18.192 1.00 0.00 O ATOM 512 CB VAL A 33 -2.404 -3.862 15.308 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.449 -3.661 14.128 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.012 -5.164 16.026 1.00 0.00 C ATOM 0 H VAL A 33 -1.246 -3.045 17.888 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.537 -1.712 15.659 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.425 -3.960 14.938 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.441 -4.559 13.510 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.782 -2.812 13.531 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.443 -3.469 14.502 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.980 -5.981 15.306 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.030 -5.046 16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.747 -5.389 16.798 1.00 0.00 H new ATOM 524 N ILE A 34 -4.864 -2.297 16.534 1.00 0.00 N ATOM 525 CA ILE A 34 -6.215 -2.552 17.062 1.00 0.00 C ATOM 526 C ILE A 34 -6.849 -3.563 16.113 1.00 0.00 C ATOM 527 O ILE A 34 -6.823 -3.355 14.905 1.00 0.00 O ATOM 528 CB ILE A 34 -7.052 -1.255 17.148 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.402 -0.225 18.094 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.505 -1.536 17.580 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.073 -0.722 19.505 1.00 0.00 C ATOM 0 H ILE A 34 -4.862 -1.718 15.694 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.171 -2.936 18.081 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.076 -0.832 16.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.481 0.132 17.632 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.070 0.632 18.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.058 -0.598 17.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.978 -2.200 16.856 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.508 -2.009 18.562 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.621 0.087 20.079 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.988 -1.049 19.998 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.376 -1.557 19.443 1.00 0.00 H new ATOM 543 N HIS A 35 -7.394 -4.662 16.616 1.00 0.00 N ATOM 544 CA HIS A 35 -7.952 -5.725 15.779 1.00 0.00 C ATOM 545 C HIS A 35 -9.258 -6.265 16.373 1.00 0.00 C ATOM 546 O HIS A 35 -9.539 -6.076 17.557 1.00 0.00 O ATOM 547 CB HIS A 35 -6.902 -6.841 15.608 1.00 0.00 C ATOM 548 CG HIS A 35 -6.723 -7.703 16.837 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.340 -8.913 17.080 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.969 -7.407 17.940 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.963 -9.328 18.302 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.118 -8.447 18.867 1.00 0.00 N ATOM 0 H HIS A 35 -7.464 -4.846 17.617 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.196 -5.320 14.797 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.192 -7.475 14.770 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.944 -6.390 15.349 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.970 -9.405 16.446 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.363 -6.523 18.073 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.294 -10.245 18.767 1.00 0.00 H new ATOM 560 N LEU A 36 -10.032 -6.979 15.553 1.00 0.00 N ATOM 561 CA LEU A 36 -11.190 -7.738 16.013 1.00 0.00 C ATOM 562 C LEU A 36 -10.745 -9.159 16.378 1.00 0.00 C ATOM 563 O LEU A 36 -9.956 -9.768 15.654 1.00 0.00 O ATOM 564 CB LEU A 36 -12.247 -7.700 14.890 1.00 0.00 C ATOM 565 CG LEU A 36 -13.655 -8.182 15.288 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.344 -7.200 16.246 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.523 -8.332 14.029 1.00 0.00 C ATOM 0 H LEU A 36 -9.870 -7.045 14.548 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.635 -7.312 16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.323 -6.677 14.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.893 -8.313 14.061 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.543 -9.140 15.796 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.334 -7.576 16.503 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.748 -7.098 17.153 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.439 -6.227 15.763 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.519 -8.673 14.312 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.599 -7.370 13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.067 -9.060 13.358 1.00 0.00 H new ATOM 579 N ALA A 37 -11.239 -9.696 17.488 1.00 0.00 N ATOM 580 CA ALA A 37 -11.108 -11.101 17.884 1.00 0.00 C ATOM 581 C ALA A 37 -12.400 -11.846 17.479 1.00 0.00 C ATOM 582 O ALA A 37 -13.481 -11.272 17.644 1.00 0.00 O ATOM 583 CB ALA A 37 -10.856 -11.159 19.396 1.00 0.00 C ATOM 0 H ALA A 37 -11.764 -9.145 18.167 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.269 -11.585 17.384 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.756 -12.198 19.709 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.939 -10.619 19.633 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.693 -10.701 19.922 1.00 0.00 H new ATOM 589 N PRO A 38 -12.324 -13.080 16.941 1.00 0.00 N ATOM 590 CA PRO A 38 -13.464 -13.767 16.329 1.00 0.00 C ATOM 591 C PRO A 38 -14.474 -14.330 17.354 1.00 0.00 C ATOM 592 O PRO A 38 -14.109 -14.568 18.509 1.00 0.00 O ATOM 593 CB PRO A 38 -12.843 -14.895 15.495 1.00 0.00 C ATOM 594 CG PRO A 38 -11.585 -15.244 16.288 1.00 0.00 C ATOM 595 CD PRO A 38 -11.114 -13.873 16.763 1.00 0.00 C ATOM 0 HA PRO A 38 -14.051 -13.068 15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.515 -15.749 15.404 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.606 -14.567 14.483 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.801 -15.912 17.122 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.837 -15.739 15.669 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.557 -13.952 17.697 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.448 -13.413 16.033 1.00 0.00 H new ATOM 603 N PRO A 39 -15.730 -14.587 16.932 1.00 0.00 N ATOM 604 CA PRO A 39 -16.716 -15.315 17.723 1.00 0.00 C ATOM 605 C PRO A 39 -16.431 -16.825 17.649 1.00 0.00 C ATOM 606 O PRO A 39 -16.110 -17.350 16.583 1.00 0.00 O ATOM 607 CB PRO A 39 -18.068 -14.953 17.101 1.00 0.00 C ATOM 608 CG PRO A 39 -17.735 -14.751 15.625 1.00 0.00 C ATOM 609 CD PRO A 39 -16.296 -14.232 15.635 1.00 0.00 C ATOM 0 HA PRO A 39 -16.693 -15.054 18.781 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.801 -15.747 17.243 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.486 -14.050 17.546 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.819 -15.683 15.066 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.413 -14.037 15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.718 -14.678 14.826 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.273 -13.153 15.485 1.00 0.00 H new ATOM 617 N SER A 40 -16.564 -17.546 18.768 1.00 0.00 N ATOM 618 CA SER A 40 -16.258 -18.993 18.803 1.00 0.00 C ATOM 619 C SER A 40 -17.341 -19.870 18.139 1.00 0.00 C ATOM 620 O SER A 40 -17.037 -20.986 17.704 1.00 0.00 O ATOM 621 CB SER A 40 -16.026 -19.465 20.245 1.00 0.00 C ATOM 622 OG SER A 40 -14.921 -18.806 20.849 1.00 0.00 O ATOM 0 H SER A 40 -16.879 -17.161 19.659 1.00 0.00 H new ATOM 0 HA SER A 40 -15.346 -19.116 18.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.924 -19.282 20.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.854 -20.541 20.251 1.00 0.00 H new ATOM 0 HG SER A 40 -15.229 -17.986 21.289 1.00 0.00 H new ATOM 628 N GLU A 41 -18.576 -19.363 18.016 1.00 0.00 N ATOM 629 CA GLU A 41 -19.689 -19.984 17.287 1.00 0.00 C ATOM 630 C GLU A 41 -20.798 -18.952 17.033 1.00 0.00 C ATOM 631 O GLU A 41 -21.246 -18.270 17.958 1.00 0.00 O ATOM 632 CB GLU A 41 -20.230 -21.219 18.038 1.00 0.00 C ATOM 633 CG GLU A 41 -21.261 -21.984 17.200 1.00 0.00 C ATOM 634 CD GLU A 41 -21.566 -23.358 17.814 1.00 0.00 C ATOM 635 OE1 GLU A 41 -20.843 -24.334 17.495 1.00 0.00 O ATOM 636 OE2 GLU A 41 -22.532 -23.472 18.603 1.00 0.00 O ATOM 0 H GLU A 41 -18.836 -18.472 18.439 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.318 -20.331 16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.403 -21.882 18.292 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -20.685 -20.904 18.977 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -22.180 -21.402 17.129 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.886 -22.112 16.185 1.00 0.00 H new ATOM 643 N TYR A 42 -21.251 -18.823 15.784 1.00 0.00 N ATOM 644 CA TYR A 42 -22.204 -17.785 15.366 1.00 0.00 C ATOM 645 C TYR A 42 -23.625 -17.916 15.968 1.00 0.00 C ATOM 646 O TYR A 42 -24.064 -16.964 16.619 1.00 0.00 O ATOM 647 CB TYR A 42 -22.182 -17.627 13.836 1.00 0.00 C ATOM 648 CG TYR A 42 -23.102 -16.535 13.319 1.00 0.00 C ATOM 649 CD1 TYR A 42 -22.820 -15.186 13.615 1.00 0.00 C ATOM 650 CD2 TYR A 42 -24.258 -16.863 12.583 1.00 0.00 C ATOM 651 CE1 TYR A 42 -23.691 -14.171 13.177 1.00 0.00 C ATOM 652 CE2 TYR A 42 -25.125 -15.848 12.134 1.00 0.00 C ATOM 653 CZ TYR A 42 -24.840 -14.495 12.425 1.00 0.00 C ATOM 654 OH TYR A 42 -25.666 -13.505 11.983 1.00 0.00 O ATOM 0 H TYR A 42 -20.965 -19.441 15.025 1.00 0.00 H new ATOM 0 HA TYR A 42 -21.857 -16.849 15.803 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -21.162 -17.411 13.517 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -22.465 -18.575 13.378 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -21.935 -14.931 14.178 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -24.480 -17.897 12.362 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -23.479 -13.140 13.418 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -26.008 -16.104 11.567 1.00 0.00 H new ATOM 0 HH TYR A 42 -26.409 -13.899 11.480 1.00 0.00 H new ATOM 664 N PRO A 43 -24.332 -19.056 15.824 1.00 0.00 N ATOM 665 CA PRO A 43 -25.640 -19.276 16.443 1.00 0.00 C ATOM 666 C PRO A 43 -25.556 -19.456 17.970 1.00 0.00 C ATOM 667 O PRO A 43 -26.493 -19.078 18.674 1.00 0.00 O ATOM 668 CB PRO A 43 -26.206 -20.527 15.762 1.00 0.00 C ATOM 669 CG PRO A 43 -24.958 -21.304 15.342 1.00 0.00 C ATOM 670 CD PRO A 43 -23.980 -20.187 14.979 1.00 0.00 C ATOM 0 HA PRO A 43 -26.283 -18.407 16.305 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.829 -21.107 16.443 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.826 -20.270 14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -24.578 -21.929 16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -25.155 -21.962 14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -22.950 -20.498 15.153 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -24.060 -19.926 13.924 1.00 0.00 H new ATOM 678 N GLY A 44 -24.444 -20.005 18.488 1.00 0.00 N ATOM 679 CA GLY A 44 -24.219 -20.258 19.916 1.00 0.00 C ATOM 680 C GLY A 44 -24.798 -21.593 20.404 1.00 0.00 C ATOM 681 O GLY A 44 -25.753 -22.129 19.831 1.00 0.00 O ATOM 0 H GLY A 44 -23.657 -20.292 17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -23.147 -20.243 20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -24.662 -19.447 20.494 1.00 0.00 H new ATOM 685 N ALA A 45 -24.220 -22.120 21.487 1.00 0.00 N ATOM 686 CA ALA A 45 -24.587 -23.399 22.103 1.00 0.00 C ATOM 687 C ALA A 45 -25.619 -23.244 23.240 1.00 0.00 C ATOM 688 O ALA A 45 -25.671 -22.213 23.919 1.00 0.00 O ATOM 689 CB ALA A 45 -23.304 -24.068 22.618 1.00 0.00 C ATOM 0 H ALA A 45 -23.457 -21.652 21.976 1.00 0.00 H new ATOM 0 HA ALA A 