USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=25 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 19 SER OG : rot -154:sc= 0.85 USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= 0.588 USER MOD Set 1.3: A 70 MET CE :methyl -145:sc= -4.95! (180deg=-3.78!) USER MOD Single : A 11 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.59) 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) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -140:sc= -2.11! (180deg=-4!) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.663) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 92:sc= 0.0375 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+ -156:sc= -0.0513 (180deg=-0.808) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0402 (180deg=-0.314) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.0384 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0145) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.923 (180deg=-2.91!) USER MOD Single : A 62 TYR OH : rot 165:sc=-0.000294 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.0178 (180deg=-0.206) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= -0.454 (180deg=-0.455) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.53 K(o=-2.5,f=-4.6!) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= -0.298 (180deg=-1.78!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.512 K(o=0.51,f=-0.72) USER MOD Single : A 79 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0953) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 94 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.11) USER MOD Single : A 98 MET CE :methyl -178:sc= -0.0329 (180deg=-0.039) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.707 15.633 1.177 1.00 0.00 N ATOM 78 CA ALA A 9 -7.473 14.860 1.106 1.00 0.00 C ATOM 79 C ALA A 9 -7.535 13.642 2.020 1.00 0.00 C ATOM 80 O ALA A 9 -7.480 12.503 1.557 1.00 0.00 O ATOM 81 CB ALA A 9 -6.281 15.734 1.467 1.00 0.00 C ATOM 0 HA ALA A 9 -7.353 14.507 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.366 15.144 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.218 16.569 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.404 16.116 2.481 1.00 0.00 H new ATOM 87 N ASP A 10 -7.648 13.889 3.320 1.00 0.00 N ATOM 88 CA ASP A 10 -7.718 12.811 4.300 1.00 0.00 C ATOM 89 C ASP A 10 -8.659 11.707 3.828 1.00 0.00 C ATOM 90 O ASP A 10 -8.236 10.574 3.602 1.00 0.00 O ATOM 91 CB ASP A 10 -8.185 13.352 5.653 1.00 0.00 C ATOM 92 CG ASP A 10 -9.126 14.532 5.511 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.321 14.307 5.227 1.00 0.00 O ATOM 94 OD2 ASP A 10 -8.668 15.681 5.683 1.00 0.00 O ATOM 0 H ASP A 10 -7.693 14.826 3.720 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.719 12.389 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.685 12.557 6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.317 13.652 6.240 1.00 0.00 H new ATOM 99 N GLN A 11 -9.936 12.047 3.683 1.00 0.00 N ATOM 100 CA GLN A 11 -10.936 11.083 3.240 1.00 0.00 C ATOM 101 C GLN A 11 -10.408 10.244 2.081 1.00 0.00 C ATOM 102 O GLN A 11 -10.511 9.017 2.093 1.00 0.00 O ATOM 103 CB GLN A 11 -12.218 11.804 2.820 1.00 0.00 C ATOM 104 CG GLN A 11 -13.188 12.039 3.967 1.00 0.00 C ATOM 105 CD GLN A 11 -12.631 12.975 5.020 1.00 0.00 C ATOM 106 OE1 GLN A 11 -12.868 14.183 4.983 1.00 0.00 O ATOM 107 NE2 GLN A 11 -11.884 12.422 5.969 1.00 0.00 N ATOM 0 H GLN A 11 -10.302 12.981 3.866 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.158 10.418 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.956 12.764 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.717 11.219 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.117 12.453 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.435 11.084 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.713 11.417 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.482 13.003 6.705 1.00 0.00 H new ATOM 116 N ILE A 12 -9.843 10.913 1.082 1.00 0.00 N ATOM 117 CA ILE A 12 -9.298 10.228 -0.084 1.00 0.00 C ATOM 118 C ILE A 12 -8.279 9.171 0.327 1.00 0.00 C ATOM 119 O ILE A 12 -8.397 8.003 -0.045 1.00 0.00 O ATOM 120 CB ILE A 12 -8.630 11.218 -1.057 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.647 12.250 -1.546 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.017 10.472 -2.232 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.025 13.392 -2.319 1.00 0.00 C ATOM 0 H ILE A 12 -9.751 11.928 1.056 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.136 9.746 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.834 11.743 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.382 11.752 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.185 12.653 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.549 11.185 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.266 9.772 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.796 9.924 -2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.805 14.085 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.310 13.915 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.511 13.000 -3.197 1.00 0.00 H new ATOM 135 N ARG A 13 -7.279 9.587 1.097 1.00 0.00 N ATOM 136 CA ARG A 13 -6.239 8.676 1.559 1.00 0.00 C ATOM 137 C ARG A 13 -6.843 7.515 2.344 1.00 0.00 C ATOM 138 O ARG A 13 -6.540 6.352 2.082 1.00 0.00 O ATOM 139 CB ARG A 13 -5.226 9.422 2.429 1.00 0.00 C ATOM 140 CG ARG A 13 -4.612 10.633 1.746 1.00 0.00 C ATOM 141 CD ARG A 13 -3.497 11.239 2.583 1.00 0.00 C ATOM 142 NE ARG A 13 -4.013 11.963 3.741 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.276 12.781 4.484 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.998 12.978 4.192 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.818 13.404 5.523 1.00 0.00 N ATOM 0 H ARG A 13 -7.167 10.550 1.414 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.729 8.274 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.716 9.743 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.430 8.735 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.220 10.342 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.384 11.382 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.826 10.449 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.907 11.916 1.965 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.993 11.834 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.578 12.501 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.435 13.607 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.801 13.255 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.252 14.032 6.093 1.00 0.00 H new ATOM 159 N GLN A 14 -7.699 7.842 3.308 1.00 0.00 N ATOM 160 CA GLN A 14 -8.344 6.827 4.132 1.00 0.00 C ATOM 161 C GLN A 14 -9.105 5.827 3.268 1.00 0.00 C ATOM 162 O GLN A 14 -9.009 4.616 3.471 1.00 0.00 O ATOM 163 CB GLN A 14 -9.296 7.482 5.133 1.00 0.00 C ATOM 164 CG GLN A 14 -10.104 6.484 5.947 1.00 0.00 C ATOM 165 CD GLN A 14 -10.486 7.019 7.314 1.00 0.00 C ATOM 166 OE1 GLN A 14 -9.627 7.246 8.166 1.00 0.00 O ATOM 167 NE2 GLN A 14 -11.780 7.223 7.530 1.00 0.00 N ATOM 0 H GLN A 14 -7.961 8.801 3.537 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.567 6.291 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.720 8.110 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.980 8.138 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.008 6.221 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.527 5.567 6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.458 7.021 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.096 7.582 8.431 1.00 0.00 H new ATOM 176 N SER A 15 -9.861 6.341 2.303 1.00 0.00 N ATOM 177 CA SER A 15 -10.642 5.493 1.410 1.00 0.00 C ATOM 178 C SER A 15 -9.748 4.481 0.701 1.00 0.00 C ATOM 179 O SER A 15 -10.099 3.309 0.570 1.00 0.00 O ATOM 180 CB SER A 15 -11.382 6.348 0.379 1.00 0.00 C ATOM 181 OG SER A 15 -12.651 6.749 0.866 1.00 0.00 O ATOM 0 H SER A 15 -9.949 7.340 2.120 1.00 0.00 H new ATOM 0 HA SER A 15 -11.371 4.949 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.787 7.229 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.505 5.783 -0.545 1.00 0.00 H new ATOM 0 HG SER A 15 -13.103 7.295 0.190 1.00 0.00 H new ATOM 187 N VAL A 16 -8.588 4.944 0.245 1.00 0.00 N ATOM 188 CA VAL A 16 -7.641 4.080 -0.450 1.00 0.00 C ATOM 189 C VAL A 16 -7.351 2.820 0.357 1.00 0.00 C ATOM 190 O VAL A 16 -7.492 1.704 -0.144 1.00 0.00 O ATOM 191 CB VAL A 16 -6.315 4.813 -0.731 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.293 3.857 -1.327 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.548 6.000 -1.653 1.00 0.00 C ATOM 0 H VAL A 16 -8.282 5.912 0.344 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.103 3.802 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.919 5.188 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.363 4.392 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.105 3.043 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.677 3.450 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.601 6.506 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.966 5.651 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.244 6.695 -1.183 1.00 0.00 H new ATOM 203 N ARG A 17 -6.947 3.006 1.609 1.00 0.00 N ATOM 204 CA ARG A 17 -6.637 1.883 2.486 1.00 0.00 C ATOM 205 C ARG A 17 -7.681 0.779 2.346 1.00 0.00 C ATOM 206 O ARG A 17 -7.362 -0.346 1.961 1.00 0.00 O ATOM 207 CB ARG A 17 -6.565 2.350 3.941 1.00 0.00 C ATOM 208 CG ARG A 17 -5.453 3.352 4.205 1.00 0.00 C ATOM 209 CD ARG A 17 -5.031 3.344 5.666 1.00 0.00 C ATOM 210 NE ARG A 17 -5.851 4.240 6.478 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.872 5.559 6.323 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.121 6.132 5.392 1.00 0.00 N ATOM 213 NH2 ARG A 17 -6.644 6.307 7.100 1.00 0.00 N ATOM 0 H ARG A 17 -6.827 3.923 2.039 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.667 1.481 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.519 2.798 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.421 1.483 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.594 3.118 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.789 4.351 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.104 2.330 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.985 3.641 5.743 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.439 3.830 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.526 5.560 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.139 7.145 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.222 5.869 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.659 7.320 6.980 1.00 0.00 H new ATOM 227 N HIS A 18 -8.930 1.109 2.662 1.00 0.00 N ATOM 228 CA HIS A 18 -10.021 0.145 2.571 1.00 0.00 C ATOM 229 C HIS A 18 -10.054 -0.511 1.194 1.00 0.00 C ATOM 230 O HIS A 18 -9.904 -1.726 1.071 1.00 0.00 O ATOM 231 CB HIS A 18 -11.358 0.829 2.855 1.00 0.00 C ATOM 232 CG HIS A 18 -11.737 0.826 4.304 1.00 0.00 C ATOM 233 ND1 HIS A 18 -11.483 1.884 5.151 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.357 -0.115 5.055 1.00 0.00 C ATOM 235 CE1 HIS A 18 -11.928 1.593 6.361 1.00 0.00 C ATOM 236 NE2 HIS A 18 -12.463 0.386 6.329 1.00 0.00 N ATOM 0 H HIS A 18 -9.211 2.036 2.983 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.851 -0.630 3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.312 1.859 2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.140 0.331 2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.704 -1.080 4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.865 2.233 7.228 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.886 -0.096 7.122 1.00 0.00 H new ATOM 245 N SER A 19 -10.251 0.303 0.161 1.00 0.00 N ATOM 246 CA SER A 19 -10.308 -0.199 -1.207 1.00 0.00 C ATOM 247 C SER A 19 -9.205 -1.224 -1.456 1.00 0.00 C ATOM 248 O SER A 19 -9.479 -2.390 -1.745 1.00 0.00 O ATOM 249 CB SER A 19 -10.180 0.956 -2.202 1.00 0.00 C ATOM 250 OG SER A 19 -10.767 0.623 -3.448 1.00 0.00 O ATOM 0 H SER A 19 -10.374 1.312 0.246 1.00 0.00 H new ATOM 0 HA SER A 19 -11.272 -0.687 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.662 1.845 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.128 1.201 -2.346 1.00 0.00 H new ATOM 0 HG SER A 19 -10.341 1.145 -4.160 1.00 0.00 H new ATOM 256 N LEU A 20 -7.958 -0.781 -1.342 1.00 0.00 N ATOM 257 CA LEU A 20 -6.812 -1.658 -1.555 1.00 0.00 C ATOM 258 C LEU A 20 -6.948 -2.939 -0.738 1.00 0.00 C ATOM 259 O LEU A 20 -7.036 -4.035 -1.291 1.00 0.00 O ATOM 260 CB LEU A 20 -5.516 -0.937 -1.182 1.00 0.00 C ATOM 261 CG LEU A 20 -5.067 0.172 -2.134 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.911 0.956 -1.533 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.676 -0.410 -3.484 1.00 0.00 C ATOM 0 H LEU A 20 -7.715 0.180 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.781 -1.924 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.636 -0.508 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.718 -1.677 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.902 0.856 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.605 1.741 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.227 1.405 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.072 0.285 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.359 0.394 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.856 -1.116 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.532 -0.925 -3.920 1.00 0.00 H new ATOM 275 N LYS A 21 -6.966 -2.793 0.583 1.00 0.00 N ATOM 276 CA LYS A 21 -7.095 -3.937 1.478 1.00 0.00 C ATOM 277 C LYS A 21 -8.130 -4.926 0.951 1.00 0.00 C ATOM 278 O LYS A 21 -7.820 -6.093 0.711 1.00 0.00 O ATOM 279 CB LYS A 21 -7.489 -3.470 2.881 1.00 0.00 C ATOM 280 CG LYS A 21 -7.591 -4.600 3.892 1.00 0.00 C ATOM 281 CD LYS A 21 -7.550 -4.078 5.318 1.00 0.00 C ATOM 282 CE LYS A 21 -8.942 -3.736 5.827 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.894 -2.835 7.011 1.00 0.00 N ATOM 0 H LYS A 21 -6.893 -1.893 1.057 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.129 -4.440 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.756 -2.744 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.448 -2.954 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.518 -5.150 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.772 -5.303 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.098 -4.827 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.917 -3.192 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.513 -3.259 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.468 -4.654 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.862 -2.626 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.371 -3.300 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.415 -1.949 6.754 1.00 0.00 H new ATOM 297 N ASP A 22 -9.358 -4.452 0.772 1.00 0.00 N ATOM 298 CA ASP A 22 -10.437 -5.295 0.271 1.00 0.00 C ATOM 299 C ASP A 22 -9.912 -6.304 -0.746 1.00 0.00 C ATOM 300 O ASP A 22 -10.055 -7.513 -0.566 1.00 0.00 O ATOM 301 CB ASP A 22 -11.531 -4.435 -0.364 1.00 0.00 C ATOM 302 CG ASP A 22 -12.892 -5.103 -0.317 1.00 0.00 C ATOM 303 OD1 ASP A 22 -12.942 -6.350 -0.353 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.907 -4.378 -0.247 1.00 0.00 O ATOM 0 H ASP A 22 -9.631 -3.489 0.966 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.858 -5.842 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.582 -3.477 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.268 -4.225 -1.401 1.00 0.00 H new ATOM 309 N ILE A 23 -9.304 -5.798 -1.813 1.00 0.00 N ATOM 310 CA ILE A 23 -8.757 -6.655 -2.858 1.00 0.00 C ATOM 311 C ILE A 23 -7.903 -7.769 -2.264 1.00 0.00 C ATOM 312 O ILE A 23 -8.153 -8.952 -2.501 1.00 0.00 O ATOM 313 CB ILE A 23 -7.907 -5.850 -3.859 1.00 0.00 C ATOM 314 CG1 ILE A 23 -8.810 -5.042 -4.794 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.007 -6.780 -4.658 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.048 -4.221 -5.810 1.00 0.00 C ATOM 0 H ILE A 23 -9.178 -4.799 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.606 -7.092 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.277 -5.156 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.479 -5.724 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.435 -4.378 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.413 -6.196 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.343 -7.316 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.619 -7.496 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.752 -3.675 -6.438 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.399 -3.514 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.443 -4.881 -6.432 1.00 0.00 H new ATOM 328 N LEU A 24 -6.894 -7.385 -1.490 1.00 0.00 N ATOM 329 CA LEU A 24 -6.002 -8.352 -0.859 1.00 0.00 C ATOM 330 C LEU A 24 -6.781 -9.302 0.044 1.00 0.00 C ATOM 331 O LEU A 24 -6.420 -10.469 0.192 1.00 0.00 O ATOM 332 CB LEU A 24 -4.924 -7.628 -0.050 1.00 0.00 C ATOM 333 CG LEU A 24 -4.033 -6.662 -0.831 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.216 -5.802 0.120 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.121 -7.426 -1.780 1.00 0.00 C ATOM 0 H LEU A 24 -6.673 -6.411 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.525 -8.938 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.411 -7.073 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.288 -8.377 0.421 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.672 -6.006 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.588 -5.121 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.887 -5.227 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.586 -6.441 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.494 -6.722 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.489 -8.106 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.726 -7.997 -2.484 1.00 0.00 H new ATOM 347 N MET A 25 -7.852 -8.794 0.646 1.00 0.00 N ATOM 348 CA MET A 25 -8.684 -9.599 1.532 1.00 0.00 C ATOM 349 C MET A 25 -9.553 -10.565 0.734 1.00 0.00 C ATOM 350 O MET A 25 -9.956 -11.615 1.236 1.00 0.00 O ATOM 351 CB MET A 25 -9.566 -8.697 2.397 1.00 0.00 C ATOM 352 CG MET A 25 -8.781 -7.685 3.217 1.00 0.00 C ATOM 353 SD MET A 25 -9.597 -7.265 4.769 1.00 0.00 S ATOM 354 CE MET A 25 -8.821 -8.430 5.885 1.00 0.00 C ATOM 0 H MET A 25 -8.164 -7.829 0.536 1.00 0.00 H new ATOM 0 HA MET A 25 -8.026 -10.180 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.268 -8.166 1.755 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.157 -9.318 3.070 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.790 -8.086 3.429 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.639 -6.778 2.629 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.566 -8.822 6.577 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.390 -9.251 5.312 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.034 -7.927 6.446 1.00 0.00 H new ATOM 364 N LYS A 26 -9.839 -10.204 -0.513 1.00 0.00 N ATOM 365 CA LYS A 26 -10.660 -11.039 -1.382 1.00 0.00 C ATOM 366 C LYS A 26 -9.802 -12.052 -2.132 1.00 0.00 C ATOM 367 O LYS A 26 -10.248 -13.162 -2.424 1.00 0.00 O ATOM 368 CB LYS A 26 -11.431 -10.170 -2.379 1.00 0.00 C ATOM 369 CG LYS A 26 -11.839 -10.909 -3.641 1.00 0.00 C ATOM 370 CD LYS A 26 -10.764 -10.821 -4.711 1.00 0.00 C ATOM 371 CE LYS A 26 -10.888 -9.540 -5.523 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.177 -9.477 -6.266 1.00 0.00 N ATOM 0 H LYS A 26 -9.514 -9.339 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.370 -11.582 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.324 -9.779 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.816 -9.313 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.033 -11.955 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.770 -10.491 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.780 -10.863 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.839 -11.682 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.810 -8.680 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.059 -9.475 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.074 -8.846 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.437 -10.430 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.922 -9.111 -5.639 1.00 0.00 H new ATOM 386 N ARG A 27 -8.569 -11.663 -2.440 1.00 0.00 N ATOM 387 CA ARG A 27 -7.649 -12.539 -3.156 1.00 0.00 C ATOM 388 C ARG A 27 -7.028 -13.564 -2.212 1.00 0.00 C ATOM 389 O ARG A 27 -6.592 -14.634 -2.640 1.00 0.00 O ATOM 390 CB ARG A 27 -6.548 -11.716 -3.828 1.00 0.00 C ATOM 391 CG ARG A 27 -7.068 -10.732 -4.863 1.00 0.00 C ATOM 392 CD ARG A 27 -7.629 -11.449 -6.081 1.00 0.00 C ATOM 393 NE ARG A 27 -6.603 -12.207 -6.791 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.854 -12.975 -7.845 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.091 -13.086 -8.309 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.866 -13.634 -8.438 1.00 0.00 N ATOM 0 H ARG A 27 -8.184 -10.748 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.214 -13.071 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.997 -11.168 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.841 -12.393 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.843 -10.109 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.262 -10.066 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.427 -12.123 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.074 -10.720 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.641 -12.143 -6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.853 -12.581 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.281 -13.677 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.913 -13.551 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.060 -14.224 -9.247 1.00 0.00 H new ATOM 410 N LEU A 28 -6.991 -13.230 -0.927 1.00 0.00 N ATOM 411 CA LEU A 28 -6.423 -14.121 0.079 1.00 0.00 C ATOM 412 C LEU A 28 -7.471 -15.105 0.589 1.00 0.00 C ATOM 413 O LEU A 28 -7.184 -16.285 0.795 1.00 0.00 O ATOM 414 CB LEU A 28 -5.858 -13.311 1.247 1.00 0.00 C ATOM 415 CG LEU A 28 -6.858 -12.911 2.333 1.00 0.00 C ATOM 416 CD1 LEU A 28 -7.084 -14.063 3.299 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.371 -11.676 3.077 1.00 0.00 C ATOM 0 H LEU A 28 -7.347 -12.349 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.616 -14.686 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.060 -13.890 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.404 -12.404 0.848 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.808 -12.672 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.798 -13.761 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.477 -14.922 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.139 -14.333 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.095 -11.406 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.409 -11.888 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.260 -10.849 2.376 1.00 0.00 H new ATOM 429 N THR A 29 -8.690 -14.613 0.788 1.00 0.00 N ATOM 430 CA THR A 29 -9.782 -15.449 1.273 1.00 0.00 C ATOM 431 C THR A 29 -10.121 -16.546 0.270 1.00 0.00 C ATOM 432 O THR A 29 -10.734 -17.554 0.622 1.00 0.00 O ATOM 433 CB THR A 29 -11.047 -14.615 1.550 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.923 -15.331 2.427 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.774 -14.287 0.255 1.00 0.00 C ATOM 0 H THR A 29 -8.946 -13.640 0.621 1.00 0.00 H new ATOM 0 HA THR A 29 -9.443 -15.903 2.204 1.00 0.00 H new ATOM 0 HB THR A 29 -10.743 -13.681 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.724 -14.794 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.664 -13.698 