USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 151:sc= -11! USER MOD Set 1.2: A 77 TYR OH : rot -165:sc= -5.12! USER MOD Single : A 1 ALA N :NH3+ -138:sc= 0.0667 (180deg=-0.328) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 98:sc= -4.62! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 22 SER OG : rot -172:sc= -0.0502! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-7.9!) USER MOD Single : A 35 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.774 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 57 MET CE :methyl 137:sc= -0.838 (180deg=-1.57) USER MOD Single : A 60 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.41) USER MOD Single : A 64 THR OG1 : rot 33:sc= -2.64! USER MOD Single : A 65 TYR OH : rot 98:sc= -0.598 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.49! C(o=-3.5!,f=-3.9!) USER MOD Single : A 82 THR OG1 : rot 3:sc= -7.43! USER MOD Single : A 87 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.6!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= -0.028 (180deg=-0.413) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.740 -11.315 -0.681 1.00 0.00 N ATOM 2 CA ALA A 1 -17.738 -10.435 -1.346 1.00 0.00 C ATOM 3 C ALA A 1 -16.363 -10.665 -0.726 1.00 0.00 C ATOM 4 O ALA A 1 -16.067 -11.722 -0.206 1.00 0.00 O ATOM 5 CB ALA A 1 -18.142 -8.967 -1.170 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.376 -11.721 -1.397 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.249 -12.082 -0.179 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.295 -10.757 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.700 -10.673 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.407 -8.326 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.121 -8.803 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.185 -8.726 -0.108 1.00 0.00 H new ATOM 13 N ASP A 2 -15.523 -9.674 -0.783 1.00 0.00 N ATOM 14 CA ASP A 2 -14.158 -9.806 -0.204 1.00 0.00 C ATOM 15 C ASP A 2 -13.918 -8.722 0.867 1.00 0.00 C ATOM 16 O ASP A 2 -12.912 -8.046 0.849 1.00 0.00 O ATOM 17 CB ASP A 2 -13.130 -9.667 -1.328 1.00 0.00 C ATOM 18 CG ASP A 2 -11.748 -9.588 -0.710 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.637 -9.937 0.448 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.828 -9.176 -1.396 1.00 0.00 O ATOM 0 H ASP A 2 -15.724 -8.769 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.059 -10.782 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.193 -10.518 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.333 -8.773 -1.918 1.00 0.00 H new ATOM 25 N PRO A 3 -14.829 -8.604 1.800 1.00 0.00 N ATOM 26 CA PRO A 3 -14.680 -7.640 2.901 1.00 0.00 C ATOM 27 C PRO A 3 -13.713 -8.225 3.934 1.00 0.00 C ATOM 28 O PRO A 3 -13.457 -7.640 4.966 1.00 0.00 O ATOM 29 CB PRO A 3 -16.090 -7.539 3.487 1.00 0.00 C ATOM 30 CG PRO A 3 -16.814 -8.846 3.090 1.00 0.00 C ATOM 31 CD PRO A 3 -16.078 -9.392 1.853 1.00 0.00 C ATOM 0 HA PRO A 3 -14.290 -6.670 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.055 -7.427 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.614 -6.668 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.789 -9.567 3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.863 -8.656 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.873 -10.458 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.670 -9.262 0.947 1.00 0.00 H new ATOM 39 N GLU A 4 -13.203 -9.404 3.668 1.00 0.00 N ATOM 40 CA GLU A 4 -12.287 -10.063 4.639 1.00 0.00 C ATOM 41 C GLU A 4 -11.150 -10.794 3.917 1.00 0.00 C ATOM 42 O GLU A 4 -10.453 -11.598 4.507 1.00 0.00 O ATOM 43 CB GLU A 4 -13.098 -11.091 5.399 1.00 0.00 C ATOM 44 CG GLU A 4 -12.753 -11.026 6.888 1.00 0.00 C ATOM 45 CD GLU A 4 -12.694 -12.444 7.460 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.859 -13.210 7.007 1.00 0.00 O ATOM 47 OE2 GLU A 4 -13.483 -12.739 8.343 1.00 0.00 O ATOM 0 H GLU A 4 -13.385 -9.936 2.817 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.854 -9.309 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.163 -10.907 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.892 -12.089 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.795 -10.525 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.501 -10.438 7.420 1.00 0.00 H new ATOM 54 N LYS A 5 -10.953 -10.540 2.661 1.00 0.00 N ATOM 55 CA LYS A 5 -9.867 -11.236 1.925 1.00 0.00 C ATOM 56 C LYS A 5 -9.225 -10.238 0.979 1.00 0.00 C ATOM 57 O LYS A 5 -8.808 -10.566 -0.115 1.00 0.00 O ATOM 58 CB LYS A 5 -10.452 -12.403 1.130 1.00 0.00 C ATOM 59 CG LYS A 5 -10.020 -13.723 1.771 1.00 0.00 C ATOM 60 CD LYS A 5 -11.129 -14.229 2.695 1.00 0.00 C ATOM 61 CE LYS A 5 -10.573 -15.325 3.608 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.751 -16.652 2.955 1.00 0.00 N ATOM 0 H LYS A 5 -11.498 -9.878 2.108 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.124 -11.626 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.540 -12.335 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.111 -12.360 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.810 -14.463 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.098 -13.581 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.522 -13.407 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.959 -14.619 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.517 -15.145 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.087 -15.309 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.374 -17.397 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.763 -16.822 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.241 -16.664 2.049 1.00 0.00 H new ATOM 76 N SER A 6 -9.164 -9.008 1.394 1.00 0.00 N ATOM 77 CA SER A 6 -8.567 -7.966 0.523 1.00 0.00 C ATOM 78 C SER A 6 -7.311 -7.427 1.196 1.00 0.00 C ATOM 79 O SER A 6 -7.369 -6.814 2.244 1.00 0.00 O ATOM 80 CB SER A 6 -9.554 -6.820 0.338 1.00 0.00 C ATOM 81 OG SER A 6 -10.851 -7.344 0.110 1.00 0.00 O ATOM 0 H SER A 6 -9.502 -8.679 2.299 1.00 0.00 H new ATOM 0 HA SER A 6 -8.325 -8.398 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.558 -6.183 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.250 -6.196 -0.502 1.00 0.00 H new ATOM 0 HG SER A 6 -11.359 -7.336 0.948 1.00 0.00 H new ATOM 87 N TYR A 7 -6.177 -7.665 0.612 1.00 0.00 N ATOM 88 CA TYR A 7 -4.910 -7.180 1.235 1.00 0.00 C ATOM 89 C TYR A 7 -4.067 -6.397 0.220 1.00 0.00 C ATOM 90 O TYR A 7 -3.955 -6.767 -0.933 1.00 0.00 O ATOM 91 CB TYR A 7 -4.109 -8.385 1.728 1.00 0.00 C ATOM 92 CG TYR A 7 -4.109 -9.452 0.660 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.251 -10.234 0.452 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.968 -9.657 -0.125 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.254 -11.220 -0.540 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.969 -10.643 -1.117 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.113 -11.426 -1.326 1.00 0.00 C ATOM 98 OH TYR A 7 -4.115 -12.399 -2.306 1.00 0.00 O ATOM 0 H TYR A 7 -6.066 -8.172 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.157 -6.518 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.087 -8.087 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.545 -8.775 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.131 -10.076 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.087 -9.054 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.136 -11.822 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.088 -10.801 -1.722 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.246 -12.409 -2.759 1.00 0.00 H new ATOM 108 N ALA A 8 -3.455 -5.325 0.656 1.00 0.00 N ATOM 109 CA ALA A 8 -2.594 -4.518 -0.259 1.00 0.00 C ATOM 110 C ALA A 8 -1.169 -4.511 0.290 1.00 0.00 C ATOM 111 O ALA A 8 -0.934 -4.107 1.412 1.00 0.00 O ATOM 112 CB ALA A 8 -3.105 -3.078 -0.330 1.00 0.00 C ATOM 0 H ALA A 8 -3.516 -4.973 1.611 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.618 -4.955 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.469 -2.499 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.128 -3.073 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.082 -2.634 0.665 1.00 0.00 H new ATOM 118 N GLU A 9 -0.212 -4.958 -0.475 1.00 0.00 N ATOM 119 CA GLU A 9 1.185 -4.966 0.044 1.00 0.00 C ATOM 120 C GLU A 9 2.156 -4.579 -1.067 1.00 0.00 C ATOM 121 O GLU A 9 2.008 -4.970 -2.212 1.00 0.00 O ATOM 122 CB GLU A 9 1.530 -6.366 0.557 1.00 0.00 C ATOM 123 CG GLU A 9 1.142 -7.405 -0.497 1.00 0.00 C ATOM 124 CD GLU A 9 2.299 -7.586 -1.482 1.00 0.00 C ATOM 125 OE1 GLU A 9 3.329 -6.969 -1.273 1.00 0.00 O ATOM 126 OE2 GLU A 9 2.131 -8.338 -2.429 1.00 0.00 O ATOM 0 H GLU A 9 -0.333 -5.313 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 9 1.268 -4.246 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.596 -6.433 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.002 -6.564 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.906 -8.355 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.245 -7.084 -1.027 1.00 0.00 H new ATOM 133 N GLY A 10 3.147 -3.801 -0.736 1.00 0.00 N ATOM 134 CA GLY A 10 4.131 -3.386 -1.764 1.00 0.00 C ATOM 135 C GLY A 10 5.401 -2.861 -1.099 1.00 0.00 C ATOM 136 O GLY A 10 5.444 -2.671 0.101 1.00 0.00 O ATOM 0 H GLY A 10 3.316 -3.436 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.372 -4.231 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.699 -2.613 -2.400 1.00 0.00 H new ATOM 140 N PRO A 11 6.385 -2.587 -1.921 1.00 0.00 N ATOM 141 CA PRO A 11 7.663 -2.015 -1.469 1.00 0.00 C ATOM 142 C PRO A 11 7.481 -0.507 -1.238 1.00 0.00 C ATOM 143 O PRO A 11 8.424 0.219 -0.996 1.00 0.00 O ATOM 144 CB PRO A 11 8.613 -2.278 -2.641 1.00 0.00 C ATOM 145 CG PRO A 11 7.719 -2.465 -3.890 1.00 0.00 C ATOM 146 CD PRO A 11 6.316 -2.837 -3.376 1.00 0.00 C ATOM 0 HA PRO A 11 8.034 -2.441 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.302 -1.445 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.218 -3.166 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.685 -1.551 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.115 -3.248 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.545 -2.229 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.077 -3.879 -3.590 1.00 0.00 H new ATOM 154 N GLY A 12 6.258 -0.043 -1.318 1.00 0.00 N ATOM 155 CA GLY A 12 5.966 1.398 -1.115 1.00 0.00 C ATOM 156 C GLY A 12 5.063 1.536 0.105 1.00 0.00 C ATOM 157 O GLY A 12 4.397 0.604 0.467 1.00 0.00 O ATOM 0 H GLY A 12 5.440 -0.618 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.891 1.956 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.479 1.815 -1.997 1.00 0.00 H new ATOM 161 N LEU A 13 5.040 2.684 0.734 1.00 0.00 N ATOM 162 CA LEU A 13 4.164 2.889 1.936 1.00 0.00 C ATOM 163 C LEU A 13 4.910 2.520 3.207 1.00 0.00 C ATOM 164 O LEU A 13 4.446 2.754 4.304 1.00 0.00 O ATOM 165 CB LEU A 13 2.859 2.085 1.783 1.00 0.00 C ATOM 166 CG LEU A 13 2.820 0.780 2.619 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.670 0.855 3.617 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.579 -0.418 1.697 