45 -25.069 -24.021 21.349 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -23.552 -25.023 23.081 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -22.621 -24.235 21.785 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -22.826 -23.421 23.354 1.00 0.00 H new ATOM 695 N GLY A 46 -26.405 -24.303 23.476 1.00 0.00 N ATOM 696 CA GLY A 46 -27.296 -24.438 24.636 1.00 0.00 C ATOM 697 C GLY A 46 -26.625 -25.259 25.734 1.00 0.00 C ATOM 698 O GLY A 46 -26.193 -26.385 25.484 1.00 0.00 O ATOM 0 H GLY A 46 -26.440 -25.108 22.851 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.556 -23.451 25.019 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.227 -24.917 24.333 1.00 0.00 H new ATOM 702 N SER A 47 -26.554 -24.728 26.955 1.00 0.00 N ATOM 703 CA SER A 47 -25.779 -25.316 28.066 1.00 0.00 C ATOM 704 C SER A 47 -26.244 -26.726 28.476 1.00 0.00 C ATOM 705 O SER A 47 -25.442 -27.535 28.941 1.00 0.00 O ATOM 706 CB SER A 47 -25.841 -24.386 29.288 1.00 0.00 C ATOM 707 OG SER A 47 -25.418 -23.069 28.957 1.00 0.00 O ATOM 0 H SER A 47 -27.037 -23.867 27.211 1.00 0.00 H new ATOM 0 HA SER A 47 -24.757 -25.420 27.702 1.00 0.00 H new ATOM 0 HB2 SER A 47 -26.860 -24.357 29.674 1.00 0.00 H new ATOM 0 HB3 SER A 47 -25.210 -24.784 30.083 1.00 0.00 H new ATOM 0 HG SER A 47 -25.469 -22.499 29.753 1.00 0.00 H new ATOM 713 N SER A 48 -27.525 -27.051 28.269 1.00 0.00 N ATOM 714 CA SER A 48 -28.085 -28.396 28.490 1.00 0.00 C ATOM 715 C SER A 48 -27.651 -29.412 27.410 1.00 0.00 C ATOM 716 O SER A 48 -27.510 -30.603 27.700 1.00 0.00 O ATOM 717 CB SER A 48 -29.618 -28.300 28.548 1.00 0.00 C ATOM 718 OG SER A 48 -30.149 -27.603 27.425 1.00 0.00 O ATOM 0 H SER A 48 -28.216 -26.378 27.938 1.00 0.00 H new ATOM 0 HA SER A 48 -27.692 -28.767 29.437 1.00 0.00 H new ATOM 0 HB2 SER A 48 -30.043 -29.303 28.587 1.00 0.00 H new ATOM 0 HB3 SER A 48 -29.916 -27.791 29.465 1.00 0.00 H new ATOM 0 HG SER A 48 -31.126 -27.564 27.496 1.00 0.00 H new ATOM 724 N SER A 49 -27.396 -28.959 26.179 1.00 0.00 N ATOM 725 CA SER A 49 -26.853 -29.785 25.085 1.00 0.00 C ATOM 726 C SER A 49 -25.317 -29.887 25.147 1.00 0.00 C ATOM 727 O SER A 49 -24.768 -30.968 24.926 1.00 0.00 O ATOM 728 CB SER A 49 -27.273 -29.206 23.722 1.00 0.00 C ATOM 729 OG SER A 49 -28.690 -29.158 23.593 1.00 0.00 O ATOM 0 H SER A 49 -27.563 -27.991 25.905 1.00 0.00 H new ATOM 0 HA SER A 49 -27.263 -30.788 25.204 1.00 0.00 H new ATOM 0 HB2 SER A 49 -26.862 -28.203 23.609 1.00 0.00 H new ATOM 0 HB3 SER A 49 -26.854 -29.815 22.921 1.00 0.00 H new ATOM 0 HG SER A 49 -28.926 -28.784 22.718 1.00 0.00 H new ATOM 735 N VAL A 50 -24.629 -28.783 25.480 1.00 0.00 N ATOM 736 CA VAL A 50 -23.167 -28.688 25.672 1.00 0.00 C ATOM 737 C VAL A 50 -22.785 -27.336 26.293 1.00 0.00 C ATOM 738 O VAL A 50 -23.201 -26.282 25.814 1.00 0.00 O ATOM 739 CB VAL A 50 -22.365 -28.961 24.365 1.00 0.00 C ATOM 740 CG1 VAL A 50 -22.713 -28.010 23.205 1.00 0.00 C ATOM 741 CG2 VAL A 50 -20.848 -28.895 24.617 1.00 0.00 C ATOM 0 H VAL A 50 -25.096 -27.889 25.630 1.00 0.00 H new ATOM 0 HA VAL A 50 -22.888 -29.478 26.369 1.00 0.00 H new ATOM 0 HB VAL A 50 -22.659 -29.967 24.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -22.112 -28.266 22.332 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -23.770 -28.108 22.959 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -22.503 -26.982 23.502 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.316 -29.090 23.686 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.583 -27.904 24.986 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.569 -29.644 25.358 1.00 0.00 H new ATOM 751 N PHE A 51 -21.964 -27.379 27.348 1.00 0.00 N ATOM 752 CA PHE A 51 -21.393 -26.202 28.023 1.00 0.00 C ATOM 753 C PHE A 51 -19.880 -26.022 27.782 1.00 0.00 C ATOM 754 O PHE A 51 -19.312 -24.990 28.137 1.00 0.00 O ATOM 755 CB PHE A 51 -21.719 -26.298 29.523 1.00 0.00 C ATOM 756 CG PHE A 51 -21.147 -27.519 30.221 1.00 0.00 C ATOM 757 CD1 PHE A 51 -19.835 -27.495 30.735 1.00 0.00 C ATOM 758 CD2 PHE A 51 -21.924 -28.687 30.353 1.00 0.00 C ATOM 759 CE1 PHE A 51 -19.300 -28.632 31.367 1.00 0.00 C ATOM 760 CE2 PHE A 51 -21.391 -29.821 30.988 1.00 0.00 C ATOM 761 CZ PHE A 51 -20.079 -29.796 31.492 1.00 0.00 C ATOM 0 H PHE A 51 -21.668 -28.259 27.771 1.00 0.00 H new ATOM 0 HA PHE A 51 -21.849 -25.311 27.592 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -21.344 -25.403 30.020 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -22.802 -26.301 29.646 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -19.238 -26.600 30.643 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -22.932 -28.710 29.965 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -18.293 -28.611 31.756 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -21.990 -30.714 31.089 1.00 0.00 H new ATOM 0 HZ PHE A 51 -19.669 -30.671 31.975 1.00 0.00 H new ATOM 771 N SER A 52 -19.220 -26.997 27.149 1.00 0.00 N ATOM 772 CA SER A 52 -17.756 -27.084 26.986 1.00 0.00 C ATOM 773 C SER A 52 -17.152 -26.128 25.932 1.00 0.00 C ATOM 774 O SER A 52 -15.935 -26.143 25.726 1.00 0.00 O ATOM 775 CB SER A 52 -17.384 -28.536 26.623 1.00 0.00 C ATOM 776 OG SER A 52 -18.000 -29.475 27.498 1.00 0.00 O ATOM 0 H SER A 52 -19.707 -27.782 26.716 1.00 0.00 H new ATOM 0 HA SER A 52 -17.330 -26.772 27.940 1.00 0.00 H new ATOM 0 HB2 SER A 52 -17.687 -28.743 25.597 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.301 -28.655 26.666 1.00 0.00 H new ATOM 0 HG SER A 52 -17.743 -30.384 27.236 1.00 0.00 H new ATOM 782 N VAL A 53 -17.973 -25.314 25.254 1.00 0.00 N ATOM 783 CA VAL A 53 -17.559 -24.355 24.206 1.00 0.00 C ATOM 784 C VAL A 53 -18.077 -22.942 24.500 1.00 0.00 C ATOM 785 O VAL A 53 -19.114 -22.770 25.144 1.00 0.00 O ATOM 786 CB VAL A 53 -18.012 -24.787 22.788 1.00 0.00 C ATOM 787 CG1 VAL A 53 -17.415 -26.147 22.400 1.00 0.00 C ATOM 788 CG2 VAL A 53 -19.543 -24.822 22.616 1.00 0.00 C ATOM 0 H VAL A 53 -18.979 -25.300 25.422 1.00 0.00 H new ATOM 0 HA VAL A 53 -16.469 -24.349 24.224 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.631 -24.018 22.116 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.752 -26.421 21.400 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.327 -26.083 22.411 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -17.741 -26.904 23.113 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.788 -25.132 21.600 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.973 -25.529 23.325 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.953 -23.829 22.801 1.00 0.00 H new ATOM 798 N LEU A 54 -17.363 -21.933 23.991 1.00 0.00 N ATOM 799 CA LEU A 54 -17.773 -20.528 24.054 1.00 0.00 C ATOM 800 C LEU A 54 -18.777 -20.198 22.935 1.00 0.00 C ATOM 801 O LEU A 54 -18.739 -20.773 21.848 1.00 0.00 O ATOM 802 CB LEU A 54 -16.525 -19.616 23.967 1.00 0.00 C ATOM 803 CG LEU A 54 -15.691 -19.419 25.254 1.00 0.00 C ATOM 804 CD1 LEU A 54 -16.495 -18.693 26.346 1.00 0.00 C ATOM 805 CD2 LEU A 54 -15.108 -20.723 25.813 1.00 0.00 C ATOM 0 H LEU A 54 -16.471 -22.072 23.517 1.00 0.00 H new ATOM 0 HA LEU A 54 -18.273 -20.349 25.006 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.866 -20.020 23.199 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.850 -18.634 23.624 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.849 -18.795 24.955 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.876 -18.573 27.235 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.800 -17.712 25.982 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -17.380 -19.279 26.597 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.535 -20.508 26.715 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.919 -21.411 26.053 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.455 -21.178 25.069 1.00 0.00 H new ATOM 817 N SER A 55 -19.647 -19.220 23.194 1.00 0.00 N ATOM 818 CA SER A 55 -20.637 -18.686 22.233 1.00 0.00 C ATOM 819 C SER A 55 -20.476 -17.163 22.047 1.00 0.00 C ATOM 820 O SER A 55 -21.427 -16.459 21.699 1.00 0.00 O ATOM 821 CB SER A 55 -22.052 -19.043 22.722 1.00 0.00 C ATOM 822 OG SER A 55 -22.206 -20.450 22.837 1.00 0.00 O ATOM 0 H SER A 55 -19.690 -18.758 24.103 1.00 0.00 H new ATOM 0 HA SER A 55 -20.469 -19.141 21.257 1.00 0.00 H new ATOM 0 HB2 SER A 55 -22.237 -18.572 23.687 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.792 -18.647 22.027 1.00 0.00 H new ATOM 0 HG SER A 55 -22.848 -20.652 23.550 1.00 0.00 H new ATOM 828 N ASN A 56 -19.274 -16.636 22.317 1.00 0.00 N ATOM 829 CA ASN A 56 -18.979 -15.201 22.410 1.00 0.00 C ATOM 830 C ASN A 56 -19.227 -14.393 21.125 1.00 0.00 C ATOM 831 O ASN A 56 -19.247 -14.920 20.014 1.00 0.00 O ATOM 832 CB ASN A 56 -17.525 -15.011 22.878 1.00 0.00 C ATOM 833 CG ASN A 56 -16.487 -15.406 21.826 1.00 0.00 C ATOM 834 OD1 ASN A 56 -16.264 -16.580 21.569 1.00 0.00 O ATOM 835 ND2 ASN A 56 -15.848 -14.462 21.163 1.00 0.00 N ATOM 0 H ASN A 56 -18.453 -17.218 22.482 1.00 0.00 H new ATOM 0 HA ASN A 56 -19.688 -14.801 23.134 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.374 -13.967 23.152 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.361 -15.603 23.778 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.173 -14.714 20.441 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.029 -13.480 21.372 1.00 0.00 H new ATOM 842 N SER A 57 -19.355 -13.078 21.288 1.00 0.00 N ATOM 843 CA SER A 57 -19.376 -12.091 20.203 1.00 0.00 C ATOM 844 C SER A 57 -17.952 -11.658 19.807 1.00 0.00 C ATOM 845 O SER A 57 -16.989 -11.892 20.545 1.00 0.00 O ATOM 846 CB SER A 57 -20.234 -10.889 20.641 1.00 0.00 C ATOM 847 OG SER A 57 -19.857 -10.416 21.928 1.00 0.00 O ATOM 0 H SER A 57 -19.450 -12.652 22.210 1.00 0.00 H new ATOM 0 HA SER A 57 -19.818 -12.541 19.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.132 -10.084 19.913 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.285 -11.177 20.652 1.00 0.00 H new ATOM 0 HG SER A 57 -20.420 -9.653 22.174 1.00 0.00 H new ATOM 853 N ALA A 58 -17.794 -11.035 18.630 1.00 0.00 N ATOM 854 CA ALA A 58 -16.490 -10.560 18.171 1.00 0.00 C ATOM 855 C ALA A 58 -16.091 -9.294 18.950 1.00 0.00 C ATOM 856 O ALA A 58 -16.888 -8.360 19.033 1.00 0.00 O ATOM 857 CB ALA A 58 -16.551 -10.329 16.655 1.00 0.00 C ATOM 0 H ALA A 58 -18.558 -10.850 17.980 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.717 -11.304 18.364 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.583 -9.974 16.302 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.799 -11.265 16.154 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.314 -9.584 16.431 1.00 0.00 H new ATOM 863 N GLU A 59 -14.891 -9.267 19.535 1.00 0.00 N ATOM 864 CA GLU A 59 -14.449 -8.229 20.484 1.00 0.00 C ATOM 865 C GLU A 59 -13.314 -7.382 19.895 1.00 0.00 C ATOM 866 O GLU A 59 -12.371 -7.939 19.337 1.00 0.00 O ATOM 867 CB GLU A 59 -13.992 -8.906 21.791 1.00 0.00 C ATOM 868 CG GLU A 59 -13.723 -7.914 22.928 1.00 0.00 C ATOM 869 CD GLU A 59 -13.381 -8.655 24.229 1.00 0.00 C ATOM 870 OE1 GLU A 59 -14.309 -9.145 24.913 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.181 -8.751 24.580 1.00 0.00 O ATOM 0 H GLU A 59 -14.181 -9.979 19.362 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.284 -7.559 20.688 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.756 -9.615 22.110 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.086 -9.479 21.597 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.900 -7.254 22.653 