USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 830 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 66 TYR OH : rot 180:sc= -1.35 USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= -3.26 (180deg=-3.26) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 14 GLN : amide:sc= -0.978 K(o=-0.98,f=-3.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 19 SER OG : rot 177:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -157:sc= -2.02 (180deg=-3.67!) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0777) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -170:sc= 0.00558 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= -1.1 (180deg=-3.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= -0.0022 (180deg=-0.069) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.352) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.634 F(o=-2.1,f=-0.63) USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= -0.688 (180deg=-2.02!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.795 X(o=-0.79,f=-0.81) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.48! C(o=-1.5!,f=-8.1!) USER MOD Single : A 79 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.22) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -126:sc= -0.112 (180deg=-0.714) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.551 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -0.0637 F(o=-1.5,f=-0.064) USER MOD Single : A 98 MET CE :methyl -147:sc= 0 (180deg=-0.0346) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.996 15.777 1.257 1.00 0.00 N ATOM 78 CA ALA A 9 -7.817 14.953 1.017 1.00 0.00 C ATOM 79 C ALA A 9 -7.752 13.789 1.999 1.00 0.00 C ATOM 80 O ALA A 9 -7.742 12.625 1.598 1.00 0.00 O ATOM 81 CB ALA A 9 -6.555 15.798 1.111 1.00 0.00 C ATOM 0 HA ALA A 9 -7.890 14.541 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.683 15.170 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.592 16.592 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.485 16.238 2.106 1.00 0.00 H new ATOM 87 N ASP A 10 -7.707 14.110 3.287 1.00 0.00 N ATOM 88 CA ASP A 10 -7.642 13.090 4.328 1.00 0.00 C ATOM 89 C ASP A 10 -8.581 11.931 4.010 1.00 0.00 C ATOM 90 O ASP A 10 -8.166 10.772 3.990 1.00 0.00 O ATOM 91 CB ASP A 10 -8.000 13.695 5.687 1.00 0.00 C ATOM 92 CG ASP A 10 -7.358 15.051 5.904 1.00 0.00 C ATOM 93 OD1 ASP A 10 -6.168 15.207 5.558 1.00 0.00 O ATOM 94 OD2 ASP A 10 -8.046 15.957 6.419 1.00 0.00 O ATOM 0 H ASP A 10 -7.714 15.068 3.636 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.622 12.708 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.083 13.792 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.684 13.016 6.479 1.00 0.00 H new ATOM 99 N GLN A 11 -9.847 12.251 3.765 1.00 0.00 N ATOM 100 CA GLN A 11 -10.845 11.235 3.451 1.00 0.00 C ATOM 101 C GLN A 11 -10.419 10.410 2.240 1.00 0.00 C ATOM 102 O GLN A 11 -10.519 9.183 2.247 1.00 0.00 O ATOM 103 CB GLN A 11 -12.203 11.887 3.186 1.00 0.00 C ATOM 104 CG GLN A 11 -13.015 12.134 4.447 1.00 0.00 C ATOM 105 CD GLN A 11 -14.335 12.825 4.165 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.844 12.783 3.045 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.897 13.466 5.183 1.00 0.00 N ATOM 0 H GLN A 11 -10.206 13.206 3.778 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.931 10.569 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.047 12.836 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.777 11.251 2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.206 11.183 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.431 12.742 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.440 13.475 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.786 13.949 5.053 1.00 0.00 H new ATOM 116 N ILE A 12 -9.945 11.092 1.203 1.00 0.00 N ATOM 117 CA ILE A 12 -9.504 10.422 -0.014 1.00 0.00 C ATOM 118 C ILE A 12 -8.435 9.378 0.290 1.00 0.00 C ATOM 119 O ILE A 12 -8.648 8.181 0.096 1.00 0.00 O ATOM 120 CB ILE A 12 -8.947 11.427 -1.039 1.00 0.00 C ATOM 121 CG1 ILE A 12 -10.049 12.384 -1.498 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.347 10.693 -2.229 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.526 13.608 -2.217 1.00 0.00 C ATOM 0 H ILE A 12 -9.857 12.108 1.181 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.379 9.930 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.160 12.011 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.732 11.849 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.628 12.702 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.958 11.417 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.537 10.048 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.116 10.087 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.362 14.241 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.866 14.166 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.972 13.300 -3.104 1.00 0.00 H new ATOM 135 N ARG A 13 -7.284 9.839 0.770 1.00 0.00 N ATOM 136 CA ARG A 13 -6.181 8.945 1.102 1.00 0.00 C ATOM 137 C ARG A 13 -6.669 7.769 1.942 1.00 0.00 C ATOM 138 O ARG A 13 -6.311 6.620 1.685 1.00 0.00 O ATOM 139 CB ARG A 13 -5.089 9.706 1.855 1.00 0.00 C ATOM 140 CG ARG A 13 -4.592 10.942 1.123 1.00 0.00 C ATOM 141 CD ARG A 13 -3.604 11.731 1.968 1.00 0.00 C ATOM 142 NE ARG A 13 -4.167 12.103 3.264 1.00 0.00 N ATOM 143 CZ ARG A 13 -4.146 11.311 4.329 1.00 0.00 C ATOM 144 NH1 ARG A 13 -3.592 10.108 4.255 1.00 0.00 N ATOM 145 NH2 ARG A 13 -4.678 11.721 5.473 1.00 0.00 N ATOM 0 H ARG A 13 -7.091 10.827 0.938 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.767 8.557 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.472 10.002 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.248 9.036 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.117 10.646 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.439 11.577 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.703 11.137 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.305 12.631 1.431 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.600 13.022 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.180 9.789 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.578 9.502 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.104 12.646 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.661 11.111 6.291 1.00 0.00 H new ATOM 159 N GLN A 14 -7.487 8.066 2.947 1.00 0.00 N ATOM 160 CA GLN A 14 -8.023 7.032 3.826 1.00 0.00 C ATOM 161 C GLN A 14 -8.758 5.963 3.024 1.00 0.00 C ATOM 162 O GLN A 14 -8.465 4.773 3.144 1.00 0.00 O ATOM 163 CB GLN A 14 -8.966 7.651 4.859 1.00 0.00 C ATOM 164 CG GLN A 14 -9.512 6.647 5.862 1.00 0.00 C ATOM 165 CD GLN A 14 -10.778 5.969 5.379 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.448 6.455 4.468 1.00 0.00 O ATOM 167 NE2 GLN A 14 -11.114 4.838 5.989 1.00 0.00 N ATOM 0 H GLN A 14 -7.793 9.012 3.173 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.187 6.561 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.437 8.438 5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.800 8.124 4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.753 5.891 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.714 7.155 6.805 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.530 4.470 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.956 4.337 5.707 1.00 0.00 H new ATOM 176 N SER A 15 -9.713 6.395 2.207 1.00 0.00 N ATOM 177 CA SER A 15 -10.493 5.474 1.388 1.00 0.00 C ATOM 178 C SER A 15 -9.580 4.512 0.634 1.00 0.00 C ATOM 179 O SER A 15 -9.835 3.309 0.581 1.00 0.00 O ATOM 180 CB SER A 15 -11.363 6.250 0.398 1.00 0.00 C ATOM 181 OG SER A 15 -12.441 5.456 -0.065 1.00 0.00 O ATOM 0 H SER A 15 -9.965 7.377 2.094 1.00 0.00 H new ATOM 0 HA SER A 15 -11.137 4.894 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.749 7.150 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.756 6.574 -0.448 1.00 0.00 H new ATOM 0 HG SER A 15 -12.983 5.975 -0.695 1.00 0.00 H new ATOM 187 N VAL A 16 -8.514 5.051 0.051 1.00 0.00 N ATOM 188 CA VAL A 16 -7.562 4.241 -0.700 1.00 0.00 C ATOM 189 C VAL A 16 -7.168 2.992 0.080 1.00 0.00 C ATOM 190 O VAL A 16 -7.116 1.893 -0.474 1.00 0.00 O ATOM 191 CB VAL A 16 -6.291 5.042 -1.041 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.274 4.156 -1.744 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.637 6.252 -1.896 1.00 0.00 C ATOM 0 H VAL A 16 -8.288 6.045 0.084 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.057 3.947 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.847 5.398 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.383 4.739 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.004 3.325 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.705 3.768 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.727 6.806 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.106 5.921 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.326 6.897 -1.351 1.00 0.00 H new ATOM 203 N ARG A 17 -6.893 3.167 1.368 1.00 0.00 N ATOM 204 CA ARG A 17 -6.503 2.053 2.224 1.00 0.00 C ATOM 205 C ARG A 17 -7.546 0.941 2.177 1.00 0.00 C ATOM 206 O ARG A 17 -7.270 -0.163 1.706 1.00 0.00 O ATOM 207 CB ARG A 17 -6.316 2.531 3.665 1.00 0.00 C ATOM 208 CG ARG A 17 -5.215 3.567 3.826 1.00 0.00 C ATOM 209 CD ARG A 17 -4.598 3.513 5.214 1.00 0.00 C ATOM 210 NE ARG A 17 -3.671 4.619 5.445 1.00 0.00 N ATOM 211 CZ ARG A 17 -4.061 5.863 5.696 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.352 6.160 5.748 1.00 0.00 N ATOM 213 NH2 ARG A 17 -3.158 6.815 5.895 1.00 0.00 N ATOM 0 H ARG A 17 -6.933 4.069 1.842 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.557 1.657 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.255 2.953 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.090 1.672 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.442 3.398 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.621 4.562 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.389 3.540 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.072 2.567 5.340 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.670 4.425 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.049 5.432 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.648 7.117 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.164 6.591 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.458 7.771 6.088 1.00 0.00 H new ATOM 227 N HIS A 18 -8.744 1.238 2.670 1.00 0.00 N ATOM 228 CA HIS A 18 -9.829 0.263 2.684 1.00 0.00 C ATOM 229 C HIS A 18 -9.947 -0.437 1.333 1.00 0.00 C ATOM 230 O HIS A 18 -9.954 -1.666 1.259 1.00 0.00 O ATOM 231 CB HIS A 18 -11.151 0.945 3.036 1.00 0.00 C ATOM 232 CG HIS A 18 -12.332 0.025 2.983 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.488 0.323 2.293 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.531 -1.193 3.538 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.347 -0.671 2.427 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.791 -1.604 3.178 1.00 0.00 N ATOM 0 H HIS A 18 -8.988 2.146 3.065 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.602 -0.486 3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.076 1.370 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.316 1.775 2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.829 -1.740 4.150 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.336 -0.714 1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.226 -2.486 3.447 1.00 0.00 H new ATOM 245 N SER A 19 -10.041 0.353 0.269 1.00 0.00 N ATOM 246 CA SER A 19 -10.164 -0.192 -1.079 1.00 0.00 C ATOM 247 C SER A 19 -9.097 -1.251 -1.336 1.00 0.00 C ATOM 248 O SER A 19 -9.409 -2.400 -1.653 1.00 0.00 O ATOM 249 CB SER A 19 -10.049 0.927 -2.116 1.00 0.00 C ATOM 250 OG SER A 19 -11.182 1.778 -2.076 1.00 0.00 O ATOM 0 H SER A 19 -10.034 1.372 0.313 1.00 0.00 H new ATOM 0 HA SER A 19 -11.144 -0.660 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.146 1.509 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.949 0.495 -3.112 1.00 0.00 H new ATOM 0 HG SER A 19 -11.060 2.515 -2.710 1.00 0.00 H new ATOM 256 N LEU A 20 -7.836 -0.857 -1.197 1.00 0.00 N ATOM 257 CA LEU A 20 -6.721 -1.772 -1.414 1.00 0.00 C ATOM 258 C LEU A 20 -6.918 -3.067 -0.632 1.00 0.00 C ATOM 259 O LEU A 20 -6.903 -4.158 -1.202 1.00 0.00 O ATOM 260 CB LEU A 20 -5.405 -1.110 -1.002 1.00 0.00 C ATOM 261 CG LEU A 20 -4.913 0.023 -1.903 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.712 0.718 -1.280 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.565 -0.508 -3.286 1.00 0.00 C ATOM 0 H LEU A 20 -7.560 0.089 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.683 -2.013 