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 29 -11.114 -13.716 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.066 -15.212 -0.243 1.00 0.00 H new ATOM 443 N ASP A 30 -9.717 -16.344 -0.979 1.00 0.00 N ATOM 444 CA ASP A 30 -9.977 -17.319 -2.033 1.00 0.00 C ATOM 445 C ASP A 30 -8.846 -18.339 -2.120 1.00 0.00 C ATOM 446 O ASP A 30 -9.080 -19.546 -2.063 1.00 0.00 O ATOM 447 CB ASP A 30 -10.148 -16.612 -3.379 1.00 0.00 C ATOM 448 CG ASP A 30 -10.504 -17.574 -4.496 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.636 -18.101 -4.486 1.00 0.00 O ATOM 450 OD2 ASP A 30 -9.650 -17.800 -5.379 1.00 0.00 O ATOM 0 H ASP A 30 -9.209 -15.515 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.899 -17.846 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.928 -15.855 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.225 -16.091 -3.632 1.00 0.00 H new ATOM 455 N SER A 31 -7.620 -17.845 -2.261 1.00 0.00 N ATOM 456 CA SER A 31 -6.453 -18.714 -2.361 1.00 0.00 C ATOM 457 C SER A 31 -6.217 -19.460 -1.051 1.00 0.00 C ATOM 458 O SER A 31 -6.970 -19.303 -0.091 1.00 0.00 O ATOM 459 CB SER A 31 -5.212 -17.897 -2.727 1.00 0.00 C ATOM 460 OG SER A 31 -5.366 -17.274 -3.990 1.00 0.00 O ATOM 0 H SER A 31 -7.409 -16.848 -2.309 1.00 0.00 H new ATOM 0 HA SER A 31 -6.642 -19.446 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.033 -17.140 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.337 -18.546 -2.743 1.00 0.00 H new ATOM 0 HG SER A 31 -5.739 -16.376 -3.868 1.00 0.00 H new ATOM 466 N ASN A 32 -5.165 -20.272 -1.021 1.00 0.00 N ATOM 467 CA ASN A 32 -4.829 -21.043 0.169 1.00 0.00 C ATOM 468 C ASN A 32 -3.859 -20.273 1.061 1.00 0.00 C ATOM 469 O ASN A 32 -2.855 -20.818 1.522 1.00 0.00 O ATOM 470 CB ASN A 32 -4.216 -22.389 -0.225 1.00 0.00 C ATOM 471 CG ASN A 32 -5.080 -23.150 -1.212 1.00 0.00 C ATOM 472 OD1 ASN A 32 -6.132 -23.679 -0.854 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.639 -23.208 -2.463 1.00 0.00 N ATOM 0 H ASN A 32 -4.531 -20.413 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.748 -21.219 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.231 -22.223 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.071 -22.995 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.178 -23.706 -3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.761 -22.755 -2.716 1.00 0.00 H new ATOM 480 N LEU A 33 -4.167 -19.003 1.300 1.00 0.00 N ATOM 481 CA LEU A 33 -3.324 -18.156 2.137 1.00 0.00 C ATOM 482 C LEU A 33 -3.804 -18.170 3.585 1.00 0.00 C ATOM 483 O LEU A 33 -4.974 -17.905 3.865 1.00 0.00 O ATOM 484 CB LEU A 33 -3.317 -16.723 1.604 1.00 0.00 C ATOM 485 CG LEU A 33 -2.370 -16.445 0.436 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.716 -15.122 -0.230 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.924 -16.444 0.910 1.00 0.00 C ATOM 0 H LEU A 33 -4.994 -18.537 0.926 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.309 -18.553 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.330 -16.468 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.057 -16.053 2.424 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.489 -17.240 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.031 -14.942 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.738 -15.160 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.627 -14.315 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.264 -16.245 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.789 -15.670 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.681 -17.416 1.339 1.00 0.00 H new ATOM 499 N LYS A 34 -2.894 -18.479 4.502 1.00 0.00 N ATOM 500 CA LYS A 34 -3.223 -18.524 5.922 1.00 0.00 C ATOM 501 C LYS A 34 -2.776 -17.246 6.625 1.00 0.00 C ATOM 502 O LYS A 34 -2.808 -17.158 7.853 1.00 0.00 O ATOM 503 CB LYS A 34 -2.564 -19.738 6.581 1.00 0.00 C ATOM 504 CG LYS A 34 -3.268 -20.201 7.845 1.00 0.00 C ATOM 505 CD LYS A 34 -4.615 -20.831 7.534 1.00 0.00 C ATOM 506 CE LYS A 34 -5.598 -20.638 8.679 1.00 0.00 C ATOM 507 NZ LYS A 34 -5.522 -21.747 9.669 1.00 0.00 N ATOM 0 H LYS A 34 -1.922 -18.702 4.287 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.306 -18.610 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.540 -20.561 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.529 -19.494 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.640 -20.922 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.408 -19.353 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.023 -20.390 6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.484 -21.896 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.392 -19.691 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.611 -20.575 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.207 -21.578 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.743 -22.648 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.563 -21.791 10.068 1.00 0.00 H new ATOM 521 N VAL A 35 -2.362 -16.258 5.839 1.00 0.00 N ATOM 522 CA VAL A 35 -1.911 -14.984 6.386 1.00 0.00 C ATOM 523 C VAL A 35 -2.989 -14.348 7.257 1.00 0.00 C ATOM 524 O VAL A 35 -4.186 -14.550 7.054 1.00 0.00 O ATOM 525 CB VAL A 35 -1.523 -13.998 5.268 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.633 -14.681 4.240 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.768 -13.423 4.609 1.00 0.00 C ATOM 0 H VAL A 35 -2.329 -16.315 4.821 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.032 -15.195 6.995 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.962 -13.175 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.369 -13.970 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.274 -15.040 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.166 -15.523 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.475 -12.728 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.358 -14.232 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.364 -12.896 5.354 1.00 0.00 H new ATOM 537 N PRO A 36 -2.556 -13.559 8.252 1.00 0.00 N ATOM 538 CA PRO A 36 -3.468 -12.876 9.175 1.00 0.00 C ATOM 539 C PRO A 36 -4.249 -11.756 8.495 1.00 0.00 C ATOM 540 O PRO A 36 -3.889 -11.310 7.406 1.00 0.00 O ATOM 541 CB PRO A 36 -2.531 -12.304 10.241 1.00 0.00 C ATOM 542 CG PRO A 36 -1.220 -12.150 9.550 1.00 0.00 C ATOM 543 CD PRO A 36 -1.143 -13.273 8.553 1.00 0.00 C ATOM 0 HA PRO A 36 -4.226 -13.550 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.895 -11.348 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.451 -12.973 11.098 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.152 -11.182 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.396 -12.202 10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.593 -12.980 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.636 -14.144 8.967 1.00 0.00 H new ATOM 551 N GLU A 37 -5.318 -11.308 9.144 1.00 0.00 N ATOM 552 CA GLU A 37 -6.149 -10.240 8.601 1.00 0.00 C ATOM 553 C GLU A 37 -5.345 -8.953 8.440 1.00 0.00 C ATOM 554 O GLU A 37 -5.390 -8.308 7.393 1.00 0.00 O ATOM 555 CB GLU A 37 -7.356 -9.991 9.508 1.00 0.00 C ATOM 556 CG GLU A 37 -8.107 -8.710 9.183 1.00 0.00 C ATOM 557 CD GLU A 37 -9.003 -8.256 10.319 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.725 -9.105 10.882 1.00 0.00 O ATOM 559 OE2 GLU A 37 -8.980 -7.050 10.646 1.00 0.00 O ATOM 0 H GLU A 37 -5.629 -11.668 10.046 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.501 -10.553 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.041 -10.835 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.020 -9.952 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.391 -7.921 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.710 -8.864 8.288 1.00 0.00 H new ATOM 566 N GLU A 38 -4.611 -8.587 9.486 1.00 0.00 N ATOM 567 CA GLU A 38 -3.798 -7.376 9.462 1.00 0.00 C ATOM 568 C GLU A 38 -2.898 -7.350 8.230 1.00 0.00 C ATOM 569 O GLU A 38 -2.690 -6.301 7.621 1.00 0.00 O ATOM 570 CB GLU A 38 -2.948 -7.280 10.731 1.00 0.00 C ATOM 571 CG GLU A 38 -2.273 -8.587 11.111 1.00 0.00 C ATOM 572 CD GLU A 38 -3.139 -9.454 12.002 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.345 -9.155 12.132 1.00 0.00 O ATOM 574 OE2 GLU A 38 -2.612 -10.433 12.570 1.00 0.00 O ATOM 0 H GLU A 38 -4.562 -9.111 10.360 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.470 -6.519 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.185 -6.514 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.579 -6.953 11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.023 -9.139 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.334 -8.372 11.622 1.00 0.00 H new ATOM 581 N LYS A 39 -2.366 -8.513 7.869 1.00 0.00 N ATOM 582 CA LYS A 39 -1.488 -8.626 6.711 1.00 0.00 C ATOM 583 C LYS A 39 -1.981 -7.746 5.566 1.00 0.00 C ATOM 584 O LYS A 39 -1.260 -6.870 5.090 1.00 0.00 O ATOM 585 CB LYS A 39 -1.405 -10.083 6.248 1.00 0.00 C ATOM 586 CG LYS A 39 -0.562 -10.277 5.000 1.00 0.00 C ATOM 587 CD LYS A 39 0.848 -9.743 5.189 1.00 0.00 C ATOM 588 CE LYS A 39 0.958 -8.293 4.744 1.00 0.00 C ATOM 589 NZ LYS A 39 2.320 -7.971 4.235 1.00 0.00 N ATOM 0 H LYS A 39 -2.528 -9.391 8.362 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.495 -8.287 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.991 -10.689 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.412 -10.453 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.520 -11.337 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.034 -9.770 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.132 -9.825 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.549 -10.354 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.223 -8.096 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.719 -7.637 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.492 -6.949 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.030 -8.491 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.391 -8.247 3.235 1.00 0.00 H new ATOM 603 N ALA A 40 -3.213 -7.985 5.131 1.00 0.00 N ATOM 604 CA ALA A 40 -3.803 -7.211 4.045 1.00 0.00 C ATOM 605 C ALA A 40 -3.919 -5.738 4.421 1.00 0.00 C ATOM 606 O ALA A 40 -3.809 -4.859 3.566 1.00 0.00 O ATOM 607 CB ALA A 40 -5.169 -7.773 3.678 1.00 0.00 C ATOM 0 H ALA A 40 -3.822 -8.708 5.513 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.146 -7.287 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.598 -7.186 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.062 -8.810 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.827 -7.727 4.546 1.00 0.00 H new ATOM 613 N ALA A 41 -4.142 -5.475 5.704 1.00 0.00 N ATOM 614 CA ALA A 41 -4.271 -4.107 6.193 1.00 0.00 C ATOM 615 C ALA A 41 -2.940 -3.367 6.111 1.00 0.00 C ATOM 616 O ALA A 41 -2.799 -2.404 5.357 1.00 0.00 O ATOM 617 CB ALA A 41 -4.791 -4.105 7.622 1.00 0.00 C ATOM 0 H ALA A 41 -4.237 -6.191 6.424 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.986 -3.586 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.882 -3.078 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.768 -4.588 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.096 -4.648 8.263 1.00 0.00 H new ATOM 623 N LYS A 42 -1.966 -3.823 6.892 1.00 0.00 N ATOM 624 CA LYS A 42 -0.646 -3.204 6.908 1.00 0.00 C ATOM 625 C LYS A 42 -0.219 -2.796 5.501 1.00 0.00 C ATOM 626 O LYS A 42 0.215 -1.666 5.277 1.00 0.00 O ATOM 627 CB LYS A 42 0.384 -4.167 7.505 1.00 0.00 C ATOM 628 CG LYS A 42 0.096 -4.548 8.946 1.00 0.00 C ATOM 629 CD LYS A 42 0.970 -5.703 9.404 1.00 0.00 C ATOM 630 CE LYS A 42 1.041 -5.782 10.921 1.00 0.00 C ATOM 631 NZ LYS A 42 1.801 -4.639 11.501 1.00 0.00 N ATOM 0 H LYS A 42 -2.066 -4.619 7.522 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.700 -2.308 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.417 -5.072 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.372 -3.710 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.264 -3.686 