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.599 -7.284 23.082 1.00 0.00 H new ATOM 878 N VAL A 60 -13.375 -6.054 20.030 1.00 0.00 N ATOM 879 CA VAL A 60 -12.306 -5.135 19.590 1.00 0.00 C ATOM 880 C VAL A 60 -11.221 -5.018 20.667 1.00 0.00 C ATOM 881 O VAL A 60 -11.527 -4.696 21.816 1.00 0.00 O ATOM 882 CB VAL A 60 -12.844 -3.733 19.235 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.713 -2.834 18.701 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.949 -3.826 18.169 1.00 0.00 C ATOM 0 H VAL A 60 -14.172 -5.576 20.451 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.877 -5.562 18.684 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.255 -3.299 20.147 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.115 -1.850 18.457 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.940 -2.732 19.462 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.283 -3.283 17.805 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.313 -2.826 17.934 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.546 -4.286 17.267 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -14.771 -4.432 18.549 1.00 0.00 H new ATOM 894 N LYS A 61 -9.956 -5.265 20.299 1.00 0.00 N ATOM 895 CA LYS A 61 -8.819 -5.408 21.228 1.00 0.00 C ATOM 896 C LYS A 61 -7.525 -4.725 20.721 1.00 0.00 C ATOM 897 O LYS A 61 -7.317 -4.569 19.515 1.00 0.00 O ATOM 898 CB LYS A 61 -8.566 -6.913 21.494 1.00 0.00 C ATOM 899 CG LYS A 61 -9.815 -7.660 21.998 1.00 0.00 C ATOM 900 CD LYS A 61 -9.549 -9.131 22.355 1.00 0.00 C ATOM 901 CE LYS A 61 -8.751 -9.366 23.649 1.00 0.00 C ATOM 902 NZ LYS A 61 -9.417 -8.789 24.849 1.00 0.00 N ATOM 0 H LYS A 61 -9.685 -5.374 19.322 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.088 -4.898 22.153 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.216 -7.384 20.575 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.768 -7.016 22.229 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.206 -7.146 22.876 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.589 -7.615 21.232 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.507 -9.644 22.441 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.012 -9.596 21.528 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.612 -10.437 23.796 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.759 -8.928 23.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.997 -9.197 25.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.287 -7.757 24.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.433 -9.010 24.822 1.00 0.00 H new ATOM 916 N ARG A 62 -6.645 -4.329 21.656 1.00 0.00 N ATOM 917 CA ARG A 62 -5.304 -3.758 21.398 1.00 0.00 C ATOM 918 C ARG A 62 -4.216 -4.837 21.545 1.00 0.00 C ATOM 919 O ARG A 62 -4.262 -5.625 22.489 1.00 0.00 O ATOM 920 CB ARG A 62 -5.070 -2.584 22.371 1.00 0.00 C ATOM 921 CG ARG A 62 -3.713 -1.883 22.167 1.00 0.00 C ATOM 922 CD ARG A 62 -3.604 -0.581 22.974 1.00 0.00 C ATOM 923 NE ARG A 62 -3.619 -0.828 24.430 1.00 0.00 N ATOM 924 CZ ARG A 62 -3.740 0.087 25.387 1.00 0.00 C ATOM 925 NH1 ARG A 62 -3.858 1.371 25.111 1.00 0.00 N ATOM 926 NH2 ARG A 62 -3.739 -0.285 26.648 1.00 0.00 N ATOM 0 H ARG A 62 -6.852 -4.399 22.652 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.250 -3.388 20.374 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.870 -1.854 22.247 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.130 -2.953 23.395 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.910 -2.559 22.461 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.575 -1.665 21.108 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.684 -0.063 22.704 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.430 0.079 22.710 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.527 -1.798 24.732 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.858 1.686 24.141 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.949 2.049 25.868 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.646 -1.272 26.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.832 0.413 27.386 1.00 0.00 H new ATOM 940 N GLU A 63 -3.234 -4.853 20.639 1.00 0.00 N ATOM 941 CA GLU A 63 -2.201 -5.898 20.546 1.00 0.00 C ATOM 942 C GLU A 63 -1.028 -5.460 19.649 1.00 0.00 C ATOM 943 O GLU A 63 -1.088 -4.412 19.000 1.00 0.00 O ATOM 944 CB GLU A 63 -2.879 -7.203 20.056 1.00 0.00 C ATOM 945 CG GLU A 63 -2.051 -8.492 20.112 1.00 0.00 C ATOM 946 CD GLU A 63 -1.387 -8.688 21.482 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.056 -9.168 22.428 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.195 -8.326 21.622 1.00 0.00 O ATOM 0 H GLU A 63 -3.130 -4.125 19.932 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.758 -6.077 21.526 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.781 -7.356 20.648 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.196 -7.051 19.024 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.693 -9.345 19.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.284 -8.465 19.338 1.00 0.00 H new ATOM 955 N ARG A 64 0.047 -6.248 19.607 1.00 0.00 N ATOM 956 CA ARG A 64 1.220 -6.038 18.747 1.00 0.00 C ATOM 957 C ARG A 64 1.102 -6.791 17.416 1.00 0.00 C ATOM 958 O ARG A 64 0.540 -7.889 17.347 1.00 0.00 O ATOM 959 CB ARG A 64 2.502 -6.449 19.486 1.00 0.00 C ATOM 960 CG ARG A 64 2.753 -5.553 20.706 1.00 0.00 C ATOM 961 CD ARG A 64 4.054 -5.933 21.417 1.00 0.00 C ATOM 962 NE ARG A 64 4.280 -5.075 22.595 1.00 0.00 N ATOM 963 CZ ARG A 64 3.808 -5.257 23.825 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.061 -6.292 24.150 1.00 0.00 N ATOM 965 NH2 ARG A 64 4.086 -4.372 24.760 1.00 0.00 N ATOM 0 H ARG A 64 0.131 -7.081 20.190 1.00 0.00 H new ATOM 0 HA ARG A 64 1.268 -4.975 18.513 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.423 -7.488 19.805 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.352 -6.388 18.806 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.799 -4.511 20.391 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.918 -5.639 21.401 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.013 -6.978 21.726 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.892 -5.837 20.726 1.00 0.00 H new ATOM 0 HE ARG A 64 4.863 -4.251 22.450 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.824 -6.991 23.446 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.719 -6.394 25.106 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.658 -3.557 24.537 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.729 -4.501 25.707 1.00 0.00 H new ATOM 979 N LEU A 65 1.652 -6.207 16.344 1.00 0.00 N ATOM 980 CA LEU A 65 1.513 -6.682 14.961 1.00 0.00 C ATOM 981 C LEU A 65 1.866 -8.168 14.832 1.00 0.00 C ATOM 982 O LEU A 65 1.024 -8.955 14.410 1.00 0.00 O ATOM 983 CB LEU A 65 2.389 -5.798 14.043 1.00 0.00 C ATOM 984 CG LEU A 65 2.354 -6.200 12.548 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.967 -5.966 11.935 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.403 -5.401 11.762 1.00 0.00 C ATOM 0 H LEU A 65 2.223 -5.365 16.417 1.00 0.00 H new ATOM 0 HA LEU A 65 0.471 -6.595 14.653 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.062 -4.762 14.136 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.420 -5.840 14.394 1.00 0.00 H new ATOM 0 HG LEU A 65 2.580 -7.265 12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.979 -6.259 10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.228 -6.562 12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.708 -4.910 12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.370 -5.691 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.190 -4.336 11.851 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.395 -5.608 12.165 1.00 0.00 H new ATOM 998 N GLU A 66 3.067 -8.568 15.247 1.00 0.00 N ATOM 999 CA GLU A 66 3.560 -9.937 15.097 1.00 0.00 C ATOM 1000 C GLU A 66 2.725 -10.978 15.867 1.00 0.00 C ATOM 1001 O GLU A 66 2.662 -12.131 15.442 1.00 0.00 O ATOM 1002 CB GLU A 66 5.061 -10.022 15.435 1.00 0.00 C ATOM 1003 CG GLU A 66 5.448 -9.910 16.919 1.00 0.00 C ATOM 1004 CD GLU A 66 5.194 -8.540 17.573 1.00 0.00 C ATOM 1005 OE1 GLU A 66 5.071 -7.514 16.861 1.00 0.00 O ATOM 1006 OE2 GLU A 66 5.123 -8.491 18.823 1.00 0.00 O ATOM 0 H GLU A 66 3.733 -7.944 15.702 1.00 0.00 H new ATOM 0 HA GLU A 66 3.438 -10.199 14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.441 -10.971 15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.577 -9.232 14.889 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.897 -10.666 17.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.507 -10.149 17.019 1.00 0.00 H new ATOM 1013 N ASP A 67 2.023 -10.589 16.941 1.00 0.00 N ATOM 1014 CA ASP A 67 1.106 -11.480 17.663 1.00 0.00 C ATOM 1015 C ASP A 67 -0.221 -11.641 16.905 1.00 0.00 C ATOM 1016 O ASP A 67 -0.732 -12.756 16.797 1.00 0.00 O ATOM 1017 CB ASP A 67 0.877 -10.955 19.087 1.00 0.00 C ATOM 1018 CG ASP A 67 0.007 -11.925 19.904 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -1.240 -11.810 19.852 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.581 -12.809 20.584 1.00 0.00 O ATOM 0 H ASP A 67 2.075 -9.649 17.333 1.00 0.00 H new ATOM 0 HA ASP A 67 1.561 -12.468 17.730 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.837 -10.816 19.585 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.395 -9.978 19.044 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.744 -10.550 16.324 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.935 -10.595 15.450 1.00 0.00 C ATOM 1027 C VAL A 68 -1.651 -11.323 14.131 1.00 0.00 C ATOM 1028 O VAL A 68 -2.502 -12.054 13.631 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.561 -9.203 15.214 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.890 -9.295 14.442 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.860 -8.520 16.557 1.00 0.00 C ATOM 0 H VAL A 68 -0.358 -9.614 16.444 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.682 -11.178 15.988 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.838 -8.631 14.632 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.297 -8.294 14.297 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.716 -9.760 13.472 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.600 -9.896 15.010 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.301 -7.540 16.376 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.558 -9.132 17.129 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.934 -8.403 17.120 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.441 -11.177 13.596 1.00 0.00 N ATOM 1042 CA VAL A 69 -0.020 -11.801 12.337 1.00 0.00 C ATOM 1043 C VAL A 69 0.341 -13.283 12.515 1.00 0.00 C ATOM 1044 O VAL A 69 -0.003 -14.093 11.655 1.00 0.00 O ATOM 1045 CB VAL A 69 1.121 -10.970 11.720 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.790 -11.649 10.521 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.549 -9.611 11.282 1.00 0.00 C ATOM 0 H VAL A 69 0.289 -10.613 14.030 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.858 -11.801 11.639 1.00 0.00 H new ATOM 0 HB VAL A 69 1.893 -10.857 12.482 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.584 -11.009 10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.213 -12.604 10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.050 -11.818 9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.343 -9.007 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.239 -9.768 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.137 -9.093 12.148 1.00 0.00 H new