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.519 -0.720 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.632 -1.878 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.716 0.753 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.376 1.521 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.993 1.133 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.905 -0.002 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.217 0.312 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.779 -1.258 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.450 -0.959 -3.736 1.00 0.00 H new ATOM 275 N LYS A 21 -7.105 -2.939 0.677 1.00 0.00 N ATOM 276 CA LYS A 21 -7.309 -4.097 1.538 1.00 0.00 C ATOM 277 C LYS A 21 -8.456 -4.961 1.025 1.00 0.00 C ATOM 278 O LYS A 21 -8.379 -6.190 1.047 1.00 0.00 O ATOM 279 CB LYS A 21 -7.597 -3.648 2.973 1.00 0.00 C ATOM 280 CG LYS A 21 -7.600 -4.787 3.978 1.00 0.00 C ATOM 281 CD LYS A 21 -7.765 -4.276 5.399 1.00 0.00 C ATOM 282 CE LYS A 21 -9.190 -3.816 5.664 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.310 -3.104 6.967 1.00 0.00 N ATOM 0 H LYS A 21 -7.119 -2.043 1.165 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.396 -4.692 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.849 -2.913 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.565 -3.148 3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.409 -5.479 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.668 -5.347 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.499 -5.064 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.077 -3.449 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.514 -3.157 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.857 -4.678 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.296 -2.807 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.025 -3.741 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.693 -2.267 6.963 1.00 0.00 H new ATOM 297 N ASP A 22 -9.519 -4.312 0.562 1.00 0.00 N ATOM 298 CA ASP A 22 -10.681 -5.021 0.040 1.00 0.00 C ATOM 299 C ASP A 22 -10.260 -6.091 -0.963 1.00 0.00 C ATOM 300 O ASP A 22 -10.643 -7.255 -0.840 1.00 0.00 O ATOM 301 CB ASP A 22 -11.651 -4.039 -0.620 1.00 0.00 C ATOM 302 CG ASP A 22 -13.067 -4.576 -0.680 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.679 -4.757 0.394 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.564 -4.813 -1.800 1.00 0.00 O ATOM 0 H ASP A 22 -9.600 -3.295 0.538 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.183 -5.509 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.645 -3.100 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.307 -3.816 -1.630 1.00 0.00 H new ATOM 309 N ILE A 23 -9.472 -5.688 -1.953 1.00 0.00 N ATOM 310 CA ILE A 23 -8.999 -6.612 -2.977 1.00 0.00 C ATOM 311 C ILE A 23 -8.135 -7.711 -2.368 1.00 0.00 C ATOM 312 O ILE A 23 -8.429 -8.899 -2.512 1.00 0.00 O ATOM 313 CB ILE A 23 -8.190 -5.882 -4.065 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.124 -5.075 -4.970 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.382 -6.878 -4.882 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.395 -4.140 -5.909 1.00 0.00 C ATOM 0 H ILE A 23 -9.147 -4.728 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.883 -7.058 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.498 -5.193 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.733 -5.763 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.806 -4.494 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.816 -6.347 -5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.694 -7.413 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.056 -7.590 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.119 -3.601 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.807 -3.428 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.733 -4.717 -6.555 1.00 0.00 H new ATOM 328 N LEU A 24 -7.069 -7.308 -1.687 1.00 0.00 N ATOM 329 CA LEU A 24 -6.161 -8.259 -1.053 1.00 0.00 C ATOM 330 C LEU A 24 -6.919 -9.192 -0.114 1.00 0.00 C ATOM 331 O LEU A 24 -6.448 -10.283 0.206 1.00 0.00 O ATOM 332 CB LEU A 24 -5.070 -7.515 -0.282 1.00 0.00 C ATOM 333 CG LEU A 24 -4.200 -6.561 -1.101 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.397 -5.651 -0.185 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.276 -7.342 -2.024 1.00 0.00 C ATOM 0 H LEU A 24 -6.811 -6.329 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.698 -8.860 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.543 -6.946 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.420 -8.252 0.191 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.853 -5.940 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.784 -4.979 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.077 -5.066 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.753 -6.255 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.664 -6.647 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.630 -7.988 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.871 -7.951 -2.705 1.00 0.00 H new ATOM 347 N MET A 25 -8.095 -8.755 0.324 1.00 0.00 N ATOM 348 CA MET A 25 -8.920 -9.552 1.224 1.00 0.00 C ATOM 349 C MET A 25 -9.620 -10.677 0.468 1.00 0.00 C ATOM 350 O MET A 25 -9.736 -11.796 0.967 1.00 0.00 O ATOM 351 CB MET A 25 -9.956 -8.668 1.920 1.00 0.00 C ATOM 352 CG MET A 25 -9.460 -8.058 3.221 1.00 0.00 C ATOM 353 SD MET A 25 -9.800 -9.102 4.651 1.00 0.00 S ATOM 354 CE MET A 25 -8.148 -9.331 5.303 1.00 0.00 C ATOM 0 H MET A 25 -8.498 -7.853 0.070 1.00 0.00 H new ATOM 0 HA MET A 25 -8.267 -9.995 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.252 -7.867 1.242 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.849 -9.260 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.386 -7.884 3.150 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.932 -7.086 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.117 -10.239 5.905 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.440 -9.418 4.479 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.880 -8.476 5.923 1.00 0.00 H new ATOM 364 N LYS A 26 -10.084 -10.372 -0.739 1.00 0.00 N ATOM 365 CA LYS A 26 -10.772 -11.357 -1.566 1.00 0.00 C ATOM 366 C LYS A 26 -9.774 -12.195 -2.357 1.00 0.00 C ATOM 367 O LYS A 26 -10.081 -13.312 -2.775 1.00 0.00 O ATOM 368 CB LYS A 26 -11.742 -10.661 -2.523 1.00 0.00 C ATOM 369 CG LYS A 26 -12.176 -11.532 -3.689 1.00 0.00 C ATOM 370 CD LYS A 26 -11.243 -11.376 -4.879 1.00 0.00 C ATOM 371 CE LYS A 26 -11.648 -10.200 -5.754 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.256 -10.405 -7.176 1.00 0.00 N ATOM 0 H LYS A 26 -9.996 -9.450 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.334 -12.019 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.625 -10.347 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.271 -9.758 -2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.197 -12.576 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.191 -11.267 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.222 -11.233 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.251 -12.291 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.727 -10.056 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.182 -9.289 -5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.280 -9.494 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.294 -10.798 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.920 -11.066 -7.627 1.00 0.00 H new ATOM 386 N ARG A 27 -8.579 -11.650 -2.559 1.00 0.00 N ATOM 387 CA ARG A 27 -7.536 -12.349 -3.300 1.00 0.00 C ATOM 388 C ARG A 27 -6.783 -13.319 -2.395 1.00 0.00 C ATOM 389 O ARG A 27 -6.177 -14.283 -2.867 1.00 0.00 O ATOM 390 CB ARG A 27 -6.558 -11.345 -3.915 1.00 0.00 C ATOM 391 CG ARG A 27 -7.206 -10.393 -4.907 1.00 0.00 C ATOM 392 CD ARG A 27 -7.486 -11.078 -6.235 1.00 0.00 C ATOM 393 NE ARG A 27 -6.270 -11.263 -7.022 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.234 -11.920 -8.176 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.342 -12.452 -8.675 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.089 -12.046 -8.834 1.00 0.00 N ATOM 0 H ARG A 27 -8.309 -10.727 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.012 -12.919 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.096 -10.765 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.758 -11.890 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.138 -10.010 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.553 -9.535 -5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.951 -12.047 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.200 -10.485 -6.806 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.400 -10.866 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.224 -12.357 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.311 -12.956 -9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.235 -11.638 -8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.063 -12.551 -9.720 1.00 0.00 H new ATOM 410 N LEU A 28 -6.824 -13.059 -1.093 1.00 0.00 N ATOM 411 CA LEU A 28 -6.145 -13.909 -0.121 1.00 0.00 C ATOM 412 C LEU A 28 -7.082 -14.992 0.404 1.00 0.00 C ATOM 413 O LEU A 28 -6.666 -16.126 0.643 1.00 0.00 O ATOM 414 CB LEU A 28 -5.619 -13.067 1.043 1.00 0.00 C ATOM 415 CG LEU A 28 -6.607 -12.800 2.179 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.771 -14.039 3.045 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.147 -11.617 3.019 1.00 0.00 C ATOM 0 H LEU A 28 -7.320 -12.266 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.306 -14.392 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.744 -13.566 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.282 -12.108 0.649 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.576 -12.555 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.478 -13.831 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.146 -14.861 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.807 -14.314 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.862 -11.441 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.167 -11.833 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.082 -10.728 2.391 1.00 0.00 H new ATOM 429 N THR A 29 -8.351 -14.636 0.579 1.00 0.00 N ATOM 430 CA THR A 29 -9.348 -15.577 1.074 1.00 0.00 C ATOM 431 C THR A 29 -9.644 -16.658 0.040 1.00 0.00 C ATOM 432 O THR A 29 -9.958 -17.796 0.391 1.00 0.00 O ATOM 433 CB THR A 29 -10.661 -14.862 1.442 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.508 -15.745 2.187 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.389 -14.388 0.193 1.00 0.00 C ATOM 0 H THR A 29 -8.713 -13.702 0.385 1.00 0.00 H new ATOM 0 HA THR A 29 -8.931 -16.038 1.969 1.00 0.00 H new ATOM 0 HB THR A 29 -10.416 -13.993 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.340 -15.282 2.418 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.313 -13.886 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.754 -13.693 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.622 -15.245 -0.439 1.00 0.00 H new ATOM 443 N ASP A 30 -9.541 -16.296 -1.234 1.00 0.00 N ATOM 444 CA ASP A 30 -9.797 -17.236 -2.319 1.00 0.00 C ATOM 445 C ASP A 30 -8.602 -18.161 -2.528 1.00 0.00 C ATOM 446 O ASP A 30 -8.731 -19.384 -2.463 1.00 0.00 O ATOM 447 CB ASP A 30 -10.107 -16.483 -3.613 1.00 0.00 C ATOM 448 CG ASP A 30 -10.837 -17.345 -4.624 1.00 0.00 C ATOM 449 OD1 ASP A 30 -12.052 -17.569 -4.445 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.192 -17.796 -5.594 1.00 0.00 O ATOM 0 H ASP A 30 -9.282 -15.358 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.661 -17.842 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.712 -15.606 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.177 -16.122 -4.052 1.00 0.00 H new ATOM 455 N SER A 31 -7.439 -17.569 -2.781 1.00 0.00 N ATOM 456 CA SER A 31 -6.221 -18.340 -3.005 1.00 0.00 C ATOM 457 C SER A 31 -5.972 -19.309 -1.853 1.00 0.00 C ATOM 458 O SER A 31 -6.767 -19.397 -0.919 1.00 0.00 O ATOM 459 CB SER A 31 -5.022 -17.404 -3.168 1.00 0.00 C ATOM 460 OG SER A 31 -4.015 -18.000 -3.966 1.00 0.00 O ATOM 0 H SER A 31 -7.314 -16.558 -2.836 1.00 0.00 H new ATOM 0 HA SER A 31 -6.349 -18.917 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.346 -16.469 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.614 -17.156 -2.188 1.00 0.00 H new ATOM 0 HG SER A 31 -3.201 -17.455 -3.926 1.00 0.00 H new ATOM 466 N ASN A 32 -4.862 -20.036 -1.929 1.00 0.00 N ATOM 467 CA ASN A 32 -4.507 -20.999 -0.894 1.00 0.00 C ATOM 468 C ASN A 32 -3.675 -20.339 0.202 1.00 0.00 C ATOM 469 O ASN A 32 -2.664 -20.886 0.644 1.00 0.00 O ATOM 470 CB ASN A 32 -3.732 -22.170 -1.502 1.00 0.00 C ATOM 471 