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.954 -4.823 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.575 -6.639 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.974 -5.584 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.031 -5.793 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.514 -6.719 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.120 -4.885 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.627 -4.433 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.187 -3.801 11.545 1.00 0.00 H new ATOM 645 N VAL A 43 -0.347 -3.722 4.556 1.00 0.00 N ATOM 646 CA VAL A 43 0.023 -3.456 3.171 1.00 0.00 C ATOM 647 C VAL A 43 -0.693 -2.220 2.638 1.00 0.00 C ATOM 648 O VAL A 43 -0.057 -1.258 2.210 1.00 0.00 O ATOM 649 CB VAL A 43 -0.304 -4.657 2.263 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.143 -4.384 0.835 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.344 -5.923 2.801 1.00 0.00 C ATOM 0 H VAL A 43 -0.704 -4.663 4.724 1.00 0.00 H new ATOM 0 HA VAL A 43 1.099 -3.282 3.158 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.384 -4.803 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.096 -5.243 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.373 -3.502 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.219 -4.210 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.103 -6.761 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.425 -5.791 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.031 -6.126 3.804 1.00 0.00 H new ATOM 661 N ALA A 44 -2.021 -2.254 2.668 1.00 0.00 N ATOM 662 CA ALA A 44 -2.825 -1.135 2.190 1.00 0.00 C ATOM 663 C ALA A 44 -2.409 0.167 2.866 1.00 0.00 C ATOM 664 O ALA A 44 -2.373 1.224 2.234 1.00 0.00 O ATOM 665 CB ALA A 44 -4.303 -1.407 2.429 1.00 0.00 C ATOM 0 H ALA A 44 -2.563 -3.044 3.018 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.655 -1.029 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.891 -0.564 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.598 -2.310 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.480 -1.542 3.496 1.00 0.00 H new ATOM 671 N THR A 45 -2.095 0.086 4.155 1.00 0.00 N ATOM 672 CA THR A 45 -1.684 1.258 4.917 1.00 0.00 C ATOM 673 C THR A 45 -0.301 1.736 4.488 1.00 0.00 C ATOM 674 O THR A 45 0.034 2.911 4.634 1.00 0.00 O ATOM 675 CB THR A 45 -1.667 0.968 6.430 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.945 0.475 6.848 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.319 2.222 7.218 1.00 0.00 C ATOM 0 H THR A 45 -2.118 -0.780 4.693 1.00 0.00 H new ATOM 0 HA THR A 45 -2.416 2.039 4.712 1.00 0.00 H new ATOM 0 HB THR A 45 -0.905 0.213 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.080 -0.428 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.313 1.992 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.333 2.578 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.061 2.995 7.018 1.00 0.00 H new ATOM 685 N LYS A 46 0.498 0.817 3.956 1.00 0.00 N ATOM 686 CA LYS A 46 1.845 1.144 3.503 1.00 0.00 C ATOM 687 C LYS A 46 1.811 1.793 2.123 1.00 0.00 C ATOM 688 O LYS A 46 2.576 2.717 1.843 1.00 0.00 O ATOM 689 CB LYS A 46 2.712 -0.117 3.464 1.00 0.00 C ATOM 690 CG LYS A 46 3.046 -0.667 4.840 1.00 0.00 C ATOM 691 CD LYS A 46 4.271 0.011 5.430 1.00 0.00 C ATOM 692 CE LYS A 46 4.206 0.054 6.949 1.00 0.00 C ATOM 693 NZ LYS A 46 5.562 0.135 7.560 1.00 0.00 N ATOM 0 H LYS A 46 0.236 -0.160 3.828 1.00 0.00 H new ATOM 0 HA LYS A 46 2.277 1.853 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.195 -0.886 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.639 0.106 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.195 -0.525 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.221 -1.741 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.169 -0.522 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.351 1.025 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.614 0.914 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.695 -0.836 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.475 0.162 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.119 -0.698 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.041 0.997 7.230 1.00 0.00 H new ATOM 707 N ILE A 47 0.921 1.306 1.266 1.00 0.00 N ATOM 708 CA ILE A 47 0.787 1.842 -0.083 1.00 0.00 C ATOM 709 C ILE A 47 0.710 3.364 -0.065 1.00 0.00 C ATOM 710 O ILE A 47 1.494 4.043 -0.728 1.00 0.00 O ATOM 711 CB ILE A 47 -0.463 1.284 -0.789 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.436 -0.246 -0.788 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.551 1.818 -2.211 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.955 -0.825 -0.919 1.00 0.00 C ATOM 0 H ILE A 47 0.282 0.541 1.481 1.00 0.00 H new ATOM 0 HA ILE A 47 1.675 1.532 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.348 1.613 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.886 -0.609 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.052 -0.613 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.439 1.415 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.612 2.906 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.336 1.516 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.898 -1.913 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.401 -0.492 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.570 -0.488 -0.084 1.00 0.00 H new ATOM 726 N GLU A 48 -0.239 3.895 0.701 1.00 0.00 N ATOM 727 CA GLU A 48 -0.416 5.338 0.806 1.00 0.00 C ATOM 728 C GLU A 48 0.797 5.989 1.464 1.00 0.00 C ATOM 729 O GLU A 48 1.440 6.863 0.881 1.00 0.00 O ATOM 730 CB GLU A 48 -1.680 5.662 1.606 1.00 0.00 C ATOM 731 CG GLU A 48 -2.964 5.483 0.814 1.00 0.00 C ATOM 732 CD GLU A 48 -3.491 4.062 0.870 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.832 3.162 0.309 1.00 0.00 O ATOM 734 OE2 GLU A 48 -4.563 3.851 1.475 1.00 0.00 O ATOM 0 H GLU A 48 -0.896 3.347 1.257 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.520 5.740 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.715 5.023 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.622 6.691 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.723 6.163 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.787 5.760 -0.225 1.00 0.00 H new ATOM 741 N LYS A 49 1.103 5.559 2.683 1.00 0.00 N ATOM 742 CA LYS A 49 2.239 6.097 3.422 1.00 0.00 C ATOM 743 C LYS A 49 3.387 6.442 2.479 1.00 0.00 C ATOM 744 O LYS A 49 4.082 7.440 2.673 1.00 0.00 O ATOM 745 CB LYS A 49 2.713 5.092 4.474 1.00 0.00 C ATOM 746 CG LYS A 49 3.659 5.687 5.501 1.00 0.00 C ATOM 747 CD LYS A 49 3.890 4.736 6.663 1.00 0.00 C ATOM 748 CE LYS A 49 4.587 5.431 7.823 1.00 0.00 C ATOM 749 NZ LYS A 49 3.652 6.295 8.594 1.00 0.00 N ATOM 0 H LYS A 49 0.580 4.839 3.181 1.00 0.00 H new ATOM 0 HA LYS A 49 1.915 7.010 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.845 4.680 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.210 4.261 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.612 5.921 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.249 6.626 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.935 4.333 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.492 3.891 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.021 4.683 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.410 6.036 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.143 6.684 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.322 7.075 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.836 5.731 8.907 1.00 0.00 H new ATOM 763 N GLU A 50 3.580 5.612 1.459 1.00 0.00 N ATOM 764 CA GLU A 50 4.644 5.831 0.487 1.00 0.00 C ATOM 765 C GLU A 50 4.141 6.657 -0.693 1.00 0.00 C ATOM 766 O GLU A 50 4.810 7.588 -1.145 1.00 0.00 O ATOM 767 CB GLU A 50 5.195 4.493 -0.010 1.00 0.00 C ATOM 768 CG GLU A 50 6.463 4.625 -0.836 1.00 0.00 C ATOM 769 CD GLU A 50 7.519 5.472 -0.152 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.401 6.714 -0.195 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.463 4.892 0.424 1.00 0.00 O ATOM 0 H GLU A 50 3.013 4.782 1.285 1.00 0.00 H new ATOM 0 HA GLU A 50 5.444 6.384 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.396 3.851 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.432 3.995 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.869 3.633 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.219 5.066 -1.802 1.00 0.00 H new ATOM 778 N LEU A 51 2.959 6.310 -1.189 1.00 0.00 N ATOM 779 CA LEU A 51 2.365 7.018 -2.318 1.00 0.00 C ATOM 780 C LEU A 51 2.273 8.514 -2.035 1.00 0.00 C ATOM 781 O LEU A 51 2.836 9.330 -2.764 1.00 0.00 O ATOM 782 CB LEU A 51 0.974 6.458 -2.622 1.00 0.00 C ATOM 783 CG LEU A 51 0.488 6.614 -4.063 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.218 5.645 -4.981 1.00 0.00 C ATOM 785 CD2 LEU A 51 -1.016 6.398 -4.145 1.00 0.00 C ATOM 0 H LEU A 51 2.393 5.543 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 51 3.007 6.870 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.968 5.397 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.256 6.946 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 51 0.708 7.630 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.859 5.771 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.289 5.847 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.030 4.622 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.344 6.513 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.259 5.394 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.524 7.132 -3.519 1.00 0.00 H new ATOM 797 N PHE A 52 1.560 8.866 -0.970 1.00 0.00 N ATOM 798 CA PHE A 52 1.395 10.264 -0.589 1.00 0.00 C ATOM 799 C PHE A 52 2.745 10.908 -0.285 1.00 0.00 C ATOM 800 O PHE A 52 2.954 12.092 -0.549 1.00 0.00 O ATOM 801 CB PHE A 52 0.477 10.378 0.629 1.00 0.00 C ATOM 802 CG PHE A 52 0.115 11.794 0.977 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.727 12.529 0.159 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.618 12.389 2.123 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.062 13.832 0.477 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.287 13.691 2.446 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.554 14.414 1.621 1.00 0.00 C ATOM 0 H PHE A 52 1.087 8.203 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 52 0.941 10.792 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.436 9.814 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.965 9.915 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.127 12.079 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.276 11.829 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.720 14.394 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.685 14.143 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.813 15.432 1.871 1.00 0.00 H new ATOM 817 N SER A 53 3.657 10.119 0.274 1.00 0.00 N ATOM 818 CA SER A 53 4.986 10.612 0.619 1.00 0.00 C ATOM 819 C SER A 53 5.870 10.704 -0.621 1.00 0.00 C ATOM 820 O SER A 53 6.886 11.400 -0.622 1.00 0.00 O ATOM 821 CB SER A 53 5.638 9.698 1.658 1.00 0.00 C ATOM 822 OG SER A 53 6.924 10.171 2.018 1.00 0.00 O ATOM 0 H SER A 53 3.500 9.136 0.498 1.00 0.00 H new ATOM 0 HA SER A 53 4.878 11.611 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.007 9.642 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.718 8.687 1.259 1.00 0.00 H new ATOM 0 HG SER A 53 7.319 9.570 2.684 1.00 0.00 H new ATOM 828 N PHE A 54 5.476 9.997 -1.674 1.00 0.00 N ATOM 829 CA PHE A 54 6.233 9.997 -2.921 1.00 0.00 C ATOM 830 C PHE A 54 5.695 11.053 -3.883 1.00 0.00 C ATOM 831 O PHE A 54 6.447 11.637 -4.665 1.00 0.00 O ATOM 832 CB PHE A 54 6.175 8.616 -3.578 1.00 0.00 C ATOM 833 CG PHE A 54 7.026 8.503 -4.810 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.408 8.544 -4.720 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.444 