1.00 0.00 C ATOM 0 H LEU A 13 5.594 3.497 0.466 1.00 0.00 H new ATOM 0 HA LEU A 13 3.898 3.943 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.019 2.716 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.720 1.835 0.731 1.00 0.00 H new ATOM 0 HG LEU A 13 3.770 0.664 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.640 -0.061 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.818 1.708 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.729 0.972 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.552 -1.333 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.628 -0.293 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.385 -0.482 0.966 1.00 0.00 H new ATOM 180 N ASP A 14 6.076 1.976 3.071 1.00 0.00 N ATOM 181 CA ASP A 14 6.865 1.627 4.280 1.00 0.00 C ATOM 182 C ASP A 14 7.341 2.922 4.923 1.00 0.00 C ATOM 183 O ASP A 14 7.741 2.961 6.070 1.00 0.00 O ATOM 184 CB ASP A 14 8.088 0.828 3.874 1.00 0.00 C ATOM 185 CG ASP A 14 7.721 -0.153 2.759 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.557 0.293 1.635 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.610 -1.334 3.047 1.00 0.00 O ATOM 0 H ASP A 14 6.520 1.757 2.179 1.00 0.00 H new ATOM 0 HA ASP A 14 6.252 1.044 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.876 1.500 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.481 0.285 4.734 1.00 0.00 H new ATOM 192 N GLY A 15 7.304 3.981 4.172 1.00 0.00 N ATOM 193 CA GLY A 15 7.759 5.300 4.704 1.00 0.00 C ATOM 194 C GLY A 15 9.282 5.366 4.741 1.00 0.00 C ATOM 195 O GLY A 15 9.962 5.033 3.791 1.00 0.00 O ATOM 0 H GLY A 15 6.977 3.995 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.370 6.104 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.358 5.452 5.706 1.00 0.00 H new ATOM 199 N GLY A 16 9.812 5.792 5.852 1.00 0.00 N ATOM 200 CA GLY A 16 11.293 5.891 6.000 1.00 0.00 C ATOM 201 C GLY A 16 11.877 6.979 5.105 1.00 0.00 C ATOM 202 O GLY A 16 12.431 7.950 5.582 1.00 0.00 O ATOM 0 H GLY A 16 9.279 6.079 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.542 6.103 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.749 4.932 5.752 1.00 0.00 H new ATOM 206 N GLU A 17 11.801 6.815 3.817 1.00 0.00 N ATOM 207 CA GLU A 17 12.407 7.836 2.922 1.00 0.00 C ATOM 208 C GLU A 17 11.388 8.402 1.940 1.00 0.00 C ATOM 209 O GLU A 17 10.525 7.709 1.438 1.00 0.00 O ATOM 210 CB GLU A 17 13.519 7.184 2.120 1.00 0.00 C ATOM 211 CG GLU A 17 14.742 6.961 3.010 1.00 0.00 C ATOM 212 CD GLU A 17 15.660 5.924 2.361 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.144 4.948 1.841 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.863 6.124 2.395 1.00 0.00 O ATOM 0 H GLU A 17 11.351 6.028 3.349 1.00 0.00 H new ATOM 0 HA GLU A 17 12.782 8.648 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.176 6.233 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.786 7.815 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.278 7.899 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.430 6.620 3.997 1.00 0.00 H new ATOM 221 N CYS A 18 11.508 9.666 1.655 1.00 0.00 N ATOM 222 CA CYS A 18 10.562 10.309 0.684 1.00 0.00 C ATOM 223 C CYS A 18 11.105 10.168 -0.737 1.00 0.00 C ATOM 224 O CYS A 18 10.373 10.282 -1.701 1.00 0.00 O ATOM 225 CB CYS A 18 10.403 11.815 0.954 1.00 0.00 C ATOM 226 SG CYS A 18 8.939 12.121 1.982 1.00 0.00 S ATOM 0 H CYS A 18 12.216 10.287 2.047 1.00 0.00 H new ATOM 0 HA CYS A 18 9.600 9.810 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.293 12.197 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.312 12.353 0.010 1.00 0.00 H new ATOM 0 HG CYS A 18 9.121 13.198 2.687 1.00 0.00 H new ATOM 232 N PHE A 19 12.381 9.946 -0.887 1.00 0.00 N ATOM 233 CA PHE A 19 12.942 9.832 -2.265 1.00 0.00 C ATOM 234 C PHE A 19 12.881 8.393 -2.738 1.00 0.00 C ATOM 235 O PHE A 19 13.454 8.026 -3.745 1.00 0.00 O ATOM 236 CB PHE A 19 14.373 10.368 -2.309 1.00 0.00 C ATOM 237 CG PHE A 19 14.272 11.867 -2.321 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.386 12.484 -3.210 1.00 0.00 C ATOM 239 CD2 PHE A 19 15.005 12.635 -1.416 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.237 13.868 -3.198 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.842 14.022 -1.393 1.00 0.00 C ATOM 242 CZ PHE A 19 13.957 14.635 -2.285 1.00 0.00 C ATOM 0 H PHE A 19 13.053 9.840 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 19 12.339 10.438 -2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.941 10.025 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.894 10.008 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.817 11.886 -3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.696 12.159 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.565 14.346 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.399 14.620 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.831 15.707 -2.266 1.00 0.00 H new ATOM 252 N GLN A 20 12.136 7.589 -2.050 1.00 0.00 N ATOM 253 CA GLN A 20 11.965 6.189 -2.482 1.00 0.00 C ATOM 254 C GLN A 20 10.626 6.144 -3.206 1.00 0.00 C ATOM 255 O GLN A 20 9.687 6.791 -2.787 1.00 0.00 O ATOM 256 CB GLN A 20 11.937 5.266 -1.259 1.00 0.00 C ATOM 257 CG GLN A 20 11.706 3.822 -1.708 1.00 0.00 C ATOM 258 CD GLN A 20 11.506 2.931 -0.481 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.377 3.419 0.625 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.476 1.635 -0.631 1.00 0.00 N ATOM 0 H GLN A 20 11.634 7.845 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 20 12.781 5.858 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.877 5.341 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.146 5.576 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.832 3.767 -2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.558 3.471 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.584 1.226 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.344 1.031 0.180 1.00 0.00 H new ATOM 269 N PRO A 21 10.561 5.407 -4.273 1.00 0.00 N ATOM 270 CA PRO A 21 9.323 5.311 -5.052 1.00 0.00 C ATOM 271 C PRO A 21 8.279 4.585 -4.220 1.00 0.00 C ATOM 272 O PRO A 21 8.547 3.549 -3.643 1.00 0.00 O ATOM 273 CB PRO A 21 9.738 4.527 -6.302 1.00 0.00 C ATOM 274 CG PRO A 21 11.034 3.774 -5.924 1.00 0.00 C ATOM 275 CD PRO A 21 11.675 4.584 -4.780 1.00 0.00 C ATOM 0 HA PRO A 21 8.879 6.268 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.956 3.830 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.908 5.198 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.815 2.755 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.708 3.703 -6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.078 3.933 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.499 5.201 -5.138 1.00 0.00 H new ATOM 283 N SER A 22 7.094 5.120 -4.117 1.00 0.00 N ATOM 284 CA SER A 22 6.083 4.443 -3.284 1.00 0.00 C ATOM 285 C SER A 22 5.083 3.749 -4.190 1.00 0.00 C ATOM 286 O SER A 22 4.306 4.385 -4.868 1.00 0.00 O ATOM 287 CB SER A 22 5.372 5.503 -2.481 1.00 0.00 C ATOM 288 OG SER A 22 5.295 5.091 -1.123 1.00 0.00 O ATOM 0 H SER A 22 6.792 5.983 -4.569 1.00 0.00 H new ATOM 0 HA SER A 22 6.547 3.708 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.905 6.451 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.371 5.668 -2.880 1.00 0.00 H new ATOM 0 HG SER A 22 4.723 5.712 -0.625 1.00 0.00 H new ATOM 294 N LYS A 23 5.097 2.448 -4.208 1.00 0.00 N ATOM 295 CA LYS A 23 4.149 1.713 -5.072 1.00 0.00 C ATOM 296 C LYS A 23 3.819 0.364 -4.447 1.00 0.00 C ATOM 297 O LYS A 23 4.685 -0.343 -3.975 1.00 0.00 O ATOM 298 CB LYS A 23 4.783 1.472 -6.435 1.00 0.00 C ATOM 299 CG LYS A 23 5.590 2.698 -6.868 1.00 0.00 C ATOM 300 CD LYS A 23 5.848 2.633 -8.376 1.00 0.00 C ATOM 301 CE LYS A 23 7.342 2.808 -8.647 1.00 0.00 C ATOM 302 NZ LYS A 23 7.640 2.404 -10.049 1.00 0.00 N ATOM 0 H LYS A 23 5.727 1.864 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 23 3.240 2.304 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.432 0.597 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.008 1.259 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.047 3.610 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.536 2.733 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.505 1.678 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.282 3.412 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.633 3.846 -8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.923 2.203 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.656 2.522 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.376 1.407 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.096 3.000 -10.705 1.00 0.00 H new ATOM 316 N PHE A 24 2.572 0.002 -4.452 1.00 0.00 N ATOM 317 CA PHE A 24 2.174 -1.311 -3.869 1.00 0.00 C ATOM 318 C PHE A 24 1.114 -1.952 -4.752 1.00 0.00 C ATOM 319 O PHE A 24 0.428 -1.284 -5.509 1.00 0.00 O ATOM 320 CB PHE A 24 1.611 -1.156 -2.446 1.00 0.00 C ATOM 321 CG PHE A 24 1.639 0.285 -2.032 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.864 0.938 -1.909 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.446 0.968 -1.780 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.906 2.279 -1.534 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.486 2.312 -1.404 1.00 0.00 C ATOM 326 CZ PHE A 24 1.719 2.967 -1.282 1.00 0.00 C ATOM 0 H PHE A 24 1.806 0.557 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 24 3.064 -1.938 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.589 -1.533 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.197 -1.754 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.782 0.404 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.502 0.459 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.855 2.785 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.432 2.846 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.750 4.007 -0.992 1.00 0.00 H new ATOM 336 N LYS A 25 0.966 -3.242 -4.658 1.00 0.00 N ATOM 337 CA LYS A 25 -0.055 -3.927 -5.488 1.00 0.00 C ATOM 338 C LYS A 25 -1.108 -4.503 -4.555 1.00 0.00 C ATOM 339 O LYS A 25 -0.800 -5.016 -3.494 1.00 0.00 O ATOM 340 CB LYS A 25 0.601 -5.057 -6.286 1.00 0.00 C ATOM 341 CG LYS A 25 1.963 -4.591 -6.805 1.00 0.00 C ATOM 342 CD LYS A 25 2.134 -5.032 -8.260 1.00 0.00 C ATOM 343 CE LYS A 25 3.057 -6.250 -8.321 1.00 0.00 C ATOM 344 NZ LYS A 25 4.048 -6.067 -9.418 1.00 0.00 N ATOM 0 H LYS A 25 1.508 -3.849 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.510 -3.225 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.722 -5.938 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.038 -5.346 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.040 -3.506 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.760 -5.010 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.164 -5.276 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.551 -4.217 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.572 -6.378 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.473 -7.154 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.676 -6.895 