USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot 180:sc= 0.00498 USER MOD Set 1.2: A 93 SER OG : rot 83:sc= 1.03 USER MOD Set 2.1: A 83 ASN : amide:sc= -2.34! C(o=-1.2!,f=-1.9!) USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0.284 USER MOD Set 2.3: A 98 SER OG : rot 92:sc= 0.831 USER MOD Set 3.1: A 73 SER OG : rot -71:sc= -2.02! USER MOD Set 3.2: A 82 HIS : no HE2:sc= -3.56! C(o=-5.6!,f=-8.4!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.0706 F(o=-0.74,f=0.071) USER MOD Single : A 19 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.2) USER MOD Single : A 29 SER OG : rot 103:sc= 0.656 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00669 USER MOD Single : A 33 TYR OH : rot 13:sc= -2.29! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.57 F(o=-2.5!,f=-1.6) USER MOD Single : A 37 SER OG : rot 37:sc= 0.0969 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.24! C(o=-8.5!,f=-7.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 24:sc= -0.0575 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.78 X(o=-2.8,f=-2.6!) USER MOD Single : A 68 SER OG : rot 46:sc= -0.148 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.43) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.15) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -114:sc= -2 USER MOD Single : A 100 ASN : amide:sc= -3.84 K(o=-3.8,f=-12!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 109 SER OG : rot -150:sc= -6.16! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.473 -6.049 1.166 1.00 0.00 N ATOM 26 CA ARG A 8 29.258 -5.565 0.524 1.00 0.00 C ATOM 27 C ARG A 8 28.936 -4.129 0.941 1.00 0.00 C ATOM 28 O ARG A 8 29.795 -3.414 1.456 1.00 0.00 O ATOM 29 CB ARG A 8 28.089 -6.487 0.866 1.00 0.00 C ATOM 30 CG ARG A 8 28.486 -7.940 1.095 1.00 0.00 C ATOM 31 CD ARG A 8 27.569 -8.895 0.348 1.00 0.00 C ATOM 32 NE ARG A 8 28.291 -10.052 -0.173 1.00 0.00 N ATOM 33 CZ ARG A 8 28.665 -11.085 0.575 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.319 -12.100 0.029 1.00 0.00 N ATOM 35 NH2 ARG A 8 28.385 -11.103 1.871 1.00 0.00 N ATOM 0 HA ARG A 8 29.421 -5.569 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.595 -6.112 1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.359 -6.445 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.515 -8.092 0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 8 28.454 -8.163 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.776 -9.233 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.089 -8.367 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 8 28.521 -10.069 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 8 29.536 -12.090 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 8 29.605 -12.892 0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.882 -10.323 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.673 -11.896 2.444 1.00 0.00 H new ATOM 49 N CYS A 9 27.694 -3.721 0.719 1.00 0.00 N ATOM 50 CA CYS A 9 27.248 -2.382 1.079 1.00 0.00 C ATOM 51 C CYS A 9 26.753 -2.350 2.520 1.00 0.00 C ATOM 52 O CYS A 9 26.477 -3.393 3.113 1.00 0.00 O ATOM 53 CB CYS A 9 26.138 -1.930 0.132 1.00 0.00 C ATOM 54 SG CYS A 9 26.742 -1.184 -1.417 1.00 0.00 S ATOM 0 H CYS A 9 26.974 -4.302 0.289 1.00 0.00 H new ATOM 0 HA CYS A 9 28.093 -1.699 0.990 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.510 -2.787 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.506 -1.208 0.648 1.00 0.00 H new ATOM 59 N PRO A 10 26.654 -1.150 3.114 1.00 0.00 N ATOM 60 CA PRO A 10 26.180 -0.996 4.488 1.00 0.00 C ATOM 61 C PRO A 10 24.693 -1.293 4.602 1.00 0.00 C ATOM 62 O PRO A 10 24.002 -1.431 3.592 1.00 0.00 O ATOM 63 CB PRO A 10 26.469 0.468 4.804 1.00 0.00 C ATOM 64 CG PRO A 10 26.438 1.148 3.482 1.00 0.00 C ATOM 65 CD PRO A 10 26.952 0.147 2.482 1.00 0.00 C ATOM 0 HA PRO A 10 26.666 -1.686 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.722 0.883 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.439 0.586 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.426 1.464 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.059 2.044 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.453 0.249 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.020 0.271 2.302 1.00 0.00 H new ATOM 73 N SER A 11 24.200 -1.400 5.830 1.00 0.00 N ATOM 74 CA SER A 11 22.795 -1.696 6.052 1.00 0.00 C ATOM 75 C SER A 11 21.903 -0.758 5.242 1.00 0.00 C ATOM 76 O SER A 11 21.855 0.444 5.506 1.00 0.00 O ATOM 77 CB SER A 11 22.454 -1.586 7.535 1.00 0.00 C ATOM 78 OG SER A 11 23.600 -1.799 8.341 1.00 0.00 O ATOM 0 H SER A 11 24.751 -1.287 6.681 1.00 0.00 H new ATOM 0 HA SER A 11 22.612 -2.718 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.038 -0.600 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.686 -2.317 7.790 1.00 0.00 H new ATOM 0 HG SER A 11 23.354 -1.721 9.286 1.00 0.00 H new ATOM 84 N PRO A 12 21.197 -1.289 4.230 1.00 0.00 N ATOM 85 CA PRO A 12 20.308 -0.489 3.387 1.00 0.00 C ATOM 86 C PRO A 12 19.126 0.064 4.169 1.00 0.00 C ATOM 87 O PRO A 12 18.755 -0.471 5.213 1.00 0.00 O ATOM 88 CB PRO A 12 19.825 -1.481 2.326 1.00 0.00 C ATOM 89 CG PRO A 12 19.986 -2.819 2.956 1.00 0.00 C ATOM 90 CD PRO A 12 21.187 -2.711 3.843 1.00 0.00 C ATOM 0 HA PRO A 12 20.816 0.381 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.786 -1.294 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.414 -1.401 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.100 -3.090 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.126 -3.592 2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.105 -3.364 4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.101 -2.992 3.319 1.00 0.00 H new ATOM 98 N ARG A 13 18.538 1.138 3.659 1.00 0.00 N ATOM 99 CA ARG A 13 17.377 1.743 4.301 1.00 0.00 C ATOM 100 C ARG A 13 16.297 0.696 4.512 1.00 0.00 C ATOM 101 O ARG A 13 16.478 -0.468 4.161 1.00 0.00 O ATOM 102 CB ARG A 13 16.835 2.902 3.463 1.00 0.00 C ATOM 103 CG ARG A 13 16.204 4.007 4.293 1.00 0.00 C ATOM 104 CD ARG A 13 16.439 5.374 3.672 1.00 0.00 C ATOM 105 NE ARG A 13 16.082 6.457 4.583 1.00 0.00 N ATOM 106 CZ ARG A 13 16.234 7.745 4.291 1.00 0.00 C ATOM 107 NH1 ARG A 13 15.885 8.673 5.172 1.00 0.00 N ATOM 108 NH2 ARG A 13 16.735 8.105 3.118 1.00 0.00 N ATOM 0 H ARG A 13 18.844 1.607 2.806 1.00 0.00 H new ATOM 0 HA ARG A 13 17.684 2.138 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.647 3.322 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.095 2.518 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.133 3.828 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.618 3.988 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.488 5.469 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.853 5.462 2.757 1.00 0.00 H new ATOM 0 HE ARG A 13 15.694 6.212 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.499 8.399 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.002 9.661 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.004 7.394 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.851 9.093 2.895 1.00 0.00 H new ATOM 122 N ASP A 14 15.178 1.109 5.084 1.00 0.00 N ATOM 123 CA ASP A 14 14.097 0.176 5.379 1.00 0.00 C ATOM 124 C ASP A 14 12.707 0.767 5.128 1.00 0.00 C ATOM 125 O ASP A 14 11.706 0.080 5.315 1.00 0.00 O ATOM 126 CB ASP A 14 14.197 -0.247 6.836 1.00 0.00 C ATOM 127 CG ASP A 14 14.636 -1.689 6.997 1.00 0.00 C ATOM 128 OD1 ASP A 14 14.218 -2.531 6.175 1.00 0.00 O ATOM 129 OD2 ASP A 14 15.400 -1.975 7.942 1.00 0.00 O ATOM 0 H ASP A 14 14.993 2.075 5.352 1.00 0.00 H new ATOM 0 HA ASP A 14 14.211 -0.674 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.904 0.403 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.229 -0.110 7.317 1.00 0.00 H new ATOM 134 N ILE A 15 12.653 2.042 4.749 1.00 0.00 N ATOM 135 CA ILE A 15 11.388 2.747 4.529 1.00 0.00 C ATOM 136 C ILE A 15 10.501 2.688 5.773 1.00 0.00 C ATOM 137 O ILE A 15 10.668 1.817 6.626 1.00 0.00 O ATOM 138 CB ILE A 15 10.622 2.238 3.284 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.564 3.262 2.877 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.974 0.878 3.516 1.00 0.00 C ATOM 141 CD1 ILE A 15 9.014 3.041 1.486 1.00 0.00 C ATOM 0 H ILE A 15 13.481 2.616 4.586 1.00 0.00 H new ATOM 0 HA ILE A 15 11.647 3.788 4.333 1.00 0.00 H new ATOM 0 HB ILE A 15 11.348 2.113 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.743 3.229 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.996 4.261 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.449 0.566 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.743 0.145 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.265 0.949 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.268 3.804 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.825 3.104 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.552 2.055 1.430 1.00 0.00 H new ATOM 153 N ASP A 16 9.594 3.651 5.898 1.00 0.00 N ATOM 154 CA ASP A 16 8.739 3.744 7.077 1.00 0.00 C ATOM 155 C ASP A 16 7.460 2.928 6.930 1.00 0.00 C ATOM 156 O ASP A 16 7.217 1.997 7.699 1.00 0.00 O ATOM 157 CB ASP A 16 8.388 5.207 7.359 1.00 0.00 C ATOM 158 CG ASP A 16 9.611 6.045 7.675 1.00 0.00 C ATOM 159 OD1 ASP A 16 10.739 5.554 7.458 1.00 0.00 O ATOM 160 OD2 ASP A 16 9.441 7.191 8.142 1.00 0.00 O ATOM 0 H ASP A 16 9.432 4.377 5.200 1.00 0.00 H new ATOM 0 HA ASP A 16 9.300 3.329 7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.876 5.628 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.692 5.256 8.196 1.00 0.00 H new ATOM 165 N ASN A 17 6.628 3.300 5.965 1.00 0.00 N ATOM 166 CA ASN A 17 5.350 2.626 5.757 1.00 0.00 C ATOM 167 C ASN A 17 5.475 1.495 4.742 1.00 0.00 C ATOM 168 O ASN A 17 4.498 1.123 4.092 1.00 0.00 O ATOM 169 CB ASN A 17 4.285 3.625 5.288 1.00 0.00 C ATOM 170 CG ASN A 17 4.480 5.010 5.873 1.00 0.00 C ATOM 171 OD1 ASN A 17 5.369 5.786 5.263 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.847 5.375 6.863 1.00 0.00 N flip ATOM 0 H ASN A 17 6.814 4.063 5.314 1.00 0.00 H new ATOM 0 HA ASN A 17 5.047 2.198 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.307 3.689 4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.298 3.254 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.174 4.745 7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.995 6.308 7.248 1.00 0.00 H new ATOM 179 N GLY A 18 6.675 0.942 4.618 1.00 0.00 N ATOM 180 CA GLY A 18 6.893 -0.141 3.678 1.00 0.00 C ATOM 181 C GLY A 18 7.945 -1.129 4.147 1.00 0.00 C ATOM 182 O GLY A 18 8.545 -0.955 5.208 1.00 0.00 O ATOM 0 H GLY A 18 7.499 1.223 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.953 -0.669 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.195 0.275 2.717 1.00 0.00 H new ATOM 186 N GLN A 19 8.160 -2.174 3.353 1.00 0.00 N ATOM 187 CA GLN A 19 9.150 -3.199 3.668 1.00 0.00 C ATOM 188 C GLN A 19 9.925 -3.577 2.413 1.00 0.00 C ATOM 189 O GLN A 19 9.348 -3.693 1.332 1.00 0.00 O ATOM 190 CB GLN A 19 8.479 -4.447 4.257 1.00 0.00 C ATOM 191 CG GLN A 19 7.146 -4.174 4.939 1.00 0.00 C ATOM 192 CD GLN A 19 6.924 -5.048 6.157 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.796 -5.166 7.018 1.00 0.00 O ATOM 194 NE2 GLN A 19 5.753 -5.670 6.235 1.00 0.00 N ATOM 0 H GLN A 19 7.657 -2.334 2.480 1.00 0.00 H new ATOM 0 HA GLN A 19 9.837 -2.792 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.324 -5.174 3.459 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.157 -4.904 4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.102 -3.126 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.337 -4.338 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.059 -5.544 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.548 -6.274 7.031 1.00 0.00 H new ATOM 203 N LEU A 20 11.232 -3.761 2.552 1.00 0.00 N ATOM 204 CA LEU A 20 12.069 -4.091 1.406 1.00 0.00 C ATOM 205 C LEU A 20 12.263 -5.597 1.270 1.00 0.00 C ATOM 206 O LEU A 20 11.866 -6.374 2.138 1.00 0.00 O ATOM 207 CB LEU A 20 13.441 -3.417 1.493 1.00 0.00 C ATOM 208 CG LEU A 20 13.623 -2.356 2.577 1.00 0.00 C ATOM 209 CD1 LEU A 20 14.947 -1.660 2.363 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.496 -1.338 2.565 1.00 0.00 C ATOM 0 H LEU A 20 11.732 -3.688 3.438 1.00 0.00 H new