8.354 -6.059 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.193 8.440 -5.853 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.224 8.249 -7.195 1.00 0.00 C ATOM 838 CZ PHE A 54 8.600 8.291 -7.092 1.00 0.00 C ATOM 0 H PHE A 54 4.637 9.417 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 54 7.270 10.237 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.494 7.865 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.141 8.389 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.877 8.658 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.368 8.320 -6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.269 8.475 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.758 8.134 -8.162 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.212 8.208 -7.978 1.00 0.00 H new ATOM 848 N PHE A 55 4.390 11.292 -3.820 1.00 0.00 N ATOM 849 CA PHE A 55 3.750 12.276 -4.686 1.00 0.00 C ATOM 850 C PHE A 55 3.508 13.584 -3.937 1.00 0.00 C ATOM 851 O PHE A 55 3.235 14.618 -4.546 1.00 0.00 O ATOM 852 CB PHE A 55 2.426 11.730 -5.223 1.00 0.00 C ATOM 853 CG PHE A 55 2.588 10.828 -6.413 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.929 11.348 -7.651 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.399 9.461 -6.294 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.079 10.522 -8.749 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.548 8.629 -7.388 1.00 0.00 C ATOM 858 CZ PHE A 55 2.887 9.160 -8.617 1.00 0.00 C ATOM 0 H PHE A 55 3.754 10.818 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 55 4.419 12.476 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.919 11.182 -4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.781 12.566 -5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.079 12.412 -7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.132 9.040 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.346 10.940 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.399 7.565 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.002 8.512 -9.473 1.00 0.00 H new ATOM 868 N ARG A 56 3.609 13.528 -2.613 1.00 0.00 N ATOM 869 CA ARG A 56 3.400 14.706 -1.781 1.00 0.00 C ATOM 870 C ARG A 56 2.178 15.492 -2.248 1.00 0.00 C ATOM 871 O ARG A 56 2.115 16.711 -2.094 1.00 0.00 O ATOM 872 CB ARG A 56 4.638 15.604 -1.810 1.00 0.00 C ATOM 873 CG ARG A 56 5.812 15.048 -1.022 1.00 0.00 C ATOM 874 CD ARG A 56 7.058 15.900 -1.202 1.00 0.00 C ATOM 875 NE ARG A 56 6.768 17.327 -1.083 1.00 0.00 N ATOM 876 CZ ARG A 56 7.627 18.282 -1.417 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.825 17.966 -1.889 1.00 0.00 N ATOM 878 NH2 ARG A 56 7.289 19.558 -1.280 1.00 0.00 N ATOM 0 H ARG A 56 3.834 12.679 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 56 3.226 14.371 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.944 15.753 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.375 16.584 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.552 15.001 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.018 14.028 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.801 15.618 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.496 15.699 -2.180 1.00 0.00 H new ATOM 0 HE ARG A 56 5.855 17.605 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.089 16.987 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.483 18.702 -2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.368 19.806 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.950 20.291 -1.537 1.00 0.00 H new ATOM 892 N ASP A 57 1.210 14.784 -2.820 1.00 0.00 N ATOM 893 CA ASP A 57 -0.011 15.414 -3.310 1.00 0.00 C ATOM 894 C ASP A 57 -1.026 14.364 -3.751 1.00 0.00 C ATOM 895 O ASP A 57 -0.661 13.242 -4.104 1.00 0.00 O ATOM 896 CB ASP A 57 0.307 16.355 -4.473 1.00 0.00 C ATOM 897 CG ASP A 57 0.635 17.760 -4.008 1.00 0.00 C ATOM 898 OD1 ASP A 57 -0.286 18.460 -3.536 1.00 0.00 O ATOM 899 OD2 ASP A 57 1.813 18.160 -4.116 1.00 0.00 O ATOM 0 H ASP A 57 1.247 13.774 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.445 15.991 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.149 15.957 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.545 16.390 -5.152 1.00 0.00 H new ATOM 904 N THR A 58 -2.302 14.735 -3.728 1.00 0.00 N ATOM 905 CA THR A 58 -3.370 13.825 -4.123 1.00 0.00 C ATOM 906 C THR A 58 -4.014 14.269 -5.431 1.00 0.00 C ATOM 907 O THR A 58 -5.239 14.313 -5.547 1.00 0.00 O ATOM 908 CB THR A 58 -4.456 13.728 -3.036 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.923 15.037 -2.691 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.918 13.033 -1.794 1.00 0.00 C ATOM 0 H THR A 58 -2.621 15.660 -3.440 1.00 0.00 H new ATOM 0 HA THR A 58 -2.915 12.844 -4.260 1.00 0.00 H new ATOM 0 HB THR A 58 -5.284 13.140 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.615 14.966 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.703 12.976 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.591 12.026 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.074 13.598 -1.398 1.00 0.00 H new ATOM 918 N ASP A 59 -3.183 14.597 -6.414 1.00 0.00 N ATOM 919 CA ASP A 59 -3.672 15.036 -7.715 1.00 0.00 C ATOM 920 C ASP A 59 -3.873 13.847 -8.650 1.00 0.00 C ATOM 921 O ASP A 59 -3.718 12.695 -8.246 1.00 0.00 O ATOM 922 CB ASP A 59 -2.696 16.034 -8.341 1.00 0.00 C ATOM 923 CG ASP A 59 -3.388 17.025 -9.256 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.912 18.037 -8.747 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.407 16.787 -10.483 1.00 0.00 O ATOM 0 H ASP A 59 -2.167 14.567 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.635 15.526 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.177 16.575 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.938 15.491 -8.905 1.00 0.00 H new ATOM 930 N ALA A 60 -4.218 14.136 -9.901 1.00 0.00 N ATOM 931 CA ALA A 60 -4.439 13.091 -10.893 1.00 0.00 C ATOM 932 C ALA A 60 -3.309 12.067 -10.872 1.00 0.00 C ATOM 933 O ALA A 60 -3.550 10.860 -10.903 1.00 0.00 O ATOM 934 CB ALA A 60 -4.576 13.701 -12.280 1.00 0.00 C ATOM 0 H ALA A 60 -4.350 15.085 -10.251 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.366 12.575 -10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.741 12.909 -13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.422 14.389 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.664 14.243 -12.531 1.00 0.00 H new ATOM 940 N LYS A 61 -2.074 12.556 -10.820 1.00 0.00 N ATOM 941 CA LYS A 61 -0.906 11.684 -10.795 1.00 0.00 C ATOM 942 C LYS A 61 -1.000 10.682 -9.649 1.00 0.00 C ATOM 943 O LYS A 61 -0.541 9.546 -9.766 1.00 0.00 O ATOM 944 CB LYS A 61 0.372 12.514 -10.657 1.00 0.00 C ATOM 945 CG LYS A 61 0.341 13.492 -9.495 1.00 0.00 C ATOM 946 CD LYS A 61 1.596 14.346 -9.451 1.00 0.00 C ATOM 947 CE LYS A 61 1.501 15.526 -10.406 1.00 0.00 C ATOM 948 NZ LYS A 61 1.756 15.121 -11.816 1.00 0.00 N ATOM 0 H LYS A 61 -1.857 13.552 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.875 11.133 -11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.220 11.841 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.538 13.067 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.535 14.135 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.241 12.943 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.754 14.710 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.462 13.736 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.511 15.975 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.221 16.290 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.285 15.873 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.312 14.242 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.850 14.965 -12.302 1.00 0.00 H new ATOM 962 N TYR A 62 -1.598 11.109 -8.543 1.00 0.00 N ATOM 963 CA TYR A 62 -1.751 10.249 -7.375 1.00 0.00 C ATOM 964 C TYR A 62 -2.730 9.114 -7.659 1.00 0.00 C ATOM 965 O TYR A 62 -2.367 7.939 -7.615 1.00 0.00 O ATOM 966 CB TYR A 62 -2.234 11.065 -6.174 1.00 0.00 C ATOM 967 CG TYR A 62 -2.445 10.238 -4.926 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.403 10.010 -4.036 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.686 9.685 -4.637 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.591 9.255 -2.895 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.884 8.929 -3.498 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.833 8.717 -2.630 1.00 0.00 C ATOM 973 OH TYR A 62 -3.025 7.964 -1.494 1.00 0.00 O ATOM 0 H TYR A 62 -1.985 12.046 -8.430 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.778 9.816 -7.144 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.507 11.849 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.170 11.560 -6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.429 10.430 -4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.511 9.849 -5.315 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.770 9.087 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.856 8.507 -3.288 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.985 7.862 -1.328 1.00 0.00 H new ATOM 983 N LYS A 63 -3.975 9.474 -7.952 1.00 0.00 N ATOM 984 CA LYS A 63 -5.008 8.489 -8.246 1.00 0.00 C ATOM 985 C LYS A 63 -4.580 7.577 -9.392 1.00 0.00 C ATOM 986 O LYS A 63 -4.689 6.355 -9.298 1.00 0.00 O ATOM 987 CB LYS A 63 -6.323 9.188 -8.601 1.00 0.00 C ATOM 988 CG LYS A 63 -7.026 9.804 -7.404 1.00 0.00 C ATOM 989 CD LYS A 63 -6.549 11.223 -7.146 1.00 0.00 C ATOM 990 CE LYS A 63 -7.566 12.016 -6.340 1.00 0.00 C ATOM 991 NZ LYS A 63 -8.771 12.354 -7.147 1.00 0.00 N ATOM 0 H LYS A 63 -4.293 10.442 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.157 7.879 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.123 9.968 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.991 8.468 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.103 9.807 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.845 9.192 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.600 11.197 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.366 11.725 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.865 11.439 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.104 12.933 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.299 13.119 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.478 12.665 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.379 11.515 -7.231 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.092 8.179 -10.471 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.646 7.421 -11.634 1.00 0.00 C ATOM 1007 C ASN A 64 -2.763 6.249 -11.214 1.00 0.00 C ATOM 1008 O ASN A 64 -2.807 5.177 -11.817 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.882 8.329 -12.599 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.789 7.742 -13.995 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -3.805 7.456 -14.629 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.566 7.559 -14.479 1.00 0.00 N ATOM 0 H ASN A 64 -3.995 9.190 -10.564 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.528 7.026 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.376 9.300 -12.648 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.877 8.502 -12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.440 7.167 -15.412 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.752 7.811 -13.918 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.963 6.462 -10.175 1.00 0.00 N ATOM 1020 CA LYS A 65 -1.070 5.425 -9.671 1.00 0.00 C ATOM 1021 C LYS A 65 -1.827 4.438 -8.787 1.00 0.00 C ATOM 1022 O LYS A 65 -1.701 3.224 -8.947 1.00 0.00 O ATOM 1023 CB LYS A 65 0.081 6.053 -8.883 1.00 0.00 C ATOM 1024 CG LYS A 65 1.040 5.034 -8.291 1.00 0.00 C ATOM 1025 CD LYS A 65 1.673 4.172 -9.370 1.00 0.00 C ATOM 1026 CE LYS A 65 2.617 4.980 -10.247 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.791 5.485 -9.482 1.00 0.00 N ATOM 0 H LYS A 65 -1.915 