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.548 -5.965 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.613 -5.213 -9.237 1.00 0.00 H new ATOM 358 N ILE A 26 -2.353 -4.402 -4.919 1.00 0.00 N ATOM 359 CA ILE A 26 -3.411 -4.923 -4.029 1.00 0.00 C ATOM 360 C ILE A 26 -4.013 -6.183 -4.628 1.00 0.00 C ATOM 361 O ILE A 26 -3.990 -6.390 -5.822 1.00 0.00 O ATOM 362 CB ILE A 26 -4.494 -3.862 -3.841 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.825 -2.503 -3.591 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.365 -4.247 -2.642 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.836 -1.522 -2.994 1.00 0.00 C ATOM 0 H ILE A 26 -2.678 -3.983 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.979 -5.165 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.118 -3.796 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.980 -2.624 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.430 -2.106 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.141 -3.495 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.828 -5.217 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.747 -4.304 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.352 -0.561 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.667 -1.390 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.210 -1.916 -2.049 1.00 0.00 H new ATOM 377 N HIS A 27 -4.540 -7.028 -3.798 1.00 0.00 N ATOM 378 CA HIS A 27 -5.142 -8.289 -4.297 1.00 0.00 C ATOM 379 C HIS A 27 -6.435 -8.577 -3.538 1.00 0.00 C ATOM 380 O HIS A 27 -6.433 -8.806 -2.338 1.00 0.00 O ATOM 381 CB HIS A 27 -4.159 -9.440 -4.085 1.00 0.00 C ATOM 382 CG HIS A 27 -2.787 -8.989 -4.485 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.147 -7.938 -3.851 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.923 -9.422 -5.460 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.958 -7.770 -4.448 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.767 -8.649 -5.435 1.00 0.00 N ATOM 0 H HIS A 27 -4.581 -6.900 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.363 -8.189 -5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.163 -9.751 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.459 -10.305 -4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.112 -10.238 -6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.241 -7.014 -4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.050 -8.735 -6.040 1.00 0.00 H new ATOM 394 N ALA A 28 -7.542 -8.562 -4.226 1.00 0.00 N ATOM 395 CA ALA A 28 -8.842 -8.838 -3.553 1.00 0.00 C ATOM 396 C ALA A 28 -9.213 -10.313 -3.741 1.00 0.00 C ATOM 397 O ALA A 28 -8.936 -10.900 -4.766 1.00 0.00 O ATOM 398 CB ALA A 28 -9.932 -7.964 -4.175 1.00 0.00 C ATOM 0 H ALA A 28 -7.603 -8.370 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.753 -8.615 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.884 -8.165 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.672 -6.913 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.018 -8.190 -5.238 1.00 0.00 H new ATOM 404 N VAL A 29 -9.857 -10.915 -2.771 1.00 0.00 N ATOM 405 CA VAL A 29 -10.262 -12.337 -2.925 1.00 0.00 C ATOM 406 C VAL A 29 -11.713 -12.469 -2.469 1.00 0.00 C ATOM 407 O VAL A 29 -12.062 -12.156 -1.348 1.00 0.00 O ATOM 408 CB VAL A 29 -9.339 -13.254 -2.102 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.120 -14.454 -1.545 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.224 -13.772 -3.011 1.00 0.00 C ATOM 0 H VAL A 29 -10.116 -10.481 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.175 -12.642 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.927 -12.684 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.448 -15.089 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.925 -14.098 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.541 -15.028 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.562 -14.423 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.660 -14.332 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.654 -12.930 -3.404 1.00 0.00 H new ATOM 420 N ASP A 30 -12.556 -12.926 -3.341 1.00 0.00 N ATOM 421 CA ASP A 30 -13.989 -13.079 -2.997 1.00 0.00 C ATOM 422 C ASP A 30 -14.270 -14.559 -2.722 1.00 0.00 C ATOM 423 O ASP A 30 -13.355 -15.360 -2.703 1.00 0.00 O ATOM 424 CB ASP A 30 -14.815 -12.551 -4.175 1.00 0.00 C ATOM 425 CG ASP A 30 -15.078 -13.662 -5.198 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.114 -14.242 -5.672 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.235 -13.912 -5.490 1.00 0.00 O ATOM 0 H ASP A 30 -12.310 -13.204 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.255 -12.515 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.763 -12.154 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.287 -11.727 -4.654 1.00 0.00 H new ATOM 432 N PRO A 31 -15.513 -14.886 -2.501 1.00 0.00 N ATOM 433 CA PRO A 31 -15.915 -16.268 -2.210 1.00 0.00 C ATOM 434 C PRO A 31 -15.991 -17.111 -3.488 1.00 0.00 C ATOM 435 O PRO A 31 -16.624 -18.149 -3.508 1.00 0.00 O ATOM 436 CB PRO A 31 -17.295 -16.111 -1.565 1.00 0.00 C ATOM 437 CG PRO A 31 -17.842 -14.739 -2.030 1.00 0.00 C ATOM 438 CD PRO A 31 -16.631 -13.921 -2.518 1.00 0.00 C ATOM 0 HA PRO A 31 -15.203 -16.787 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.961 -16.918 -1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.223 -16.152 -0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.572 -14.864 -2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.350 -14.228 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.797 -13.521 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.434 -13.072 -1.864 1.00 0.00 H new ATOM 446 N ASP A 32 -15.354 -16.697 -4.557 1.00 0.00 N ATOM 447 CA ASP A 32 -15.418 -17.520 -5.797 1.00 0.00 C ATOM 448 C ASP A 32 -14.001 -17.900 -6.228 1.00 0.00 C ATOM 449 O ASP A 32 -13.780 -18.356 -7.333 1.00 0.00 O ATOM 450 CB ASP A 32 -16.089 -16.714 -6.910 1.00 0.00 C ATOM 451 CG ASP A 32 -16.437 -17.644 -8.073 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.082 -18.650 -7.828 1.00 0.00 O ATOM 453 OD2 ASP A 32 -16.050 -17.335 -9.189 1.00 0.00 O ATOM 0 H ASP A 32 -14.803 -15.841 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.996 -18.424 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.991 -16.233 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.424 -15.921 -7.251 1.00 0.00 H new ATOM 458 N GLY A 33 -13.034 -17.688 -5.378 1.00 0.00 N ATOM 459 CA GLY A 33 -11.634 -18.006 -5.757 1.00 0.00 C ATOM 460 C GLY A 33 -11.208 -16.949 -6.759 1.00 0.00 C ATOM 461 O GLY A 33 -10.491 -17.208 -7.705 1.00 0.00 O ATOM 0 H GLY A 33 -13.155 -17.309 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.984 -17.996 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.567 -19.003 -6.193 1.00 0.00 H new ATOM 465 N VAL A 34 -11.695 -15.756 -6.566 1.00 0.00 N ATOM 466 CA VAL A 34 -11.385 -14.657 -7.510 1.00 0.00 C ATOM 467 C VAL A 34 -11.391 -13.326 -6.757 1.00 0.00 C ATOM 468 O VAL A 34 -11.794 -13.254 -5.615 1.00 0.00 O ATOM 469 CB VAL A 34 -12.472 -14.628 -8.588 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.855 -14.204 -9.917 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.096 -16.022 -8.737 1.00 0.00 C ATOM 0 H VAL A 34 -12.300 -15.497 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.405 -14.814 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.246 -13.918 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.627 -14.183 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.417 -13.211 -9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.079 -14.915 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.869 -15.995 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.325 -16.737 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.539 -16.326 -7.788 1.00 0.00 H new ATOM 481 N HIS A 35 -10.966 -12.268 -7.390 1.00 0.00 N ATOM 482 CA HIS A 35 -10.975 -10.947 -6.704 1.00 0.00 C ATOM 483 C HIS A 35 -12.354 -10.317 -6.894 1.00 0.00 C ATOM 484 O HIS A 35 -12.493 -9.215 -7.388 1.00 0.00 O ATOM 485 CB HIS A 35 -9.891 -10.046 -7.302 1.00 0.00 C ATOM 486 CG HIS A 35 -8.636 -10.852 -7.508 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.508 -10.693 -6.716 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.321 -11.831 -8.415 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.577 -11.558 -7.163 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.022 -12.275 -8.197 1.00 0.00 N ATOM 0 H HIS A 35 -10.615 -12.261 -8.348 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.770 -11.070 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.230 -9.629 -8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.693 -9.205 -6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.983 -12.202 -9.184 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.590 -11.659 -6.736 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.517 -12.994 -8.716 1.00 0.00 H new ATOM 498 N ARG A 36 -13.375 -11.034 -6.511 1.00 0.00 N ATOM 499 CA ARG A 36 -14.766 -10.530 -6.659 1.00 0.00 C ATOM 500 C ARG A 36 -15.071 -10.345 -8.140 1.00 0.00 C ATOM 501 O ARG A 36 -15.206 -9.237 -8.619 1.00 0.00 O ATOM 502 CB ARG A 36 -14.918 -9.193 -5.937 1.00 0.00 C ATOM 503 CG ARG A 36 -15.658 -9.423 -4.623 1.00 0.00 C ATOM 504 CD ARG A 36 -17.006 -8.699 -4.652 1.00 0.00 C ATOM 505 NE ARG A 36 -16.831 -7.292 -4.196 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.637 -6.362 -4.633 1.00 0.00 C ATOM 507 NH1 ARG A 36 -17.827 -6.216 -5.915 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.251 -5.581 -3.787 1.00 0.00 N ATOM 0 H ARG A 36 -13.301 -11.962 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.460 -11.248 -6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.939 -8.754 -5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.467 -8.488 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.812 -10.490 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.058 -9.060 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.417 -8.716 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.720 -9.214 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.083 -7.055 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.346 -6.828 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.456 -5.490 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.101 -5.697 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.881 -4.855 -4.128 1.00 0.00 H new ATOM 522 N THR A 37 -15.174 -11.421 -8.873 1.00 0.00 N ATOM 523 CA THR A 37 -15.460 -11.290 -10.330 1.00 0.00 C ATOM 524 C THR A 37 -14.581 -10.170 -10.904 1.00 0.00 C ATOM 525 O THR A 37 -14.986 -9.025 -10.943 1.00 0.00 O ATOM 526 CB THR A 37 -16.936 -10.929 -10.530 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.509 -10.578 -9.278 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.682 -12.129 -11.114 1.00 0.00 C ATOM 0 H THR A 37 -15.074 -12.376 -8.530 1.00 0.00 H new ATOM 0 HA THR A 37 -15.247 -12.231 -10.837 1.00 0.00 H new ATOM 0 HB THR A 37 -17.014 -10.086 -11.216 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.453 -10.345 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.732 -11.871 -11.256 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.242 -12.399 -12.074 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.605 -12.974 -10.429 1.00 0.00 H new ATOM 536 N ASP A 38 -13.379 -10.480 -11.325 1.00 0.00 N ATOM 537 CA ASP A 38 -12.478 -9.422 -11.869 1.00 0.00 C ATOM 538 C ASP A 38 -13.279 -8.439 -12.724 1.00 0.00 C ATOM 539 O ASP A 38 -14.255 -8.798 -13.354 1.00 0.00 O ATOM 540 CB ASP A 38 -11.390 -10.069 -12.727 1.00 0.00 C ATOM 541 CG ASP A 38 -10.075 -9.310 -12.541 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.126 -8.169 -12.111 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.039 -9.882 -12.834 1.00 0.00 O ATOM 0 H ASP A 38 -12.985 -11.421 -11.315 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.021 -8.884 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.262 -11.114 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.684 -10.057 -13.776 1.00 0.00 H new ATOM 548 N GLY A 39 -12.871 -7.199 -12.750 1.00 0.00 N ATOM 549 CA GLY A 39 -13.607 -6.189 -13.562 1.00 0.00 C ATOM 550 C GLY A 39 -14.712 -5.545 -12.716 1.00 0.00 C ATOM 551 O GLY A 39 -14.966 -4.361 -12.818 1.00 0.00 O ATOM 0 H GLY A 39 -12.060 -6.842 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.918 -5.424 -13.919 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.041 -6.663 -14.442 1.00 0.00 H new ATOM 555 N GLY A 40 -15.379 -6.310 -11.889 1.00 0.00 N ATOM 556 CA GLY A 40 -16.468 -5.724 -11.055 1.00 0.00 C ATOM 557 C GLY A 40 -16.079 -5.764 -9.573 1.00 0.00 C ATOM 558 O GLY A 40 -16.830 -6.233 -8.741 1.00 0.00 O ATOM 0 H GLY A 40 -15.217 -7.308 -11.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.657 -4.695 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.394 -6.278 -11.211 1.00 0.00 H new ATOM 562 N ASP A 41 -14.919 -5.268 -9.231 1.00 0.00 N ATOM 563 CA ASP A 41 -14.501 -5.274 -7.799 1.00 0.00 C ATOM 564 C ASP A 41 -14.744 -3.891 -7.197 1.00 0.00 C ATOM 565 O ASP A 41 -14.162 -2.915 -7.624 1.00 0.00 O ATOM 566 CB ASP A 41 -13.005 -5.600 -7.689 1.00 0.00 C ATOM 567 CG ASP A 41 -12.657 -6.763 -8.619 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.563 -7.284 -9.248 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.491 -7.116 -8.681 1.00 0.00 O ATOM 0 H ASP A 41 -14.245 -4.860 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.080 -6.027 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.412 -4.723 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.755 -5.858 -6.660 1.00 0.00 H new ATOM 574 N GLY A 42 -15.579 -3.797 -6.197 1.00 0.00 N ATOM 575 CA GLY A 42 -15.818 -2.469 -5.564 1.00 0.00 C ATOM 576 C GLY A 42 -14.528 -2.067 -4.856 1.00 0.00 C ATOM 577 O GLY A 42 -14.441 -2.069 -3.644 1.00 0.00 O ATOM 0 H GLY A 42 -16.101 -4.575 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.091 -1.728 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.645 -2.524 -4.856 1.00 0.00 H new ATOM 581 N PHE A 43 -13.513 -1.768 -5.616 1.00 0.00 N ATOM 582 CA PHE A 43 -12.201 -1.415 -5.013 1.00 0.00 C ATOM 583 C PHE A 43 -11.930 0.081 -5.110 1.00 0.00 C ATOM 584 O PHE A 43 -12.011 0.681 -6.164 1.00 0.00 O ATOM 585 CB PHE A 43 -11.101 -2.157 -5.766 1.00 0.00 C ATOM 586 CG PHE A 43 -10.138 -2.782 -4.788 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.202 -1.985 -4.119 1.00 0.00 C ATOM 588 CD2 PHE A 43 -10.173 -4.161 -4.561 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.304 -2.571 -3.221 1.00 0.00 C ATOM 590 CE2 PHE A 43 -9.275 -4.747 -3.667 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.339 -3.953 -2.996 1.00 0.00 C ATOM 0 H PHE A 43 -13.537 -1.753 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.219 -1.697 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.539 -2.927 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.570 -1.468 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.173 -0.920 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.896 -4.774 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.583 -1.958 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.303 -5.813 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.644 -4.405 -2.305 1.00 0.00 H new ATOM 601 N VAL A 44 -11.561 0.668 -4.013 1.00 0.00 N ATOM 602 CA VAL A 44 -11.221 2.112 -3.998 1.00 0.00 C ATOM 603 C VAL A 44 -9.993 2.285 -3.099 1.00 0.00 C ATOM 604 O VAL A 44 -10.053 2.076 -1.903 1.00 0.00 O ATOM 605 CB VAL A 44 -12.411 2.935 -3.463 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.215 2.102 -2.465 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.912 4.211 -2.765 1.00 0.00 C ATOM 0 H VAL A 44 -11.479 0.201 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.004 2.468 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.044 3.211 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.053 2.690 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.592 1.206 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.574 1.815 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.765 4.780 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.265 3.940 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.352 4.819 -3.475 1.00 0.00 H new ATOM 617 N VAL A 45 -8.881 2.662 -3.665 1.00 0.00 N ATOM 618 CA VAL A 45 -7.656 2.847 -2.843 1.00 0.00 C ATOM 619 C VAL A 45 -7.211 4.295 -2.953 1.00 0.00 C ATOM 620 O VAL A 45 -7.465 4.959 -3.938 1.00 0.00 O ATOM 621 CB VAL A 45 -6.544 1.922 -3.339 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.325 2.046 -2.420 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.039 0.474 -3.332 1.00 0.00 C ATOM 0 H VAL A 45 -8.769 2.850 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.871 2.602 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.266 2.206 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.533 1.386 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.969 3.076 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.605 1.764 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.245 -0.184 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.320 0.190 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.905 0.382 -3.987 1.00 0.00 H new ATOM 633 N THR A 46 -6.569 4.801 -1.946 1.00 0.00 N ATOM 634 CA THR A 46 -6.141 6.214 -2.001 1.00 0.00 C ATOM 635 C THR A 46 -5.006 6.476 -1.013 1.00 0.00 C ATOM 636 O THR A 46 -5.088 6.156 0.160 1.00 0.00 O ATOM 637 CB THR A 46 -7.332 7.110 -1.655 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.355 6.322 -1.063 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.865 7.769 -2.928 1.00 0.00 C ATOM 0 H THR A 46 -6.324 4.299 -1.092 1.00 0.00 H new ATOM 0 HA THR A 46 -5.782 6.434 -3.006 1.00 0.00 H new ATOM 0 HB THR A 46 -7.016 7.884 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.119 6.893 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.713 8.407 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.079 8.372 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.184 6.999 -3.630 1.00 0.00 H new ATOM 647 N ILE A 47 -3.964 7.089 -1.487 1.00 0.00 N ATOM 648 CA ILE A 47 -2.816 7.438 -0.610 1.00 0.00 C ATOM 649 C ILE A 47 -2.589 8.933 -0.692 1.00 0.00 C ATOM 650 O ILE A 47 -2.911 9.569 -1.675 1.00 0.00 O ATOM 651 CB ILE A 47 -1.526 6.746 -1.075 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.445 5.322 -0.499 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.305 7.573 -0.614 1.00 0.00 C ATOM 654 CD1 ILE A 47 -0.012 5.059 -0.015 1.00 0.00 C ATOM 0 H ILE A 47 -3.856 7.368 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.049 7.115 0.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.529 6.679 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.148 5.209 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.726 4.592 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.611 7.083 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.358 8.572 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.306 7.648 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.054 4.051 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.679 5.156 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.250 5.783 0.757 1.00 0.00 H new ATOM 666 N GLU A 48 -1.983 9.493 0.307 1.00 0.00 N ATOM 667 CA GLU A 48 -1.683 10.939 0.227 1.00 0.00 C ATOM 668 C GLU A 48 -0.784 11.366 1.388 1.00 0.00 C ATOM 669 O GLU A 48 -0.751 10.749 2.434 1.00 0.00 O ATOM 670 CB GLU A 48 -2.980 11.751 0.250 1.00 0.00 C ATOM 671 CG GLU A 48 -4.042 11.006 1.061 1.00 0.00 C ATOM 672 CD GLU A 48 -4.814 11.999 1.932 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.098 13.083 1.451 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.109 11.658 3.066 1.00 0.00 O ATOM 0 H GLU A 48 -1.687 9.022 1.162 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.160 11.129 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.798 12.733 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.335 11.916 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.727 10.486 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.571 10.248 1.687 1.00 0.00 H new ATOM 681 N GLY A 49 -0.063 12.432 1.196 1.00 0.00 N ATOM 682 CA GLY A 49 0.842 12.949 2.260 1.00 0.00 C ATOM 683 C GLY A 49 1.127 14.427 1.974 1.00 0.00 C ATOM 684 O GLY A 49 0.500 15.018 1.119 1.00 0.00 O ATOM 0 H GLY A 49 -0.062 12.977 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.380 12.834 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.771 12.380 2.277 1.00 0.00 H new ATOM 688 N PRO A 50 2.067 14.981 2.691 1.00 0.00 N ATOM 689 CA PRO A 50 2.456 16.392 2.525 1.00 0.00 C ATOM 690 C PRO A 50 3.337 16.559 1.280 1.00 0.00 C ATOM 691 O PRO A 50 4.520 16.816 1.375 1.00 0.00 O ATOM 692 CB PRO A 50 3.242 16.700 3.802 1.00 0.00 C ATOM 693 CG PRO A 50 3.739 15.339 4.347 1.00 0.00 C ATOM 694 CD PRO A 50 2.827 14.258 3.730 1.00 0.00 C ATOM 0 HA PRO A 50 1.606 17.060 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.081 17.364 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.612 17.205 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.781 15.169 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.687 15.315 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.409 13.441 3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.165 13.821 4.477 1.00 0.00 H new ATOM 702 N ALA A 51 2.767 16.411 0.113 1.00 0.00 N ATOM 703 CA ALA A 51 3.566 16.555 -1.136 1.00 0.00 C ATOM 704 C ALA A 51 2.625 16.902 -2.296 1.00 0.00 C ATOM 705 O ALA A 51 1.432 17.014 -2.104 1.00 0.00 O ATOM 706 CB ALA A 51 4.292 15.239 -1.422 1.00 0.00 C ATOM 0 H ALA A 51 1.780 16.196 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 51 4.302 17.351 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.879 15.338 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.954 15.000 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.561 14.440 -1.545 1.00 0.00 H new ATOM 712 N PRO A 52 3.189 17.071 -3.465 1.00 0.00 N ATOM 713 CA PRO A 52 2.414 17.417 -4.672 1.00 0.00 C ATOM 714 C PRO A 52 1.659 16.197 -5.215 1.00 0.00 C ATOM 715 O PRO A 52 0.455 16.223 -5.372 1.00 0.00 O ATOM 716 CB PRO A 52 3.481 17.898 -5.659 1.00 0.00 C ATOM 717 CG PRO A 52 4.822 17.286 -5.185 1.00 0.00 C ATOM 718 CD PRO A 52 4.644 16.933 -3.696 1.00 0.00 C ATOM 0 HA PRO A 52 1.647 18.168 -4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.245 17.577 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.534 18.987 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.069 16.398 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.640 17.994 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.988 15.921 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.215 17.605 -3.056 1.00 0.00 H new ATOM 726 N VAL A 53 2.352 15.129 -5.501 1.00 0.00 N ATOM 727 CA VAL A 53 1.664 13.914 -6.030 1.00 0.00 C ATOM 728 C VAL A 53 1.235 13.033 -4.851 1.00 0.00 C ATOM 729 O VAL A 53 1.914 12.090 -4.499 1.00 0.00 O ATOM 730 CB VAL A 53 2.634 13.134 -6.919 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.857 12.126 -7.767 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.375 14.108 -7.838 1.00 0.00 C ATOM 0 H VAL A 53 3.363 15.044 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 53 0.789 14.205 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 53 3.351 12.603 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.550 11.572 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.328 11.432 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.138 12.655 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.067 13.554 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.656 14.638 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.931 14.826 -7.235 1.00 0.00 H new ATOM 742 N ASP A 54 0.132 13.343 -4.213 1.00 0.00 N ATOM 743 CA ASP A 54 -0.290 12.526 -3.043 1.00 0.00 C ATOM 744 C ASP A 54 -1.333 11.457 -3.437 1.00 0.00 C ATOM 745 O ASP A 54 -1.193 10.314 -3.052 1.00 0.00 O ATOM 746 CB ASP A 54 -0.854 13.455 -1.956 1.00 0.00 C ATOM 747 CG ASP A 54 0.267 14.353 -1.420 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.389 13.881 -1.336 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.018 15.495 -1.101 1.00 0.00 O ATOM 0 H ASP A 54 -0.485 14.119 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 54 0.582 11.996 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.659 14.065 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.282 12.866 -1.145 1.00 0.00 H new ATOM 754 N PRO A 55 -2.354 11.843 -4.173 1.00 0.00 N ATOM 755 CA PRO A 55 -3.422 10.908 -4.591 1.00 0.00 C ATOM 756 C PRO A 55 -3.024 10.135 -5.857 1.00 0.00 C ATOM 757 O PRO A 55 -3.020 10.682 -6.942 1.00 0.00 O ATOM 758 CB PRO A 55 -4.595 11.837 -4.906 1.00 0.00 C ATOM 759 CG PRO A 55 -3.981 13.222 -5.228 1.00 0.00 C ATOM 760 CD PRO A 55 -2.552 13.225 -4.650 1.00 0.00 C ATOM 0 HA PRO A 55 -3.640 10.159 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.172 11.462 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.277 11.902 -4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.962 13.395 -6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.577 14.021 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.816 13.495 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.452 13.945 -3.838 1.00 0.00 H new ATOM 768 N VAL A 56 -2.688 8.874 -5.740 1.00 0.00 N ATOM 769 CA VAL A 56 -2.298 8.107 -6.948 1.00 0.00 C ATOM 770 C VAL A 56 -2.772 6.659 -6.847 1.00 0.00 C ATOM 771 O VAL A 56 -2.112 5.828 -6.255 1.00 0.00 O ATOM 772 CB VAL A 56 -0.794 8.082 -7.031 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.375 7.517 -8.393 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.240 9.499 -6.866 1.00 0.00 C ATOM 0 H VAL A 56 -2.669 8.352 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.747 8.580 -7.821 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.396 7.453 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.713 7.496 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.765 6.505 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.775 8.148 -9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.848 9.474 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.633 10.138 -7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.540 9.896 -5.896 1.00 0.00 H new ATOM 784 N MET A 57 -3.883 6.334 -7.432 1.00 0.00 N ATOM 785 CA MET A 57 -4.340 4.919 -7.369 1.00 0.00 C ATOM 786 C MET A 57 -4.937 4.490 -8.713 1.00 0.00 C ATOM 787 O MET A 57 -5.654 5.232 -9.355 1.00 0.00 O ATOM 788 CB MET A 57 -5.357 4.753 -6.233 1.00 0.00 C ATOM 789 CG MET A 57 -6.693 5.387 -6.628 1.00 0.00 C ATOM 790 SD MET A 57 -6.632 7.171 -6.323 1.00 0.00 S ATOM 791 CE MET A 57 -6.959 7.703 -8.021 1.00 0.00 C ATOM 0 H MET A 57 -4.490 6.973 -7.945 1.00 0.00 H new ATOM 0 HA MET A 57 -3.485 4.274 -7.164 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.499 3.695 -6.013 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.978 5.220 -5.324 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.901 5.195 -7.680 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.504 4.937 -6.055 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.670 8.529 -8.013 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.029 8.030 -8.486 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.376 6.871 -8.589 1.00 0.00 H new ATOM 801 N VAL A 58 -4.624 3.293 -9.151 1.00 0.00 N ATOM 802 CA VAL A 58 -5.149 2.812 -10.462 1.00 0.00 C ATOM 803 C VAL A 58 -5.615 1.354 -10.345 1.00 0.00 C ATOM 804 O VAL A 58 -5.161 0.603 -9.496 1.00 0.00 O ATOM 805 CB VAL A 58 -4.057 2.883 -11.537 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.637 3.509 -12.807 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.878 3.733 -11.048 1.00 0.00 C ATOM 0 H VAL A 58 -4.027 2.631 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.986 3.452 -10.742 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.702 1.874 -11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.863 3.561 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.465 2.899 -13.168 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.997 4.514 -12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.112 3.773 -11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.224 4.743 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.458 3.288 -10.146 1.00 0.00 H new ATOM 817 N ASP A 59 -6.512 0.949 -11.207 1.00 0.00 N ATOM 818 CA ASP A 59 -7.024 -0.449 -11.184 1.00 0.00 C ATOM 819 C ASP A 59 -6.677 -1.131 -12.514 1.00 0.00 C ATOM 820 O ASP A 59 -6.961 -0.614 -13.576 1.00 0.00 O ATOM 821 CB ASP A 59 -8.544 -0.409 -11.005 1.00 0.00 C ATOM 822 CG ASP A 59 -9.120 -1.825 -11.060 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.667 -2.600 -11.887 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.006 -2.112 -10.273 1.00 0.00 O ATOM 0 H ASP A 59 -6.915 1.538 -11.935 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.571 -1.007 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.793 0.056 -10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.993 0.205 -11.786 1.00 0.00 H new ATOM 829 N ASN A 60 -6.051 -2.278 -12.467 1.00 0.00 N ATOM 830 CA ASN A 60 -5.678 -2.973 -13.736 1.00 0.00 C ATOM 831 C ASN A 60 -6.813 -3.883 -14.218 1.00 0.00 C ATOM 832 O ASN A 60 -6.892 -4.209 -15.386 1.00 0.00 O ATOM 833 CB ASN A 60 -4.418 -3.811 -13.506 1.00 0.00 C ATOM 834 CG ASN A 60 -3.846 -4.256 -14.854 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.826 -3.759 -15.290 1.00 0.00 O ATOM 836 ND2 ASN A 60 -4.466 -5.179 -15.539 1.00 0.00 N ATOM 0 H ASN A 60 -5.783 -2.762 -11.610 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.492 -2.219 -14.500 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.676 -3.229 -12.959 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.654 -4.682 -12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.094 -5.482 -16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.322 -5.597 -15.174 1.00 0.00 H new ATOM 843 N GLY A 61 -7.703 -4.289 -13.353 1.00 0.00 N ATOM 844 CA GLY A 61 -8.820 -5.158 -13.810 1.00 0.00 C ATOM 845 C GLY A 61 -8.415 -6.635 -13.731 1.00 0.00 C ATOM 846 O GLY A 61 -9.155 -7.508 -14.139 1.00 0.00 O ATOM 0 H GLY A 61 -7.704 -4.058 -12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.701 -4.983 -13.193 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.092 -4.903 -14.834 1.00 0.00 H new ATOM 850 N ASP A 62 -7.251 -6.926 -13.217 1.00 0.00 N ATOM 851 CA ASP A 62 -6.814 -8.350 -13.123 1.00 0.00 C ATOM 852 C ASP A 62 -6.990 -8.849 -11.687 1.00 0.00 C ATOM 853 O ASP A 62 -6.314 -9.759 -11.249 1.00 0.00 O ATOM 854 CB ASP A 62 -5.340 -8.456 -13.521 1.00 0.00 C ATOM 855 CG ASP A 62 -4.499 -7.575 -12.596 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.058 -6.662 -12.010 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.310 -7.826 -12.488 1.00 0.00 O ATOM 0 H ASP A 62 -6.585 -6.242 -12.859 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.420 -8.959 -13.794 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.008 -9.492 -13.455 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.208 -8.144 -14.557 1.00 0.00 H new ATOM 862 N GLY A 63 -7.890 -8.257 -10.945 1.00 0.00 N ATOM 863 CA GLY A 63 -8.102 -8.696 -9.534 1.00 0.00 C ATOM 864 C GLY A 63 -7.040 -8.057 -8.632 1.00 0.00 C ATOM 865 O GLY A 63 -7.106 -8.135 -7.410 1.00 0.00 O ATOM 0 H GLY A 63 -8.486 -7.490 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.099 -8.409 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.044 -9.782 -9.468 1.00 0.00 H new ATOM 869 N THR A 64 -6.065 -7.420 -9.228 1.00 0.00 N ATOM 870 CA THR A 64 -4.995 -6.764 -8.434 1.00 0.00 C ATOM 871 C THR A 64 -4.932 -5.284 -8.823 1.00 0.00 C ATOM 872 O THR A 64 -5.017 -4.940 -9.985 1.00 0.00 O ATOM 873 CB THR A 64 -3.649 -7.428 -8.740 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.484 -7.531 -10.147 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.611 -8.824 -8.116 1.00 0.00 C ATOM 0 H THR A 64 -5.968 -7.328 -10.239 1.00 0.00 H new ATOM 0 HA THR A 64 -5.210 -6.862 -7.370 1.00 0.00 H new ATOM 0 HB THR A 64 -2.843 -6.825 -8.322 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.918 -6.769 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.652 -9.294 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.737 -8.744 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.416 -9.430 -8.531 1.00 0.00 H new ATOM 883 N TYR A 65 -4.797 -4.403 -7.870 1.00 0.00 N ATOM 884 CA TYR A 65 -4.745 -2.954 -8.209 1.00 0.00 C ATOM 885 C TYR A 65 -3.422 -2.367 -7.729 1.00 0.00 C ATOM 886 O TYR A 65 -2.778 -2.906 -6.850 1.00 0.00 O ATOM 887 CB TYR A 65 -5.940 -2.262 -7.554 1.00 0.00 C ATOM 888 CG TYR A 65 -7.183 -2.995 -8.000 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.261 -3.476 -9.311 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.244 -3.213 -7.114 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.388 -4.172 -9.741 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.377 -3.909 -7.548 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.451 -4.389 -8.861 1.00 0.00 C ATOM 894 OH TYR