ATOM 0 HA LEU A 20 11.545 -3.716 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.191 -4.193 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.654 -2.956 0.528 1.00 0.00 H new ATOM 0 HG LEU A 20 13.606 -2.850 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.087 -0.900 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.755 -2.389 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.955 -1.188 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.663 -0.601 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.469 -0.837 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.546 -1.844 2.738 1.00 0.00 H new ATOM 222 N ASP A 21 12.917 -5.986 0.183 1.00 0.00 N ATOM 223 CA ASP A 21 13.232 -7.382 -0.080 1.00 0.00 C ATOM 224 C ASP A 21 14.692 -7.505 -0.504 1.00 0.00 C ATOM 225 O ASP A 21 15.014 -7.406 -1.689 1.00 0.00 O ATOM 226 CB ASP A 21 12.316 -7.941 -1.170 1.00 0.00 C ATOM 227 CG ASP A 21 12.006 -9.412 -0.970 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.210 -9.964 -1.759 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.560 -10.013 -0.026 1.00 0.00 O ATOM 0 H ASP A 21 13.243 -5.343 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 21 13.072 -7.959 0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.384 -7.375 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.787 -7.801 -2.143 1.00 0.00 H new ATOM 234 N ILE A 22 15.575 -7.661 0.479 1.00 0.00 N ATOM 235 CA ILE A 22 17.009 -7.734 0.217 1.00 0.00 C ATOM 236 C ILE A 22 17.403 -9.044 -0.451 1.00 0.00 C ATOM 237 O ILE A 22 17.298 -10.118 0.141 1.00 0.00 O ATOM 238 CB ILE A 22 17.832 -7.569 1.509 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.440 -6.277 2.229 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.321 -7.570 1.191 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.122 -6.101 3.567 1.00 0.00 C ATOM 0 H ILE A 22 15.322 -7.739 1.464 1.00 0.00 H new ATOM 0 HA ILE A 22 17.231 -6.910 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 22 17.618 -8.410 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.683 -5.427 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.360 -6.266 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.890 -7.453 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.591 -8.513 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.549 -6.745 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.797 -5.164 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.859 -6.932 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.202 -6.080 3.425 1.00 0.00 H new ATOM 253 N GLY A 23 17.895 -8.935 -1.680 1.00 0.00 N ATOM 254 CA GLY A 23 18.367 -10.099 -2.404 1.00 0.00 C ATOM 255 C GLY A 23 19.819 -9.948 -2.823 1.00 0.00 C ATOM 256 O GLY A 23 20.290 -10.640 -3.726 1.00 0.00 O ATOM 0 H GLY A 23 17.975 -8.055 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.259 -10.985 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.747 -10.254 -3.287 1.00 0.00 H new ATOM 260 N GLY A 24 20.525 -9.031 -2.164 1.00 0.00 N ATOM 261 CA GLY A 24 21.918 -8.780 -2.482 1.00 0.00 C ATOM 262 C GLY A 24 22.366 -7.420 -1.985 1.00 0.00 C ATOM 263 O GLY A 24 21.671 -6.424 -2.189 1.00 0.00 O ATOM 0 H GLY A 24 20.152 -8.454 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.540 -9.555 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.062 -8.840 -3.561 1.00 0.00 H new ATOM 267 N VAL A 25 23.509 -7.373 -1.309 1.00 0.00 N ATOM 268 CA VAL A 25 24.007 -6.118 -0.758 1.00 0.00 C ATOM 269 C VAL A 25 25.419 -5.789 -1.239 1.00 0.00 C ATOM 270 O VAL A 25 26.011 -4.808 -0.796 1.00 0.00 O ATOM 271 CB VAL A 25 23.999 -6.140 0.782 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.579 -6.012 1.310 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.657 -7.407 1.302 1.00 0.00 C ATOM 0 H VAL A 25 24.104 -8.182 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 25 23.329 -5.344 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 25 24.574 -5.287 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.593 -6.029 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.147 -5.072 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.978 -6.843 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.642 -7.404 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.113 -8.277 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.689 -7.450 0.954 1.00 0.00 H new ATOM 283 N ASP A 26 25.956 -6.593 -2.151 1.00 0.00 N ATOM 284 CA ASP A 26 27.297 -6.350 -2.669 1.00 0.00 C ATOM 285 C ASP A 26 27.291 -5.219 -3.689 1.00 0.00 C ATOM 286 O ASP A 26 26.240 -4.828 -4.197 1.00 0.00 O ATOM 287 CB ASP A 26 27.869 -7.617 -3.300 1.00 0.00 C ATOM 288 CG ASP A 26 29.333 -7.479 -3.669 1.00 0.00 C ATOM 289 OD1 ASP A 26 30.061 -6.763 -2.949 1.00 0.00 O ATOM 290 OD2 ASP A 26 29.751 -8.087 -4.676 1.00 0.00 O ATOM 0 H ASP A 26 25.489 -7.410 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 26 27.929 -6.057 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.751 -8.449 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.295 -7.864 -4.193 1.00 0.00 H new ATOM 295 N PHE A 27 28.476 -4.703 -3.982 1.00 0.00 N ATOM 296 CA PHE A 27 28.629 -3.607 -4.932 1.00 0.00 C ATOM 297 C PHE A 27 28.047 -3.971 -6.291 1.00 0.00 C ATOM 298 O PHE A 27 28.667 -4.692 -7.073 1.00 0.00 O ATOM 299 CB PHE A 27 30.107 -3.241 -5.078 1.00 0.00 C ATOM 300 CG PHE A 27 30.357 -2.014 -5.910 1.00 0.00 C ATOM 301 CD1 PHE A 27 29.422 -0.991 -5.975 1.00 0.00 C ATOM 302 CD2 PHE A 27 31.542 -1.878 -6.617 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.663 0.139 -6.737 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.786 -0.752 -7.379 1.00 0.00 C ATOM 305 CZ PHE A 27 30.846 0.257 -7.439 1.00 0.00 C ATOM 0 H PHE A 27 29.352 -5.028 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 27 28.081 -2.747 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.532 -3.087 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 27 30.636 -4.083 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 27 28.496 -1.077 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 27 32.283 -2.662 -6.571 1.00 0.00 H new ATOM 0 HE1 PHE A 27 28.926 0.928 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.712 -0.661 -7.928 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.036 1.138 -8.034 1.00 0.00 H new ATOM 315 N GLY A 28 26.853 -3.461 -6.568 1.00 0.00 N ATOM 316 CA GLY A 28 26.206 -3.732 -7.836 1.00 0.00 C ATOM 317 C GLY A 28 24.919 -4.528 -7.687 1.00 0.00 C ATOM 318 O GLY A 28 24.337 -4.960 -8.682 1.00 0.00 O ATOM 0 H GLY A 28 26.321 -2.864 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.987 -2.788 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.894 -4.281 -8.479 1.00 0.00 H new ATOM 322 N SER A 29 24.475 -4.730 -6.448 1.00 0.00 N ATOM 323 CA SER A 29 23.249 -5.475 -6.190 1.00 0.00 C ATOM 324 C SER A 29 22.043 -4.543 -6.197 1.00 0.00 C ATOM 325 O SER A 29 22.148 -3.382 -6.593 1.00 0.00 O ATOM 326 CB SER A 29 23.341 -6.201 -4.847 1.00 0.00 C ATOM 327 OG SER A 29 23.135 -5.305 -3.768 1.00 0.00 O ATOM 0 H SER A 29 24.946 -4.388 -5.610 1.00 0.00 H new ATOM 0 HA SER A 29 23.124 -6.212 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.598 -6.998 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.319 -6.672 -4.751 1.00 0.00 H new ATOM 0 HG SER A 29 22.226 -5.417 -3.419 1.00 0.00 H new ATOM 333 N SER A 30 20.897 -5.053 -5.756 1.00 0.00 N ATOM 334 CA SER A 30 19.679 -4.254 -5.717 1.00 0.00 C ATOM 335 C SER A 30 18.653 -4.850 -4.758 1.00 0.00 C ATOM 336 O SER A 30 18.617 -6.062 -4.542 1.00 0.00 O ATOM 337 CB SER A 30 19.075 -4.139 -7.119 1.00 0.00 C ATOM 338 OG SER A 30 19.310 -5.314 -7.875 1.00 0.00 O ATOM 0 H SER A 30 20.787 -6.011 -5.423 1.00 0.00 H new ATOM 0 HA SER A 30 19.945 -3.261 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.002 -3.961 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.505 -3.280 -7.634 1.00 0.00 H new ATOM 0 HG SER A 30 18.913 -5.215 -8.765 1.00 0.00 H new ATOM 344 N ILE A 31 17.816 -3.986 -4.192 1.00 0.00 N ATOM 345 CA ILE A 31 16.777 -4.416 -3.257 1.00 0.00 C ATOM 346 C ILE A 31 15.392 -4.135 -3.832 1.00 0.00 C ATOM 347 O ILE A 31 15.261 -3.436 -4.836 1.00 0.00 O ATOM 348 CB ILE A 31 16.891 -3.709 -1.884 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.307 -3.186 -1.638 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.496 -4.656 -0.769 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.419 -2.302 -0.415 1.00 0.00 C ATOM 0 H ILE A 31 17.836 -2.981 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 31 16.919 -5.487 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 31 16.210 -2.858 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.985 -4.033 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.636 -2.626 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.581 -4.145 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.466 -4.982 -0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.156 -5.523 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.450 -1.967 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.767 -1.436 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.121 -2.865 0.469 1.00 0.00 H new ATOM 363 N THR A 32 14.359 -4.663 -3.182 1.00 0.00 N ATOM 364 CA THR A 32 12.989 -4.446 -3.633 1.00 0.00 C ATOM 365 C THR A 32 12.138 -3.824 -2.531 1.00 0.00 C ATOM 366 O THR A 32 11.860 -4.456 -1.514 1.00 0.00 O ATOM 367 CB THR A 32 12.364 -5.760 -4.096 1.00 0.00 C ATOM 368 OG1 THR A 32 13.368 -6.721 -4.374 1.00 0.00 O ATOM 369 CG2 THR A 32 11.515 -5.605 -5.337 1.00 0.00 C ATOM 0 H THR A 32 14.444 -5.241 -2.346 1.00 0.00 H new ATOM 0 HA THR A 32 13.021 -3.752 -4.473 1.00 0.00 H new ATOM 0 HB THR A 32 11.725 -6.087 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.949 -7.557 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.099 -6.573 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.704 -4.905 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.130 -5.225 -6.153 1.00 0.00 H new ATOM 377 N TYR A 33 11.717 -2.583 -2.749 1.00 0.00 N ATOM 378 CA TYR A 33 10.911 -1.862 -1.772 1.00 0.00 C ATOM 379 C TYR A 33 9.424 -2.110 -1.976 1.00 0.00 C ATOM 380 O TYR A 33 8.936 -2.168 -3.104 1.00 0.00 O ATOM 381 CB TYR A 33 11.204 -0.366 -1.852 1.00 0.00 C ATOM 382 CG TYR A 33 12.402 0.029 -1.032 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.680 -0.325 -1.436 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.253 0.702 0.170 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.784 0.009 -0.678 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.351 1.042 0.936 1.00 0.00 C ATOM 387 CZ TYR A 33 14.615 0.691 0.507 1.00 0.00 C ATOM 388 OH TYR A 33 15.711 1.021 1.266 1.00 0.00 O ATOM 0 H TYR A 33 11.922 -2.054 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 33 11.179 -2.234 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.371 -0.086 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.332 0.191 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.814 -0.871 -2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.263 0.965 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.775 -0.263 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 33 13.221 1.579 1.864 1.00 0.00 H new ATOM 0 HH TYR A 33 16.526 0.890 0.738 1.00 0.00 H new ATOM 398 N SER A 34 8.712 -2.240 -0.865 1.00 0.00 N ATOM 399 CA SER A 34 7.273 -2.463 -0.894 1.00 0.00 C ATOM 400 C SER A 34 6.606 -1.755 0.280 1.00 0.00 C ATOM 401 O SER A 34 7.284 -1.250 1.173 1.00 0.00 O ATOM 402 CB SER A 34 6.965 -3.961 -0.848 1.00 0.00 C ATOM 403 OG SER A 34 5.807 -4.267 -1.604 1.00 0.00 O ATOM 0 H SER A 34 9.110 -2.195 0.073 1.00 0.00 H new ATOM 0 HA SER A 34 6.877 -2.053 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.815 -4.522 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.821 -4.274 0.186 1.00 0.00 H new ATOM 0 HG SER A 34 5.633 -5.230 -1.560 1.00 0.00 H new ATOM 409 N CYS A 35 5.279 -1.713 0.273 1.00 0.00 N ATOM 410 CA CYS A 35 4.539 -1.061 1.343 1.00 0.00 C ATOM 411 C CYS A 35 4.237 -2.041 2.471 1.00 0.00 C ATOM 412 O CYS A 35 4.385 -3.253 2.308 1.00 0.00 O ATOM 413 CB CYS A 35 3.240 -0.467 0.800 1.00 0.00 C ATOM 414 SG CYS A 35 3.393 1.257 0.231 1.00 0.00 S