ATOM 1057 N GLY A 70 1.005 -13.663 13.617 1.00 0.00 N ATOM 1058 CA GLY A 70 1.264 -15.067 13.979 1.00 0.00 C ATOM 1059 C GLY A 70 2.171 -15.831 13.006 1.00 0.00 C ATOM 1060 O GLY A 70 2.108 -17.060 12.953 1.00 0.00 O ATOM 0 H GLY A 70 1.382 -12.997 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.716 -15.093 14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.310 -15.590 14.050 1.00 0.00 H new ATOM 1064 N GLY A 71 2.958 -15.112 12.193 1.00 0.00 N ATOM 1065 CA GLY A 71 3.793 -15.666 11.114 1.00 0.00 C ATOM 1066 C GLY A 71 3.041 -15.976 9.809 1.00 0.00 C ATOM 1067 O GLY A 71 3.650 -16.497 8.872 1.00 0.00 O ATOM 0 H GLY A 71 3.034 -14.098 12.269 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.595 -14.960 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.263 -16.582 11.472 1.00 0.00 H new ATOM 1071 N CYS A 72 1.739 -15.678 9.736 1.00 0.00 N ATOM 1072 CA CYS A 72 0.892 -15.874 8.551 1.00 0.00 C ATOM 1073 C CYS A 72 0.968 -14.685 7.564 1.00 0.00 C ATOM 1074 O CYS A 72 1.605 -13.665 7.838 1.00 0.00 O ATOM 1075 CB CYS A 72 -0.547 -16.152 9.029 1.00 0.00 C ATOM 1076 SG CYS A 72 -0.591 -17.679 10.017 1.00 0.00 S ATOM 0 H CYS A 72 1.228 -15.281 10.525 1.00 0.00 H new ATOM 0 HA CYS A 72 1.257 -16.730 7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.910 -15.314 9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.212 -16.245 8.171 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.808 -17.902 10.417 1.00 0.00 H new ATOM 1082 N CYS A 73 0.304 -14.810 6.410 1.00 0.00 N ATOM 1083 CA CYS A 73 0.261 -13.777 5.363 1.00 0.00 C ATOM 1084 C CYS A 73 -0.556 -12.535 5.783 1.00 0.00 C ATOM 1085 O CYS A 73 -1.538 -12.641 6.523 1.00 0.00 O ATOM 1086 CB CYS A 73 -0.304 -14.405 4.073 1.00 0.00 C ATOM 1087 SG CYS A 73 0.714 -15.824 3.552 1.00 0.00 S ATOM 0 H CYS A 73 -0.229 -15.646 6.171 1.00 0.00 H new ATOM 0 HA CYS A 73 1.276 -13.419 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.331 -14.729 4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.330 -13.658 3.280 1.00 0.00 H new ATOM 0 HG CYS A 73 0.218 -16.338 2.466 1.00 0.00 H new ATOM 1093 N TYR A 74 -0.190 -11.367 5.242 1.00 0.00 N ATOM 1094 CA TYR A 74 -0.892 -10.087 5.444 1.00 0.00 C ATOM 1095 C TYR A 74 -0.565 -9.028 4.367 1.00 0.00 C ATOM 1096 O TYR A 74 0.413 -9.158 3.627 1.00 0.00 O ATOM 1097 CB TYR A 74 -0.630 -9.538 6.860 1.00 0.00 C ATOM 1098 CG TYR A 74 0.774 -9.016 7.088 1.00 0.00 C ATOM 1099 CD1 TYR A 74 1.791 -9.893 7.501 1.00 0.00 C ATOM 1100 CD2 TYR A 74 1.067 -7.656 6.863 1.00 0.00 C ATOM 1101 CE1 TYR A 74 3.104 -9.420 7.690 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.380 -7.180 7.028 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.404 -8.063 7.437 1.00 0.00 C ATOM 1104 OH TYR A 74 4.688 -7.630 7.533 1.00 0.00 O ATOM 0 H TYR A 74 0.625 -11.280 4.634 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.956 -10.301 5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.339 -8.734 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.831 -10.328 7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.565 -10.935 7.674 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.282 -6.978 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.879 -10.092 8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.605 -6.140 6.842 1.00 0.00 H new ATOM 0 HH TYR A 74 4.866 -6.974 6.827 1.00 0.00 H new ATOM 1114 N ARG A 75 -1.395 -7.978 4.285 1.00 0.00 N ATOM 1115 CA ARG A 75 -1.347 -6.887 3.288 1.00 0.00 C ATOM 1116 C ARG A 75 -2.192 -5.687 3.746 1.00 0.00 C ATOM 1117 O ARG A 75 -3.013 -5.855 4.641 1.00 0.00 O ATOM 1118 CB ARG A 75 -1.733 -7.371 1.867 1.00 0.00 C ATOM 1119 CG ARG A 75 -3.150 -7.954 1.709 1.00 0.00 C ATOM 1120 CD ARG A 75 -3.239 -9.402 2.200 1.00 0.00 C ATOM 1121 NE ARG A 75 -4.567 -9.980 1.952 1.00 0.00 N ATOM 1122 CZ ARG A 75 -4.909 -11.261 1.955 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -4.057 -12.249 2.137 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -6.173 -11.547 1.786 1.00 0.00 N ATOM 0 H ARG A 75 -2.162 -7.856 4.947 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.312 -6.551 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.629 -6.532 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.014 -8.129 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.858 -7.340 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.444 -7.909 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.481 -10.003 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.020 -9.438 3.267 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.316 -9.316 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.068 -12.049 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.386 -13.214 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.853 -10.797 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.480 -12.520 1.782 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.017 -4.495 3.164 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.829 -3.296 3.487 1.00 0.00 C ATOM 1140 C VAL A 76 -3.785 -2.920 2.347 1.00 0.00 C ATOM 1141 O VAL A 76 -3.448 -3.073 1.173 1.00 0.00 O ATOM 1142 CB VAL A 76 -1.955 -2.093 3.917 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.729 -0.775 4.118 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.253 -2.429 5.242 1.00 0.00 C ATOM 0 H VAL A 76 -1.307 -4.325 2.451 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.444 -3.565 4.346 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.255 -1.931 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.037 0.011 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.216 -0.493 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.483 -0.910 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.635 -1.586 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.001 -2.631 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.624 -3.309 5.108 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.971 -2.418 2.713 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.045 -2.003 1.804 1.00 0.00 C ATOM 1156 C ASN A 77 -6.656 -0.622 2.160 1.00 0.00 C ATOM 1157 O ASN A 77 -6.696 -0.219 3.322 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.135 -3.088 1.839 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.238 -2.807 0.828 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.258 -2.210 1.143 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.026 -3.137 -0.432 1.00 0.00 N ATOM 0 H ASN A 77 -5.218 -2.284 3.694 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.621 -1.891 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.688 -4.060 1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.563 -3.142 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.713 -2.894 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.175 -3.635 -0.693 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.176 0.082 1.141 1.00 0.00 N ATOM 1169 CA ASN A 78 -7.865 1.381 1.248 1.00 0.00 C ATOM 1170 C ASN A 78 -9.027 1.519 0.222 1.00 0.00 C ATOM 1171 O ASN A 78 -9.315 2.617 -0.250 1.00 0.00 O ATOM 1172 CB ASN A 78 -6.814 2.507 1.082 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.913 2.685 2.302 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -4.782 2.212 2.338 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -6.372 3.396 3.319 1.00 0.00 N ATOM 0 H ASN A 78 -7.126 -0.252 0.179 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.332 1.458 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.195 2.290 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.329 3.446 0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.784 3.553 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -7.313 3.787 3.284 1.00 0.00 H new ATOM 1182 N SER A 79 -9.703 0.425 -0.159 1.00 0.00 N ATOM 1183 CA SER A 79 -10.657 0.415 -1.293 1.00 0.00 C ATOM 1184 C SER A 79 -11.857 1.369 -1.182 1.00 0.00 C ATOM 1185 O SER A 79 -12.260 1.939 -2.196 1.00 0.00 O ATOM 1186 CB SER A 79 -11.171 -1.005 -1.573 1.00 0.00 C ATOM 1187 OG SER A 79 -10.133 -1.850 -2.050 1.00 0.00 O ATOM 0 H SER A 79 -9.609 -0.479 0.305 1.00 0.00 H new ATOM 0 HA SER A 79 -10.059 0.791 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.594 -1.426 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.975 -0.964 -2.308 1.00 0.00 H new ATOM 0 HG SER A 79 -10.492 -2.747 -2.217 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.410 1.577 0.020 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.424 2.619 0.274 1.00 0.00 C ATOM 1195 C LEU A 80 -12.807 3.931 0.763 1.00 0.00 C ATOM 1196 O LEU A 80 -13.340 5.003 0.498 1.00 0.00 O ATOM 1197 CB LEU A 80 -14.462 2.112 1.291 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.443 1.051 0.758 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -16.507 0.783 1.834 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -16.138 1.490 -0.544 1.00 0.00 C ATOM 0 H LEU A 80 -12.170 1.030 0.846 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.913 2.828 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.933 1.696 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.037 2.964 1.654 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.872 0.150 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.210 0.033 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.024 0.419 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.043 1.706 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.818 0.706 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.701 2.406 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.388 1.669 -1.314 1.00 0.00 H new ATOM 1212 N ASP A 81 -11.669 3.864 1.450 1.00 0.00 N ATOM 1213 CA ASP A 81 -10.984 5.017 2.028 1.00 0.00 C ATOM 1214 C ASP A 81 -10.481 5.994 0.952 1.00 0.00 C ATOM 1215 O ASP A 81 -10.467 7.206 1.161 1.00 0.00 O ATOM 1216 CB ASP A 81 -9.807 4.517 2.889 1.00 0.00 C ATOM 1217 CG ASP A 81 -10.145 3.399 3.887 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.539 2.292 3.449 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -9.987 3.644 5.103 1.00 0.00 O ATOM 0 H ASP A 81 -11.185 2.983 1.624 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.697 5.566 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.019 4.161 2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.399 5.363 3.442 1.00 0.00 H new ATOM 1224 N HIS A 82 -10.135 5.459 -0.221 1.00 0.00 N ATOM 1225 CA HIS A 82 -9.817 6.215 -1.433 1.00 0.00 C ATOM 1226 C HIS A 82 -11.041 6.965 -2.021 1.00 0.00 C ATOM 1227 O HIS A 82 -10.869 7.956 -2.738 1.00 0.00 O ATOM 1228 CB HIS A 82 -9.257 5.197 -2.445 1.00 0.00 C ATOM 1229 CG HIS A 82 -8.882 5.777 -3.788 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -9.692 5.845 -4.899 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -7.667 6.307 -4.142 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -8.987 6.407 -5.895 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -7.739 6.709 -5.484 1.00 0.00 N ATOM 0 H HIS A 82 -10.066 4.450 -0.357 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.093 6.996 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.377 4.722 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -9.999 4.413 -2.598 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.659 5.525 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.804 6.399 -3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.368 6.592 -6.889 1.00 0.00 H new ATOM 1241 N GLU A 83 -12.271 6.522 -1.721 1.00 0.00 