A 65 -10.568 -5.077 -9.284 1.00 0.00 O ATOM 0 H TYR A 65 -4.721 -4.623 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.801 -2.804 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.849 -2.285 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.986 -1.213 -7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.442 -3.307 -9.994 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.188 -2.846 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.440 -4.544 -10.754 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.198 -4.077 -6.867 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.506 -6.011 -8.994 1.00 0.00 H new ATOM 904 N ASP A 66 -2.981 -1.288 -8.321 1.00 0.00 N ATOM 905 CA ASP A 66 -1.675 -0.715 -7.907 1.00 0.00 C ATOM 906 C ASP A 66 -1.824 0.765 -7.585 1.00 0.00 C ATOM 907 O ASP A 66 -2.501 1.503 -8.272 1.00 0.00 O ATOM 908 CB ASP A 66 -0.665 -0.888 -9.042 1.00 0.00 C ATOM 909 CG ASP A 66 0.742 -0.586 -8.522 1.00 0.00 C ATOM 910 OD1 ASP A 66 1.229 -1.354 -7.710 1.00 0.00 O ATOM 911 OD2 ASP A 66 1.306 0.410 -8.944 1.00 0.00 O ATOM 0 H ASP A 66 -3.466 -0.786 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.326 -1.236 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.710 -1.905 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.911 -0.220 -9.867 1.00 0.00 H new ATOM 916 N VAL A 67 -1.182 1.199 -6.543 1.00 0.00 N ATOM 917 CA VAL A 67 -1.257 2.627 -6.157 1.00 0.00 C ATOM 918 C VAL A 67 0.184 3.154 -6.025 1.00 0.00 C ATOM 919 O VAL A 67 1.081 2.403 -5.688 1.00 0.00 O ATOM 920 CB VAL A 67 -2.025 2.729 -4.833 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.210 1.761 -4.862 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.124 2.344 -3.685 1.00 0.00 C ATOM 0 H VAL A 67 -0.603 0.618 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.782 3.227 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.372 3.754 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.759 1.830 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.871 2.020 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.845 0.743 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.676 2.419 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.778 1.319 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.266 3.015 -3.655 1.00 0.00 H new ATOM 932 N GLU A 68 0.440 4.413 -6.316 1.00 0.00 N ATOM 933 CA GLU A 68 1.861 4.891 -6.223 1.00 0.00 C ATOM 934 C GLU A 68 1.967 6.396 -5.977 1.00 0.00 C ATOM 935 O GLU A 68 1.508 7.197 -6.750 1.00 0.00 O ATOM 936 CB GLU A 68 2.579 4.612 -7.539 1.00 0.00 C ATOM 937 CG GLU A 68 2.067 3.308 -8.155 1.00 0.00 C ATOM 938 CD GLU A 68 2.840 3.020 -9.443 1.00 0.00 C ATOM 939 OE1 GLU A 68 3.356 3.960 -10.025 1.00 0.00 O ATOM 940 OE2 GLU A 68 2.901 1.863 -9.828 1.00 0.00 O ATOM 0 H GLU A 68 -0.248 5.109 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 68 2.307 4.359 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.418 5.438 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.653 4.545 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.192 2.486 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.001 3.387 -8.367 1.00 0.00 H new ATOM 947 N PHE A 69 2.666 6.783 -4.958 1.00 0.00 N ATOM 948 CA PHE A 69 2.879 8.240 -4.705 1.00 0.00 C ATOM 949 C PHE A 69 4.382 8.450 -4.449 1.00 0.00 C ATOM 950 O PHE A 69 5.094 7.523 -4.093 1.00 0.00 O ATOM 951 CB PHE A 69 2.046 8.741 -3.509 1.00 0.00 C ATOM 952 CG PHE A 69 2.587 8.170 -2.239 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.568 6.791 -2.025 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.102 9.029 -1.268 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.067 6.273 -0.832 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.601 8.509 -0.079 1.00 0.00 C ATOM 957 CZ PHE A 69 3.581 7.127 0.134 1.00 0.00 C ATOM 0 H PHE A 69 3.104 6.157 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 69 2.550 8.815 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.071 9.830 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.003 8.450 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.169 6.130 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.113 10.095 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.054 5.207 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.002 9.169 0.676 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.968 6.721 1.057 1.00 0.00 H new ATOM 967 N GLU A 70 4.885 9.635 -4.664 1.00 0.00 N ATOM 968 CA GLU A 70 6.345 9.860 -4.457 1.00 0.00 C ATOM 969 C GLU A 70 6.590 11.307 -3.984 1.00 0.00 C ATOM 970 O GLU A 70 6.460 12.234 -4.758 1.00 0.00 O ATOM 971 CB GLU A 70 7.065 9.622 -5.783 1.00 0.00 C ATOM 972 CG GLU A 70 8.509 10.113 -5.684 1.00 0.00 C ATOM 973 CD GLU A 70 9.155 10.067 -7.070 1.00 0.00 C ATOM 974 OE1 GLU A 70 8.475 10.389 -8.030 1.00 0.00 O ATOM 975 OE2 GLU A 70 10.320 9.711 -7.148 1.00 0.00 O ATOM 0 H GLU A 70 4.355 10.450 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 70 6.723 9.175 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.048 8.561 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.548 10.145 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.533 11.130 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.070 9.490 -4.988 1.00 0.00 H new ATOM 982 N PRO A 71 6.928 11.453 -2.722 1.00 0.00 N ATOM 983 CA PRO A 71 7.189 12.774 -2.106 1.00 0.00 C ATOM 984 C PRO A 71 8.597 13.295 -2.453 1.00 0.00 C ATOM 985 O PRO A 71 9.192 12.903 -3.437 1.00 0.00 O ATOM 986 CB PRO A 71 7.067 12.492 -0.605 1.00 0.00 C ATOM 987 CG PRO A 71 7.320 10.978 -0.421 1.00 0.00 C ATOM 988 CD PRO A 71 7.076 10.318 -1.790 1.00 0.00 C ATOM 0 HA PRO A 71 6.503 13.544 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.792 13.078 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.079 12.768 -0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.339 10.795 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.651 10.563 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.909 9.675 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.182 9.695 -1.777 1.00 0.00 H new ATOM 996 N LYS A 72 9.121 14.192 -1.649 1.00 0.00 N ATOM 997 CA LYS A 72 10.480 14.767 -1.922 1.00 0.00 C ATOM 998 C LYS A 72 11.225 15.055 -0.602 1.00 0.00 C ATOM 999 O LYS A 72 12.296 14.537 -0.361 1.00 0.00 O ATOM 1000 CB LYS A 72 10.331 16.070 -2.718 1.00 0.00 C ATOM 1001 CG LYS A 72 8.979 16.718 -2.406 1.00 0.00 C ATOM 1002 CD LYS A 72 9.095 18.236 -2.542 1.00 0.00 C ATOM 1003 CE LYS A 72 8.383 18.685 -3.819 1.00 0.00 C ATOM 1004 NZ LYS A 72 7.918 20.091 -3.660 1.00 0.00 N ATOM 0 H LYS A 72 8.664 14.552 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 72 11.057 14.043 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.140 16.756 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.409 15.865 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.217 16.339 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.663 16.456 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.653 18.725 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.144 18.531 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.059 18.608 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.535 18.031 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.434 20.397 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.260 20.150 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.736 20.709 -3.484 1.00 0.00 H new ATOM 1018 N GLU A 73 10.678 15.886 0.249 1.00 0.00 N ATOM 1019 CA GLU A 73 11.358 16.222 1.530 1.00 0.00 C ATOM 1020 C GLU A 73 10.845 15.302 2.655 1.00 0.00 C ATOM 1021 O GLU A 73 10.738 14.107 2.477 1.00 0.00 O ATOM 1022 CB GLU A 73 11.050 17.688 1.844 1.00 0.00 C ATOM 1023 CG GLU A 73 9.529 17.885 1.889 1.00 0.00 C ATOM 1024 CD GLU A 73 9.198 19.133 2.709 1.00 0.00 C ATOM 1025 OE1 GLU A 73 10.109 19.898 2.981 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.039 19.303 3.052 1.00 0.00 O ATOM 0 H GLU A 73 9.780 16.349 0.106 1.00 0.00 H new ATOM 0 HA GLU A 73 12.435 16.075 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.494 17.969 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.490 18.335 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.135 17.987 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.052 17.010 2.330 1.00 0.00 H new ATOM 1033 N ALA A 74 10.526 15.840 3.809 1.00 0.00 N ATOM 1034 CA ALA A 74 10.023 14.983 4.923 1.00 0.00 C ATOM 1035 C ALA A 74 8.509 14.902 4.834 1.00 0.00 C ATOM 1036 O ALA A 74 7.835 15.891 4.627 1.00 0.00 O ATOM 1037 CB ALA A 74 10.445 15.584 6.262 1.00 0.00 C ATOM 0 H ALA A 74 10.593 16.835 4.024 1.00 0.00 H new ATOM 0 HA ALA A 74 10.444 13.981 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.077 14.957 7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.533 15.638 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.027 16.586 6.359 1.00 0.00 H new ATOM 1043 N GLY A 75 7.965 13.724 4.953 1.00 0.00 N ATOM 1044 CA GLY A 75 6.492 13.600 4.832 1.00 0.00 C ATOM 1045 C GLY A 75 6.006 12.288 5.433 1.00 0.00 C ATOM 1046 O GLY A 75 6.739 11.326 5.549 1.00 0.00 O ATOM 0 H GLY A 75 8.470 12.855 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.010 14.437 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.204 13.653 3.782 1.00 0.00 H new ATOM 1050 N ASP A 76 4.758 12.245 5.784 1.00 0.00 N ATOM 1051 CA ASP A 76 4.169 11.008 6.351 1.00 0.00 C ATOM 1052 C ASP A 76 3.110 10.530 5.377 1.00 0.00 C ATOM 1053 O ASP A 76 2.608 11.290 4.572 1.00 0.00 O ATOM 1054 CB ASP A 76 3.540 11.305 7.713 1.00 0.00 C ATOM 1055 CG ASP A 76 2.661 12.552 7.609 1.00 0.00 C ATOM 1056 OD1 ASP A 76 3.210 13.642 7.609 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.454 12.397 7.532 1.00 0.00 O ATOM 0 H ASP A 76 4.110 13.028 5.701 1.00 0.00 H new ATOM 0 HA ASP A 76 4.933 10.244 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.944 10.454 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.319 11.458 8.460 1.00 0.00 H new ATOM 1062 N TYR A 77 2.793 9.277 5.403 1.00 0.00 N ATOM 1063 CA TYR A 77 1.797 8.767 4.430 1.00 0.00 C ATOM 1064 C TYR A 77 0.550 8.287 5.127 1.00 0.00 C ATOM 1065 O TYR A 77 0.597 7.587 6.114 1.00 0.00 O ATOM 1066 CB TYR A 77 2.356 7.569 3.679 1.00 0.00 C ATOM 1067 CG TYR A 77 3.749 7.844 3.221 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.141 9.147 2.926 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.635 6.782 3.054 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.431 9.393 2.456 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.923 7.022 2.585 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.326 8.330 2.282 1.00 0.00 C ATOM 1073 OH TYR A 77 7.602 8.570 1.818 1.00 0.00 O ATOM 0 H TYR A 77 3.174 8.585 6.049 1.00 0.00 H new ATOM 0 HA TYR A 77 1.568 9.591 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.346 6.691 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.723 7.342 2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.448 9.965 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.323 5.775 