ATOM 0 H CYS A 35 4.697 -2.121 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 35 5.157 -0.257 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.890 -1.082 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.478 -0.516 1.577 1.00 0.00 H new ATOM 419 N ASN A 36 3.824 -1.511 3.617 1.00 0.00 N ATOM 420 CA ASN A 36 3.515 -2.342 4.774 1.00 0.00 C ATOM 421 C ASN A 36 2.324 -3.254 4.491 1.00 0.00 C ATOM 422 O ASN A 36 2.494 -4.413 4.115 1.00 0.00 O ATOM 423 CB ASN A 36 3.228 -1.465 5.995 1.00 0.00 C ATOM 424 CG ASN A 36 4.475 -1.188 6.811 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.607 0.042 7.293 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 5.312 -2.069 7.005 1.00 0.00 N flip ATOM 0 H ASN A 36 3.696 -0.511 3.769 1.00 0.00 H new ATOM 0 HA ASN A 36 4.382 -2.968 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.794 -0.520 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.486 -1.955 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.171 -3.001 6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.147 -1.867 7.555 1.00 0.00 H new ATOM 433 N SER A 37 1.119 -2.724 4.676 1.00 0.00 N ATOM 434 CA SER A 37 -0.098 -3.490 4.436 1.00 0.00 C ATOM 435 C SER A 37 -1.260 -2.566 4.089 1.00 0.00 C ATOM 436 O SER A 37 -1.471 -1.545 4.744 1.00 0.00 O ATOM 437 CB SER A 37 -0.448 -4.330 5.667 1.00 0.00 C ATOM 438 OG SER A 37 0.035 -5.656 5.534 1.00 0.00 O ATOM 0 H SER A 37 0.960 -1.767 4.991 1.00 0.00 H new ATOM 0 HA SER A 37 0.080 -4.155 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.019 -3.871 6.558 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.529 -4.346 5.805 1.00 0.00 H new ATOM 0 HG SER A 37 0.900 -5.645 5.073 1.00 0.00 H new ATOM 444 N GLY A 38 -2.006 -2.926 3.050 1.00 0.00 N ATOM 445 CA GLY A 38 -3.125 -2.106 2.626 1.00 0.00 C ATOM 446 C GLY A 38 -2.680 -0.740 2.143 1.00 0.00 C ATOM 447 O GLY A 38 -3.454 0.217 2.160 1.00 0.00 O ATOM 0 H GLY A 38 -1.856 -3.769 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.664 -2.615 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.822 -1.987 3.456 1.00 0.00 H new ATOM 451 N TYR A 39 -1.425 -0.652 1.716 1.00 0.00 N ATOM 452 CA TYR A 39 -0.866 0.605 1.234 1.00 0.00 C ATOM 453 C TYR A 39 -0.498 0.509 -0.242 1.00 0.00 C ATOM 454 O TYR A 39 -0.565 -0.565 -0.840 1.00 0.00 O ATOM 455 CB TYR A 39 0.380 0.966 2.045 1.00 0.00 C ATOM 456 CG TYR A 39 0.102 1.842 3.244 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.005 2.824 3.629 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.054 1.681 3.997 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.761 3.627 4.727 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.304 2.479 5.098 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.394 3.451 5.457 1.00 0.00 C ATOM 462 OH TYR A 39 -0.641 4.249 6.551 1.00 0.00 O ATOM 0 H TYR A 39 -0.775 -1.438 1.694 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.622 1.380 1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.859 0.047 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.090 1.475 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.913 2.963 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.769 0.921 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.472 4.389 5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.207 2.342 5.674 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.498 3.996 6.954 1.00 0.00 H new ATOM 472 N HIS A 40 -0.088 1.635 -0.818 1.00 0.00 N ATOM 473 CA HIS A 40 0.331 1.669 -2.213 1.00 0.00 C ATOM 474 C HIS A 40 1.592 2.515 -2.371 1.00 0.00 C ATOM 475 O HIS A 40 1.572 3.726 -2.153 1.00 0.00 O ATOM 476 CB HIS A 40 -0.798 2.197 -3.109 1.00 0.00 C ATOM 477 CG HIS A 40 -0.953 3.689 -3.099 1.00 0.00 C ATOM 478 ND1 HIS A 40 -0.997 4.570 -2.072 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.090 4.439 -4.249 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.156 5.821 -2.615 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.209 5.715 -3.930 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.037 2.535 -0.340 1.00 0.00 H new ATOM 0 HA HIS A 40 0.560 0.651 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.616 1.870 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.738 1.744 -2.793 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.925 4.346 -1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.099 4.044 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.226 6.743 -2.057 1.00 0.00 H new ATOM 490 N LEU A 41 2.693 1.858 -2.717 1.00 0.00 N ATOM 491 CA LEU A 41 3.971 2.537 -2.890 1.00 0.00 C ATOM 492 C LEU A 41 4.017 3.269 -4.223 1.00 0.00 C ATOM 493 O LEU A 41 3.692 2.701 -5.266 1.00 0.00 O ATOM 494 CB LEU A 41 5.120 1.527 -2.806 1.00 0.00 C ATOM 495 CG LEU A 41 6.489 2.063 -3.230 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.602 1.285 -2.543 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.642 1.996 -4.741 1.00 0.00 C ATOM 0 H LEU A 41 2.726 0.852 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 41 4.081 3.270 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.191 1.165 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.874 0.668 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 41 6.561 3.107 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.569 1.680 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.502 1.385 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.533 0.232 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.621 2.381 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.550 0.961 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.865 2.598 -5.212 1.00 0.00 H new ATOM 509 N ILE A 42 4.414 4.536 -4.184 1.00 0.00 N ATOM 510 CA ILE A 42 4.497 5.341 -5.396 1.00 0.00 C ATOM 511 C ILE A 42 5.947 5.536 -5.819 1.00 0.00 C ATOM 512 O ILE A 42 6.860 5.473 -4.995 1.00 0.00 O ATOM 513 CB ILE A 42 3.830 6.723 -5.226 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.651 6.641 -4.253 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.364 7.244 -6.575 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.627 5.600 -4.643 1.00 0.00 C ATOM 0 H ILE A 42 4.682 5.026 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 42 3.958 4.793 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 42 4.565 7.414 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.027 6.415 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.166 7.615 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.895 8.219 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.220 7.339 -7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.643 6.548 -7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.818 5.593 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.224 5.837 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.099 4.618 -4.671 1.00 0.00 H new ATOM 528 N GLY A 43 6.151 5.761 -7.110 1.00 0.00 N ATOM 529 CA GLY A 43 7.495 5.947 -7.626 1.00 0.00 C ATOM 530 C GLY A 43 8.203 4.629 -7.874 1.00 0.00 C ATOM 531 O GLY A 43 7.603 3.683 -8.384 1.00 0.00 O ATOM 0 H GLY A 43 5.411 5.818 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.450 6.513 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.074 6.541 -6.919 1.00 0.00 H new ATOM 535 N GLU A 44 9.479 4.562 -7.506 1.00 0.00 N ATOM 536 CA GLU A 44 10.260 3.346 -7.686 1.00 0.00 C ATOM 537 C GLU A 44 9.962 2.340 -6.583 1.00 0.00 C ATOM 538 O GLU A 44 9.102 2.569 -5.733 1.00 0.00 O ATOM 539 CB GLU A 44 11.752 3.668 -7.688 1.00 0.00 C ATOM 540 CG GLU A 44 12.190 4.490 -6.491 1.00 0.00 C ATOM 541 CD GLU A 44 12.945 5.743 -6.887 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.825 6.760 -6.173 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.657 5.707 -7.913 1.00 0.00 O ATOM 0 H GLU A 44 9.992 5.335 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 44 9.982 2.910 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.318 2.736 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.999 4.209 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.313 4.768 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.822 3.878 -5.847 1.00 0.00 H new ATOM 550 N SER A 45 10.708 1.244 -6.584 1.00 0.00 N ATOM 551 CA SER A 45 10.527 0.194 -5.607 1.00 0.00 C ATOM 552 C SER A 45 11.760 -0.687 -5.518 1.00 0.00 C ATOM 553 O SER A 45 11.668 -1.857 -5.151 1.00 0.00 O ATOM 554 CB SER A 45 9.338 -0.659 -6.005 1.00 0.00 C ATOM 555 OG SER A 45 9.344 -0.929 -7.395 1.00 0.00 O ATOM 0 H SER A 45 11.450 1.064 -7.260 1.00 0.00 H new ATOM 0 HA SER A 45 10.357 0.655 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.358 -1.597 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.414 -0.148 -5.735 1.00 0.00 H new ATOM 0 HG SER A 45 8.568 -1.482 -7.624 1.00 0.00 H new ATOM 561 N LYS A 46 12.908 -0.135 -5.871 1.00 0.00 N ATOM 562 CA LYS A 46 14.142 -0.906 -5.851 1.00 0.00 C ATOM 563 C LYS A 46 15.369 -0.025 -5.619 1.00 0.00 C ATOM 564 O LYS A 46 15.550 0.997 -6.280 1.00 0.00 O ATOM 565 CB LYS A 46 14.294 -1.668 -7.167 1.00 0.00 C ATOM 566 CG LYS A 46 13.693 -3.063 -7.138 1.00 0.00 C ATOM 567 CD LYS A 46 12.923 -3.366 -8.413 1.00 0.00 C ATOM 568 CE LYS A 46 13.794 -4.080 -9.432 1.00 0.00 C ATOM 569 NZ LYS A 46 12.987 -4.917 -10.363 1.00 0.00 N ATOM 0 H LYS A 46 13.013 0.834 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 46 14.079 -1.606 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.822 -1.095 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.353 -1.743 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.486 -3.799 -7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.028 -3.156 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.056 -3.983 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.546 -2.437 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.361 -3.345 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.518 -4.709 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.618 -5.387 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.465 -5.635 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.313 -4.314 -10.877 1.00 0.00 H new ATOM 583 N SER A 47 16.221 -0.454 -4.691 1.00 0.00 N ATOM 584 CA SER A 47 17.468 0.246 -4.394 1.00 0.00 C ATOM 585 C SER A 47 18.613 -0.404 -5.147 1.00 0.00 C ATOM 586 O SER A 47 18.561 -1.598 -5.434 1.00 0.00 O ATOM 587 CB SER A 47 17.761 0.190 -2.898 1.00 0.00 C ATOM 588 OG SER A 47 18.894 0.968 -2.559 1.00 0.00 O ATOM 0 H SER A 47 16.068 -1.290 -4.127 1.00 0.00 H new ATOM 0 HA SER A 47 17.365 1.286 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.894 0.548 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.926 -0.845 -2.598 1.00 0.00 H new ATOM 0 HG SER A 47 19.026 1.666 -3.234 1.00 0.00 H new ATOM 594 N TYR A 48 19.660 0.355 -5.450 1.00 0.00 N ATOM 595 CA TYR A 48 20.804 -0.246 -6.147 1.00 0.00 C ATOM 596 C TYR A 48 22.116 0.053 -5.444 1.00 0.00 C ATOM 597 O TYR A 48 22.556 1.200 -5.362 1.00 0.00 O ATOM 598 CB TYR A 48 20.867 0.180 -7.618 1.00 0.00 C ATOM 599 CG TYR A 48 19.513 0.471 -8.211 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.217 1.713 -8.752 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.526 -0.500 -8.208 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.970 1.978 -9.284 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.277 -0.247 -8.740 1.00 0.00 C ATOM 604 CZ TYR A 48 17.003 0.994 -9.277 1.00 0.00 C ATOM 605 OH TYR A 48 15.760 1.251 -9.807 1.00 0.00 O ATOM 0 H TYR A 48 19.747 1.349 -5.237 1.00 0.00 H new ATOM 0 HA TYR A 48 20.650 -1.325 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.493 1.068 -7.