7.344 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.664 4.883 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.636 6.724 -9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.330 6.663 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.820 5.550 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.507 4.399 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.219 3.350 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.892 3.728 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.962 4.361 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.078 5.822 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.435 5.987 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.467 6.137 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.292 4.684 -9.046 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.612 4.968 -7.856 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.388 4.133 -6.946 1.00 0.00 C ATOM 1043 C TYR A 66 -4.234 3.126 -7.718 1.00 0.00 C ATOM 1044 O TYR A 66 -4.212 1.930 -7.430 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.287 5.003 -6.065 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.567 4.317 -5.644 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.538 3.125 -4.932 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.806 4.862 -5.960 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.706 2.495 -4.546 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.978 4.239 -5.577 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.923 3.056 -4.871 1.00 0.00 C ATOM 1052 OH TYR A 66 -9.089 2.432 -4.489 1.00 0.00 O ATOM 0 H TYR A 66 -2.728 5.971 -7.711 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.691 3.584 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.733 5.298 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.535 5.917 -6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.587 2.683 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.853 5.788 -6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.666 1.568 -3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.933 4.676 -5.829 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.857 2.958 -4.796 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.980 3.620 -8.702 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.834 2.765 -9.516 1.00 0.00 C ATOM 1064 C ARG A 67 -5.002 1.766 -10.314 1.00 0.00 C ATOM 1065 O ARG A 67 -5.419 0.629 -10.532 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.682 3.612 -10.467 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.865 4.370 -11.500 1.00 0.00 C ATOM 1068 CD ARG A 67 -5.679 3.554 -12.770 1.00 0.00 C ATOM 1069 NE ARG A 67 -6.955 3.172 -13.368 1.00 0.00 N ATOM 1070 CZ ARG A 67 -7.060 2.426 -14.462 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -5.970 1.984 -15.074 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -8.258 2.120 -14.945 1.00 0.00 N ATOM 0 H ARG A 67 -5.009 4.608 -8.954 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.493 2.211 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.392 2.964 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.265 4.324 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.361 5.310 -11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.890 4.622 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.100 4.132 -13.490 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.102 2.657 -12.543 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.813 3.496 -12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.048 2.217 -14.705 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.053 1.411 -15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.098 2.458 -14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.338 1.547 -15.785 1.00 0.00 H new ATOM 1086 N SER A 68 -3.822 2.199 -10.748 1.00 0.00 N ATOM 1087 CA SER A 68 -2.932 1.345 -11.525 1.00 0.00 C ATOM 1088 C SER A 68 -2.351 0.233 -10.657 1.00 0.00 C ATOM 1089 O SER A 68 -2.194 -0.904 -11.105 1.00 0.00 O ATOM 1090 CB SER A 68 -1.801 2.173 -12.138 1.00 0.00 C ATOM 1091 OG SER A 68 -1.073 1.416 -13.089 1.00 0.00 O ATOM 0 H SER A 68 -3.461 3.137 -10.574 1.00 0.00 H new ATOM 0 HA SER A 68 -3.514 0.890 -12.326 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.214 3.062 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.130 2.517 -11.351 1.00 0.00 H new ATOM 0 HG SER A 68 -0.357 1.968 -13.467 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.033 0.569 -9.411 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.469 -0.400 -8.478 1.00 0.00 C ATOM 1099 C LEU A 69 -2.489 -1.479 -8.130 1.00 0.00 C ATOM 1100 O LEU A 69 -2.164 -2.665 -8.094 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.999 0.304 -7.204 1.00 0.00 C ATOM 1102 CG LEU A 69 0.204 1.235 -7.355 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.768 1.606 -5.992 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.276 0.585 -8.219 1.00 0.00 C ATOM 0 H LEU A 69 -2.156 1.505 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.615 -0.876 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.832 0.882 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.754 -0.456 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.128 2.149 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.624 2.269 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.001 2.113 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.084 0.702 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.125 1.262 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.604 -0.345 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.867 0.372 -9.207 1.00 0.00 H new ATOM 1116 N MET A 70 -3.724 -1.059 -7.877 1.00 0.00 N ATOM 1117 CA MET A 70 -4.793 -1.991 -7.536 1.00 0.00 C ATOM 1118 C MET A 70 -5.379 -2.629 -8.791 1.00 0.00 C ATOM 1119 O MET A 70 -6.104 -3.621 -8.714 1.00 0.00 O ATOM 1120 CB MET A 70 -5.894 -1.273 -6.753 1.00 0.00 C ATOM 1121 CG MET A 70 -6.981 -0.682 -7.636 1.00 0.00 C ATOM 1122 SD MET A 70 -8.218 0.233 -6.697 1.00 0.00 S ATOM 1123 CE MET A 70 -8.228 -0.690 -5.162 1.00 0.00 C ATOM 0 H MET A 70 -4.009 -0.080 -7.902 1.00 0.00 H new ATOM 0 HA MET A 70 -4.369 -2.779 -6.913 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.347 -1.975 -6.053 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.446 -0.476 -6.160 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.526 -0.019 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.470 -1.484 -8.189 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.239 -0.710 -4.756 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.891 -1.710 -5.348 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.559 -0.212 -4.446 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.060 -2.054 -9.946 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.557 -2.567 -11.218 1.00 0.00 C ATOM 1135 C PHE A 71 -4.872 -3.881 -11.579 1.00 0.00 C ATOM 1136 O PHE A 71 -5.486 -4.773 -12.162 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.331 -1.539 -12.329 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.569 -2.085 -13.708 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.857 -2.301 -14.169 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.504 -2.383 -14.542 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.080 -2.803 -15.438 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -4.720 -2.885 -15.812 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.010 -3.096 -16.260 1.00 0.00 C ATOM 0 H PHE A 71 -4.460 -1.233 -10.028 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.626 -2.752 -11.115 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.991 -0.687 -12.165 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.309 -1.166 -12.266 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.697 -2.075 -13.530 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.494 -2.221 -14.196 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.090 -2.966 -15.786 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.881 -3.112 -16.453 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.181 -3.489 -17.251 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.595 -3.992 -11.228 1.00 0.00 N ATOM 1154 CA ASN A 72 -2.825 -5.197 -11.516 1.00 0.00 C ATOM 1155 C ASN A 72 -3.107 -6.283 -10.481 1.00 0.00 C ATOM 1156 O ASN A 72 -2.721 -7.439 -10.658 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.329 -4.877 -11.541 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.046 -3.473 -12.039 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.533 -2.632 -11.300 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.381 -3.213 -13.297 1.00 0.00 N ATOM 0 H ASN A 72 -3.072 -3.263 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.127 -5.566 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.919 -4.993 -10.538 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.817 -5.596 -12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.215 -2.285 -13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.804 -3.941 -13.873 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.782 -5.903 -9.403 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.118 -6.844 -8.339 1.00 0.00 C ATOM 1169 C LEU A 73 -5.460 -7.516 -8.610 1.00 0.00 C ATOM 1170 O LEU A 73 -5.614 -8.722 -8.413 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.157 -6.126 -6.989 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.849 -5.476 -6.536 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.122 -4.386 -5.511 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.904 -6.523 -5.965 1.00 0.00 C ATOM 0 H LEU A 73 -4.108 -4.950 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.347 -7.614 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.926 -5.355 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.466 -6.842 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.372 -5.019 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.180 -3.935 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.762 -3.622 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.621 -4.819 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.978 -6.043 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.373 -7.008 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.683 -7.269 -6.729 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.429 -6.729 -9.065 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.758 -7.248 -9.367 1.00 0.00 C ATOM 1188 C LYS A 74 -7.785 -7.905 -10.743 1.00 0.00 C ATOM 1189 O LYS A 74 -8.673 -8.705 -11.042 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.792 -6.122 -9.307 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.660 -5.113 -10.436 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.120 -3.731 -10.004 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.632 -3.592 -10.098 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.328 -4.394 -9.054 1.00 0.00 N ATOM 0 H LYS A 74 -6.319 -5.729 -9.233 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.006 -8.001 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.791 -6.556 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.696 -5.602 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.622 -5.066 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.250 -5.443 -11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.799 -3.543 -8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.645 -2.976 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.908 -2.543 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.966 -3.913 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.199 -3.905 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.568 -5.330 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.704 -4.507 -8.230 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.808 -7.564 -11.577 