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.739 10.402 2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.612 6.201 2.454 1.00 0.00 H new ATOM 0 HH TYR A 77 8.009 7.727 1.530 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.562 8.602 4.558 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.846 8.117 5.094 1.00 0.00 C ATOM 1085 C VAL A 78 -2.428 7.243 4.004 1.00 0.00 C ATOM 1086 O VAL A 78 -2.493 7.633 2.844 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.770 9.276 5.418 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.625 10.350 4.344 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.216 8.776 5.470 1.00 0.00 C ATOM 0 H VAL A 78 -0.639 9.188 3.726 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.715 7.565 6.025 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.506 9.700 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.287 11.185 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.594 10.702 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.890 9.932 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.881 9.608 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.490 8.353 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.309 8.011 6.241 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.772 6.045 4.341 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.266 5.115 3.282 1.00 0.00 C ATOM 1101 C ILE A 79 -4.763 4.851 3.374 1.00 0.00 C ATOM 1102 O ILE A 79 -5.402 5.028 4.390 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.494 3.791 3.354 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.158 3.992 4.086 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.206 3.295 1.937 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.305 3.587 5.554 1.00 0.00 C ATOM 0 H ILE A 79 -2.738 5.663 5.286 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.091 5.601 2.322 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.098 3.063 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.379 3.395 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.848 5.035 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.657 2.354 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.146 3.140 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.609 4.036 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.355 3.732 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.071 4.203 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.595 2.538 5.615 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.316 4.427 2.277 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.760 4.118 2.221 1.00 0.00 C ATOM 1120 C ASN A 80 -7.011 3.082 1.119 1.00 0.00 C ATOM 1121 O ASN A 80 -6.857 3.357 -0.052 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.533 5.385 1.896 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.952 6.560 2.682 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.491 6.954 3.698 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -5.866 7.141 2.254 1.00 0.00 N ATOM 0 H ASN A 80 -4.815 4.280 1.401 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.087 3.723 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.481 5.590 0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.586 5.254 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.469 7.925 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.413 6.811 1.402 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.428 1.907 1.488 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.734 0.853 0.478 1.00 0.00 C ATOM 1134 C LEU A 81 -9.011 0.173 0.934 1.00 0.00 C ATOM 1135 O LEU A 81 -9.123 -0.248 2.063 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.569 -0.151 0.355 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.874 -1.460 1.086 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.817 -2.290 0.234 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -5.585 -2.245 1.293 1.00 0.00 C ATOM 0 H LEU A 81 -7.573 1.625 2.458 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.865 1.286 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.376 -0.358 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.661 0.292 0.765 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.328 -1.239 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.041 -3.226 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.741 -1.736 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.347 -2.505 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.806 -3.177 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.135 -2.468 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.890 -1.653 1.888 1.00 0.00 H new ATOM 1151 N THR A 82 -9.988 0.112 0.091 1.00 0.00 N ATOM 1152 CA THR A 82 -11.283 -0.486 0.517 1.00 0.00 C ATOM 1153 C THR A 82 -11.841 -1.428 -0.541 1.00 0.00 C ATOM 1154 O THR A 82 -11.838 -1.131 -1.720 1.00 0.00 O ATOM 1155 CB THR A 82 -12.268 0.663 0.738 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.070 1.648 -0.263 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.041 1.287 2.112 1.00 0.00 C ATOM 0 H THR A 82 -9.954 0.447 -0.872 1.00 0.00 H new ATOM 0 HA THR A 82 -11.130 -1.067 1.427 1.00 0.00 H new ATOM 0 HB THR A 82 -13.286 0.278 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.379 1.344 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.746 2.104 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.191 0.532 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.023 1.671 2.174 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.352 -2.557 -0.122 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.950 -3.506 -1.118 1.00 0.00 C ATOM 1167 C LEU A 83 -14.280 -4.032 -0.584 1.00 0.00 C ATOM 1168 O LEU A 83 -14.370 -5.161 -0.162 1.00 0.00 O ATOM 1169 CB LEU A 83 -12.003 -4.690 -1.367 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.462 -5.508 -2.595 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.569 -6.481 -2.182 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.004 -4.574 -3.683 1.00 0.00 C ATOM 0 H LEU A 83 -12.383 -2.863 0.851 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.108 -2.974 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.989 -4.324 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.975 -5.331 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.606 -6.060 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.890 -7.056 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.191 -7.159 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.415 -5.921 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.324 -5.163 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.853 -4.013 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.221 -3.880 -3.990 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.297 -3.201 -0.604 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.664 -3.586 -0.115 1.00 0.00 C ATOM 1186 C ASP A 84 -17.264 -2.391 0.618 1.00 0.00 C ATOM 1187 O ASP A 84 -18.463 -2.279 0.780 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.638 -4.805 0.820 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.646 -6.094 -0.010 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.386 -6.146 -0.978 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.913 -7.003 0.338 1.00 0.00 O ATOM 0 H ASP A 84 -15.235 -2.243 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.268 -3.865 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.749 -4.773 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.502 -4.784 1.485 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.422 -1.507 1.086 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.911 -0.325 1.838 1.00 0.00 C ATOM 1198 C GLY A 85 -16.077 -0.168 3.115 1.00 0.00 C ATOM 1199 O GLY A 85 -16.276 0.751 3.882 1.00 0.00 O ATOM 0 H GLY A 85 -15.409 -1.558 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.832 0.572 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.965 -0.447 2.089 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.132 -1.051 3.347 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.290 -0.929 4.562 1.00 0.00 C ATOM 1205 C ASP A 86 -12.833 -0.877 4.109 1.00 0.00 C ATOM 1206 O ASP A 86 -12.534 -1.179 2.974 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.509 -2.146 5.465 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.659 -1.865 6.434 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.679 -0.786 7.001 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -16.499 -2.735 6.593 1.00 0.00 O ATOM 0 H ASP A 86 -14.915 -1.845 2.745 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.550 -0.031 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.736 -3.024 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.598 -2.368 6.021 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.921 -0.505 4.959 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.502 -0.455 4.515 1.00 0.00 C ATOM 1217 C ASN A 87 -9.747 -1.623 5.123 1.00 0.00 C ATOM 1218 O ASN A 87 -10.157 -2.192 6.115 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.851 0.864 4.956 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.929 1.917 5.233 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.678 1.801 6.183 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -11.038 2.945 4.439 1.00 0.00 N ATOM 0 H ASN A 87 -12.091 -0.237 5.928 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.466 -0.517 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.252 0.701 5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.174 1.221 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.752 3.652 4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.409 3.042 3.642 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.649 -1.998 4.535 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.890 -3.145 5.093 1.00 0.00 C ATOM 1231 C VAL A 88 -7.341 -2.753 6.474 1.00 0.00 C ATOM 1232 O VAL A 88 -7.422 -1.608 6.875 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.747 -3.514 4.147 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.905 -4.633 4.762 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.340 -4.002 2.824 1.00 0.00 C ATOM 0 H VAL A 88 -8.248 -1.566 3.702 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.543 -4.011 5.199 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.116 -2.641 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.092 -4.892 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.491 -4.296 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.531 -5.510 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.534 -4.268 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.965 -4.876 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.944 -3.210 2.382 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.818 -3.692 7.226 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.316 -3.360 8.597 1.00 0.00 C ATOM 1247 C ASN A 89 -4.908 -2.755 8.555 1.00 0.00 C ATOM 1248 O ASN A 89 -4.151 -2.874 9.497 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.294 -4.633 9.445 