N ATOM 1242 CA GLU A 83 -13.484 6.999 -2.395 1.00 0.00 C ATOM 1243 C GLU A 83 -14.135 8.235 -1.762 1.00 0.00 C ATOM 1244 O GLU A 83 -14.511 9.174 -2.471 1.00 0.00 O ATOM 1245 CB GLU A 83 -14.529 5.870 -2.519 1.00 0.00 C ATOM 1246 CG GLU A 83 -14.012 4.653 -3.301 1.00 0.00 C ATOM 1247 CD GLU A 83 -13.631 5.004 -4.745 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -14.546 5.181 -5.587 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -12.417 5.094 -5.054 1.00 0.00 O ATOM 0 H GLU A 83 -12.451 5.821 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.141 7.311 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.831 5.552 -1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.419 6.260 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.143 4.238 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.778 3.877 -3.309 1.00 0.00 H new ATOM 1256 N TYR A 84 -14.276 8.243 -0.435 1.00 0.00 N ATOM 1257 CA TYR A 84 -15.092 9.244 0.265 1.00 0.00 C ATOM 1258 C TYR A 84 -14.350 10.469 0.826 1.00 0.00 C ATOM 1259 O TYR A 84 -14.941 11.549 0.899 1.00 0.00 O ATOM 1260 CB TYR A 84 -15.830 8.548 1.416 1.00 0.00 C ATOM 1261 CG TYR A 84 -16.679 7.363 1.003 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -17.728 7.530 0.078 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.415 6.089 1.540 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -18.505 6.427 -0.325 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -17.195 4.985 1.152 1.00 0.00 C ATOM 1266 CZ TYR A 84 -18.236 5.147 0.209 1.00 0.00 C ATOM 1267 OH TYR A 84 -18.983 4.077 -0.177 1.00 0.00 O ATOM 0 H TYR A 84 -13.833 7.563 0.183 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.757 9.649 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -15.096 8.213 2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.468 9.278 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.938 8.510 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -15.612 5.959 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -19.304 6.559 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.998 4.011 1.575 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.665 3.273 0.284 1.00 0.00 H new ATOM 1277 N GLN A 85 -13.105 10.307 1.299 1.00 0.00 N ATOM 1278 CA GLN A 85 -12.582 11.139 2.395 1.00 0.00 C ATOM 1279 C GLN A 85 -11.101 11.561 2.252 1.00 0.00 C ATOM 1280 O GLN A 85 -10.333 10.865 1.579 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.839 10.369 3.708 1.00 0.00 C ATOM 1282 CG GLN A 85 -12.054 9.055 3.903 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.277 8.460 5.297 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -12.179 9.133 6.310 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -12.570 7.184 5.424 1.00 0.00 N ATOM 0 H GLN A 85 -12.446 9.614 0.944 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.108 12.094 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.607 11.031 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.903 10.142 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -12.361 8.333 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.991 9.241 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.659 6.596 4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.709 6.782 6.351 1.00 0.00 H new ATOM 1294 N PRO A 86 -10.672 12.652 2.934 1.00 0.00 N ATOM 1295 CA PRO A 86 -9.264 13.053 3.045 1.00 0.00 C ATOM 1296 C PRO A 86 -8.441 12.126 3.948 1.00 0.00 C ATOM 1297 O PRO A 86 -7.213 12.134 3.860 1.00 0.00 O ATOM 1298 CB PRO A 86 -9.283 14.468 3.641 1.00 0.00 C ATOM 1299 CG PRO A 86 -10.576 14.502 4.452 1.00 0.00 C ATOM 1300 CD PRO A 86 -11.517 13.620 3.633 1.00 0.00 C ATOM 0 HA PRO A 86 -8.791 13.005 2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.411 14.649 4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.279 15.231 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.431 14.112 5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.961 15.516 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.235 13.114 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -12.091 14.217 2.925 1.00 0.00 H new ATOM 1308 N ARG A 87 -9.105 11.348 4.820 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.521 10.314 5.684 1.00 0.00 C ATOM 1310 C ARG A 87 -7.589 10.916 6.765 1.00 0.00 C ATOM 1311 O ARG A 87 -6.365 10.822 6.651 1.00 0.00 O ATOM 1312 CB ARG A 87 -7.881 9.226 4.790 1.00 0.00 C ATOM 1313 CG ARG A 87 -7.629 7.883 5.492 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.916 7.264 6.067 1.00 0.00 C ATOM 1315 NE ARG A 87 -8.781 5.821 6.327 1.00 0.00 N ATOM 1316 CZ ARG A 87 -7.973 5.188 7.165 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -7.082 5.806 7.906 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -8.074 3.885 7.262 1.00 0.00 N ATOM 0 H ARG A 87 -10.114 11.429 4.946 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.297 9.825 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.529 9.055 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.933 9.603 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.180 7.186 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.909 8.028 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.178 7.774 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.737 7.429 5.370 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.400 5.221 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.989 6.820 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.483 5.272 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.762 3.384 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.465 3.372 7.899 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.150 11.533 7.831 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.394 12.188 8.903 1.00 0.00 C ATOM 1334 C PRO A 88 -6.766 11.138 9.828 1.00 0.00 C ATOM 1335 O PRO A 88 -7.303 10.828 10.884 1.00 0.00 O ATOM 1336 CB PRO A 88 -8.415 13.093 9.604 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.717 12.308 9.462 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.584 11.698 8.070 1.00 0.00 C ATOM 0 HA PRO A 88 -6.551 12.779 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.156 13.261 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.480 14.073 9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.816 11.543 10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.591 12.954 9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.101 10.740 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.032 12.346 7.317 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.629 10.570 9.418 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.980 9.391 10.037 1.00 0.00 C ATOM 1348 C VAL A 89 -4.883 9.453 11.565 1.00 0.00 C ATOM 1349 O VAL A 89 -5.178 8.457 12.217 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.596 9.153 9.373 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.593 8.360 10.229 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.809 8.443 8.024 1.00 0.00 C ATOM 0 H VAL A 89 -5.108 10.925 8.616 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.627 8.535 9.847 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.145 10.137 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.658 8.245 9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.405 8.896 11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.005 7.376 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.844 8.270 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.308 7.488 8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.426 9.067 7.378 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.557 10.608 12.151 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.433 10.744 13.616 1.00 0.00 C ATOM 1364 C GLU A 90 -5.800 10.599 14.306 1.00 0.00 C ATOM 1365 O GLU A 90 -5.919 9.955 15.345 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.796 12.093 13.990 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.433 12.300 13.326 1.00 0.00 C ATOM 1368 CD GLU A 90 -1.727 13.538 13.895 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -1.947 14.657 13.372 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -0.941 13.405 14.862 1.00 0.00 O ATOM 0 H GLU A 90 -4.372 11.469 11.636 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.784 9.941 13.965 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.466 12.901 13.697 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.682 12.150 15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.811 11.419 13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.562 12.413 12.250 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.851 11.140 13.681 1.00 0.00 N ATOM 1378 CA VAL A 91 -8.237 11.072 14.176 1.00 0.00 C ATOM 1379 C VAL A 91 -8.782 9.646 14.010 1.00 0.00 C ATOM 1380 O VAL A 91 -9.438 9.140 14.918 1.00 0.00 O ATOM 1381 CB VAL A 91 -9.135 12.108 13.458 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.575 12.107 13.994 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.546 13.527 13.576 1.00 0.00 C ATOM 0 H VAL A 91 -6.764 11.648 12.800 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.244 11.321 15.237 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.165 11.812 12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.164 12.851 13.457 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.017 11.121 13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.568 12.348 15.057 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.197 14.235 13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.468 13.802 14.628 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.556 13.549 13.121 1.00 0.00 H new ATOM 1393 N ILE A 92 -8.443 8.955 12.909 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.778 7.526 12.729 1.00 0.00 C ATOM 1395 C ILE A 92 -8.087 6.674 13.807 1.00 0.00 C ATOM 1396 O ILE A 92 -8.760 5.896 14.477 1.00 0.00 O ATOM 1397 CB ILE A 92 -8.455 7.047 11.291 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -9.086 7.913 10.169 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.888 5.580 11.118 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -10.588 8.224 10.267 1.00 0.00 C ATOM 0 H ILE A 92 -7.934 9.363 12.124 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.853 7.400 12.857 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.376 7.150 11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.549 8.861 10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.909 7.411 9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.658 5.250 10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.353 4.956 11.833 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.960 5.494 11.293 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.889 8.836 9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.154 7.292 10.262 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.788 8.764 11.192 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.789 6.878 14.055 1.00 0.00 N ATOM 1413 CA ILE A 93 -6.022 6.185 15.116 1.00 0.00 C ATOM 1414 C ILE A 93 -6.594 6.468 16.512 1.00 0.00 C ATOM 1415 O ILE A 93 -6.674 5.562 17.338 1.00 0.00 O ATOM 1416 CB ILE A 93 -4.525 6.580 14.997 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.910 5.870 13.766 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -3.721 6.271 16.278 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.489 6.333 13.413 1.00 0.00 C ATOM 0 H ILE A 93 -6.225 7.539 13.520 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.110 5.107 14.977 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.471 7.661 14.865 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.894 4.796 13.951 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.558 6.035 12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.682 6.568 16.136 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.145 6.824 17.