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.720 -8.124 -12.920 1.00 0.00 C ATOM 1210 C ASP A 75 -6.554 -9.639 -12.868 1.00 0.00 C ATOM 1211 O ASP A 75 -5.708 -10.171 -12.149 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.550 -7.496 -13.681 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.958 -6.251 -14.444 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.176 -6.012 -14.584 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.058 -5.515 -14.901 1.00 0.00 O ATOM 0 H ASP A 75 -6.066 -6.903 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.649 -7.897 -13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.756 -7.244 -12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.139 -8.227 -14.377 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.381 -10.352 -13.647 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.346 -11.817 -13.707 1.00 0.00 C ATOM 1222 C PRO A 76 -6.090 -12.339 -14.395 1.00 0.00 C ATOM 1223 O PRO A 76 -5.627 -13.444 -14.111 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.590 -12.168 -14.527 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.848 -10.960 -15.360 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.414 -9.784 -14.530 1.00 0.00 C ATOM 0 HA PRO A 76 -7.333 -12.265 -12.714 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.420 -13.048 -15.148 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.439 -12.393 -13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.290 -11.005 -16.295 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.903 -10.885 -15.622 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.016 -8.980 -15.149 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.244 -9.366 -13.960 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.541 -11.537 -15.302 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.336 -11.917 -16.030 1.00 0.00 C ATOM 1236 C LYS A 77 -3.097 -11.750 -15.156 1.00 0.00 C ATOM 1237 O LYS A 77 -1.990 -12.109 -15.557 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.195 -11.074 -17.299 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.080 -9.583 -17.030 1.00 0.00 C ATOM 1240 CD LYS A 77 -2.631 -9.159 -16.855 1.00 0.00 C ATOM 1241 CE LYS A 77 -1.984 -8.822 -18.189 1.00 0.00 C ATOM 1242 NZ LYS A 77 -2.149 -7.383 -18.538 1.00 0.00 N ATOM 0 H LYS A 77 -5.912 -10.620 -15.550 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.425 -12.967 -16.307 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.314 -11.404 -17.848 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.057 -11.253 -17.942 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.526 -9.028 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.645 -9.329 -16.133 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.582 -8.292 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.072 -9.960 -16.371 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.923 -9.067 -18.150 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.425 -9.439 -18.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.694 -7.194 -19.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.162 -7.155 -18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.706 -6.795 -17.804 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.290 -11.204 -13.960 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.188 -10.991 -13.030 1.00 0.00 C ATOM 1258 C ASN A 78 -2.530 -11.536 -11.647 1.00 0.00 C ATOM 1259 O ASN A 78 -2.866 -10.780 -10.736 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.855 -9.500 -12.934 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.428 -9.255 -12.482 1.00 0.00 C ATOM 1262 OD1 ASN A 78 0.518 -9.796 -13.054 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.268 -8.434 -11.451 1.00 0.00 N ATOM 0 H ASN A 78 -4.200 -10.901 -13.612 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.318 -11.528 -13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.011 -9.032 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.542 -9.021 -12.236 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.669 -8.229 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.082 -8.008 -11.007 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.442 -12.854 -11.498 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.742 -13.501 -10.226 1.00 0.00 C ATOM 1272 C ASN A 79 -1.459 -13.897 -9.501 1.00 0.00 C ATOM 1273 O ASN A 79 -1.297 -15.046 -9.088 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.615 -14.737 -10.452 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.881 -15.835 -11.197 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.651 -15.735 -12.402 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -2.511 -16.890 -10.481 1.00 0.00 N ATOM 0 H ASN A 79 -2.165 -13.494 -12.242 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.285 -12.789 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.955 -15.119 -9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.505 -14.452 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.015 -17.661 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.723 -16.930 -9.484 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.552 -12.938 -9.350 1.00 0.00 N ATOM 1285 CA ILE A 80 0.715 -13.187 -8.673 1.00 0.00 C ATOM 1286 C ILE A 80 1.043 -12.066 -7.692 1.00 0.00 C ATOM 1287 O ILE A 80 1.332 -12.317 -6.521 1.00 0.00 O ATOM 1288 CB ILE A 80 1.873 -13.327 -9.680 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.447 -14.203 -10.860 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.101 -13.910 -8.997 1.00 0.00 C ATOM 1291 CD1 ILE A 80 1.593 -15.685 -10.597 1.00 0.00 C ATOM 0 H ILE A 80 -0.670 -11.983 -9.687 1.00 0.00 H new ATOM 0 HA ILE A 80 0.603 -14.124 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 80 2.128 -12.337 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.407 -13.987 -11.106 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.043 -13.937 -11.733 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.910 -14.003 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.413 -13.252 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.860 -14.894 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.273 -16.244 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.636 -15.915 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.975 -15.966 -9.744 1.00 0.00 H new ATOM 1303 N LEU A 81 0.995 -10.830 -8.176 1.00 0.00 N ATOM 1304 CA LEU A 81 1.286 -9.670 -7.342 1.00 0.00 C ATOM 1305 C LEU A 81 0.548 -9.759 -6.009 1.00 0.00 C ATOM 1306 O LEU A 81 1.168 -9.798 -4.946 1.00 0.00 O ATOM 1307 CB LEU A 81 0.893 -8.383 -8.069 1.00 0.00 C ATOM 1308 CG LEU A 81 1.714 -7.140 -7.724 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.195 -7.396 -7.957 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.242 -5.945 -8.540 1.00 0.00 C ATOM 0 H LEU A 81 0.757 -10.605 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 81 2.358 -9.656 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.969 -8.558 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.155 -8.173 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 81 1.568 -6.914 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.763 -6.500 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.525 -8.223 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.360 -7.649 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.838 -5.070 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.357 -6.161 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.193 -5.747 -8.322 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.779 -9.794 -6.074 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.601 -9.881 -4.873 1.00 0.00 C ATOM 1324 C PHE A 82 -0.962 -10.806 -3.842 1.00 0.00 C ATOM 1325 O PHE A 82 -1.151 -10.637 -2.637 1.00 0.00 O ATOM 1326 CB PHE A 82 -3.003 -10.382 -5.225 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.120 -11.879 -5.235 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.148 -12.593 -4.048 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.201 -12.573 -6.431 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.256 -13.971 -4.053 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.310 -13.951 -6.443 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.336 -14.651 -5.253 1.00 0.00 C ATOM 0 H PHE A 82 -1.308 -9.763 -6.946 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.677 -8.883 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.716 -9.975 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.282 -9.997 -6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.085 -12.066 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.179 -12.031 -7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.278 -14.515 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.375 -14.480 -7.382 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.419 -15.728 -5.260 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.204 -11.786 -4.324 1.00 0.00 N ATOM 1343 CA LYS A 83 0.465 -12.739 -3.446 1.00 0.00 C ATOM 1344 C LYS A 83 1.877 -12.271 -3.112 1.00 0.00 C ATOM 1345 O LYS A 83 2.196 -12.003 -1.953 1.00 0.00 O ATOM 1346 CB LYS A 83 0.515 -14.120 -4.104 1.00 0.00 C ATOM 1347 CG LYS A 83 1.195 -15.176 -3.249 1.00 0.00 C ATOM 1348 CD LYS A 83 1.328 -16.494 -3.993 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.018 -17.186 -4.145 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.051 -18.330 -5.095 1.00 0.00 N ATOM 0 H LYS A 83 -0.038 -11.941 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.105 -12.805 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.502 -14.444 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.040 -14.041 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.183 -14.824 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.622 -15.329 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.760 -16.315 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.016 -17.148 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.355 -17.542 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.759 -16.467 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.886 -18.775 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.348 -17.987 -6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.739 -19.029 -4.748 1.00 0.00 H new ATOM 1364 N LYS A 84 2.722 -12.175 -4.133 1.00 0.00 N ATOM 1365 CA LYS A 84 4.100 -11.738 -3.949 1.00 0.00 C ATOM 1366 C LYS A 84 4.196 -10.696 -2.839 1.00 0.00 C ATOM 1367 O LYS A 84 5.106 -10.739 -2.011 1.00 0.00 O ATOM 1368 CB LYS A 84 4.653 -11.160 -5.254 1.00 0.00 C ATOM 1369 CG LYS A 84 4.811 -12.192 -6.357 1.00 0.00 C ATOM 1370 CD LYS A 84 5.343 -11.566 -7.635 1.00 0.00 C ATOM 1371 CE LYS A 84 4.359 -10.561 -8.214 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.755 -10.121 -9.581 1.00 0.00 N ATOM 0 H LYS A 84 2.475 -12.395 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 84 4.695 -12.606 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.989 -10.368 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.621 -10.700 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.490 -12.978 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.849 -12.664 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.293 -11.071 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.541 -12.347 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.364 -11.006 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.297 -9.693 -7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.042 -9.463 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.678 -9.644 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.822 -10.949 -10.206 1.00 0.00 H new ATOM 1386 N VAL A 85 3.251 -9.762 -2.826 1.00 0.00 N ATOM 1387 CA VAL A 85 3.228 -8.711 -1.816 1.00 0.00 C ATOM 1388 C VAL A 85 2.933 -9.283 -0.434 1.00 0.00 C ATOM 1389 O VAL A 85 3.743 -9.161 0.486 1.00 0.00 O ATOM 1390 CB VAL A 85 2.177 -7.635 -2.149 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.862 -6.797 -0.919 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.658 -6.757 -3.294 1.00 0.00 C ATOM 0 H VAL A 85 2.491 -9.712 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 85 4.217 -8.253 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 85 1.260 -8.133 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.118 -6.042 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.471 -7.440 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.771 -6.307 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.903 -6.003 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.589 -6.266 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.827 -7.372 -4.178 1.00 0.00 H new ATOM 1402 N LEU A 86 1.770 -9.909 -0.295 1.00 0.00 N ATOM 1403 CA LEU A 86 1.367 -10.502 0.976 1.00 0.00 C ATOM 1404 C LEU A 86 2.460 -11.416 1.520 1.00 0.00 C ATOM 1405 O LEU A 86 2.887 -11.276 2.666 1.00 0.00 O ATOM 1406 CB LEU A 86 0.066 -11.288 0.804 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.227 -10.498 1.004 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.226 -9.245 0.142 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.437 -11.365 0.686 1.00 0.00 C ATOM 0 H LEU A 86 1.089 -10.019 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 86 1.205 -9.696 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.054 -11.718 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.072 -12.120 1.