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.183 -4.442 10.675 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -6.786 -3.811 11.634 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -8.378 -4.966 10.687 1.00 0.00 N ATOM 0 H ASN A 89 -6.717 -4.669 6.951 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.987 -2.620 9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.646 -5.481 8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.273 -4.860 9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.979 -4.846 11.502 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.711 -5.496 9.881 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.553 -2.099 7.492 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.195 -1.481 7.422 1.00 0.00 C ATOM 1261 C GLY A 90 -3.242 -0.232 6.537 1.00 0.00 C ATOM 1262 O GLY A 90 -2.241 0.198 6.002 1.00 0.00 O ATOM 0 H GLY A 90 -5.138 -1.961 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.853 -1.217 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.479 -2.197 7.019 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.404 0.335 6.349 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.504 1.528 5.464 1.00 0.00 C ATOM 1268 C PHE A 91 -4.920 2.807 6.190 1.00 0.00 C ATOM 1269 O PHE A 91 -4.354 3.840 5.914 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.460 1.228 4.338 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.621 0.698 3.222 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.062 -0.572 3.335 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.365 1.484 2.103 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.253 -1.063 2.317 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.558 0.998 1.079 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.000 -0.282 1.183 1.00 0.00 C ATOM 0 H PHE A 91 -5.281 0.025 6.767 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.503 1.723 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.209 0.498 4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.997 2.126 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.256 -1.174 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.793 2.473 2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.819 -2.048 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.363 1.605 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.376 -0.666 0.390 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.844 2.752 7.120 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.232 3.965 7.842 1.00 0.00 C ATOM 1288 C PRO A 92 -5.105 4.350 8.798 1.00 0.00 C ATOM 1289 O PRO A 92 -5.270 5.163 9.686 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.524 3.576 8.564 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.525 2.036 8.649 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.554 1.536 7.561 1.00 0.00 C ATOM 0 HA PRO A 92 -6.398 4.836 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.563 4.020 9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.397 3.936 8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.206 1.702 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.527 1.639 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.862 0.793 7.957 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.089 1.066 6.736 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.941 3.780 8.594 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.784 4.110 9.443 1.00 0.00 C ATOM 1302 C LYS A 93 -1.915 5.102 8.686 1.00 0.00 C ATOM 1303 O LYS A 93 -2.117 5.363 7.501 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.990 2.833 9.733 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.826 3.153 10.672 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.174 1.852 11.144 1.00 0.00 C ATOM 1307 CE LYS A 93 1.029 2.179 12.031 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.735 1.780 13.435 1.00 0.00 N ATOM 0 H LYS A 93 -3.755 3.093 7.863 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.109 4.543 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.640 2.084 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.613 2.408 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.092 3.774 10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.183 3.724 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.895 1.251 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.143 1.259 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.913 1.654 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.250 3.245 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.553 2.002 14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.098 2.300 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.545 0.758 13.473 1.00 0.00 H new ATOM 1322 N THR A 94 -0.966 5.671 9.356 1.00 0.00 N ATOM 1323 CA THR A 94 -0.096 6.657 8.691 1.00 0.00 C ATOM 1324 C THR A 94 1.356 6.240 8.815 1.00 0.00 C ATOM 1325 O THR A 94 1.858 5.999 9.895 1.00 0.00 O ATOM 1326 CB THR A 94 -0.290 8.015 9.355 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.680 8.300 9.444 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.408 9.085 8.523 1.00 0.00 C ATOM 0 H THR A 94 -0.756 5.494 10.338 1.00 0.00 H new ATOM 0 HA THR A 94 -0.358 6.715 7.635 1.00 0.00 H new ATOM 0 HB THR A 94 0.138 8.003 10.357 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.808 9.172 9.872 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.272 10.058 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.472 8.859 8.458 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.021 9.104 7.521 1.00 0.00 H new ATOM 1336 N VAL A 95 2.050 6.184 7.719 1.00 0.00 N ATOM 1337 CA VAL A 95 3.489 5.816 7.798 1.00 0.00 C ATOM 1338 C VAL A 95 4.294 7.114 7.748 1.00 0.00 C ATOM 1339 O VAL A 95 3.806 8.126 7.288 1.00 0.00 O ATOM 1340 CB VAL A 95 3.875 4.860 6.660 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.379 4.894 6.415 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.498 3.436 7.053 1.00 0.00 C ATOM 0 H VAL A 95 1.692 6.374 6.783 1.00 0.00 H new ATOM 0 HA VAL A 95 3.701 5.284 8.725 1.00 0.00 H new ATOM 0 HB VAL A 95 3.349 5.171 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.631 4.210 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.681 5.905 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.902 4.591 7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.770 2.753 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.030 3.156 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.424 3.380 7.230 1.00 0.00 H new ATOM 1352 N THR A 96 5.489 7.132 8.273 1.00 0.00 N ATOM 1353 CA THR A 96 6.234 8.423 8.291 1.00 0.00 C ATOM 1354 C THR A 96 7.584 8.358 7.569 1.00 0.00 C ATOM 1355 O THR A 96 8.331 7.405 7.670 1.00 0.00 O ATOM 1356 CB THR A 96 6.475 8.831 9.746 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.231 9.126 10.366 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.374 10.069 9.788 1.00 0.00 C ATOM 0 H THR A 96 5.972 6.331 8.680 1.00 0.00 H new ATOM 0 HA THR A 96 5.622 9.152 7.760 1.00 0.00 H new ATOM 0 HB THR A 96 6.961 8.013 10.277 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.384 9.386 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.545 10.359 10.825 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.328 9.842 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.890 10.889 9.257 1.00 0.00 H new ATOM 1366 N VAL A 97 7.905 9.432 6.894 1.00 0.00 N ATOM 1367 CA VAL A 97 9.215 9.568 6.193 1.00 0.00 C ATOM 1368 C VAL A 97 9.879 10.848 6.725 1.00 0.00 C ATOM 1369 O VAL A 97 9.207 11.797 7.090 1.00 0.00 O ATOM 1370 CB VAL A 97 9.014 9.651 4.670 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.182 10.376 4.036 1.00 0.00 C ATOM 1372 CG2 VAL A 97 9.011 8.253 4.058 1.00 0.00 C ATOM 0 H VAL A 97 7.294 10.243 6.798 1.00 0.00 H new ATOM 0 HA VAL A 97 9.845 8.699 6.383 1.00 0.00 H new ATOM 0 HB VAL A 97 8.070 10.166 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.034 10.431 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.250 11.384 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.104 9.835 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.868 8.328 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.963 7.763 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.200 7.668 4.492 1.00 0.00 H new ATOM 1382 N LYS A 98 11.183 10.876 6.789 1.00 0.00 N ATOM 1383 CA LYS A 98 11.885 12.075 7.342 1.00 0.00 C ATOM 1384 C LYS A 98 12.284 13.024 6.206 1.00 0.00 C ATOM 1385 O LYS A 98 12.007 12.744 5.057 1.00 0.00 O ATOM 1386 CB LYS A 98 13.129 11.584 8.085 1.00 0.00 C ATOM 1387 CG LYS A 98 13.001 11.914 9.576 1.00 0.00 C ATOM 1388 CD LYS A 98 14.276 11.487 10.306 1.00 0.00 C ATOM 1389 CE LYS A 98 13.903 10.740 11.589 1.00 0.00 C ATOM 1390 NZ LYS A 98 13.033 11.605 12.434 1.00 0.00 N ATOM 0 H LYS A 98 11.795 10.120 6.482 1.00 0.00 H new ATOM 0 HA LYS A 98 11.230 12.622 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.246 10.509 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.021 12.056 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.834 12.983 9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.138 11.401 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.880 10.847 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.882 12.361 10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.384 9.813 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.804 10.466 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.159 11.352 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.294 12.602 12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.038 11.466 12.164 1.00 0.00 H new ATOM 1404 N PRO A 99 12.903 14.137 6.554 1.00 0.00 N ATOM 1405 CA PRO A 99 13.299 15.146 5.557 1.00 0.00 C ATOM 1406 C PRO A 99 14.369 14.595 4.624 1.00 0.00 C ATOM 1407 O PRO A 99 15.548 14.843 4.777 1.00 0.00 O ATOM 1408 CB PRO A 99 13.784 16.334 6.394 1.00 0.00 C ATOM 1409 CG PRO A 99 14.127 15.768 7.787 1.00 0.00 C ATOM 1410 CD PRO A 99 13.296 14.478 7.942 1.00 0.00 C ATOM 0 HA PRO A 99 12.485 15.441 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.657 16.801 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.013 17.101 6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.193 15.557 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.882 16.486 8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.880 13.679 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.424 14.638 8.576 1.00 0.00 H new ATOM 1418 N ALA A 100 13.921 13.847 3.654 1.00 0.00 N ATOM 1419 CA ALA A 100 14.818 13.228 2.645 1.00 0.00 C ATOM 1420 C ALA A 100 16.056 14.101 2.416 1.00 0.00 C ATOM 1421 O ALA A 100 16.048 14.977 1.574 1.00 0.00 O ATOM 1422 CB ALA A 100 14.031 13.094 1.344 1.00 0.00 C ATOM 0 H ALA A 100 12.933 13.634 3.517 1.00 0.00 H new ATOM 0 HA ALA A 100 15.156 12.253 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.664 12.641 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.157 12.464 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.709 14.080 1.010 1.00 0.00 H new TER 1428 ALA A 100