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.348 -0.608 -8.197 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.973 2.485 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.736 -1.470 -7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.753 2.950 -9.703 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.519 -1.016 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 48 15.198 0.453 -9.724 1.00 0.00 H new ATOM 615 N CYS A 49 22.733 -1.004 -4.935 1.00 0.00 N ATOM 616 CA CYS A 49 24.004 -0.893 -4.234 1.00 0.00 C ATOM 617 C CYS A 49 25.090 -0.381 -5.169 1.00 0.00 C ATOM 618 O CYS A 49 25.534 -1.092 -6.070 1.00 0.00 O ATOM 619 CB CYS A 49 24.414 -2.250 -3.657 1.00 0.00 C ATOM 620 SG CYS A 49 26.088 -2.277 -2.938 1.00 0.00 S ATOM 0 H CYS A 49 22.370 -1.955 -4.995 1.00 0.00 H new ATOM 0 HA CYS A 49 23.881 -0.182 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.696 -2.538 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.357 -3.000 -4.445 1.00 0.00 H new ATOM 625 N GLU A 50 25.517 0.854 -4.947 1.00 0.00 N ATOM 626 CA GLU A 50 26.551 1.457 -5.774 1.00 0.00 C ATOM 627 C GLU A 50 27.548 2.232 -4.924 1.00 0.00 C ATOM 628 O GLU A 50 27.464 2.239 -3.696 1.00 0.00 O ATOM 629 CB GLU A 50 25.922 2.380 -6.815 1.00 0.00 C ATOM 630 CG GLU A 50 25.985 1.831 -8.231 1.00 0.00 C ATOM 631 CD GLU A 50 24.613 1.506 -8.789 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.896 2.447 -9.188 1.00 0.00 O ATOM 633 OE2 GLU A 50 24.256 0.310 -8.826 1.00 0.00 O ATOM 0 H GLU A 50 25.164 1.456 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 50 27.087 0.656 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.880 2.558 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.427 3.345 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.474 2.559 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.600 0.931 -8.241 1.00 0.00 H new ATOM 640 N LEU A 51 28.494 2.883 -5.589 1.00 0.00 N ATOM 641 CA LEU A 51 29.518 3.654 -4.901 1.00 0.00 C ATOM 642 C LEU A 51 29.011 5.043 -4.539 1.00 0.00 C ATOM 643 O LEU A 51 27.964 5.478 -5.018 1.00 0.00 O ATOM 644 CB LEU A 51 30.766 3.771 -5.774 1.00 0.00 C ATOM 645 CG LEU A 51 31.806 2.675 -5.555 1.00 0.00 C ATOM 646 CD1 LEU A 51 32.668 2.502 -6.796 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.667 2.991 -4.342 1.00 0.00 C ATOM 0 H LEU A 51 28.572 2.891 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 51 29.769 3.129 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.462 3.760 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.233 4.738 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 51 31.284 1.737 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 51 33.404 1.717 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 32.037 2.227 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 51 33.182 3.438 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 51 33.402 2.199 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 51 33.181 3.940 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.036 3.061 -3.456 1.00 0.00 H new ATOM 709 N MET A 57 30.704 3.337 -0.217 1.00 0.00 N ATOM 710 CA MET A 57 29.598 2.463 -0.583 1.00 0.00 C ATOM 711 C MET A 57 28.265 3.097 -0.204 1.00 0.00 C ATOM 712 O MET A 57 28.081 3.552 0.925 1.00 0.00 O ATOM 713 CB MET A 57 29.745 1.103 0.101 1.00 0.00 C ATOM 714 CG MET A 57 31.075 0.421 -0.176 1.00 0.00 C ATOM 715 SD MET A 57 31.032 -0.611 -1.654 1.00 0.00 S ATOM 716 CE MET A 57 31.996 -2.020 -1.112 1.00 0.00 C ATOM 0 HA MET A 57 29.620 2.318 -1.663 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.630 1.233 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.936 0.451 -0.229 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.851 1.178 -0.289 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.350 -0.192 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 57 32.060 -2.749 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.999 -1.691 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 57 31.516 -2.478 -0.247 1.00 0.00 H new ATOM 726 N VAL A 58 27.345 3.137 -1.159 1.00 0.00 N ATOM 727 CA VAL A 58 26.032 3.727 -0.935 1.00 0.00 C ATOM 728 C VAL A 58 24.937 2.882 -1.578 1.00 0.00 C ATOM 729 O VAL A 58 25.204 1.807 -2.115 1.00 0.00 O ATOM 730 CB VAL A 58 25.961 5.157 -1.495 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.903 6.078 -0.735 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.282 5.157 -2.976 1.00 0.00 C ATOM 0 H VAL A 58 27.485 2.767 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 58 25.875 3.760 0.143 1.00 0.00 H new ATOM 0 HB VAL A 58 24.946 5.532 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.838 7.085 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.622 6.097 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.925 5.712 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.228 6.176 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.287 4.764 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.562 4.532 -3.504 1.00 0.00 H new ATOM 742 N TRP A 59 23.704 3.377 -1.523 1.00 0.00 N ATOM 743 CA TRP A 59 22.569 2.663 -2.094 1.00 0.00 C ATOM 744 C TRP A 59 21.729 3.584 -2.977 1.00 0.00 C ATOM 745 O TRP A 59 21.430 4.718 -2.602 1.00 0.00 O ATOM 746 CB TRP A 59 21.698 2.085 -0.976 1.00 0.00 C ATOM 747 CG TRP A 59 22.229 0.809 -0.395 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.068 0.680 0.675 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.935 -0.519 -0.839 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.322 -0.649 0.918 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.637 -1.405 0.001 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.150 -1.046 -1.869 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.575 -2.787 -0.161 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.094 -2.417 -2.029 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.799 -3.272 -1.178 1.00 0.00 C ATOM 0 H TRP A 59 23.467 4.269 -1.089 1.00 0.00 H new ATOM 0 HA TRP A 59 22.955 1.852 -2.711 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.605 2.825 -0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.695 1.907 -1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.473 1.502 1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.921 -1.013 1.659 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.597 -0.393 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.120 -3.452 0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.495 -2.835 -2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.730 -4.340 -1.326 1.00 0.00 H new ATOM 766 N ASN A 60 21.353 3.088 -4.152 1.00 0.00 N ATOM 767 CA ASN A 60 20.510 3.845 -5.070 1.00 0.00 C ATOM 768 C ASN A 60 19.081 3.847 -4.560 1.00 0.00 C ATOM 769 O ASN A 60 18.773 3.087 -3.650 1.00 0.00 O ATOM 770 CB ASN A 60 20.572 3.236 -6.462 1.00 0.00 C ATOM 771 CG ASN A 60 21.486 4.000 -7.389 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.029 4.736 -8.264 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.782 3.830 -7.204 1.00 0.00 N ATOM 0 H ASN A 60 21.620 2.164 -4.491 1.00 0.00 H new ATOM 0 HA ASN A 60 20.871 4.872 -5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.915 2.204 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.569 3.209 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.451 4.319 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.115 3.210 -6.466 1.00 0.00 H new ATOM 780 N PRO A 61 18.209 4.722 -5.121 1.00 0.00 N ATOM 781 CA PRO A 61 16.804 4.873 -4.755 1.00 0.00 C ATOM 782 C PRO A 61 16.280 3.806 -3.802 1.00 0.00 C ATOM 783 O PRO A 61 15.846 2.730 -4.211 1.00 0.00 O ATOM 784 CB PRO A 61 16.161 4.815 -6.132 1.00 0.00 C ATOM 785 CG PRO A 61 17.158 5.514 -7.028 1.00 0.00 C ATOM 786 CD PRO A 61 18.475 5.587 -6.266 1.00 0.00 C ATOM 0 HA PRO A 61 16.594 5.778 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.990 3.787 -6.450 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.194 5.317 -6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.284 4.968 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.808 6.513 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.313 5.228 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.715 6.606 -5.961 1.00 0.00 H new ATOM 794 N GLU A 62 16.355 4.133 -2.514 1.00 0.00 N ATOM 795 CA GLU A 62 15.990 3.217 -1.446 1.00 0.00 C ATOM 796 C GLU A 62 14.489 3.193 -1.170 1.00 0.00 C ATOM 797 O GLU A 62 13.774 2.336 -1.687 1.00 0.00 O ATOM 798 CB GLU A 62 16.755 3.592 -0.178 1.00 0.00 C ATOM 799 CG GLU A 62 18.259 3.443 -0.316 1.00 0.00 C ATOM 800 CD GLU A 62 18.791 2.204 0.376 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.682 2.344 1.241 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.318 1.094 0.054 1.00 0.00 O ATOM 0 H GLU A 62 16.672 5.045 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 62 16.261 2.212 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.522 4.623 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.409 2.966 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.520 3.404 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.747 4.324 0.100 1.00 0.00 H new ATOM 809 N ALA A 63 14.024 4.094 -0.306 1.00 0.00 N ATOM 810 CA ALA A 63 12.622 4.113 0.098 1.00 0.00 C ATOM 811 C ALA A 63 11.796 5.110 -0.712 1.00 0.00 C ATOM 812 O ALA A 63 11.893 6.319 -0.501 1.00 0.00 O ATOM 813 CB ALA A 63 12.517 4.436 1.580 1.00 0.00 C ATOM 0 H ALA A 63 14.598 4.818 0.126 1.00 0.00 H new ATOM 0 HA ALA A 63 12.214 3.121 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.468 4.449 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.047 3.678 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.960 5.413 1.772 1.00 0.00 H new ATOM 819 N PRO A 64 10.924 4.616 -1.611 1.00 0.00 N ATOM 820 CA PRO A 64 10.041 5.467 -2.409 1.00 0.00 C ATOM 821 C PRO A 64 8.889 6.013 -1.570 1.00 0.00 C ATOM 822 O PRO A 64 9.018 6.170 -0.355 1.00 0.00 O ATOM 823 CB PRO A 64 9.509 4.524 -3.504 1.00 0.00 C ATOM 824 CG PRO A 64 10.275 3.249 -3.352 1.00 0.00 C ATOM 825 CD PRO A 64 10.714 3.199 -1.919 1.00 0.00 C ATOM 0 HA PRO A 64 10.559 6.339 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.439 4.353 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.657 4.953 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.654 2.389 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.133 3.227 -4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.956 2.750 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.626 2.615 -1.792 1.00 0.00 H new ATOM 833 N ILE A 65 7.757 6.280 -2.213 1.00 0.00 N ATOM 834 CA ILE A 65 6.584 6.781 -1.510 1.00 0.00 C ATOM 835 C ILE A 65 5.725 5.628 -1.005 1.00 0.00 C ATOM 836 O ILE A 65 5.900 4.484 -1.418 1.00 0.00 O ATOM 837 CB ILE A 65 5.726 7.684 -2.408 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.614 8.562 -3.292 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.799 8.541 -1.567 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.320 9.664 -2.532 1.00 0.00 C ATOM 0 H ILE A 65 7.628 6.158 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 65 6.947 7.368 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 65 5.118 7.050 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.359 7.935 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.004 9.007 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.198 9.175 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.143 7.899 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.389 9.166 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.932 10.247 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.581 10.314 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.956 9.226 -1.763 1.00 0.00 H new ATOM 852 N CYS A 66 4.791 5.936 -0.117 1.00 0.00 N ATOM 853 CA CYS A 66 3.905 4.922 0.439 1.00 0.00 C ATOM 854 C CYS A 66 2.717 5.566 1.144 1.00 0.00 C ATOM 855 O CYS A 66 2.871 6.548 1.871 1.00 0.00 O ATOM 856 CB CYS A 66 4.671 4.030 1.417 1.00 0.00 C ATOM 857 SG CYS A 66 5.072 2.378 0.762 1.00 0.00 S ATOM 0 H CYS A 66 4.627 6.879 0.234 1.00 0.00 H new ATOM 0 HA CYS A 66 3.529 4.312 -0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.597 4.531 1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.080 3.915 2.326 1.00 0.00 H new ATOM 862 N GLU A 67 1.532 5.008 0.925 1.00 0.00 N ATOM 863 CA GLU A 67 0.318 5.533 1.534 1.00 0.00 C ATOM 864 C GLU A 67 -0.778 4.474 1.564 1.00 0.00 C ATOM 865 O GLU A 67 -0.650 3.417 0.947 1.00 0.00 O ATOM 866 CB GLU A 67 -0.167 6.758 0.761 1.00 0.00 C ATOM 867 CG GLU A 67 -0.425 7.972 1.638 1.00 0.00 C ATOM 868 CD GLU A 67 0.245 9.225 1.109 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.388 9.124 0.615 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.375 10.307 1.186 1.00 0.00 O ATOM 0 H GLU A 67 1.387 4.192 0.330 1.00 0.00 H new ATOM 0 HA GLU A 67 0.548 5.820 