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.767 5.202 16.488 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.134 5.786 12.540 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.498 7.401 13.193 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.824 6.142 14.255 1.00 0.00 H new ATOM 1431 N SER A 94 -7.034 7.695 16.783 1.00 0.00 N ATOM 1432 CA SER A 94 -7.666 8.043 18.059 1.00 0.00 C ATOM 1433 C SER A 94 -9.003 7.307 18.218 1.00 0.00 C ATOM 1434 O SER A 94 -9.284 6.717 19.264 1.00 0.00 O ATOM 1435 CB SER A 94 -7.835 9.569 18.142 1.00 0.00 C ATOM 1436 OG SER A 94 -8.283 9.968 19.427 1.00 0.00 O ATOM 0 H SER A 94 -6.964 8.475 16.129 1.00 0.00 H new ATOM 0 HA SER A 94 -7.029 7.724 18.884 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.885 10.055 17.918 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.548 9.900 17.387 1.00 0.00 H new ATOM 0 HG SER A 94 -8.380 10.943 19.451 1.00 0.00 H new ATOM 1442 N SER A 95 -9.796 7.247 17.145 1.00 0.00 N ATOM 1443 CA SER A 95 -11.057 6.506 17.115 1.00 0.00 C ATOM 1444 C SER A 95 -10.848 4.998 17.356 1.00 0.00 C ATOM 1445 O SER A 95 -11.610 4.379 18.103 1.00 0.00 O ATOM 1446 CB SER A 95 -11.781 6.796 15.788 1.00 0.00 C ATOM 1447 OG SER A 95 -11.384 5.965 14.708 1.00 0.00 O ATOM 0 H SER A 95 -9.578 7.716 16.266 1.00 0.00 H new ATOM 0 HA SER A 95 -11.689 6.846 17.936 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.854 6.683 15.942 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.606 7.836 15.513 1.00 0.00 H new ATOM 0 HG SER A 95 -10.460 6.173 14.458 1.00 0.00 H new ATOM 1453 N ALA A 96 -9.768 4.423 16.803 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.393 3.024 16.986 1.00 0.00 C ATOM 1455 C ALA A 96 -9.065 2.720 18.452 1.00 0.00 C ATOM 1456 O ALA A 96 -9.634 1.793 19.029 1.00 0.00 O ATOM 1457 CB ALA A 96 -8.222 2.721 16.041 1.00 0.00 C ATOM 0 H ALA A 96 -9.121 4.935 16.204 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.229 2.371 16.736 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.921 1.680 16.157 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.531 2.897 15.011 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.381 3.371 16.283 1.00 0.00 H new ATOM 1463 N LYS A 97 -8.213 3.536 19.083 1.00 0.00 N ATOM 1464 CA LYS A 97 -7.897 3.405 20.511 1.00 0.00 C ATOM 1465 C LYS A 97 -9.140 3.591 21.405 1.00 0.00 C ATOM 1466 O LYS A 97 -9.299 2.859 22.385 1.00 0.00 O ATOM 1467 CB LYS A 97 -6.777 4.397 20.878 1.00 0.00 C ATOM 1468 CG LYS A 97 -5.432 4.003 20.241 1.00 0.00 C ATOM 1469 CD LYS A 97 -4.268 4.901 20.687 1.00 0.00 C ATOM 1470 CE LYS A 97 -4.471 6.367 20.275 1.00 0.00 C ATOM 1471 NZ LYS A 97 -3.292 7.208 20.625 1.00 0.00 N ATOM 0 H LYS A 97 -7.725 4.303 18.621 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.547 2.389 20.695 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.056 5.398 20.548 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.668 4.437 21.962 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.204 2.969 20.498 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.523 4.049 19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.161 4.842 21.770 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.339 4.530 20.254 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.650 6.421 19.201 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.359 6.763 20.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.467 8.190 20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.136 7.176 21.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.449 6.845 20.136 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.062 4.490 21.042 1.00 0.00 N ATOM 1486 CA GLU A 98 -11.306 4.714 21.785 1.00 0.00 C ATOM 1487 C GLU A 98 -12.291 3.534 21.701 1.00 0.00 C ATOM 1488 O GLU A 98 -12.928 3.209 22.706 1.00 0.00 O ATOM 1489 CB GLU A 98 -11.984 6.018 21.330 1.00 0.00 C ATOM 1490 CG GLU A 98 -11.289 7.283 21.855 1.00 0.00 C ATOM 1491 CD GLU A 98 -11.500 7.473 23.364 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -12.571 7.986 23.767 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -10.592 7.127 24.155 1.00 0.00 O ATOM 0 H GLU A 98 -9.965 5.086 20.220 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.022 4.802 22.834 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.002 6.048 20.241 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.021 6.016 21.666 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.221 7.224 21.643 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.672 8.154 21.323 1.00 0.00 H new ATOM 1500 N MET A 99 -12.405 2.861 20.547 1.00 0.00 N ATOM 1501 CA MET A 99 -13.397 1.778 20.349 1.00 0.00 C ATOM 1502 C MET A 99 -12.998 0.396 20.892 1.00 0.00 C ATOM 1503 O MET A 99 -13.789 -0.545 20.860 1.00 0.00 O ATOM 1504 CB MET A 99 -13.860 1.716 18.893 1.00 0.00 C ATOM 1505 CG MET A 99 -12.826 1.237 17.874 1.00 0.00 C ATOM 1506 SD MET A 99 -13.467 1.190 16.178 1.00 0.00 S ATOM 1507 CE MET A 99 -14.519 -0.283 16.255 1.00 0.00 C ATOM 0 H MET A 99 -11.823 3.044 19.730 1.00 0.00 H new ATOM 0 HA MET A 99 -14.242 2.060 20.977 1.00 0.00 H new ATOM 0 HB2 MET A 99 -14.726 1.057 18.837 1.00 0.00 H new ATOM 0 HB3 MET A 99 -14.196 2.710 18.598 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.958 1.895 17.910 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.483 0.241 18.154 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.088 -1.071 15.637 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.587 -0.628 17.287 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.516 -0.038 15.888 1.00 0.00 H new ATOM 1517 N VAL A 100 -11.782 0.271 21.410 1.00 0.00 N ATOM 1518 CA VAL A 100 -11.308 -0.897 22.179 1.00 0.00 C ATOM 1519 C VAL A 100 -12.314 -1.209 23.296 1.00 0.00 C ATOM 1520 O VAL A 100 -12.669 -0.340 24.094 1.00 0.00 O ATOM 1521 CB VAL A 100 -9.898 -0.689 22.774 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -9.446 -1.880 23.639 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.870 -0.519 21.647 1.00 0.00 C ATOM 0 H VAL A 100 -11.070 0.995 21.310 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.234 -1.738 21.490 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.954 0.203 23.398 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.449 -1.685 24.034 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.144 -2.015 24.465 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.425 -2.784 23.031 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.879 -0.373 22.077 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.866 -1.411 21.021 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.134 0.348 21.041 1.00 0.00 H new ATOM 1533 N GLY A 101 -12.780 -2.460 23.321 1.00 0.00 N ATOM 1534 CA GLY A 101 -13.835 -2.948 24.223 1.00 0.00 C ATOM 1535 C GLY A 101 -15.225 -3.043 23.582 1.00 0.00 C ATOM 1536 O GLY A 101 -16.137 -3.562 24.224 1.00 0.00 O ATOM 0 H GLY A 101 -12.426 -3.185 22.697 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.552 -3.933 24.594 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.892 -2.286 25.087 1.00 0.00 H new ATOM 1540 N GLN A 102 -15.406 -2.578 22.337 1.00 0.00 N ATOM 1541 CA GLN A 102 -16.624 -2.819 21.562 1.00 0.00 C ATOM 1542 C GLN A 102 -16.766 -4.311 21.235 1.00 0.00 C ATOM 1543 O GLN A 102 -15.780 -5.026 21.037 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.631 -1.991 20.260 1.00 0.00 C ATOM 1545 CG GLN A 102 -16.978 -0.507 20.467 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.437 -0.301 20.881 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.756 -0.101 22.046 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -19.381 -0.383 19.963 1.00 0.00 N ATOM 0 H GLN A 102 -14.708 -2.023 21.841 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.472 -2.506 22.171 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -15.650 -2.063 19.790 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.349 -2.429 19.567 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.324 -0.087 21.231 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -16.784 0.041 19.545 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -19.131 -0.549 18.988 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.361 -0.280 20.228 1.00 0.00 H new ATOM 1557 N LYS A 103 -18.021 -4.750 21.165 1.00 0.00 N ATOM 1558 CA LYS A 103 -18.433 -6.125 20.862 1.00 0.00 C ATOM 1559 C LYS A 103 -19.551 -6.158 19.800 1.00 0.00 C ATOM 1560 O LYS A 103 -20.526 -5.407 19.912 1.00 0.00 O ATOM 1561 CB LYS A 103 -18.924 -6.806 22.152 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.823 -7.017 23.200 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.409 -7.652 24.467 1.00 0.00 C ATOM 1564 CE LYS A 103 -17.319 -7.793 25.536 1.00 0.00 C ATOM 1565 NZ LYS A 103 -17.846 -8.377 26.798 1.00 0.00 N ATOM 0 H LYS A 103 -18.816 -4.132 21.325 1.00 0.00 H new ATOM 0 HA LYS A 103 -17.572 -6.659 20.460 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -19.719 -6.202 22.590 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.361 -7.772 21.898 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.041 -7.658 22.792 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.357 -6.063 23.445 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -19.225 -7.038 24.847 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.829 -8.630 24.233 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.516 -8.423 25.153 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.886 -6.814 25.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.076 -8.454 27.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -18.595 -7.764 27.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -18.236 -9.322 26.607 1.00 0.00 H new ATOM 1579 N MET A 104 -19.442 -7.047 18.804 1.00 0.00 N ATOM 1580 CA MET A 104 -20.381 -7.152 17.672 1.00 0.00 C ATOM 1581 C MET A 104 -20.647 -8.606 17.261 1.00 0.00 C ATOM 1582 O MET A 104 -19.736 -9.430 17.209 1.00 0.00 O ATOM 1583 CB MET A 104 -19.852 -6.367 16.456 1.00 0.00 C ATOM 1584 CG MET A 104 -19.640 -4.865 16.710 1.00 0.00 C ATOM 1585 SD MET A 104 -18.036 -4.378 17.408 1.00 0.00 S ATOM 1586 CE MET A 104 -16.997 -4.646 15.952 1.00 0.00 C ATOM 0 H MET A 104 -18.684 -7.728 18.759 1.00 0.00 H new ATOM 0 HA MET A 104 -21.324 -6.723 18.010 1.00 0.00 H new ATOM 0 HB2 MET A 104 -18.906 -6.806 16.140 1.00 0.00 H new ATOM 0 HB3 MET A 104 -20.552 -6.488 15.629 1.00 0.00 H new ATOM 0 HG2 MET A 104 -19.775 -4.337 15.766 1.00 0.00 H new ATOM 0 HG3 MET A 104 -20.424 -4.519 17.384 1.00 0.00 H new ATOM 0 HE1 MET A 104 -16.028 -4.171 16.104 1.00 0.00 H new ATOM 0 HE2 MET A 104 -16.856 -5.716 15.797 1.00 0.00 H new ATOM 0 HE3 MET A 104 -17.480 -4.213 15.076 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.898 -8.927 16.915 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.323 -10.256 16.425 1.00 0.00 C ATOM 1598 C LYS A 105 -23.522 -10.167 15.448 1.00 0.00 C ATOM 1599 O LYS A 105 -24.331 -11.088 15.328 1.00 0.00 O ATOM 1600 CB LYS A 105 -22.600 -11.171 17.641 1.00 0.00 C ATOM 1601 CG LYS A 105 -22.228 -12.633 17.335 1.00 0.00 C ATOM 1602 CD LYS A 105 -22.614 -13.581 18.477 1.00 0.00 C ATOM 1603 CE LYS A 105 -22.037 -14.972 18.174 1.00 0.00 C ATOM 1604 NZ LYS A 105 -22.519 -16.007 19.127 1.00 0.00 N ATOM 0 H LYS A 105 -22.667 -8.259 16.967 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.518 -10.697 15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.029 -10.820 18.501 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -23.654 -11.110 17.912 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -22.727 -12.949 16.419 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -21.155 -12.703 17.154 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -22.226 -13.209 19.425 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.698 -13.634 18.575 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -22.309 -15.262 17.159 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -20.949 -14.927 18.