CG ASN A 32 -4.409 -22.733 -2.737 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.475 -23.342 -2.650 1.00 0.00 O ATOM 473 ND2 ASN A 32 -3.791 -22.531 -3.895 1.00 0.00 N ATOM 0 H ASN A 32 -4.193 -19.976 -2.697 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.429 -21.373 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.726 -21.841 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.627 -22.959 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.199 -22.887 -4.760 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.908 -22.020 -3.920 1.00 0.00 H new ATOM 480 N LEU A 33 -4.108 -19.161 0.636 1.00 0.00 N ATOM 481 CA LEU A 33 -3.405 -18.425 1.681 1.00 0.00 C ATOM 482 C LEU A 33 -4.160 -18.505 3.005 1.00 0.00 C ATOM 483 O LEU A 33 -5.368 -18.740 3.030 1.00 0.00 O ATOM 484 CB LEU A 33 -3.226 -16.963 1.270 1.00 0.00 C ATOM 485 CG LEU A 33 -2.098 -16.678 0.278 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.311 -15.335 -0.402 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.748 -16.715 0.980 1.00 0.00 C ATOM 0 H LEU A 33 -4.943 -18.695 0.281 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.424 -18.881 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.162 -16.611 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.050 -16.373 2.169 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.108 -17.454 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.498 -15.150 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.259 -15.346 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.328 -14.545 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.043 -16.510 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.726 -15.961 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.593 -17.701 1.418 1.00 0.00 H new ATOM 499 N LYS A 34 -3.439 -18.304 4.103 1.00 0.00 N ATOM 500 CA LYS A 34 -4.040 -18.349 5.431 1.00 0.00 C ATOM 501 C LYS A 34 -3.603 -17.150 6.267 1.00 0.00 C ATOM 502 O LYS A 34 -3.806 -17.120 7.481 1.00 0.00 O ATOM 503 CB LYS A 34 -3.656 -19.648 6.143 1.00 0.00 C ATOM 504 CG LYS A 34 -2.156 -19.843 6.287 1.00 0.00 C ATOM 505 CD LYS A 34 -1.575 -20.589 5.098 1.00 0.00 C ATOM 506 CE LYS A 34 -0.113 -20.232 4.877 1.00 0.00 C ATOM 507 NZ LYS A 34 0.557 -21.184 3.949 1.00 0.00 N ATOM 0 H LYS A 34 -2.438 -18.108 4.100 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.123 -18.312 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.112 -19.658 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.072 -20.491 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.669 -18.872 6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.946 -20.396 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.668 -21.663 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.148 -20.351 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.043 -19.222 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.409 -20.230 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.551 -20.906 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.513 -22.144 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.075 -21.168 3.027 1.00 0.00 H new ATOM 521 N VAL A 35 -3.002 -16.164 5.609 1.00 0.00 N ATOM 522 CA VAL A 35 -2.539 -14.961 6.291 1.00 0.00 C ATOM 523 C VAL A 35 -3.676 -14.286 7.049 1.00 0.00 C ATOM 524 O VAL A 35 -4.837 -14.325 6.640 1.00 0.00 O ATOM 525 CB VAL A 35 -1.928 -13.953 5.299 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.869 -14.625 4.439 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.014 -13.333 4.434 1.00 0.00 C ATOM 0 H VAL A 35 -2.824 -16.174 4.605 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.771 -15.274 6.998 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.448 -13.156 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.449 -13.897 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.077 -15.017 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.321 -15.443 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.565 -12.623 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.524 -14.116 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.733 -12.814 5.068 1.00 0.00 H new ATOM 537 N PRO A 36 -3.338 -13.650 8.181 1.00 0.00 N ATOM 538 CA PRO A 36 -4.317 -12.953 9.020 1.00 0.00 C ATOM 539 C PRO A 36 -4.855 -11.690 8.355 1.00 0.00 C ATOM 540 O PRO A 36 -4.284 -11.199 7.382 1.00 0.00 O ATOM 541 CB PRO A 36 -3.519 -12.598 10.276 1.00 0.00 C ATOM 542 CG PRO A 36 -2.102 -12.537 9.820 1.00 0.00 C ATOM 543 CD PRO A 36 -1.974 -13.563 8.728 1.00 0.00 C ATOM 0 HA PRO A 36 -5.196 -13.567 9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.842 -11.644 10.694 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.652 -13.349 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.853 -11.542 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.418 -12.753 10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.255 -13.254 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.635 -14.523 9.116 1.00 0.00 H new ATOM 551 N GLU A 37 -5.956 -11.170 8.888 1.00 0.00 N ATOM 552 CA GLU A 37 -6.570 -9.964 8.345 1.00 0.00 C ATOM 553 C GLU A 37 -5.658 -8.755 8.535 1.00 0.00 C ATOM 554 O GLU A 37 -5.767 -7.763 7.816 1.00 0.00 O ATOM 555 CB GLU A 37 -7.922 -9.706 9.015 1.00 0.00 C ATOM 556 CG GLU A 37 -8.391 -8.266 8.904 1.00 0.00 C ATOM 557 CD GLU A 37 -7.861 -7.391 10.024 1.00 0.00 C ATOM 558 OE1 GLU A 37 -7.988 -7.791 11.200 1.00 0.00 O ATOM 559 OE2 GLU A 37 -7.318 -6.307 9.723 1.00 0.00 O ATOM 0 H GLU A 37 -6.441 -11.564 9.694 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.725 -10.117 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.671 -10.359 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.853 -9.977 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.071 -7.857 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.481 -8.241 8.913 1.00 0.00 H new ATOM 566 N GLU A 38 -4.759 -8.848 9.510 1.00 0.00 N ATOM 567 CA GLU A 38 -3.828 -7.762 9.796 1.00 0.00 C ATOM 568 C GLU A 38 -2.822 -7.594 8.661 1.00 0.00 C ATOM 569 O GLU A 38 -2.274 -6.511 8.457 1.00 0.00 O ATOM 570 CB GLU A 38 -3.091 -8.025 11.111 1.00 0.00 C ATOM 571 CG GLU A 38 -1.986 -7.024 11.400 1.00 0.00 C ATOM 572 CD GLU A 38 -2.520 -5.690 11.884 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.614 -5.290 11.433 1.00 0.00 O ATOM 574 OE2 GLU A 38 -1.844 -5.045 12.713 1.00 0.00 O ATOM 0 H GLU A 38 -4.656 -9.663 10.115 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.403 -6.840 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.810 -8.007 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.664 -9.027 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.314 -7.437 12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.396 -6.869 10.497 1.00 0.00 H new ATOM 581 N LYS A 39 -2.585 -8.675 7.925 1.00 0.00 N ATOM 582 CA LYS A 39 -1.646 -8.649 6.810 1.00 0.00 C ATOM 583 C LYS A 39 -2.078 -7.633 5.758 1.00 0.00 C ATOM 584 O LYS A 39 -1.425 -6.607 5.568 1.00 0.00 O ATOM 585 CB LYS A 39 -1.536 -10.039 6.177 1.00 0.00 C ATOM 586 CG LYS A 39 -0.747 -10.055 4.879 1.00 0.00 C ATOM 587 CD LYS A 39 0.733 -10.290 5.130 1.00 0.00 C ATOM 588 CE LYS A 39 1.479 -8.979 5.327 1.00 0.00 C ATOM 589 NZ LYS A 39 2.791 -9.184 6.001 1.00 0.00 N ATOM 0 H LYS A 39 -3.030 -9.579 8.081 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.670 -8.353 7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.063 -10.717 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.538 -10.423 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.135 -10.837 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.883 -9.107 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.859 -10.918 6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.164 -10.833 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.638 -8.503 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.868 -8.299 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.269 -8.267 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.638 -9.615 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.384 -9.813 5.422 1.00 0.00 H new ATOM 603 N ALA A 40 -3.182 -7.924 5.078 1.00 0.00 N ATOM 604 CA ALA A 40 -3.702 -7.034 4.048 1.00 0.00 C ATOM 605 C ALA A 40 -3.714 -5.586 4.529 1.00 0.00 C ATOM 606 O ALA A 40 -3.088 -4.717 3.924 1.00 0.00 O ATOM 607 CB ALA A 40 -5.101 -7.466 3.635 1.00 0.00 C ATOM 0 H ALA A 40 -3.734 -8.770 5.222 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.043 -7.097 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.477 -6.792 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.067 -8.482 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.762 -7.433 4.501 1.00 0.00 H new ATOM 613 N ALA A 41 -4.430 -5.336 5.620 1.00 0.00 N ATOM 614 CA ALA A 41 -4.522 -3.994 6.182 1.00 0.00 C ATOM 615 C ALA A 41 -3.138 -3.380 6.365 1.00 0.00 C ATOM 616 O ALA A 41 -2.883 -2.258 5.927 1.00 0.00 O ATOM 617 CB ALA A 41 -5.267 -4.027 7.508 1.00 0.00 C ATOM 0 H ALA A 41 -4.955 -6.045 6.132 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.078 -3.370 5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.328 -3.018 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.273 -4.416 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.734 -4.670 8.209 1.00 0.00 H new ATOM 623 N LYS A 42 -2.248 -4.121 7.016 1.00 0.00 N ATOM 624 CA LYS A 42 -0.890 -3.650 7.257 1.00 0.00 C ATOM 625 C LYS A 42 -0.225 -3.216 5.954 1.00 0.00 C ATOM 626 O LYS A 42 0.416 -2.167 5.893 1.00 0.00 O ATOM 627 CB LYS A 42 -0.058 -4.748 7.924 1.00 0.00 C ATOM 628 CG LYS A 42 -0.125 -4.724 9.442 1.00 0.00 C ATOM 629 CD LYS A 42 0.895 -5.665 10.060 1.00 0.00 C ATOM 630 CE LYS A 42 1.137 -5.340 11.526 1.00 0.00 C ATOM 631 NZ LYS A 42 2.445 -5.868 12.002 1.00 0.00 N ATOM 0 H LYS A 42 -2.443 -5.051 7.386 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.944 -2.788 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.402 -5.719 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.981 -4.644 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.052 -3.709 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.126 -5.007 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.546 -6.693 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.834 -5.596 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.108 -4.260 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.333 -5.763 12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.573 -5.626 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.464 -6.902 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.214 -5.446 11.443 1.00 0.00 H new ATOM 645 N VAL A 43 -0.384 -4.028 4.914 1.00 0.00 N ATOM 646 CA VAL A 43 0.198 -3.726 3.612 1.00 0.00 C ATOM 647 C VAL A 43 -0.380 -2.438 3.037 1.00 0.00 C ATOM 648 O VAL A 43 0.351 -1.489 2.754 1.00 0.00 O ATOM 649 CB VAL A 43 -0.038 -4.873 2.612 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.297 -4.426 1.197 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.780 -6.095 3.001 1.00 0.00 C ATOM 0 H VAL A 43 -0.911 -4.900 4.948 1.00 0.00 H new ATOM 0 HA VAL A 43 1.270 -3.603 3.766 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.093 -5.145 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.124 -5.250 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.336 -3.582 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.344 -4.125 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.601 -6.896 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.839 -5.838 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.486 -6.427 3.997 1.00 0.00 H new ATOM 661 N ALA A 44 -1.698 -2.412 2.867 1.00 0.00 N ATOM 662 CA ALA A 44 -2.375 -1.239 2.328 1.00 0.00 C ATOM 663 C ALA A 44 -1.931 0.030 3.047 1.00 0.00 C ATOM 664 O ALA A 44 -1.618 1.039 2.413 1.00 0.00 O ATOM 665 CB ALA A 44 -3.884 -1.407 2.433 1.00 0.00 C ATOM 0 H ALA A 44 -2.318 -3.190 3.095 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.103 -1.143 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.378 -0.524 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.192 -2.287 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.164 -1.531 3.479 1.00 0.00 H new ATOM 671 N THR A 45 -1.906 -0.025 4.375 1.00 0.00 N ATOM 672 CA THR A 45 -1.502 1.121 5.180 1.00 0.00 C ATOM 673 C THR A 45 -0.085 1.563 4.836 1.00 0.00 C ATOM 674 O THR A 45 0.302 2.702 5.095 1.00 0.00 O ATOM 675 CB THR A 45 -1.577 0.804 6.686 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.942 0.814 7.121 1.00 0.00 O ATOM 677 CG2 THR A 45 -0.775 1.814 7.492 1.00 0.00 C ATOM 0 H THR A 45 -2.161 -0.851 4.916 1.00 0.00 H new ATOM 0 HA THR A 45 -2.197 1.929 4.951 1.00 0.00 H new ATOM 0 HB THR