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.575 7.017 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.085 6.502 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.499 8.142 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.065 7.770 2.647 1.00 0.00 H new ATOM 877 N SER A 68 -1.858 4.768 2.279 1.00 0.00 N ATOM 878 CA SER A 68 -2.979 3.842 2.383 1.00 0.00 C ATOM 879 C SER A 68 -3.875 3.930 1.156 1.00 0.00 C ATOM 880 O SER A 68 -4.386 4.997 0.816 1.00 0.00 O ATOM 881 CB SER A 68 -3.789 4.124 3.651 1.00 0.00 C ATOM 882 OG SER A 68 -5.164 3.825 3.469 1.00 0.00 O ATOM 0 H SER A 68 -1.981 5.639 2.795 1.00 0.00 H new ATOM 0 HA SER A 68 -2.577 2.831 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.393 3.531 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.678 5.172 3.929 1.00 0.00 H new ATOM 0 HG SER A 68 -5.254 2.954 3.029 1.00 0.00 H new ATOM 888 N VAL A 69 -4.068 2.793 0.506 1.00 0.00 N ATOM 889 CA VAL A 69 -4.907 2.717 -0.680 1.00 0.00 C ATOM 890 C VAL A 69 -6.264 3.356 -0.429 1.00 0.00 C ATOM 891 O VAL A 69 -7.130 2.779 0.228 1.00 0.00 O ATOM 892 CB VAL A 69 -5.110 1.265 -1.146 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.432 0.367 0.035 1.00 0.00 C ATOM 894 CG2 VAL A 69 -3.882 0.763 -1.888 1.00 0.00 C ATOM 0 H VAL A 69 -3.652 1.904 0.782 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.387 3.264 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.955 1.239 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.572 -0.656 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.610 0.397 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.345 0.714 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.046 -0.266 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.702 1.391 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.016 0.803 -1.227 1.00 0.00 H new ATOM 904 N LYS A 70 -6.434 4.552 -0.967 1.00 0.00 N ATOM 905 CA LYS A 70 -7.664 5.309 -0.790 1.00 0.00 C ATOM 906 C LYS A 70 -8.826 4.707 -1.571 1.00 0.00 C ATOM 907 O LYS A 70 -8.776 4.599 -2.796 1.00 0.00 O ATOM 908 CB LYS A 70 -7.448 6.755 -1.236 1.00 0.00 C ATOM 909 CG LYS A 70 -6.928 7.658 -0.133 1.00 0.00 C ATOM 910 CD LYS A 70 -7.915 7.737 1.015 1.00 0.00 C ATOM 911 CE LYS A 70 -7.516 8.799 2.023 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.543 8.971 3.087 1.00 0.00 N ATOM 0 H LYS A 70 -5.730 5.024 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.920 5.274 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.744 6.769 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.390 7.156 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.972 7.281 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.747 8.657 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.909 7.959 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.975 6.768 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.564 8.527 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.364 9.748 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.232 9.705 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.446 9.256 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.670 8.073 3.595 1.00 0.00 H new ATOM 926 N CYS A 71 -9.888 4.352 -0.855 1.00 0.00 N ATOM 927 CA CYS A 71 -11.098 3.835 -1.482 1.00 0.00 C ATOM 928 C CYS A 71 -12.202 4.871 -1.372 1.00 0.00 C ATOM 929 O CYS A 71 -12.554 5.302 -0.275 1.00 0.00 O ATOM 930 CB CYS A 71 -11.568 2.520 -0.848 1.00 0.00 C ATOM 931 SG CYS A 71 -10.398 1.744 0.320 1.00 0.00 S ATOM 0 H CYS A 71 -9.935 4.413 0.162 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.866 3.630 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.506 2.705 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.782 1.809 -1.646 1.00 0.00 H new ATOM 936 N GLN A 72 -12.728 5.287 -2.510 1.00 0.00 N ATOM 937 CA GLN A 72 -13.777 6.290 -2.525 1.00 0.00 C ATOM 938 C GLN A 72 -15.071 5.717 -1.964 1.00 0.00 C ATOM 939 O GLN A 72 -15.057 4.699 -1.271 1.00 0.00 O ATOM 940 CB GLN A 72 -13.986 6.819 -3.946 1.00 0.00 C ATOM 941 CG GLN A 72 -14.708 5.852 -4.871 1.00 0.00 C ATOM 942 CD GLN A 72 -13.767 4.862 -5.529 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.028 5.209 -6.451 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.791 3.620 -5.060 1.00 0.00 N ATOM 0 H GLN A 72 -12.448 4.948 -3.430 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.473 7.123 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.553 7.748 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.015 7.061 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.463 5.308 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.233 6.416 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.419 3.376 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.181 2.910 -5.465 1.00 0.00 H new ATOM 953 N SER A 73 -16.185 6.377 -2.249 1.00 0.00 N ATOM 954 CA SER A 73 -17.475 5.916 -1.776 1.00 0.00 C ATOM 955 C SER A 73 -17.695 4.460 -2.172 1.00 0.00 C ATOM 956 O SER A 73 -17.290 4.037 -3.255 1.00 0.00 O ATOM 957 CB SER A 73 -18.580 6.793 -2.353 1.00 0.00 C ATOM 958 OG SER A 73 -19.692 6.861 -1.478 1.00 0.00 O ATOM 0 H SER A 73 -16.218 7.232 -2.805 1.00 0.00 H new ATOM 0 HA SER A 73 -17.499 5.985 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.194 7.796 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.897 6.395 -3.317 1.00 0.00 H new ATOM 0 HG SER A 73 -20.156 5.998 -1.471 1.00 0.00 H new ATOM 964 N PRO A 74 -18.308 3.661 -1.287 1.00 0.00 N ATOM 965 CA PRO A 74 -18.566 2.247 -1.561 1.00 0.00 C ATOM 966 C PRO A 74 -19.414 2.066 -2.816 1.00 0.00 C ATOM 967 O PRO A 74 -20.073 3.001 -3.270 1.00 0.00 O ATOM 968 CB PRO A 74 -19.310 1.751 -0.316 1.00 0.00 C ATOM 969 CG PRO A 74 -19.043 2.773 0.739 1.00 0.00 C ATOM 970 CD PRO A 74 -18.824 4.077 0.024 1.00 0.00 C ATOM 0 HA PRO A 74 -17.648 1.691 -1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.379 1.655 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.952 0.768 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.883 2.846 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.167 2.502 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.750 4.645 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.113 4.712 0.553 1.00 0.00 H new ATOM 978 N PRO A 75 -19.382 0.866 -3.416 1.00 0.00 N ATOM 979 CA PRO A 75 -20.131 0.573 -4.637 1.00 0.00 C ATOM 980 C PRO A 75 -21.517 1.209 -4.647 1.00 0.00 C ATOM 981 O PRO A 75 -22.093 1.489 -3.596 1.00 0.00 O ATOM 982 CB PRO A 75 -20.231 -0.947 -4.612 1.00 0.00 C ATOM 983 CG PRO A 75 -18.978 -1.389 -3.934 1.00 0.00 C ATOM 984 CD PRO A 75 -18.613 -0.303 -2.951 1.00 0.00 C ATOM 0 HA PRO A 75 -19.644 0.973 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.116 -1.278 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.304 -1.357 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.129 -2.340 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.178 -1.540 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.882 -0.579 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.541 -0.104 -2.955 1.00 0.00 H new ATOM 992 N SER A 76 -22.037 1.448 -5.846 1.00 0.00 N ATOM 993 CA SER A 76 -23.352 2.058 -6.002 1.00 0.00 C ATOM 994 C SER A 76 -24.374 1.032 -6.479 1.00 0.00 C ATOM 995 O SER A 76 -24.574 0.852 -7.680 1.00 0.00 O ATOM 996 CB SER A 76 -23.284 3.223 -6.992 1.00 0.00 C ATOM 997 OG SER A 76 -24.562 3.805 -7.184 1.00 0.00 O ATOM 0 H SER A 76 -21.567 1.228 -6.724 1.00 0.00 H new ATOM 0 HA SER A 76 -23.667 2.435 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.589 3.977 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.894 2.870 -7.947 1.00 0.00 H new ATOM 0 HG SER A 76 -24.491 4.548 -7.819 1.00 0.00 H new ATOM 1003 N ILE A 77 -25.017 0.364 -5.529 1.00 0.00 N ATOM 1004 CA ILE A 77 -26.014 -0.649 -5.850 1.00 0.00 C ATOM 1005 C ILE A 77 -27.275 -0.021 -6.431 1.00 0.00 C ATOM 1006 O ILE A 77 -27.354 1.195 -6.605 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.392 -1.478 -4.608 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.111 -0.609 -3.572 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.150 -2.109 -4.003 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.885 -1.411 -2.549 1.00 0.00 C ATOM 0 H ILE A 77 -24.866 0.506 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 77 -25.565 -1.306 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 77 -27.074 -2.271 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.378 0.011 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.795 0.066 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.429 -2.693 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.679 -2.761 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.450 -1.326 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.369 -0.733 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.642 -2.011 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.202 -2.067 -2.009 1.00 0.00 H new ATOM 1022 N SER A 78 -28.265 -0.860 -6.718 1.00 0.00 N ATOM 1023 CA SER A 78 -29.532 -0.390 -7.260 1.00 0.00 C ATOM 1024 C SER A 78 -30.611 -0.404 -6.187 1.00 0.00 C ATOM 1025 O SER A 78 -30.652 -1.302 -5.346 1.00 0.00 O ATOM 1026 CB SER A 78 -29.962 -1.264 -8.440 1.00 0.00 C ATOM 1027 OG SER A 78 -28.882 -1.491 -9.328 1.00 0.00 O ATOM 0 H SER A 78 -28.213 -1.870 -6.584 1.00 0.00 H new ATOM 0 HA SER A 78 -29.396 0.634 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.340 -2.218 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.781 -0.782 -8.974 1.00 0.00 H new ATOM 0 HG SER A 78 -29.183 -2.053 -10.072 1.00 0.00 H new ATOM 1033 N ASN A 79 -31.479 0.601 -6.212 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.556 0.696 -5.240 1.00 0.00 C ATOM 1035 C ASN A 79 -32.001 0.827 -3.829 1.00 0.00 C ATOM 1036 O ASN A 79 -32.625 0.392 -2.862 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.457 -0.535 -5.334 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.684 -0.982 -6.762 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -34.369 -0.311 -7.535 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -33.115 -2.124 -7.119 1.00 0.00 N ATOM 0 H ASN A 79 -31.456 1.359 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.142 1.587 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.010 -1.352 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.418 -0.314 -4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -33.236 -2.480 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -32.556 -2.647 -6.446 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.822 1.429 -3.720 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.205 1.608 -2.423 1.00 0.00 C ATOM 1049 C GLY A 80 -28.918 2.402 -2.491 1.00 0.00 C ATOM 1050 O GLY A 80 -28.603 3.006 -3.516 1.00 0.00 O ATOM 0 H GLY A 80 -30.285 1.795 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.905 2.115 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -30.001 0.631 -1.985 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.184 2.411 -1.387 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.935 3.144 -1.299 1.00 0.00 C ATOM 1056 C ARG A 81 -26.199 2.792 -0.015 1.00 0.00 C ATOM 1057 O ARG A 81 -26.622 1.915 0.735 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.189 4.649 -1.370 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.529 5.092 -0.805 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.923 6.447 -1.362 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.043 6.361 -2.295 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.573 7.418 -2.905 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.587 7.265 -3.745 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -30.090 8.632 -2.671 1.00 0.00 N ATOM 0 H ARG A 81 -28.438 1.913 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.311 2.859 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.394 5.164 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.126 4.966 -2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.294 4.356 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.472 5.143 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.189 7.111 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -28.066 6.892 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.440 