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -22.272 -16.951 18.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -22.071 -15.861 20.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -23.552 -15.934 19.226 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.650 -9.028 14.756 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.832 -8.663 13.956 1.00 0.00 C ATOM 1620 C TYR A 106 -24.879 -9.285 12.544 1.00 0.00 C ATOM 1621 O TYR A 106 -25.896 -9.186 11.856 1.00 0.00 O ATOM 1622 CB TYR A 106 -24.904 -7.126 13.890 1.00 0.00 C ATOM 1623 CG TYR A 106 -24.800 -6.440 15.243 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -25.785 -6.659 16.223 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -23.694 -5.615 15.536 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -25.668 -6.064 17.495 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.575 -5.009 16.802 1.00 0.00 C ATOM 1628 CZ TYR A 106 -24.561 -5.237 17.790 1.00 0.00 C ATOM 1629 OH TYR A 106 -24.450 -4.666 19.019 1.00 0.00 O ATOM 0 H TYR A 106 -22.919 -8.317 14.735 1.00 0.00 H new ATOM 0 HA TYR A 106 -25.706 -9.081 14.456 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -24.101 -6.763 13.248 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -25.844 -6.837 13.420 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -26.635 -7.286 15.999 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -22.935 -5.447 14.786 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -26.425 -6.240 18.245 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.731 -4.371 17.018 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.631 -4.129 19.057 1.00 0.00 H new ATOM 1639 N SER A 107 -23.798 -9.931 12.100 1.00 0.00 N ATOM 1640 CA SER A 107 -23.697 -10.602 10.795 1.00 0.00 C ATOM 1641 C SER A 107 -22.591 -11.679 10.787 1.00 0.00 C ATOM 1642 O SER A 107 -21.887 -11.866 11.783 1.00 0.00 O ATOM 1643 CB SER A 107 -23.471 -9.552 9.692 1.00 0.00 C ATOM 1644 OG SER A 107 -23.727 -10.114 8.411 1.00 0.00 O ATOM 0 H SER A 107 -22.943 -10.006 12.651 1.00 0.00 H new ATOM 0 HA SER A 107 -24.635 -11.122 10.600 1.00 0.00 H new ATOM 0 HB2 SER A 107 -24.125 -8.695 9.857 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.446 -9.184 9.736 1.00 0.00 H new ATOM 0 HG SER A 107 -23.581 -9.434 7.720 1.00 0.00 H new ATOM 1650 N ILE A 108 -22.437 -12.383 9.659 1.00 0.00 N ATOM 1651 CA ILE A 108 -21.424 -13.437 9.438 1.00 0.00 C ATOM 1652 C ILE A 108 -20.007 -12.862 9.630 1.00 0.00 C ATOM 1653 O ILE A 108 -19.775 -11.706 9.291 1.00 0.00 O ATOM 1654 CB ILE A 108 -21.615 -14.065 8.029 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -23.060 -14.569 7.769 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -20.617 -15.211 7.768 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -23.592 -15.607 8.769 1.00 0.00 C ATOM 0 H ILE A 108 -23.032 -12.234 8.844 1.00 0.00 H new ATOM 0 HA ILE A 108 -21.554 -14.231 10.174 1.00 0.00 H new ATOM 0 HB ILE A 108 -21.418 -13.251 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -23.731 -13.710 7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -23.100 -15.001 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -20.786 -15.621 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -19.598 -14.829 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -20.760 -15.995 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -24.608 -15.890 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -22.953 -16.490 8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.593 -15.179 9.772 1.00 0.00 H new ATOM 1669 N VAL A 109 -19.056 -13.657 10.138 1.00 0.00 N ATOM 1670 CA VAL A 109 -17.715 -13.197 10.585 1.00 0.00 C ATOM 1671 C VAL A 109 -16.983 -12.319 9.558 1.00 0.00 C ATOM 1672 O VAL A 109 -16.384 -11.314 9.934 1.00 0.00 O ATOM 1673 CB VAL A 109 -16.802 -14.382 11.003 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -15.482 -13.905 11.638 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -17.513 -15.312 12.004 1.00 0.00 C ATOM 0 H VAL A 109 -19.191 -14.661 10.256 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.917 -12.573 11.456 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.579 -14.925 10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.878 -14.769 11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.934 -13.293 10.922 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.699 -13.315 12.529 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -16.847 -16.131 12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.780 -14.748 12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.416 -15.716 11.547 1.00 0.00 H new ATOM 1685 N SER A 110 -17.076 -12.640 8.265 1.00 0.00 N ATOM 1686 CA SER A 110 -16.524 -11.820 7.176 1.00 0.00 C ATOM 1687 C SER A 110 -17.116 -10.400 7.174 1.00 0.00 C ATOM 1688 O SER A 110 -16.383 -9.417 7.338 1.00 0.00 O ATOM 1689 CB SER A 110 -16.760 -12.534 5.833 1.00 0.00 C ATOM 1690 OG SER A 110 -18.123 -12.916 5.674 1.00 0.00 O ATOM 0 H SER A 110 -17.542 -13.486 7.938 1.00 0.00 H new ATOM 0 HA SER A 110 -15.452 -11.704 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 110 -16.468 -11.876 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.125 -13.418 5.774 1.00 0.00 H new ATOM 0 HG SER A 110 -18.238 -13.365 4.811 1.00 0.00 H new ATOM 1696 N ARG A 111 -18.449 -10.273 7.076 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.120 -8.974 7.137 1.00 0.00 C ATOM 1698 C ARG A 111 -18.959 -8.307 8.499 1.00 0.00 C ATOM 1699 O ARG A 111 -18.789 -7.097 8.546 1.00 0.00 O ATOM 1700 CB ARG A 111 -20.604 -9.082 6.751 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.266 -7.702 6.528 1.00 0.00 C ATOM 1702 CD ARG A 111 -20.724 -7.001 5.275 1.00 0.00 C ATOM 1703 NE ARG A 111 -21.439 -5.746 4.993 1.00 0.00 N ATOM 1704 CZ ARG A 111 -21.064 -4.822 4.117 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -19.952 -4.928 3.417 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -21.816 -3.759 3.928 1.00 0.00 N ATOM 0 H ARG A 111 -19.083 -11.063 6.953 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.629 -8.337 6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -20.696 -9.676 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.141 -9.615 7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.345 -7.828 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.093 -7.071 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.662 -6.792 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.813 -7.669 4.419 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.297 -5.571 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -19.348 -5.740 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -19.696 -4.198 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -22.683 -3.648 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.532 -3.046 3.256 1.00 0.00 H new ATOM 1720 N ASN A 112 -18.921 -9.056 9.597 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.663 -8.521 10.940 1.00 0.00 C ATOM 1722 C ASN A 112 -17.288 -7.822 11.014 1.00 0.00 C ATOM 1723 O ASN A 112 -17.157 -6.762 11.622 1.00 0.00 O ATOM 1724 CB ASN A 112 -18.803 -9.668 11.960 1.00 0.00 C ATOM 1725 CG ASN A 112 -18.987 -9.209 13.406 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.085 -8.029 13.709 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.059 -10.140 14.341 1.00 0.00 N ATOM 0 H ASN A 112 -19.070 -10.065 9.584 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.396 -7.751 11.181 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.654 -10.287 11.677 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.916 -10.299 11.902 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.196 -9.874 15.316 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.977 -11.125 14.088 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.286 -8.342 10.295 1.00 0.00 N ATOM 1735 CA CYS A 113 -14.975 -7.707 10.136 1.00 0.00 C ATOM 1736 C CYS A 113 -15.022 -6.450 9.228 1.00 0.00 C ATOM 1737 O CYS A 113 -14.464 -5.414 9.593 1.00 0.00 O ATOM 1738 CB CYS A 113 -13.978 -8.793 9.684 1.00 0.00 C ATOM 1739 SG CYS A 113 -12.496 -8.700 10.731 1.00 0.00 S ATOM 0 H CYS A 113 -16.366 -9.230 9.800 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.631 -7.302 11.088 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.434 -9.780 9.762 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.710 -8.648 8.637 1.00 0.00 H new ATOM 0 HG CYS A 113 -12.196 -7.454 10.949 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.745 -6.483 8.102 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.977 -5.288 7.252 1.00 0.00 C ATOM 1747 C GLU A 114 -16.749 -4.182 7.998 1.00 0.00 C ATOM 1748 O GLU A 114 -16.359 -3.016 7.985 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.741 -5.656 5.969 1.00 0.00 C ATOM 1750 CG GLU A 114 -15.958 -6.580 5.029 1.00 0.00 C ATOM 1751 CD GLU A 114 -16.659 -6.746 3.668 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -17.909 -6.837 3.621 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -15.951 -6.790 2.634 1.00 0.00 O ATOM 0 H GLU A 114 -16.188 -7.331 7.748 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.990 -4.905 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.679 -6.140 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.998 -4.741 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.957 -6.177 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.839 -7.557 5.497 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.822 -4.547 8.699 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.605 -3.704 9.607 1.00 0.00 C ATOM 1762 C HIS A 115 -17.687 -3.031 10.652 1.00 0.00 C ATOM 1763 O HIS A 115 -17.762 -1.821 10.883 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.667 -4.617 10.254 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.408 -4.057 11.440 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.480 -3.191 11.413 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.207 -4.412 12.747 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -21.907 -3.024 12.677 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.146 -3.734 13.531 1.00 0.00 N ATOM 0 H HIS A 115 -18.192 -5.496 8.646 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.096 -2.888 9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.398 -4.883 9.490 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.179 -5.541 10.563 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -21.879 -2.754 10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.454 -5.096 13.109 