A 45 -1.151 -0.186 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.982 0.610 8.079 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.843 1.570 8.552 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.269 1.783 7.179 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.175 2.814 7.324 1.00 0.00 H new ATOM 685 N LYS A 46 0.687 0.654 4.248 1.00 0.00 N ATOM 686 CA LYS A 46 2.062 0.950 3.866 1.00 0.00 C ATOM 687 C LYS A 46 2.129 1.465 2.431 1.00 0.00 C ATOM 688 O LYS A 46 3.134 2.042 2.015 1.00 0.00 O ATOM 689 CB LYS A 46 2.934 -0.299 4.011 1.00 0.00 C ATOM 690 CG LYS A 46 3.316 -0.610 5.448 1.00 0.00 C ATOM 691 CD LYS A 46 3.923 -1.997 5.576 1.00 0.00 C ATOM 692 CE LYS A 46 4.201 -2.352 7.028 1.00 0.00 C ATOM 693 NZ LYS A 46 5.422 -1.672 7.541 1.00 0.00 N ATOM 0 H LYS A 46 0.383 -0.294 4.026 1.00 0.00 H new ATOM 0 HA LYS A 46 2.438 1.727 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.403 -1.154 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.842 -0.168 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.028 0.134 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.434 -0.538 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.245 -2.733 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.850 -2.044 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.344 -2.071 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.320 -3.431 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.577 -1.940 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.244 -1.959 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.299 -0.641 7.476 1.00 0.00 H new ATOM 707 N ILE A 47 1.053 1.255 1.681 1.00 0.00 N ATOM 708 CA ILE A 47 0.989 1.700 0.295 1.00 0.00 C ATOM 709 C ILE A 47 0.860 3.217 0.211 1.00 0.00 C ATOM 710 O ILE A 47 1.650 3.880 -0.461 1.00 0.00 O ATOM 711 CB ILE A 47 -0.193 1.054 -0.451 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.136 -0.470 -0.318 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.184 1.464 -1.916 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.055 -1.092 -1.013 1.00 0.00 C ATOM 0 H ILE A 47 0.213 0.779 2.010 1.00 0.00 H new ATOM 0 HA ILE A 47 1.920 1.389 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.122 1.405 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.108 -0.734 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.051 -0.897 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.026 0.999 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.267 2.548 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.748 1.139 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.031 -2.173 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.018 -0.859 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.975 -0.693 -0.586 1.00 0.00 H new ATOM 726 N GLU A 48 -0.140 3.760 0.898 1.00 0.00 N ATOM 727 CA GLU A 48 -0.371 5.200 0.901 1.00 0.00 C ATOM 728 C GLU A 48 0.802 5.938 1.541 1.00 0.00 C ATOM 729 O GLU A 48 1.417 6.805 0.922 1.00 0.00 O ATOM 730 CB GLU A 48 -1.664 5.530 1.649 1.00 0.00 C ATOM 731 CG GLU A 48 -2.916 5.025 0.952 1.00 0.00 C ATOM 732 CD GLU A 48 -2.811 3.568 0.546 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.145 2.696 1.376 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.394 3.298 -0.600 1.00 0.00 O ATOM 0 H GLU A 48 -0.803 3.225 1.459 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.464 5.529 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.616 5.098 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.737 6.611 1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.772 5.153 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.104 5.632 0.067 1.00 0.00 H new ATOM 741 N LYS A 49 1.105 5.587 2.787 1.00 0.00 N ATOM 742 CA LYS A 49 2.204 6.214 3.513 1.00 0.00 C ATOM 743 C LYS A 49 3.393 6.463 2.591 1.00 0.00 C ATOM 744 O LYS A 49 4.162 7.401 2.795 1.00 0.00 O ATOM 745 CB LYS A 49 2.632 5.334 4.689 1.00 0.00 C ATOM 746 CG LYS A 49 3.717 4.332 4.336 1.00 0.00 C ATOM 747 CD LYS A 49 4.073 3.454 5.525 1.00 0.00 C ATOM 748 CE LYS A 49 4.716 4.262 6.641 1.00 0.00 C ATOM 749 NZ LYS A 49 3.698 4.911 7.513 1.00 0.00 N ATOM 0 H LYS A 49 0.605 4.872 3.315 1.00 0.00 H new ATOM 0 HA LYS A 49 1.855 7.174 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.988 5.972 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.762 4.797 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.381 3.707 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.606 4.862 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.174 2.965 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.755 2.666 5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.348 3.610 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.364 5.025 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.760 5.944 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.748 4.592 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.874 4.651 8.505 1.00 0.00 H new ATOM 763 N GLU A 50 3.536 5.616 1.575 1.00 0.00 N ATOM 764 CA GLU A 50 4.633 5.746 0.623 1.00 0.00 C ATOM 765 C GLU A 50 4.184 6.507 -0.622 1.00 0.00 C ATOM 766 O GLU A 50 4.916 7.346 -1.149 1.00 0.00 O ATOM 767 CB GLU A 50 5.161 4.366 0.228 1.00 0.00 C ATOM 768 CG GLU A 50 6.584 4.388 -0.304 1.00 0.00 C ATOM 769 CD GLU A 50 7.619 4.453 0.803 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.332 3.960 1.914 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.716 4.998 0.557 1.00 0.00 O ATOM 0 H GLU A 50 2.907 4.834 1.391 1.00 0.00 H new ATOM 0 HA GLU A 50 5.433 6.309 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.117 3.707 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.505 3.939 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.757 3.496 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.708 5.247 -0.964 1.00 0.00 H new ATOM 778 N LEU A 51 2.977 6.207 -1.088 1.00 0.00 N ATOM 779 CA LEU A 51 2.429 6.861 -2.272 1.00 0.00 C ATOM 780 C LEU A 51 2.228 8.353 -2.025 1.00 0.00 C ATOM 781 O LEU A 51 2.856 9.190 -2.673 1.00 0.00 O ATOM 782 CB LEU A 51 1.101 6.214 -2.668 1.00 0.00 C ATOM 783 CG LEU A 51 0.707 6.338 -4.140 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.444 5.305 -4.979 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.798 6.184 -4.303 1.00 0.00 C ATOM 0 H LEU A 51 2.359 5.515 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 51 3.142 6.739 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.145 5.155 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.310 6.656 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 51 0.991 7.330 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.151 5.409 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.519 5.461 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.191 4.304 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.061 6.275 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.105 5.205 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.307 6.962 -3.734 1.00 0.00 H new ATOM 797 N PHE A 52 1.348 8.678 -1.084 1.00 0.00 N ATOM 798 CA PHE A 52 1.065 10.069 -0.750 1.00 0.00 C ATOM 799 C PHE A 52 2.357 10.854 -0.546 1.00 0.00 C ATOM 800 O PHE A 52 2.384 12.076 -0.695 1.00 0.00 O ATOM 801 CB PHE A 52 0.203 10.148 0.511 1.00 0.00 C ATOM 802 CG PHE A 52 -0.110 11.554 0.937 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.782 12.416 0.086 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.268 12.013 2.188 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.072 13.711 0.474 1.00 0.00 C ATOM 806 CE2 PHE A 52 -0.020 13.306 2.582 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.689 14.156 1.724 1.00 0.00 C ATOM 0 H PHE A 52 0.819 7.997 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 52 0.519 10.512 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.731 9.613 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.716 9.636 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.083 12.072 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.793 11.353 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.597 14.373 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.278 13.651 3.561 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.912 15.167 2.030 1.00 0.00 H new ATOM 817 N SER A 53 3.427 10.143 -0.205 1.00 0.00 N ATOM 818 CA SER A 53 4.722 10.772 0.024 1.00 0.00 C ATOM 819 C SER A 53 5.476 10.957 -1.289 1.00 0.00 C ATOM 820 O SER A 53 5.956 12.049 -1.595 1.00 0.00 O ATOM 821 CB SER A 53 5.558 9.931 0.991 1.00 0.00 C ATOM 822 OG SER A 53 6.803 10.551 1.262 1.00 0.00 O ATOM 0 H SER A 53 3.422 9.131 -0.081 1.00 0.00 H new ATOM 0 HA SER A 53 4.548 11.754 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.009 9.789 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.726 8.942 0.565 1.00 0.00 H new ATOM 0 HG SER A 53 7.317 9.994 1.883 1.00 0.00 H new ATOM 828 N PHE A 54 5.577 9.881 -2.063 1.00 0.00 N ATOM 829 CA PHE A 54 6.273 9.922 -3.343 1.00 0.00 C ATOM 830 C PHE A 54 5.674 10.991 -4.253 1.00 0.00 C ATOM 831 O PHE A 54 6.366 11.564 -5.095 1.00 0.00 O ATOM 832 CB PHE A 54 6.205 8.556 -4.029 1.00 0.00 C ATOM 833 CG PHE A 54 7.011 8.481 -5.295 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.358 8.804 -5.295 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.421 8.085 -6.484 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.101 8.736 -6.458 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.159 8.015 -7.651 1.00 0.00 C ATOM 838 CZ PHE A 54 8.501 8.340 -7.637 1.00 0.00 C ATOM 0 H PHE A 54 5.185 8.970 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 54 7.316 10.174 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.559 7.792 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.165 8.323 -4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.833 9.113 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.372 7.828 -6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.150 8.992 -6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.687 7.707 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.080 8.285 -8.547 1.00 0.00 H new ATOM 848 N PHE A 55 4.383 11.253 -4.078 1.00 0.00 N ATOM 849 CA PHE A 55 3.690 12.252 -4.884 1.00 0.00 C ATOM 850 C PHE A 55 3.513 13.552 -4.105 1.00 0.00 C ATOM 851 O PHE A 55 3.536 14.640 -4.680 1.00 0.00 O ATOM 852 CB PHE A 55 2.326 11.721 -5.329 1.00 0.00 C ATOM 853 CG PHE A 55 2.400 10.780 -6.497 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.332 11.260 -7.795 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.539 9.416 -6.298 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.400 10.397 -8.873 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.608 8.549 -7.371 1.00 0.00 C ATOM 858 CZ PHE A 55 2.538 9.039 -8.660 1.00 0.00 C ATOM 0 H PHE A 55 3.796 10.788 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 55 4.298 12.457 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.853 11.210 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.685 12.563 -5.591 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.225 12.321 -7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.594 9.026 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.345 10.784 -9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.717 7.488 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.591 8.362 -9.500 1.00 0.00 H new ATOM 868 N ARG A 56 3.337 13.430 -2.794 1.00 0.00 N ATOM 869 CA ARG A 56 3.154 14.594 -1.935 1.00 0.00 C ATOM 870 C ARG A 56 1.978 15.442 -2.412 1.00 0.00 C ATOM 871 O ARG A 56 1.980 16.664 -2.263 1.00 0.00 O ATOM 872 CB ARG A 56 4.428 15.439 -1.909 1.00 0.00 C ATOM 873 CG ARG A 56 5.415 15.020 -0.831 1.00 0.00 C ATOM 874 CD ARG A 56 6.849 15.316 -1.243 1.00 0.00 C ATOM 875 NE ARG A 56 7.811 14.848 -0.249 1.00 0.00 N ATOM 876 CZ ARG A 56 8.094 15.509 0.868 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.490 16.659 1.132 1.00 0.00 N ATOM 878 NH2 ARG A 56 8.982 15.018 1.724 1.00 0.00 N ATOM 0 H ARG A 56 3.317 12.536 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 56 2.939 14.241 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.916 15.375 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.158 16.484 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.186 15.544 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.306 13.954 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.057 14.840 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.970 16.389 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 56 8.292 13.965 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.806 17.038 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.709 17.165 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.447 