5.442 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.964 6.334 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.991 8.078 -4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -29.312 8.755 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.497 9.442 -3.139 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.098 3.480 0.230 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.294 3.236 1.420 1.00 0.00 C ATOM 1080 C HIS A 82 -24.526 4.316 2.472 1.00 0.00 C ATOM 1081 O HIS A 82 -25.185 5.322 2.210 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.815 3.173 1.047 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.420 4.192 0.025 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.643 5.543 0.186 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.842 4.049 -1.190 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.205 6.189 -0.880 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.712 5.306 -1.727 1.00 0.00 N ATOM 0 H HIS A 82 -24.737 4.214 -0.379 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.598 2.280 1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.214 3.317 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.585 2.178 0.666 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -23.078 5.976 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.540 3.120 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.244 7.258 -1.032 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.987 4.093 3.668 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.141 5.041 4.767 1.00 0.00 C ATOM 1098 C ASN A 83 -22.865 5.844 4.989 1.00 0.00 C ATOM 1099 O ASN A 83 -22.665 6.417 6.060 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.495 4.300 6.055 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.627 3.310 5.864 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.393 3.401 4.905 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -25.735 2.354 6.779 1.00 0.00 N ATOM 0 H ASN A 83 -23.440 3.264 3.900 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.944 5.728 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.614 3.773 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.775 5.023 6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.476 1.657 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.077 2.317 7.558 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.808 9.535 1.214 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.874 8.455 0.928 1.00 0.00 C ATOM 1167 C PHE A 88 -12.767 7.496 2.107 1.00 0.00 C ATOM 1168 O PHE A 88 -13.369 7.717 3.158 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.493 9.015 0.597 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.285 9.260 -0.865 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.630 8.324 -1.642 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.747 10.420 -1.462 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.435 8.538 -2.989 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.555 10.642 -2.811 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.897 9.699 -3.577 1.00 0.00 C ATOM 0 HA PHE A 88 -13.255 7.907 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.349 9.950 1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.733 8.320 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.267 7.414 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.263 11.159 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.921 7.798 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.918 11.551 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.744 9.869 -4.633 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.002 6.425 1.921 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.812 5.431 2.970 1.00 0.00 C ATOM 1187 C TYR A 89 -10.431 4.797 2.866 1.00 0.00 C ATOM 1188 O TYR A 89 -9.842 4.741 1.786 1.00 0.00 O ATOM 1189 CB TYR A 89 -12.895 4.351 2.890 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.291 4.883 3.117 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -14.932 4.699 4.335 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.961 5.582 2.121 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.206 5.187 4.550 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.236 6.070 2.327 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.853 5.871 3.543 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.121 6.359 3.753 1.00 0.00 O ATOM 0 H TYR A 89 -11.504 6.224 1.054 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.891 5.935 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.851 3.874 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.683 3.579 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.426 4.166 5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.477 5.746 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.693 5.034 5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.747 6.605 1.540 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.433 6.816 2.945 1.00 0.00 H new ATOM 1206 N THR A 90 -9.914 4.334 3.997 1.00 0.00 N ATOM 1207 CA THR A 90 -8.594 3.718 4.034 1.00 0.00 C ATOM 1208 C THR A 90 -8.699 2.199 4.092 1.00 0.00 C ATOM 1209 O THR A 90 -9.793 1.645 4.191 1.00 0.00 O ATOM 1210 CB THR A 90 -7.805 4.231 5.239 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.595 4.181 6.414 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.317 5.653 5.071 1.00 0.00 C ATOM 0 H THR A 90 -10.388 4.373 4.899 1.00 0.00 H new ATOM 0 HA THR A 90 -8.069 3.991 3.118 1.00 0.00 H new ATOM 0 HB THR A 90 -6.939 3.574 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.072 4.512 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.765 5.956 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.664 5.713 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.170 6.316 4.930 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.553 1.531 4.029 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.513 0.080 4.085 1.00 0.00 C ATOM 1222 C ASP A 91 -7.879 -0.411 5.469 1.00 0.00 C ATOM 1223 O ASP A 91 -7.083 -0.354 6.406 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.135 -0.440 3.708 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.192 -1.789 3.017 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.998 -2.815 3.703 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.431 -1.819 1.791 1.00 0.00 O ATOM 0 H ASP A 91 -6.639 1.975 3.939 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.241 -0.300 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.645 0.280 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.523 -0.521 4.606 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.097 -0.887 5.575 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.593 -1.406 6.831 1.00 0.00 C ATOM 1234 C GLY A 92 -10.821 -0.667 7.327 1.00 0.00 C ATOM 1235 O GLY A 92 -11.099 -0.652 8.526 1.00 0.00 O ATOM 0 H GLY A 92 -9.765 -0.926 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.833 -2.463 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.806 -1.340 7.583 1.00 0.00 H new ATOM 1239 N SER A 93 -11.558 -0.054 6.406 1.00 0.00 N ATOM 1240 CA SER A 93 -12.767 0.679 6.765 1.00 0.00 C ATOM 1241 C SER A 93 -14.009 -0.148 6.453 1.00 0.00 C ATOM 1242 O SER A 93 -13.943 -1.124 5.706 1.00 0.00 O ATOM 1243 CB SER A 93 -12.828 2.014 6.020 1.00 0.00 C ATOM 1244 OG SER A 93 -11.530 2.466 5.675 1.00 0.00 O ATOM 0 H SER A 93 -11.340 -0.050 5.409 1.00 0.00 H new ATOM 0 HA SER A 93 -12.738 0.876 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.430 1.903 5.118 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.322 2.759 6.643 1.00 0.00 H new ATOM 0 HG SER A 93 -11.238 2.024 4.850 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.140 0.244 7.029 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.389 -0.471 6.811 1.00 0.00 C ATOM 1252 C VAL A 94 -17.544 0.492 6.571 1.00 0.00 C ATOM 1253 O VAL A 94 -17.487 1.662 6.949 1.00 0.00 O ATOM 1254 CB VAL A 94 -16.728 -1.387 8.004 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -15.621 -2.405 8.215 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.064 -2.086 7.792 1.00 0.00 C ATOM 0 H VAL A 94 -15.216 1.051 7.648 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.249 -1.086 5.922 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.810 -0.769 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.872 -3.046 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.511 -3.014 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -14.684 -1.887 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.280 -2.726 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.852 -1.340 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.018 -2.693 6.888 1.00 0.00 H new ATOM 1266 N VAL A 95 -18.593 -0.018 5.939 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.776 0.777 5.644 1.00 0.00 C ATOM 1268 C VAL A 95 -21.011 -0.108 5.548 1.00 0.00 C ATOM 1269 O VAL A 95 -20.921 -1.276 5.170 1.00 0.00 O ATOM 1270 CB VAL A 95 -19.622 1.556 4.325 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.784 2.517 4.129 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.300 2.302 4.292 1.00 0.00 C ATOM 0 H VAL A 95 -18.648 -0.985 5.619 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.892 1.487 6.463 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.630 0.839 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.655 3.057 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.719 1.957 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.812 3.227 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.212 2.845 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.259 3.006 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.479 1.591 4.378 1.00 0.00 H new ATOM 1282 N THR A 96 -22.162 0.455 5.887 1.00 0.00 N ATOM 1283 CA THR A 96 -23.416 -0.280 5.817 1.00 0.00 C ATOM 1284 C THR A 96 -24.266 0.232 4.663 1.00 0.00 C ATOM 1285 O THR A 96 -24.365 1.438 4.441 1.00 0.00 O ATOM 1286 CB THR A 96 -24.186 -0.154 7.133 1.00 0.00 C ATOM 1287 OG1 THR A 96 -23.656 0.896 7.925 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.161 -1.417 7.966 1.00 0.00 C ATOM 0 H THR A 96 -22.253 1.417 6.213 1.00 0.00 H new ATOM 0 HA THR A 96 -23.188 -1.332 5.646 1.00 0.00 H new ATOM 0 HB THR A 96 -25.218 0.050 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.162 0.962 8.761 1.00 0.00 H new ATOM 0 HG21 THR A 96 -24.726 -1.258 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.609 -2.234 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.130 -1.670 8.213 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.858 -0.689 3.914 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.688 -0.319 2.778 1.00 0.00 C ATOM 1298 C TYR A 97 -27.153 -0.228 3.180 1.00 0.00 C ATOM 1299 O TYR A 97 -27.581 -0.844 4.157 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.515 -1.322 1.640 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.373 -0.990 0.710 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.100 -0.736 1.205 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.565 -0.945 -0.664 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.052 -0.441 0.358 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.520 -0.651 -1.518 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.266 -0.399 -1.002 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.224 -0.107 -1.851 1.00 0.00 O ATOM 0 H TYR A 97 -24.779 -1.693 4.073 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.366 0.663 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.352 -2.314 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.439 -1.369 1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.928 -0.770 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.546 -1.143 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.069 -0.244 0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.684 -0.619 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.395 0.749 -2.296 1.00 0.00 H new ATOM 1317 N SER A 98 -27.912 0.554 2.426 1.00 0.00 N ATOM 1318 CA SER A 98 -29.331 0.745 2.714 1.00 0.00 C ATOM 1319 C SER A 98 -30.106 1.132 1.460 1.00 0.00 C ATOM 1320 O SER A 98 -29.610 1.875 0.616 1.00 0.00 O