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.744 -2.406 12.967 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.762 -3.807 11.233 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.714 -3.342 12.141 1.00 0.00 C ATOM 1779 C PHE A 116 -14.763 -2.336 11.471 1.00 0.00 C ATOM 1780 O PHE A 116 -14.636 -1.224 11.984 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.998 -4.575 12.720 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.594 -4.328 13.232 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.394 -3.575 14.405 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.484 -4.832 12.526 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.092 -3.338 14.877 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.181 -4.601 13.006 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.986 -3.864 14.186 1.00 0.00 C ATOM 0 H PHE A 116 -16.725 -4.814 11.075 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.158 -2.780 12.963 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.600 -4.974 13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.956 -5.345 11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.243 -3.179 14.943 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.633 -5.395 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.941 -2.751 15.771 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.330 -4.991 12.467 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.987 -3.701 14.562 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.140 -2.646 10.323 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.221 -1.668 9.683 1.00 0.00 C ATOM 1799 C VAL A 117 -13.919 -0.439 9.103 1.00 0.00 C ATOM 1800 O VAL A 117 -13.286 0.609 9.008 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.242 -2.231 8.635 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.147 -3.033 9.334 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.905 -3.045 7.518 1.00 0.00 C ATOM 0 H VAL A 117 -14.244 -3.531 9.827 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.621 -1.369 10.542 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.806 -1.372 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.456 -3.430 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.605 -2.385 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.597 -3.857 9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.142 -3.402 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.430 -3.897 7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.615 -2.416 6.982 1.00 0.00 H new ATOM 1813 N THR A 118 -15.219 -0.512 8.783 1.00 0.00 N ATOM 1814 CA THR A 118 -16.001 0.688 8.428 1.00 0.00 C ATOM 1815 C THR A 118 -16.218 1.555 9.659 1.00 0.00 C ATOM 1816 O THR A 118 -16.038 2.756 9.551 1.00 0.00 O ATOM 1817 CB THR A 118 -17.317 0.371 7.711 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.096 -0.666 6.774 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.820 1.573 6.906 1.00 0.00 C ATOM 0 H THR A 118 -15.751 -1.382 8.762 1.00 0.00 H new ATOM 0 HA THR A 118 -15.412 1.250 7.702 1.00 0.00 H new ATOM 0 HB THR A 118 -18.045 0.097 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.944 -1.509 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.755 1.313 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.987 2.416 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.076 1.846 6.157 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.491 0.974 10.831 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.529 1.720 12.103 1.00 0.00 C ATOM 1829 C GLN A 119 -15.164 2.317 12.513 1.00 0.00 C ATOM 1830 O GLN A 119 -15.147 3.326 13.219 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.125 0.843 13.215 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.660 0.837 13.111 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.287 -0.314 13.891 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.897 -0.151 14.940 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.162 -1.517 13.384 1.00 0.00 N ATOM 0 H GLN A 119 -16.692 -0.021 10.930 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.179 2.581 11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.742 -0.174 13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.819 1.220 14.191 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -19.051 1.783 13.486 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.951 0.764 12.063 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.654 -1.652 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.573 -2.318 13.864 1.00 0.00 H new ATOM 1844 N LEU A 120 -14.038 1.762 12.040 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.708 2.374 12.183 1.00 0.00 C ATOM 1846 C LEU A 120 -12.549 3.591 11.255 1.00 0.00 C ATOM 1847 O LEU A 120 -12.362 4.706 11.741 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.606 1.319 11.944 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.409 0.356 13.134 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.634 -0.891 12.686 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.625 1.045 14.260 1.00 0.00 C ATOM 0 H LEU A 120 -14.024 0.871 11.544 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.604 2.742 13.204 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.855 0.740 11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.664 1.828 11.739 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.394 0.067 13.500 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.502 -1.562 13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.191 -1.403 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.658 -0.594 12.303 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.496 0.351 15.091 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.648 1.352 13.888 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.175 1.922 14.602 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.655 3.412 9.925 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.535 4.507 8.930 1.00 0.00 C ATOM 1865 C ARG A 121 -13.754 5.451 8.863 1.00 0.00 C ATOM 1866 O ARG A 121 -13.775 6.349 8.022 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.164 3.944 7.541 1.00 0.00 C ATOM 1868 CG ARG A 121 -13.330 3.230 6.838 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.879 2.488 5.576 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.809 1.397 5.228 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.487 0.276 4.594 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -12.329 0.134 3.981 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.344 -0.721 4.562 1.00 0.00 N ATOM 0 H ARG A 121 -12.827 2.500 9.503 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.721 5.141 9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.814 4.760 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -11.334 3.246 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -13.790 2.523 7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -14.095 3.960 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.812 3.190 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.880 2.080 5.730 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.785 1.514 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.653 0.897 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.109 -0.739 3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.250 -0.630 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -14.103 -1.585 4.077 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.743 5.260 9.742 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.048 5.938 9.778 1.00 0.00 C ATOM 1889 C TYR A 122 -15.933 7.477 9.861 1.00 0.00 C ATOM 1890 O TYR A 122 -16.846 8.205 9.472 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.787 5.477 11.046 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.300 5.574 10.979 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.048 4.521 10.412 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -18.963 6.700 11.503 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.454 4.595 10.357 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -20.368 6.781 11.453 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.118 5.726 10.883 1.00 0.00 C ATOM 1898 OH TYR A 122 -22.478 5.808 10.843 1.00 0.00 O ATOM 0 H TYR A 122 -14.649 4.583 10.499 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.568 5.684 8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -16.513 4.442 11.252 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -16.437 6.073 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.540 3.653 10.018 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.393 7.504 11.944 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.022 3.790 9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.873 7.649 11.850 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.767 6.652 11.249 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.803 7.947 10.420 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.508 9.327 10.828 1.00 0.00 C ATOM 1910 C GLY A 123 -14.919 10.412 9.835 1.00 0.00 C ATOM 1911 O GLY A 123 -15.615 11.352 10.218 1.00 0.00 O ATOM 0 H GLY A 123 -14.017 7.325 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.007 9.521 11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.436 9.412 11.008 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.506 10.277 8.570 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.854 11.218 7.492 1.00 0.00 C ATOM 1917 C LYS A 124 -15.451 10.551 6.229 1.00 0.00 C ATOM 1918 O LYS A 124 -15.715 11.249 5.245 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.629 12.116 7.205 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.521 13.250 8.243 1.00 0.00 C ATOM 1921 CD LYS A 124 -12.575 14.365 7.772 1.00 0.00 C ATOM 1922 CE LYS A 124 -12.392 15.476 8.822 1.00 0.00 C ATOM 1923 NZ LYS A 124 -13.624 16.294 9.020 1.00 0.00 N ATOM 0 H LYS A 124 -13.915 9.506 8.260 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.677 11.844 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.720 11.514 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.711 12.540 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -14.510 13.667 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.162 12.844 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.603 13.934 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.965 14.801 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.103 15.027 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.574 16.128 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -13.443 17.026 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.888 16.747 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.400 15.680 9.340 1.00 0.00 H new ATOM 1937 N SER A 125 -15.709 9.234 6.255 1.00 0.00 N ATOM 1938 CA SER A 125 -16.453 8.499 5.209 1.00 0.00 C ATOM 1939 C SER A 125 -17.920 8.945 5.130 1.00 0.00 C ATOM 1940 O SER A 125 -18.358 9.424 4.062 1.00 0.00 O ATOM 1941 CB SER A 125 -16.363 6.991 5.444 1.00 0.00 C ATOM 1942 OG SER A 125 -17.038 6.734 6.649 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.632 8.788 6.152 1.00 0.00 O ATOM 0 H SER A 125 -15.401 8.633 7.019 1.00 0.00 H new ATOM 0 HA SER A 125 -15.988 8.734 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.818 6.442 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 125 -15.323 6.669 5.505 1.00 0.00 H new ATOM 0 HG SER A 125 -17.824 7.316 6.714 1.00 0.00 H new TER 1949 SER A 125