14.133 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.199 15.526 2.581 1.00 0.00 H new ATOM 892 N ASP A 57 0.976 14.785 -2.986 1.00 0.00 N ATOM 893 CA ASP A 57 -0.206 15.478 -3.485 1.00 0.00 C ATOM 894 C ASP A 57 -1.280 14.482 -3.911 1.00 0.00 C ATOM 895 O ASP A 57 -0.981 13.337 -4.252 1.00 0.00 O ATOM 896 CB ASP A 57 0.164 16.382 -4.661 1.00 0.00 C ATOM 897 CG ASP A 57 0.718 17.719 -4.212 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.073 18.376 -3.368 1.00 0.00 O ATOM 899 OD2 ASP A 57 1.798 18.109 -4.703 1.00 0.00 O ATOM 0 H ASP A 57 0.959 13.774 -3.117 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.605 16.092 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.902 15.878 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.718 16.547 -5.280 1.00 0.00 H new ATOM 904 N THR A 58 -2.534 14.925 -3.888 1.00 0.00 N ATOM 905 CA THR A 58 -3.653 14.072 -4.269 1.00 0.00 C ATOM 906 C THR A 58 -4.130 14.391 -5.681 1.00 0.00 C ATOM 907 O THR A 58 -5.307 14.226 -6.001 1.00 0.00 O ATOM 908 CB THR A 58 -4.834 14.226 -3.293 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.087 15.613 -3.045 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.547 13.515 -1.979 1.00 0.00 C ATOM 0 H THR A 58 -2.800 15.870 -3.609 1.00 0.00 H new ATOM 0 HA THR A 58 -3.294 13.043 -4.233 1.00 0.00 H new ATOM 0 HB THR A 58 -5.714 13.772 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.841 15.702 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.396 13.638 -1.306 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.384 12.454 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.655 13.943 -1.521 1.00 0.00 H new ATOM 918 N ASP A 59 -3.209 14.847 -6.523 1.00 0.00 N ATOM 919 CA ASP A 59 -3.536 15.187 -7.903 1.00 0.00 C ATOM 920 C ASP A 59 -3.835 13.931 -8.716 1.00 0.00 C ATOM 921 O ASP A 59 -3.605 12.813 -8.256 1.00 0.00 O ATOM 922 CB ASP A 59 -2.386 15.964 -8.546 1.00 0.00 C ATOM 923 CG ASP A 59 -2.273 17.378 -8.012 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.158 18.203 -8.323 1.00 0.00 O ATOM 925 OD2 ASP A 59 -1.300 17.661 -7.282 1.00 0.00 O ATOM 0 H ASP A 59 -2.230 14.990 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.428 15.814 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.450 15.435 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.533 15.997 -9.626 1.00 0.00 H new ATOM 930 N ALA A 60 -4.351 14.125 -9.926 1.00 0.00 N ATOM 931 CA ALA A 60 -4.681 13.008 -10.802 1.00 0.00 C ATOM 932 C ALA A 60 -3.527 12.014 -10.883 1.00 0.00 C ATOM 933 O ALA A 60 -3.740 10.802 -10.919 1.00 0.00 O ATOM 934 CB ALA A 60 -5.041 13.516 -12.191 1.00 0.00 C ATOM 0 H ALA A 60 -4.549 15.044 -10.321 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.543 12.490 -10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.285 12.671 -12.835 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.902 14.182 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.194 14.059 -12.610 1.00 0.00 H new ATOM 940 N LYS A 61 -2.305 12.534 -10.913 1.00 0.00 N ATOM 941 CA LYS A 61 -1.116 11.693 -10.989 1.00 0.00 C ATOM 942 C LYS A 61 -1.034 10.758 -9.787 1.00 0.00 C ATOM 943 O LYS A 61 -0.522 9.643 -9.890 1.00 0.00 O ATOM 944 CB LYS A 61 0.143 12.560 -11.063 1.00 0.00 C ATOM 945 CG LYS A 61 0.266 13.551 -9.919 1.00 0.00 C ATOM 946 CD LYS A 61 1.584 14.306 -9.975 1.00 0.00 C ATOM 947 CE LYS A 61 1.464 15.684 -9.343 1.00 0.00 C ATOM 948 NZ LYS A 61 0.715 16.632 -10.214 1.00 0.00 N ATOM 0 H LYS A 61 -2.112 13.535 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.186 11.088 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.020 11.913 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.144 13.105 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.562 14.259 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.188 13.023 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.355 13.734 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.903 14.407 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.959 15.599 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.460 16.081 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.301 17.471 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.484 16.167 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.164 16.920 -9.738 1.00 0.00 H new ATOM 962 N TYR A 62 -1.541 11.219 -8.649 1.00 0.00 N ATOM 963 CA TYR A 62 -1.524 10.424 -7.427 1.00 0.00 C ATOM 964 C TYR A 62 -2.533 9.282 -7.505 1.00 0.00 C ATOM 965 O TYR A 62 -2.178 8.112 -7.369 1.00 0.00 O ATOM 966 CB TYR A 62 -1.827 11.306 -6.215 1.00 0.00 C ATOM 967 CG TYR A 62 -2.041 10.527 -4.937 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.977 9.912 -4.289 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.308 10.404 -4.379 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.168 9.198 -3.122 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.507 9.694 -3.211 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.435 9.093 -2.586 1.00 0.00 C ATOM 973 OH TYR A 62 -2.630 8.383 -1.424 1.00 0.00 O ATOM 0 H TYR A 62 -1.969 12.139 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.527 9.997 -7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.004 12.006 -6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.717 11.900 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.016 9.994 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.151 10.871 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.330 8.725 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.498 9.610 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.579 8.408 -1.181 1.00 0.00 H new ATOM 983 N LYS A 63 -3.796 9.633 -7.727 1.00 0.00 N ATOM 984 CA LYS A 63 -4.860 8.640 -7.825 1.00 0.00 C ATOM 985 C LYS A 63 -4.603 7.681 -8.983 1.00 0.00 C ATOM 986 O LYS A 63 -4.788 6.472 -8.852 1.00 0.00 O ATOM 987 CB LYS A 63 -6.213 9.330 -8.011 1.00 0.00 C ATOM 988 CG LYS A 63 -6.487 10.418 -6.988 1.00 0.00 C ATOM 989 CD LYS A 63 -7.443 11.466 -7.531 1.00 0.00 C ATOM 990 CE LYS A 63 -8.892 11.099 -7.247 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.412 10.101 -8.222 1.00 0.00 N ATOM 0 H LYS A 63 -4.107 10.597 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.876 8.067 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.256 9.763 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.004 8.582 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.908 9.973 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.549 10.894 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.217 12.433 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.297 11.571 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.974 10.697 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.508 11.997 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.451 10.137 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.046 10.319 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.102 9.148 -7.942 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.174 8.229 -10.116 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.891 7.420 -11.296 1.00 0.00 C ATOM 1007 C ASN A 64 -3.014 6.224 -10.939 1.00 0.00 C ATOM 1008 O ASN A 64 -3.303 5.091 -11.325 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.203 8.269 -12.367 1.00 0.00 C ATOM 1010 CG ASN A 64 -4.194 9.012 -13.242 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -5.229 9.567 -12.622 1.00 0.00 O flip ATOM 1012 ND2 ASN A 64 -4.031 9.085 -14.460 1.00 0.00 N flip ATOM 0 H ASN A 64 -4.015 9.229 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.838 7.049 -11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.538 8.987 -11.886 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.581 7.627 -12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.220 8.643 -14.893 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.707 9.588 -15.036 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.942 6.483 -10.198 1.00 0.00 N ATOM 1020 CA LYS A 65 -1.024 5.428 -9.786 1.00 0.00 C ATOM 1021 C LYS A 65 -1.718 4.431 -8.864 1.00 0.00 C ATOM 1022 O LYS A 65 -1.561 3.219 -9.014 1.00 0.00 O ATOM 1023 CB LYS A 65 0.193 6.031 -9.079 1.00 0.00 C ATOM 1024 CG LYS A 65 1.109 4.993 -8.454 1.00 0.00 C ATOM 1025 CD LYS A 65 1.722 4.084 -9.506 1.00 0.00 C ATOM 1026 CE LYS A 65 2.689 4.842 -10.402 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.004 5.424 -11.589 1.00 0.00 N ATOM 0 H LYS A 65 -1.688 7.415 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.693 4.899 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.763 6.622 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.150 6.715 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.902 5.494 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.546 4.394 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.245 3.262 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.931 3.643 -10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.165 5.639 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.481 4.170 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.588 5.272 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.081 4.963 -11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.864 6.444 -11.444 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.487 4.949 -7.912 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.205 4.103 -6.966 1.00 0.00 C ATOM 1043 C TYR A 66 -4.121 3.125 -7.695 1.00 0.00 C ATOM 1044 O TYR A 66 -4.025 1.912 -7.510 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.024 4.963 -6.001 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.266 4.275 -5.483 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.182 3.069 -4.798 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.525 4.831 -5.678 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.314 2.436 -4.323 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.662 4.206 -5.205 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.552 3.009 -4.528 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.683 2.383 -4.057 1.00 0.00 O ATOM 0 H TYR A 66 -2.629 5.950 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.470 3.531 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.396 5.245 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.313 5.885 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.214 2.619 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.616 5.767 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.230 1.498 -3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.633 4.652 -5.364 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.472 2.918 -4.284 1.00 0.00 H new ATOM 1062 N ARG A 67 -5.008 3.662 -8.526 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.942 2.838 -9.283 1.00 0.00 C ATOM 1064 C ARG A 67 -5.198 1.924 -10.253 1.00 0.00 C ATOM 1065 O ARG A 67 -5.710 0.879 -10.653 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.927 3.721 -10.052 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.285 4.507 -11.184 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.297 4.856 -12.264 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.657 5.113 -13.551 1.00 0.00 N ATOM 1070 CZ ARG A 67 -7.326 5.425 -14.655 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -8.649 5.519 -14.629 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -6.673 5.644 -15.789 1.00 0.00 N ATOM 0 H ARG A 67 -5.099 4.664 -8.692 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.495 2.218 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.721 3.095 -10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.396 4.418 -9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.843 5.422 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.474 3.924 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.010 4.038 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.864 5.736 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.640 5.049 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.155 5.351 -13.759 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.160 5.759 -15.479 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.656 5.573 -15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.188 5.884 -16.636 1.00 0.00 H new ATOM 1086 N SER A 68 -3.988 2.326 -10.626 1.00 0.00 N ATOM 1087 CA SER A 68 -3.175 1.546 -11.552 1.00 0.00 C ATOM 1088 C SER A 68 -2.499 0.382 -10.833 1.00 0.00 C ATOM 1089 O SER A 68 -2.395 -0.720 -11.373 1.00 0.00 O ATOM 1090 CB SER A 68 -2.119 2.436 -12.211 1.00 0.00 C ATOM 1091 OG SER A 68 -1.575 1.814 -13.363 1.00 0.00 O ATOM 0 H SER A 68 -3.548 3.187 -10.301 1.00 0.00 H new ATOM 0 HA SER A 68 -3.832 1.142 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.565 