ATOM 1321 CB SER A 98 -29.511 1.826 3.778 1.00 0.00 C ATOM 1322 OG SER A 98 -28.443 1.812 4.709 1.00 0.00 O ATOM 0 H SER A 98 -27.573 1.066 1.612 1.00 0.00 H new ATOM 0 HA SER A 98 -29.725 -0.202 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.568 2.804 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.455 1.672 4.301 1.00 0.00 H new ATOM 0 HG SER A 98 -27.742 2.429 4.412 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.343 0.655 1.367 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.193 0.945 0.224 1.00 0.00 C ATOM 1330 C CYS A 99 -32.632 2.402 0.200 1.00 0.00 C ATOM 1331 O CYS A 99 -32.467 3.131 1.178 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.424 0.050 0.260 1.00 0.00 C ATOM 1333 SG CYS A 99 -33.050 -1.690 0.649 1.00 0.00 S ATOM 0 H CYS A 99 -31.778 0.063 2.075 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.611 0.752 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.123 0.437 1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.926 0.098 -0.706 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.221 2.808 -0.920 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.730 4.167 -1.068 1.00 0.00 C ATOM 1340 C ASN A 100 -35.235 4.203 -0.830 1.00 0.00 C ATOM 1341 O ASN A 100 -35.693 4.491 0.276 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.408 4.735 -2.458 1.00 0.00 C ATOM 1343 CG ASN A 100 -33.287 3.672 -3.537 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -34.150 2.804 -3.671 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -32.214 3.743 -4.316 1.00 0.00 N ATOM 0 H ASN A 100 -33.358 2.215 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.235 4.788 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.188 5.442 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -32.474 5.295 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -32.079 3.061 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.524 4.480 -4.168 1.00 0.00 H new ATOM 1352 N SER A 101 -35.998 3.894 -1.872 1.00 0.00 N ATOM 1353 CA SER A 101 -37.455 3.889 -1.784 1.00 0.00 C ATOM 1354 C SER A 101 -37.937 3.006 -0.635 1.00 0.00 C ATOM 1355 O SER A 101 -38.926 3.319 0.027 1.00 0.00 O ATOM 1356 CB SER A 101 -38.062 3.404 -3.102 1.00 0.00 C ATOM 1357 OG SER A 101 -39.472 3.541 -3.095 1.00 0.00 O ATOM 0 H SER A 101 -35.632 3.643 -2.790 1.00 0.00 H new ATOM 0 HA SER A 101 -37.782 4.910 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.642 3.974 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.796 2.360 -3.266 1.00 0.00 H new ATOM 0 HG SER A 101 -39.836 3.226 -3.949 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.243 1.893 -0.414 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.618 0.985 0.654 1.00 0.00 C ATOM 1365 C GLY A 102 -37.577 -0.468 0.223 1.00 0.00 C ATOM 1366 O GLY A 102 -38.510 -1.228 0.480 1.00 0.00 O ATOM 0 H GLY A 102 -36.428 1.604 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.947 1.128 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.623 1.230 0.999 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.486 -0.853 -0.431 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.306 -2.216 -0.902 1.00 0.00 C ATOM 1372 C TYR A 103 -35.761 -3.103 0.213 1.00 0.00 C ATOM 1373 O TYR A 103 -35.682 -2.683 1.368 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.344 -2.210 -2.090 1.00 0.00 C ATOM 1375 CG TYR A 103 -36.029 -2.013 -3.422 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.518 -0.768 -3.793 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.188 -3.071 -4.307 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -37.142 -0.580 -5.011 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.804 -2.890 -5.531 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.288 -1.646 -5.874 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.913 -1.465 -7.086 1.00 0.00 O ATOM 0 H TYR A 103 -35.707 -0.231 -0.647 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.270 -2.619 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.609 -1.417 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.797 -3.152 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -36.409 0.068 -3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.825 -4.051 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -37.513 0.396 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.906 -3.719 -6.215 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.932 -2.315 -7.574 1.00 0.00 H new ATOM 1391 N SER A 104 -35.362 -4.321 -0.138 1.00 0.00 N ATOM 1392 CA SER A 104 -34.808 -5.250 0.838 1.00 0.00 C ATOM 1393 C SER A 104 -33.359 -5.588 0.503 1.00 0.00 C ATOM 1394 O SER A 104 -33.091 -6.394 -0.388 1.00 0.00 O ATOM 1395 CB SER A 104 -35.644 -6.530 0.888 1.00 0.00 C ATOM 1396 OG SER A 104 -37.028 -6.234 0.930 1.00 0.00 O ATOM 0 H SER A 104 -35.412 -4.686 -1.089 1.00 0.00 H new ATOM 0 HA SER A 104 -34.835 -4.770 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.427 -7.144 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.367 -7.115 1.765 1.00 0.00 H new ATOM 0 HG SER A 104 -37.540 -7.069 0.960 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.426 -4.973 1.227 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.012 -5.203 1.008 1.00 0.00 C ATOM 1404 C LEU A 105 -30.703 -6.684 0.935 1.00 0.00 C ATOM 1405 O LEU A 105 -31.219 -7.490 1.709 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.180 -4.551 2.105 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.911 -3.867 1.601 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.055 -2.358 1.680 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.700 -4.344 2.383 1.00 0.00 C ATOM 0 H LEU A 105 -32.633 -4.309 1.973 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.750 -4.749 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.795 -3.816 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.905 -5.310 2.837 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.762 -4.137 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.142 -1.886 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.897 -2.040 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.230 -2.063 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.806 -3.845 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.833 -4.108 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.591 -5.422 2.263 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.869 -7.024 -0.023 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.463 -8.396 -0.244 1.00 0.00 C ATOM 1423 C ILE A 106 -28.055 -8.623 0.290 1.00 0.00 C ATOM 1424 O ILE A 106 -27.291 -7.676 0.465 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.510 -8.740 -1.743 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.935 -8.585 -2.280 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -28.995 -10.149 -1.990 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -31.906 -9.600 -1.722 1.00 0.00 C ATOM 0 H ILE A 106 -29.452 -6.357 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.157 -9.046 0.289 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.861 -8.045 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.295 -7.583 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.916 -8.672 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.038 -10.370 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -27.964 -10.225 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -29.614 -10.863 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -32.895 -9.429 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.570 -10.605 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.955 -9.499 -0.638 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.719 -9.878 0.554 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.405 -10.188 1.080 1.00 0.00 C ATOM 1442 C GLY A 107 -26.170 -9.550 2.432 1.00 0.00 C ATOM 1443 O GLY A 107 -26.966 -9.720 3.356 1.00 0.00 O ATOM 0 H GLY A 107 -28.329 -10.683 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.295 -11.269 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.644 -9.844 0.380 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.081 -8.804 2.543 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.743 -8.127 3.790 1.00 0.00 C ATOM 1449 C ASN A 108 -24.571 -6.627 3.572 1.00 0.00 C ATOM 1450 O ASN A 108 -23.876 -6.196 2.652 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.464 -8.716 4.387 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.466 -10.232 4.377 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.597 -10.862 3.776 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.447 -10.826 5.048 1.00 0.00 N ATOM 0 H ASN A 108 -24.415 -8.651 1.786 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.566 -8.281 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.603 -8.353 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.348 -8.362 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.500 -11.844 5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -25.147 -10.264 5.532 1.00 0.00 H new ATOM 1461 N SER A 109 -25.210 -5.836 4.430 1.00 0.00 N ATOM 1462 CA SER A 109 -25.126 -4.385 4.348 1.00 0.00 C ATOM 1463 C SER A 109 -23.693 -3.911 4.565 1.00 0.00 C ATOM 1464 O SER A 109 -23.295 -2.852 4.079 1.00 0.00 O ATOM 1465 CB SER A 109 -26.057 -3.754 5.387 1.00 0.00 C ATOM 1466 OG SER A 109 -25.358 -3.409 6.571 1.00 0.00 O ATOM 0 H SER A 109 -25.794 -6.180 5.193 1.00 0.00 H new ATOM 0 HA SER A 109 -25.437 -4.074 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.523 -2.863 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.860 -4.450 5.628 1.00 0.00 H new ATOM 0 HG SER A 109 -25.965 -3.468 7.338 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.924 -4.710 5.294 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.547 -4.362 5.584 1.00 0.00 C ATOM 1474 C GLY A 110 -20.632 -4.511 4.383 1.00 0.00 C ATOM 1475 O GLY A 110 -20.772 -5.447 3.595 1.00 0.00 O ATOM 0 H GLY A 110 -23.232 -5.598 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.505 -3.333 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.181 -4.994 6.393 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.682 -3.589 4.256 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.719 -3.614 3.163 1.00 0.00 C ATOM 1481 C VAL A 111 -17.335 -3.227 3.667 1.00 0.00 C ATOM 1482 O VAL A 111 -17.171 -2.189 4.304 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.121 -2.660 2.029 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.399 -3.025 0.743 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.627 -2.666 1.823 1.00 0.00 C ATOM 0 H VAL A 111 -19.559 -2.810 4.903 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.703 -4.631 2.772 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.825 -1.650 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.697 -2.338 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.322 -2.956 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.659 -4.044 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.886 -1.982 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.955 -3.673 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.121 -2.347 2.741 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.343 -4.067 3.390 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.982 -3.811 3.850 1.00 0.00 C ATOM 1497 C LEU A 112 -14.185 -3.000 2.836 1.00 0.00 C ATOM 1498 O LEU A 112 -13.991 -3.427 1.698 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.255 -5.129 4.131 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.749 -4.997 4.391 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.116 -6.365 4.590 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.494 -4.109 5.600 1.00 0.00 C ATOM 0 H LEU A 112 -16.454 -4.927 2.852 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.057 -3.230 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.717 -5.604 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.405 -5.797 3.283 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.290 -4.533 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.048 -6.248 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.579 -6.859 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.267 -6.969 