3.392 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.322 2.649 -11.498 1.00 0.00 H new ATOM 0 HG SER A 68 -0.904 2.403 -13.767 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.041 0.635 -9.612 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.374 -0.391 -8.817 1.00 0.00 C ATOM 1099 C LEU A 69 -2.342 -1.512 -8.454 1.00 0.00 C ATOM 1100 O LEU A 69 -2.037 -2.691 -8.632 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.787 0.223 -7.545 1.00 0.00 C ATOM 1102 CG LEU A 69 0.478 1.063 -7.728 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.102 1.389 -6.380 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.476 0.337 -8.618 1.00 0.00 C ATOM 0 H LEU A 69 -2.119 1.541 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.566 -0.812 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.550 0.848 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.566 -0.583 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 69 0.202 1.999 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.001 1.987 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.390 1.950 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.364 0.464 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.370 0.949 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.746 -0.615 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.028 0.156 -9.595 1.00 0.00 H new ATOM 1116 N MET A 70 -3.511 -1.136 -7.946 1.00 0.00 N ATOM 1117 CA MET A 70 -4.525 -2.111 -7.561 1.00 0.00 C ATOM 1118 C MET A 70 -5.130 -2.781 -8.790 1.00 0.00 C ATOM 1119 O MET A 70 -5.597 -3.919 -8.723 1.00 0.00 O ATOM 1120 CB MET A 70 -5.626 -1.436 -6.740 1.00 0.00 C ATOM 1121 CG MET A 70 -6.586 -0.607 -7.577 1.00 0.00 C ATOM 1122 SD MET A 70 -7.714 0.376 -6.571 1.00 0.00 S ATOM 1123 CE MET A 70 -8.361 -0.876 -5.466 1.00 0.00 C ATOM 0 H MET A 70 -3.780 -0.164 -7.791 1.00 0.00 H new ATOM 0 HA MET A 70 -4.044 -2.876 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.190 -2.201 -6.206 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.166 -0.795 -5.988 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.015 0.055 -8.228 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.164 -1.269 -8.222 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.076 -0.422 -4.780 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.859 -1.652 -6.047 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.543 -1.318 -4.897 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.118 -2.070 -9.912 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.666 -2.596 -11.157 1.00 0.00 C ATOM 1135 C PHE A 71 -5.127 -3.995 -11.440 1.00 0.00 C ATOM 1136 O PHE A 71 -5.878 -4.898 -11.807 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.331 -1.662 -12.322 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.723 -2.212 -13.663 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -4.970 -3.206 -14.267 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -6.846 -1.735 -14.320 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.329 -3.713 -15.501 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.210 -2.238 -15.555 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.451 -3.230 -16.146 1.00 0.00 C ATOM 0 H PHE A 71 -4.735 -1.128 -9.985 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.749 -2.658 -11.051 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.835 -0.708 -12.168 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.260 -1.461 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.092 -3.589 -13.767 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.444 -0.961 -13.862 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.733 -4.487 -15.961 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.086 -1.856 -16.057 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.734 -3.627 -17.110 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.821 -4.165 -11.268 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.180 -5.454 -11.506 1.00 0.00 C ATOM 1155 C ASN A 72 -3.528 -6.447 -10.401 1.00 0.00 C ATOM 1156 O ASN A 72 -3.454 -7.661 -10.597 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.662 -5.283 -11.594 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.227 -4.640 -12.897 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.802 -5.324 -13.829 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.332 -3.318 -12.968 1.00 0.00 N ATOM 0 H ASN A 72 -3.185 -3.427 -10.965 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.550 -5.847 -12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.319 -4.673 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.183 -6.257 -11.495 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.055 -2.829 -13.819 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.690 -2.791 -12.171 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.907 -5.923 -9.241 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.268 -6.763 -8.104 1.00 0.00 C ATOM 1169 C LEU A 73 -5.630 -7.414 -8.319 1.00 0.00 C ATOM 1170 O LEU A 73 -5.768 -8.635 -8.231 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.283 -5.935 -6.818 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.937 -5.360 -6.374 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.127 -4.381 -5.226 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.987 -6.478 -5.971 1.00 0.00 C ATOM 0 H LEU A 73 -3.972 -4.921 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.520 -7.551 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.983 -5.109 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.673 -6.558 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.499 -4.822 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.159 -3.982 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.772 -3.563 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.587 -4.895 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.034 -6.051 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.420 -7.043 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.825 -7.142 -6.820 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.635 -6.593 -8.603 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.987 -7.088 -8.834 1.00 0.00 C ATOM 1188 C LYS A 74 -8.064 -7.867 -10.143 1.00 0.00 C ATOM 1189 O LYS A 74 -9.107 -8.427 -10.482 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.981 -5.924 -8.861 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.640 -4.857 -9.886 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.860 -4.030 -10.256 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.589 -3.148 -11.466 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.850 -2.664 -12.093 1.00 0.00 N ATOM 0 H LYS A 74 -6.539 -5.580 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.246 -7.760 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.977 -6.313 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.019 -5.467 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.863 -4.204 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.233 -5.328 -10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.699 -4.692 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.150 -3.408 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.982 -2.294 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.009 -3.707 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.623 -2.067 -12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.418 -3.478 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.391 -2.109 -11.400 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.955 -7.899 -10.873 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.897 -8.612 -12.144 1.00 0.00 C ATOM 1210 C ASP A 75 -6.945 -10.121 -11.924 1.00 0.00 C ATOM 1211 O ASP A 75 -6.108 -10.699 -11.231 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.626 -8.236 -12.907 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.764 -8.444 -14.402 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.870 -8.207 -14.934 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.768 -8.842 -15.040 1.00 0.00 O ATOM 0 H ASP A 75 -6.084 -7.440 -10.607 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.766 -8.321 -12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.383 -7.192 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.793 -8.833 -12.536 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.949 -10.776 -12.526 1.00 0.00 N ATOM 1221 CA PRO A 76 -8.131 -12.225 -12.410 1.00 0.00 C ATOM 1222 C PRO A 76 -7.049 -13.006 -13.148 1.00 0.00 C ATOM 1223 O PRO A 76 -6.853 -14.197 -12.904 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.498 -12.464 -13.056 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.674 -11.326 -14.001 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.984 -10.151 -13.367 1.00 0.00 C ATOM 0 HA PRO A 76 -8.069 -12.562 -11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.527 -13.420 -13.578 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.291 -12.484 -12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.239 -11.556 -14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.731 -11.116 -14.166 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.548 -9.489 -14.115 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.675 -9.551 -12.775 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.349 -12.329 -14.051 1.00 0.00 N ATOM 1235 CA LYS A 77 -5.285 -12.958 -14.824 1.00 0.00 C ATOM 1236 C LYS A 77 -3.976 -12.970 -14.040 1.00 0.00 C ATOM 1237 O LYS A 77 -3.267 -13.974 -14.013 1.00 0.00 O ATOM 1238 CB LYS A 77 -5.089 -12.224 -16.152 1.00 0.00 C ATOM 1239 CG LYS A 77 -6.340 -12.180 -17.013 1.00 0.00 C ATOM 1240 CD LYS A 77 -6.556 -13.490 -17.751 1.00 0.00 C ATOM 1241 CE LYS A 77 -7.996 -13.637 -18.217 1.00 0.00 C ATOM 1242 NZ LYS A 77 -8.218 -12.998 -19.544 1.00 0.00 N ATOM 0 H LYS A 77 -6.500 -11.343 -14.266 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.577 -13.989 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.762 -11.204 -15.949 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.290 -12.710 -16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.206 -11.967 -16.387 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.259 -11.365 -17.732 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.888 -13.539 -18.611 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.297 -14.324 -17.098 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.252 -14.695 -18.276 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.663 -13.188 -17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.211 -13.120 -19.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.998 -11.983 -19.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.600 -13.444 -20.252 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.664 -11.846 -13.401 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.441 -11.728 -12.616 1.00 0.00 C ATOM 1258 C ASN A 78 -2.665 -12.211 -11.186 1.00 0.00 C ATOM 1259 O ASN A 78 -2.987 -11.424 -10.297 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.955 -10.278 -12.606 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.562 -10.139 -12.022 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.129 -10.965 -11.219 1.00 0.00 O ATOM 1263 ND2 ASN A 78 0.146 -9.090 -12.424 1.00 0.00 N ATOM 0 H ASN A 78 -4.241 -11.005 -13.412 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.679 -12.356 -13.078 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.960 -9.889 -13.624 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.650 -9.669 -12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.090 -8.944 -12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.254 -8.431 -13.092 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.491 -13.511 -10.972 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.673 -14.100 -9.650 1.00 0.00 C ATOM 1272 C ASN A 79 -1.328 -14.351 -8.976 1.00 0.00 C ATOM 1273 O ASN A 79 -1.114 -15.398 -8.364 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.456 -15.410 -9.756 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.990 -16.270 -10.915 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -3.595 -16.267 -11.987 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -1.908 -17.011 -10.704 1.00 0.00 N ATOM 0 H ASN A 79 -2.224 -14.177 -11.697 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.238 -13.395 -9.040 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.350 -15.969 -8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.516 -15.188 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.547 -17.609 -11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.438 -16.982 -9.799 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.425 -13.383 -9.091 1.00 0.00 N ATOM 1285 CA ILE A 80 0.899 -13.498 -8.491 1.00 0.00 C ATOM 1286 C ILE A 80 1.239 -12.261 -7.668 1.00 0.00 C ATOM 1287 O ILE A 80 1.524 -12.356 -6.473 1.00 0.00 O ATOM 1288 CB ILE A 80 1.986 -13.703 -9.563 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.521 -14.722 -10.605 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.288 -14.154 -8.917 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.540 -14.983 -11.692 1.00 0.00 C ATOM 0 H ILE A 80 -0.586 -12.510 -9.594 1.00 0.00 H new ATOM 0 HA ILE A 80 0.875 -14.370 -7.838 1.00 0.00 H new ATOM 0 HB ILE A 80 2.163 -12.753 -10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.288 -15.661 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.597 -14.367 -11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.047 -14.295 -9.687 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.625 -13.396 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.126 -15.095 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.143 -15.715 -12.395 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.756 -14.054 -12.219 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.457 -15.369 -11.246 1.00 0.00 H new ATOM 1303 N LEU A 81 1.205 -11.100 -8.313 1.00 0.00 N ATOM 1304 CA LEU A 81 1.508 -9.842 -7.640 1.00 0.00 C ATOM 1305 C LEU A 81 1.019 -9.865 -6.195 1.00 0.00 C ATOM 1306 O LEU A 81 1.818 -9.897 -5.259 1.00 0.00 O ATOM 1307 CB LEU A 81 0.865 -8.673 -8.388 1.00 0.00 C ATOM 1308 CG LEU A 81 1.597 -7.333 -8.296 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.966 -7.426 -8.950 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.770 -6.229 -8.938 1.00 0.00 C ATOM 0 H LEU A 81 0.971 -11.004 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 81 2.590 -9.713 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.777 -8.945 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.148 -8.538 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 81 1.737 -7.089 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.471 -6.463 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.560 -8.188 -8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.850 -7.694 -10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.306 -5.283 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.598 -6.467 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.187 -6.145 -8.423 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.298 -9.852 -6.021 1.00 0.00 N ATOM 1323 CA PHE A 82 -0.894 -9.873 -4.690 1.00 0.00 C ATOM 1324 C PHE A 82 -0.165 -10.860 -3.784 1.00 0.00 C ATOM 1325 O PHE A 82 0.250 -10.515 -2.677 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.376 -10.244 -4.778 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.628 -11.724 -4.735 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.646 -12.471 -5.902 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.845 -12.368 -3.528 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -2.878 -13.833 -5.865 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.078 -13.730 -3.485 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.093 -14.464 -4.655 1.00 0.00 C ATOM 0 H PHE A 82 -0.973 -9.827 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.801 -8.875 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.911 -9.769 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.789 -9.840 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.477 -11.984 -6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.832 -11.799 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.891 -14.404 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.248 -14.220 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.272 -15.529 -4.624 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.012 -12.091 -4.260 1.00 0.00 N ATOM 1343 CA LYS A 83 0.667 -13.130 -3.495 1.00 0.00 C ATOM 1344 C LYS A 83 2.066 -12.678 -3.088 1.00 0.00 C ATOM 1345 O LYS A 83 2.398 -12.639 -1.903 1.00 0.00 O ATOM 1346 CB LYS A 83 0.754 -14.420 -4.313 1.00 0.00 C ATOM 1347 CG LYS A 83 1.170 -15.631 -3.496 1.00 0.00 C ATOM 1348 CD LYS A 83 1.174 -16.897 -4.337 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.236 -17.418 -4.565 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.243 -18.867 -4.910 1.00 0.00 N ATOM 0 H LYS A 83 -0.350 -12.394 -5.174 1.00 0.00 H new ATOM 0 HA LYS A 83 0.088 -13.319 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.216 -14.616 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.467 -14.278 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.164 -15.466 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.489 -15.755 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.649 -16.696 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.770 -17.663 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.833 -17.256 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.707 -16.851 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.222 -19.184 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.305 -19.019 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.183 -19.411 -4.133 1.00 0.00 H new ATOM 1364 N LYS A 84 2.884 -12.338 -4.079 1.00 0.00 N ATOM 1365 CA LYS A 84 4.247 -11.886 -3.825 1.00 0.00 C ATOM 1366 C LYS A 84 4.269 -10.789 -2.765 1.00 0.00 C ATOM 1367 O LYS A 84 5.196 -10.709 -1.959 1.00 0.00 O ATOM 1368 CB LYS A 84 4.886 -11.373 -5.118 1.00 0.00 C ATOM 1369 CG LYS A 84 5.076 -12.451 -6.171 1.00 0.00 C ATOM 1370 CD LYS A 84 5.601 -11.871 -7.474 1.00 0.00 C ATOM 1371 CE LYS A 84 4.555 -11.004 -8.158 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.799 -10.894 -9.623 1.00 0.00 N ATOM 0 H LYS A 84 2.626 -12.367 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 84 4.821 -12.736 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.264 -10.579 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.854 -10.930 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.771 -13.204 -5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.127 -12.955 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.494 -11.278 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.897 -12.681 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.565 -11.425 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.560 -10.009 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.065 -10.295 -10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.734 -10.469 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.769 -11.841 -10.052 1.00 0.00 H new ATOM 1386 N VAL A 85 3.241 -9.947 -2.771 1.00 0.00 N ATOM 1387 CA VAL A 85 3.140 -8.856 -1.808 1.00 0.00 C ATOM 1388 C VAL A 85 2.854 -9.384 -0.407 1.00 0.00 C ATOM 1389 O VAL A 85 3.688 -9.275 0.492 1.00 0.00 O ATOM 1390 CB VAL A 85 2.036 -7.858 -2.205 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.862 -6.799 -1.126 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.356 -7.216 -3.546 1.00 0.00 C ATOM 0 H VAL A 85 2.466 -9.999 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 85 4.101 -8.342 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 85 1.096 -8.401 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.078 -6.102 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.585 -7.278 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.798 -6.257 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.566 -6.514 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.305 -6.685 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.427 -7.989 -4.312 1.00 0.00 H new ATOM 1402 N LEU A 86 1.669 -9.958 -0.228 1.00 0.00 N ATOM 1403 CA LEU A 86 1.271 -10.505 1.064 1.00 0.00 C ATOM 1404 C LEU A 86 2.362 -11.407 1.633 1.00 0.00 C ATOM 1405 O LEU A 86 2.710 -11.312 2.810 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.035 -11.290 0.928 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.323 -10.478 1.068 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.408 -9.419 -0.020 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.538 -11.393 1.020 1.00 0.00 C ATOM 0 H LEU A 86 0.967 -10.057 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 86 1.118 -9.673 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.042 -11.780 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.042 -12.078 1.681 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.309 -9.975 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.331 -8.851 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.555 -8.745 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.399 -9.900 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.446 -10.798 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.556 -11.924 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.484 -12.113 1.836 1.00 0.00 H new ATOM 1421 N LYS A 87 2.900 -12.281 0.789 1.00 0.00 N ATOM 1422 CA LYS A 87 3.954 -13.198 1.205 1.00 0.00 C ATOM 1423 C LYS A 87 5.170 -12.432 1.718 1.00 0.00 C ATOM 1424 O LYS A 87 5.756 -12.791 2.739 1.00 0.00 O ATOM 1425 CB LYS A 87 4.362 -14.102 0.039 1.00 0.00 C ATOM 1426 CG LYS A 87 3.336 -15.173 -0.287 1.00 0.00 C ATOM 1427 CD LYS A 87 3.314 -16.265 0.770 1.00 0.00 C ATOM 1428 CE LYS A 87 4.329 -17.356 0.465 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.029 -18.050 -0.818 1.00 0.00 N ATOM 0 H LYS A 87 2.623 -12.373 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 87 3.566 -13.814 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.527 -13.487 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.312 -14.581 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.348 -14.720 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.562 -15.611 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.527 -15.831 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.316 -16.700 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.327 -16.920 0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.337 -18.082 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.972 -19.075 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.121 -17.708 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.784 -17.852 -1.505 1.00 0.00 H new ATOM 1443 N GLY A 88 5.543 -11.375 1.004 1.00 0.00 N ATOM 1444 CA GLY A 88 6.686 -10.575 1.404 1.00 0.00 C ATOM 1445 C GLY A 88 7.611 -10.265 0.243 1.00 0.00 C ATOM 1446 O GLY A 88 8.297 -9.243 0.245 1.00 0.00 O ATOM 0 H GLY A 88 5.074 -11.058 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.336 -9.642 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.243 -11.104 2.177 1.00 0.00 H new ATOM 1450 N GLU A 89 7.630 -11.149 -0.749 1.00 0.00 N ATOM 1451 CA GLU A 89 8.480 -10.965 -1.919 1.00 0.00 C ATOM 1452 C GLU A 89 8.507 -9.500 -2.347 1.00 0.00 C ATOM 1453 O GLU A 89 9.573 -8.894 -2.461 1.00 0.00 O ATOM 1454 CB GLU A 89 7.989 -11.837 -3.076 1.00 0.00 C ATOM 1455 CG GLU A 89 8.421 -13.290 -2.970 1.00 0.00 C ATOM 1456 CD GLU A 89 9.928 -13.450 -2.941 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.537 -13.544 -4.027 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.500 -13.481 -1.831 1.00 0.00 O ATOM 0 H GLU A 89 7.067 -11.999 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 89 9.493 -11.266 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.901 -11.793 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.360 -11.424 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.996 -13.727 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.016 -13.848 -3.814 1.00 0.00 H new ATOM 1465 N VAL A 90 7.326 -8.937 -2.583 1.00 0.00 N ATOM 1466 CA VAL A 90 7.213 -7.544 -2.997 1.00 0.00 C ATOM 1467 C VAL A 90 6.874 -6.644 -1.814 1.00 0.00 C ATOM 1468 O VAL A 90 6.151 -7.045 -0.901 1.00 0.00 O ATOM 1469 CB VAL A 90 6.138 -7.368 -4.086 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.742 -5.905 -4.215 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.634 -7.914 -5.417 1.00 0.00 C ATOM 0 H VAL A 90 6.434 -9.424 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 90 8.182 -7.255 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 90 5.254 -7.934 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.982 -5.801 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.343 -5.551 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.617 -5.314 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.862 -7.782 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.534 -7.377 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.862 -8.975 -5.313 1.00 0.00 H new ATOM 1481 N THR A 91 7.400 -5.424 -1.836 1.00 0.00 N ATOM 1482 CA THR A 91 7.154 -4.466 -0.765 1.00 0.00 C ATOM 1483 C THR A 91 6.077 -3.462 -1.161 1.00 0.00 C ATOM 1484 