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.421 -4.026 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.910 -3.118 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.968 -4.546 6.479 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.683 -1.851 3.274 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.837 -1.019 2.434 1.00 0.00 C ATOM 1516 C CYS A 113 -11.397 -1.500 2.535 1.00 0.00 C ATOM 1517 O CYS A 113 -10.715 -1.238 3.528 1.00 0.00 O ATOM 1518 CB CYS A 113 -12.926 0.442 2.867 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.703 1.539 2.077 1.00 0.00 S ATOM 0 H CYS A 113 -13.849 -1.476 4.208 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.178 -1.095 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.926 0.814 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.799 0.496 3.948 1.00 0.00 H new ATOM 1524 N SER A 114 -10.956 -2.241 1.531 1.00 0.00 N ATOM 1525 CA SER A 114 -9.609 -2.794 1.531 1.00 0.00 C ATOM 1526 C SER A 114 -9.043 -2.886 0.121 1.00 0.00 C ATOM 1527 O SER A 114 -9.766 -2.739 -0.864 1.00 0.00 O ATOM 1528 CB SER A 114 -9.611 -4.180 2.178 1.00 0.00 C ATOM 1529 OG SER A 114 -9.099 -4.128 3.498 1.00 0.00 O ATOM 0 H SER A 114 -11.509 -2.474 0.706 1.00 0.00 H new ATOM 0 HA SER A 114 -8.974 -2.122 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.627 -4.576 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.011 -4.865 1.579 1.00 0.00 H new ATOM 0 HG SER A 114 -9.112 -5.026 3.890 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.739 -3.125 0.039 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.078 -3.245 -1.247 1.00 0.00 C ATOM 1537 C GLY A 115 -7.449 -2.134 -2.211 1.00 0.00 C ATOM 1538 O GLY A 115 -7.357 -2.305 -3.426 1.00 0.00 O ATOM 0 H GLY A 115 -7.125 -3.238 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.999 -3.242 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.335 -4.206 -1.693 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.855 -0.988 -1.672 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.241 0.126 -2.513 1.00 0.00 C ATOM 1544 C GLY A 116 -9.578 -0.104 -3.192 1.00 0.00 C ATOM 1545 O GLY A 116 -9.894 0.538 -4.194 1.00 0.00 O ATOM 0 H GLY A 116 -7.923 -0.813 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.293 1.033 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.474 0.290 -3.270 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.363 -1.026 -2.642 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.677 -1.340 -3.184 1.00 0.00 C ATOM 1551 C GLU A 117 -12.602 -1.830 -2.077 1.00 0.00 C ATOM 1552 O GLU A 117 -12.205 -1.912 -0.915 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.564 -2.404 -4.279 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.445 -2.139 -5.273 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.457 -3.113 -6.436 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.580 -2.996 -7.318 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.343 -3.993 -6.464 1.00 0.00 O ATOM 0 H GLU A 117 -10.108 -1.570 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.096 -0.432 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.402 -3.376 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.510 -2.461 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.536 -1.122 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.485 -2.203 -4.760 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.832 -2.165 -2.443 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.809 -2.639 -1.478 1.00 0.00 C ATOM 1566 C TRP A 118 -15.158 -4.100 -1.731 1.00 0.00 C ATOM 1567 O TRP A 118 -15.312 -4.522 -2.877 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.064 -1.777 -1.555 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.825 -0.360 -1.141 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.407 0.664 -1.939 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.973 0.188 0.173 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.293 1.817 -1.205 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.635 1.551 0.095 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.362 -0.339 1.408 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.675 2.392 1.201 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.401 0.498 2.507 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.065 1.854 2.395 1.00 0.00 C ATOM 0 H TRP A 118 -14.175 -2.116 -3.402 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.378 -2.563 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.447 -1.792 -2.576 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.836 -2.211 -0.919 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.196 0.579 -2.995 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.001 2.725 -1.568 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.627 -1.382 1.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.407 3.435 1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.695 0.101 3.467 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.115 2.486 3.269 1.00 0.00 H new ATOM 1588 N SER A 119 -15.273 -4.870 -0.656 1.00 0.00 N ATOM 1589 CA SER A 119 -15.591 -6.287 -0.767 1.00 0.00 C ATOM 1590 C SER A 119 -16.884 -6.622 -0.032 1.00 0.00 C ATOM 1591 O SER A 119 -17.202 -6.025 0.997 1.00 0.00 O ATOM 1592 CB SER A 119 -14.444 -7.133 -0.210 1.00 0.00 C ATOM 1593 OG SER A 119 -13.479 -6.323 0.438 1.00 0.00 O ATOM 0 H SER A 119 -15.151 -4.537 0.301 1.00 0.00 H new ATOM 0 HA SER A 119 -15.728 -6.516 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.838 -7.867 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.972 -7.689 -1.020 1.00 0.00 H new ATOM 0 HG SER A 119 -12.758 -6.888 0.786 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.620 -7.586 -0.572 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.869 -8.035 0.029 1.00 0.00 C ATOM 1601 C ASP A 120 -19.973 -6.984 -0.082 1.00 0.00 C ATOM 1602 O ASP A 120 -20.696 -6.735 0.883 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.641 -8.393 1.498 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.142 -9.782 1.839 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.888 -9.918 2.831 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.790 -10.735 1.111 1.00 0.00 O ATOM 0 H ASP A 120 -17.370 -8.075 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.198 -8.917 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.577 -8.328 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.146 -7.662 2.130 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.148 -6.377 -1.269 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.203 -5.389 -1.494 1.00 0.00 C ATOM 1613 C PRO A 121 -22.565 -6.058 -1.665 1.00 0.00 C ATOM 1614 O PRO A 121 -22.677 -7.079 -2.345 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.772 -4.707 -2.789 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.020 -5.760 -3.530 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.353 -6.622 -2.487 1.00 0.00 C ATOM 0 HA PRO A 121 -21.319 -4.699 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.632 -4.357 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.146 -3.837 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.692 -6.352 -4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.281 -5.314 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.367 -7.675 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.309 -6.344 -2.346 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.618 -5.509 -1.039 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.951 -6.087 -1.104 1.00 0.00 C ATOM 1627 C PRO A 122 -25.780 -5.572 -2.266 1.00 0.00 C ATOM 1628 O PRO A 122 -25.343 -4.727 -3.046 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.585 -5.644 0.212 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.872 -4.384 0.602 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.587 -4.311 -0.190 1.00 0.00 C ATOM 0 HA PRO A 122 -24.904 -7.166 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.654 -5.468 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.473 -6.411 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.496 -3.514 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.661 -4.381 1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.539 -3.401 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.715 -4.309 0.465 1.00 0.00 H new ATOM 1639 N THR A 123 -26.992 -6.094 -2.351 1.00 0.00 N ATOM 1640 CA THR A 123 -27.957 -5.673 -3.356 1.00 0.00 C ATOM 1641 C THR A 123 -29.179 -5.137 -2.665 1.00 0.00 C ATOM 1642 O THR A 123 -29.117 -4.741 -1.502 1.00 0.00 O ATOM 1643 CB THR A 123 -28.328 -6.831 -4.286 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.531 -7.970 -4.009 1.00 0.00 O ATOM 1645 CG2 THR A 123 -28.162 -6.498 -5.752 1.00 0.00 C ATOM 0 H THR A 123 -27.336 -6.822 -1.725 1.00 0.00 H new ATOM 0 HA THR A 123 -27.512 -4.891 -3.972 1.00 0.00 H new ATOM 0 HB THR A 123 -29.382 -7.031 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.783 -8.700 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 123 -28.442 -7.362 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.802 -5.654 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 123 -27.122 -6.238 -5.951 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.283 -5.092 -3.370 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.470 -4.530 -2.794 1.00 0.00 C ATOM 1655 C CYS A 124 -32.681 -4.775 -3.674 1.00 0.00 C ATOM 1656 O CYS A 124 -32.988 -4.000 -4.580 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.227 -3.050 -2.564 1.00 0.00 C ATOM 1658 SG CYS A 124 -32.326 -2.316 -1.325 1.00 0.00 S ATOM 0 H CYS A 124 -30.380 -5.432 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.687 -5.014 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.193 -2.905 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.352 -2.519 -3.508 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.350 -5.883 -3.398 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.524 -6.287 -4.148 1.00 0.00 C ATOM 1665 C GLN A 125 -35.743 -6.364 -3.243 1.00 0.00 C ATOM 1666 O GLN A 125 -35.646 -6.169 -2.031 1.00 0.00 O ATOM 1667 CB GLN A 125 -34.279 -7.647 -4.805 1.00 0.00 C ATOM 1668 CG GLN A 125 -33.553 -7.552 -6.136 1.00 0.00 C ATOM 1669 CD GLN A 125 -32.844 -8.839 -6.510 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -33.451 -9.759 -7.058 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -31.551 -8.909 -6.216 1.00 0.00 N ATOM 0 H GLN A 125 -33.093 -6.525 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.713 -5.541 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.697 -8.271 -4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -35.236 -8.147 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -34.268 -7.296 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.826 -6.741 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.088 -8.122 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.021 -9.750 -6.445 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.886 -6.656 -3.840 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.132 -6.765 -3.095 1.00 0.00 C ATOM 1682 C ILE A 126 -38.381 -8.207 -2.661 1.00 0.00 C ATOM 1683 O ILE A 126 -39.319 -8.855 -3.127 1.00 0.00 O ATOM 1684 CB ILE A 126 -39.325 -6.258 -3.932 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -39.138 -4.781 -4.259 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.642 -6.479 -3.200 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.172 -3.881 -3.044 1.00 0.00 C ATOM 0 H ILE A 126 -36.979 -6.823 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.039 -6.140 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 126 -39.361 -6.827 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -38.185 -4.649 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.919 -4.470 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.465 -6.112 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -40.778 -7.543 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.627 -5.940 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.032 -2.845 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.134 -3.983 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.374 -4.165 -2.358 1.00 0.00 H new