O THR A 91 5.914 -3.121 -2.333 1.00 0.00 O ATOM 1485 CB THR A 91 8.438 -3.703 -0.388 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.290 -3.582 -1.533 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.182 -4.414 0.732 1.00 0.00 C ATOM 0 H THR A 91 7.999 -5.075 -2.584 1.00 0.00 H new ATOM 0 HA THR A 91 6.813 -5.038 0.098 1.00 0.00 H new ATOM 0 HB THR A 91 8.155 -2.710 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.165 -3.240 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.085 -3.856 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.541 -4.478 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.454 -5.419 0.408 1.00 0.00 H new ATOM 1495 N PRO A 92 5.324 -2.977 -0.164 1.00 0.00 N ATOM 1496 CA PRO A 92 4.250 -2.004 -0.384 1.00 0.00 C ATOM 1497 C PRO A 92 4.783 -0.631 -0.780 1.00 0.00 C ATOM 1498 O PRO A 92 4.067 0.176 -1.372 1.00 0.00 O ATOM 1499 CB PRO A 92 3.550 -1.934 0.976 1.00 0.00 C ATOM 1500 CG PRO A 92 4.594 -2.334 1.960 1.00 0.00 C ATOM 1501 CD PRO A 92 5.463 -3.340 1.257 1.00 0.00 C ATOM 0 HA PRO A 92 3.593 -2.300 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.179 -0.929 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.692 -2.605 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.178 -1.472 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.143 -2.765 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.499 -3.277 1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.130 -4.360 1.446 1.00 0.00 H new ATOM 1509 N ASP A 93 6.044 -0.375 -0.451 1.00 0.00 N ATOM 1510 CA ASP A 93 6.675 0.900 -0.774 1.00 0.00 C ATOM 1511 C ASP A 93 7.336 0.847 -2.147 1.00 0.00 C ATOM 1512 O ASP A 93 7.526 1.876 -2.797 1.00 0.00 O ATOM 1513 CB ASP A 93 7.710 1.266 0.291 1.00 0.00 C ATOM 1514 CG ASP A 93 8.529 0.071 0.737 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.544 -0.234 0.075 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.156 -0.560 1.748 1.00 0.00 O ATOM 0 H ASP A 93 6.650 -1.033 0.039 1.00 0.00 H new ATOM 0 HA ASP A 93 5.900 1.666 -0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.377 2.033 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.202 1.697 1.154 1.00 0.00 H new ATOM 1521 N HIS A 94 7.686 -0.359 -2.583 1.00 0.00 N ATOM 1522 CA HIS A 94 8.327 -0.547 -3.880 1.00 0.00 C ATOM 1523 C HIS A 94 7.286 -0.693 -4.985 1.00 0.00 C ATOM 1524 O HIS A 94 7.480 -0.213 -6.103 1.00 0.00 O ATOM 1525 CB HIS A 94 9.234 -1.778 -3.851 1.00 0.00 C ATOM 1526 CG HIS A 94 10.150 -1.875 -5.032 1.00 0.00 C ATOM 1527 ND1 HIS A 94 10.081 -2.642 -6.145 1.00 0.00 N flip ATOM 1528 CD2 HIS A 94 11.300 -1.125 -5.156 1.00 0.00 C flip ATOM 1529 CE1 HIS A 94 11.179 -2.343 -6.914 1.00 0.00 C flip ATOM 1530 NE2 HIS A 94 11.898 -1.424 -6.295 1.00 0.00 N flip ATOM 0 H HIS A 94 7.537 -1.220 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 94 8.932 0.335 -4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.831 -1.758 -2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.615 -2.674 -3.807 1.00 0.00 H new ATOM 0 HD1 HIS A 94 9.350 -3.316 -6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.656 -0.405 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.416 -2.787 -7.870 1.00 0.00 H new ATOM 1539 N LEU A 95 6.182 -1.360 -4.666 1.00 0.00 N ATOM 1540 CA LEU A 95 5.109 -1.570 -5.632 1.00 0.00 C ATOM 1541 C LEU A 95 4.839 -0.300 -6.432 1.00 0.00 C ATOM 1542 O LEU A 95 4.323 -0.356 -7.548 1.00 0.00 O ATOM 1543 CB LEU A 95 3.833 -2.018 -4.917 1.00 0.00 C ATOM 1544 CG LEU A 95 2.739 -2.611 -5.806 1.00 0.00 C ATOM 1545 CD1 LEU A 95 3.216 -3.904 -6.449 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.470 -2.851 -5.001 1.00 0.00 C ATOM 0 H LEU A 95 6.006 -1.765 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 95 5.424 -2.352 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.103 -2.759 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.418 -1.161 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 95 2.514 -1.897 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.424 -4.311 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.097 -3.704 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.469 -4.625 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.702 -3.273 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.681 -3.546 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.117 -1.906 -4.588 1.00 0.00 H new ATOM 1558 N ILE A 96 5.193 0.843 -5.854 1.00 0.00 N ATOM 1559 CA ILE A 96 4.992 2.127 -6.515 1.00 0.00 C ATOM 1560 C ILE A 96 6.087 2.394 -7.541 1.00 0.00 C ATOM 1561 O ILE A 96 5.806 2.623 -8.718 1.00 0.00 O ATOM 1562 CB ILE A 96 4.963 3.284 -5.499 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.081 2.919 -4.303 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.463 4.559 -6.163 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.236 3.860 -3.129 1.00 0.00 C ATOM 0 H ILE A 96 5.620 0.906 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 96 4.028 2.074 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 96 5.977 3.458 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.038 2.914 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.321 1.906 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.448 5.368 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.127 4.825 -6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.456 4.398 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.581 3.541 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.271 3.847 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.968 4.871 -3.435 1.00 0.00 H new ATOM 1577 N ARG A 97 7.336 2.362 -7.088 1.00 0.00 N ATOM 1578 CA ARG A 97 8.474 2.600 -7.968 1.00 0.00 C ATOM 1579 C ARG A 97 8.486 1.604 -9.124 1.00 0.00 C ATOM 1580 O ARG A 97 9.043 1.878 -10.186 1.00 0.00 O ATOM 1581 CB ARG A 97 9.783 2.502 -7.182 1.00 0.00 C ATOM 1582 CG ARG A 97 9.859 3.459 -6.004 1.00 0.00 C ATOM 1583 CD ARG A 97 11.174 3.314 -5.253 1.00 0.00 C ATOM 1584 NE ARG A 97 12.312 3.758 -6.052 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.944 2.982 -6.925 1.00 0.00 C ATOM 1586 NH1 ARG A 97 12.550 1.729 -7.111 1.00 0.00 N ATOM 1587 NH2 ARG A 97 13.973 3.458 -7.615 1.00 0.00 N ATOM 0 H ARG A 97 7.586 2.174 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 97 8.379 3.605 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.903 1.481 -6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.617 2.701 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.752 4.484 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.028 3.269 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.131 3.893 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.316 2.271 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 97 12.640 4.717 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.760 1.359 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.037 1.135 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.279 4.421 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.458 2.861 -8.285 1.00 0.00 H new ATOM 1601 N MET A 98 7.869 0.447 -8.907 1.00 0.00 N ATOM 1602 CA MET A 98 7.808 -0.589 -9.931 1.00 0.00 C ATOM 1603 C MET A 98 7.247 -0.033 -11.236 1.00 0.00 C ATOM 1604 O MET A 98 6.478 0.929 -11.232 1.00 0.00 O ATOM 1605 CB MET A 98 6.948 -1.760 -9.451 1.00 0.00 C ATOM 1606 CG MET A 98 7.560 -2.527 -8.290 1.00 0.00 C ATOM 1607 SD MET A 98 8.612 -3.887 -8.833 1.00 0.00 S ATOM 1608 CE MET A 98 7.381 -5.109 -9.281 1.00 0.00 C ATOM 0 H MET A 98 7.405 0.204 -8.032 1.00 0.00 H new ATOM 0 HA MET A 98 8.822 -0.943 -10.114 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.970 -1.383 -9.152 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.785 -2.445 -10.283 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.146 -1.843 -7.676 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.763 -2.919 -7.658 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.766 -6.107 -9.073 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.474 -4.942 -8.700 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.153 -5.023 -10.343 1.00 0.00 H new ATOM 1618 N SER A 99 7.636 -0.643 -12.351 1.00 0.00 N ATOM 1619 CA SER A 99 7.175 -0.205 -13.663 1.00 0.00 C ATOM 1620 C SER A 99 5.761 -0.710 -13.938 1.00 0.00 C ATOM 1621 O SER A 99 5.347 -1.766 -13.458 1.00 0.00 O ATOM 1622 CB SER A 99 8.127 -0.701 -14.753 1.00 0.00 C ATOM 1623 OG SER A 99 9.301 0.091 -14.803 1.00 0.00 O ATOM 0 H SER A 99 8.269 -1.442 -12.372 1.00 0.00 H new ATOM 0 HA SER A 99 7.161 0.885 -13.671 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.394 -1.741 -14.562 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.624 -0.673 -15.720 1.00 0.00 H new ATOM 0 HG SER A 99 9.894 -0.247 -15.506 1.00 0.00 H new ATOM 1629 N PRO A 100 5.002 0.061 -14.730 1.00 0.00 N ATOM 1630 CA PRO A 100 3.624 -0.287 -15.088 1.00 0.00 C ATOM 1631 C PRO A 100 3.554 -1.488 -16.026 1.00 0.00 C ATOM 1632 O PRO A 100 2.533 -2.171 -16.098 1.00 0.00 O ATOM 1633 CB PRO A 100 3.112 0.972 -15.793 1.00 0.00 C ATOM 1634 CG PRO A 100 4.337 1.633 -16.324 1.00 0.00 C ATOM 1635 CD PRO A 100 5.431 1.332 -15.338 1.00 0.00 C ATOM 0 HA PRO A 100 3.036 -0.573 -14.216 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.418 0.722 -16.595 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.578 1.624 -15.101 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.588 1.252 -17.314 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.188 2.708 -16.425 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.399 1.236 -15.829 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.529 2.121 -14.593 1.00 0.00 H new ATOM 1643 N GLU A 101 4.646 -1.739 -16.741 1.00 0.00 N ATOM 1644 CA GLU A 101 4.707 -2.858 -17.674 1.00 0.00 C ATOM 1645 C GLU A 101 5.079 -4.149 -16.951 1.00 0.00 C ATOM 1646 O GLU A 101 4.751 -5.244 -17.407 1.00 0.00 O ATOM 1647 CB GLU A 101 5.721 -2.572 -18.783 1.00 0.00 C ATOM 1648 CG GLU A 101 6.109 -3.802 -19.585 1.00 0.00 C ATOM 1649 CD GLU A 101 6.870 -3.457 -20.851 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.993 -2.922 -20.741 1.00 0.00 O ATOM 1651 OE2 GLU A 101 6.342 -3.723 -21.951 1.00 0.00 O ATOM 0 H GLU A 101 5.500 -1.183 -16.692 1.00 0.00 H new ATOM 0 HA GLU A 101 3.719 -2.982 -18.118 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.306 -1.824 -19.459 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.618 -2.139 -18.341 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.721 -4.457 -18.965 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.209 -4.359 -19.847 1.00 0.00 H new ATOM 1658 N GLU A 102 5.765 -4.012 -15.820 1.00 0.00 N ATOM 1659 CA GLU A 102 6.182 -5.167 -15.035 1.00 0.00 C ATOM 1660 C GLU A 102 5.018 -5.719 -14.217 1.00 0.00 C ATOM 1661 O GLU A 102 4.795 -6.929 -14.170 1.00 0.00 O ATOM 1662 CB GLU A 102 7.338 -4.790 -14.107 1.00 0.00 C ATOM 1663 CG GLU A 102 8.590 -4.344 -14.843 1.00 0.00 C ATOM 1664 CD GLU A 102 9.642 -3.773 -13.913 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.264 -3.167 -12.889 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.845 -3.932 -14.209 1.00 0.00 O ATOM 0 H GLU A 102 6.043 -3.113 -15.428 1.00 0.00 H new ATOM 0 HA GLU A 102 6.517 -5.941 -15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.013 -3.989 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.582 -5.646 -13.478 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.010 -5.192 -15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.322 -3.593 -15.586 1.00 0.00 H new ATOM 1673 N LEU A 103 4.277 -4.822 -13.574 1.00 0.00 N ATOM 1674 CA LEU A 103 3.135 -5.218 -12.757 1.00 0.00 C ATOM 1675 C LEU A 103 2.357 -6.349 -13.421 1.00 0.00 C ATOM 1676 O LEU A 103 1.753 -7.181 -12.743 1.00 0.00 O ATOM 1677 CB LEU A 103 2.214 -4.020 -12.520 1.00 0.00 C ATOM 1678 CG LEU A 103 2.700 -2.991 -11.499 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.967 -1.671 -11.681 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.515 -3.515 -10.083 1.00 0.00 C ATOM 0 H LEU A 103 4.447 -3.817 -13.603 1.00 0.00 H new ATOM 0 HA LEU A 103 3.511 -5.575 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.059 -3.512 -13.472 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.242 -4.393 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 103 3.763 -2.818 -11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.326 -0.951 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.152 -1.288 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.897 -1.827 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.866 -2.769 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.459 -3.718 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.087 -4.434 -9.958 1.00 0.00 H new