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.287 -10.195 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.154 -8.695 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.381 -8.615 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.142 -9.526 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.349 -10.786 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.383 -11.699 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.447 -12.232 1.346 1.00 0.00 H new ATOM 1421 N LYS A 87 2.910 -12.351 0.691 1.00 0.00 N ATOM 1422 CA LYS A 87 3.955 -13.287 1.086 1.00 0.00 C ATOM 1423 C LYS A 87 5.209 -12.544 1.536 1.00 0.00 C ATOM 1424 O LYS A 87 5.823 -12.894 2.543 1.00 0.00 O ATOM 1425 CB LYS A 87 4.295 -14.225 -0.074 1.00 0.00 C ATOM 1426 CG LYS A 87 4.820 -15.578 0.371 1.00 0.00 C ATOM 1427 CD LYS A 87 3.723 -16.426 0.993 1.00 0.00 C ATOM 1428 CE LYS A 87 2.829 -17.046 -0.070 1.00 0.00 C ATOM 1429 NZ LYS A 87 1.971 -18.128 0.490 1.00 0.00 N ATOM 0 H LYS A 87 2.566 -12.481 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 87 3.582 -13.876 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.403 -14.373 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.040 -13.747 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.246 -16.103 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.625 -15.437 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.170 -17.214 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.122 -15.811 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.199 -16.273 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.446 -17.450 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.283 -18.432 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.566 -18.936 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.464 -17.772 1.325 1.00 0.00 H new ATOM 1443 N GLY A 88 5.583 -11.513 0.784 1.00 0.00 N ATOM 1444 CA GLY A 88 6.761 -10.736 1.122 1.00 0.00 C ATOM 1445 C GLY A 88 7.616 -10.421 -0.089 1.00 0.00 C ATOM 1446 O GLY A 88 8.294 -9.395 -0.128 1.00 0.00 O ATOM 0 H GLY A 88 5.091 -11.202 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.454 -9.805 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.357 -11.285 1.851 1.00 0.00 H new ATOM 1450 N GLU A 89 7.586 -11.308 -1.079 1.00 0.00 N ATOM 1451 CA GLU A 89 8.367 -11.120 -2.296 1.00 0.00 C ATOM 1452 C GLU A 89 8.438 -9.643 -2.674 1.00 0.00 C ATOM 1453 O GLU A 89 9.506 -9.124 -3.000 1.00 0.00 O ATOM 1454 CB GLU A 89 7.760 -11.924 -3.448 1.00 0.00 C ATOM 1455 CG GLU A 89 7.855 -13.428 -3.256 1.00 0.00 C ATOM 1456 CD GLU A 89 9.205 -13.984 -3.667 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.230 -13.495 -3.149 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.235 -14.907 -4.508 1.00 0.00 O ATOM 0 H GLU A 89 7.030 -12.163 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 89 9.379 -11.478 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.712 -11.646 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.264 -11.652 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.670 -13.669 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.073 -13.915 -3.838 1.00 0.00 H new ATOM 1465 N VAL A 90 7.292 -8.971 -2.629 1.00 0.00 N ATOM 1466 CA VAL A 90 7.223 -7.554 -2.965 1.00 0.00 C ATOM 1467 C VAL A 90 6.771 -6.726 -1.768 1.00 0.00 C ATOM 1468 O VAL A 90 6.026 -7.205 -0.912 1.00 0.00 O ATOM 1469 CB VAL A 90 6.261 -7.303 -4.142 1.00 0.00 C ATOM 1470 CG1 VAL A 90 6.155 -5.814 -4.437 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.718 -8.068 -5.375 1.00 0.00 C ATOM 0 H VAL A 90 6.399 -9.385 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 90 8.228 -7.248 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 90 5.271 -7.665 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.471 -5.656 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.778 -5.294 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.139 -5.423 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.027 -7.879 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.718 -7.738 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.737 -9.135 -5.155 1.00 0.00 H new ATOM 1481 N THR A 91 7.226 -5.478 -1.713 1.00 0.00 N ATOM 1482 CA THR A 91 6.869 -4.582 -0.620 1.00 0.00 C ATOM 1483 C THR A 91 5.845 -3.546 -1.070 1.00 0.00 C ATOM 1484 O THR A 91 5.683 -3.274 -2.260 1.00 0.00 O ATOM 1485 CB THR A 91 8.107 -3.854 -0.063 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.078 -3.676 -1.100 1.00 0.00 O ATOM 1487 CG2 THR A 91 8.723 -4.637 1.087 1.00 0.00 C ATOM 0 H THR A 91 7.843 -5.065 -2.413 1.00 0.00 H new ATOM 0 HA THR A 91 6.435 -5.200 0.166 1.00 0.00 H new ATOM 0 HB THR A 91 7.792 -2.880 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.861 -3.211 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.596 -4.104 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.990 -4.746 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.025 -5.623 0.735 1.00 0.00 H new ATOM 1495 N PRO A 92 5.135 -2.953 -0.098 1.00 0.00 N ATOM 1496 CA PRO A 92 4.115 -1.937 -0.371 1.00 0.00 C ATOM 1497 C PRO A 92 4.719 -0.627 -0.864 1.00 0.00 C ATOM 1498 O PRO A 92 4.043 0.176 -1.507 1.00 0.00 O ATOM 1499 CB PRO A 92 3.441 -1.737 0.989 1.00 0.00 C ATOM 1500 CG PRO A 92 4.476 -2.131 1.986 1.00 0.00 C ATOM 1501 CD PRO A 92 5.275 -3.229 1.341 1.00 0.00 C ATOM 0 HA PRO A 92 3.430 -2.248 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.131 -0.701 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.547 -2.353 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.113 -1.284 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.015 -2.476 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.318 -3.204 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.887 -4.214 1.601 1.00 0.00 H new ATOM 1509 N ASP A 93 5.995 -0.417 -0.558 1.00 0.00 N ATOM 1510 CA ASP A 93 6.691 0.796 -0.972 1.00 0.00 C ATOM 1511 C ASP A 93 7.197 0.670 -2.405 1.00 0.00 C ATOM 1512 O ASP A 93 6.856 1.478 -3.270 1.00 0.00 O ATOM 1513 CB ASP A 93 7.859 1.086 -0.029 1.00 0.00 C ATOM 1514 CG ASP A 93 8.676 -0.153 0.279 1.00 0.00 C ATOM 1515 OD1 ASP A 93 8.324 -0.872 1.238 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.668 -0.404 -0.437 1.00 0.00 O ATOM 0 H ASP A 93 6.568 -1.071 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 93 5.984 1.624 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.505 1.841 -0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.476 1.505 0.901 1.00 0.00 H new ATOM 1521 N HIS A 94 8.015 -0.349 -2.651 1.00 0.00 N ATOM 1522 CA HIS A 94 8.570 -0.581 -3.980 1.00 0.00 C ATOM 1523 C HIS A 94 7.459 -0.796 -5.003 1.00 0.00 C ATOM 1524 O HIS A 94 7.619 -0.485 -6.184 1.00 0.00 O ATOM 1525 CB HIS A 94 9.503 -1.792 -3.962 1.00 0.00 C ATOM 1526 CG HIS A 94 10.554 -1.754 -5.028 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.589 -0.843 -5.033 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.728 -2.524 -6.128 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.353 -1.053 -6.090 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.852 -2.067 -6.771 1.00 0.00 N ATOM 0 H HIS A 94 8.308 -1.027 -1.948 1.00 0.00 H new ATOM 0 HA HIS A 94 9.139 0.303 -4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.988 -1.853 -2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.910 -2.699 -4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.100 -3.345 -6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.237 -0.491 -6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.237 -2.449 -7.635 1.00 0.00 H new ATOM 1539 N LEU A 95 6.333 -1.329 -4.542 1.00 0.00 N ATOM 1540 CA LEU A 95 5.194 -1.586 -5.417 1.00 0.00 C ATOM 1541 C LEU A 95 4.889 -0.369 -6.285 1.00 0.00 C ATOM 1542 O LEU A 95 4.247 -0.485 -7.330 1.00 0.00 O ATOM 1543 CB LEU A 95 3.963 -1.958 -4.589 1.00 0.00 C ATOM 1544 CG LEU A 95 2.665 -2.162 -5.371 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.798 -3.336 -6.328 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.497 -2.378 -4.419 1.00 0.00 C ATOM 0 H LEU A 95 6.184 -1.592 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 95 5.450 -2.420 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.182 -2.875 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.798 -1.176 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 95 2.470 -1.263 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.865 -3.466 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.608 -3.142 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.017 -4.242 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.582 -2.521 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.684 -3.261 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.388 -1.506 -3.774 1.00 0.00 H new ATOM 1558 N ILE A 96 5.354 0.795 -5.847 1.00 0.00 N ATOM 1559 CA ILE A 96 5.134 2.032 -6.586 1.00 0.00 C ATOM 1560 C ILE A 96 6.297 2.325 -7.528 1.00 0.00 C ATOM 1561 O ILE A 96 6.094 2.633 -8.703 1.00 0.00 O ATOM 1562 CB ILE A 96 4.945 3.230 -5.636 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.058 2.834 -4.453 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.343 4.410 -6.384 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.004 3.882 -3.362 1.00 0.00 C ATOM 0 H ILE A 96 5.886 0.908 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 96 4.223 1.893 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 96 5.921 3.528 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.047 2.645 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.426 1.899 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.216 5.248 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.008 4.703 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.374 4.125 -6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.358 3.535 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.008 4.055 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.608 4.812 -3.770 1.00 0.00 H new ATOM 1577 N ARG A 97 7.514 2.224 -7.006 1.00 0.00 N ATOM 1578 CA ARG A 97 8.710 2.477 -7.800 1.00 0.00 C ATOM 1579 C ARG A 97 8.814 1.487 -8.957 1.00 0.00 C ATOM 1580 O ARG A 97 9.529 1.726 -9.929 1.00 0.00 O ATOM 1581 CB ARG A 97 9.960 2.386 -6.923 1.00 0.00 C ATOM 1582 CG ARG A 97 10.147 3.581 -6.003 1.00 0.00 C ATOM 1583 CD ARG A 97 11.326 3.382 -5.064 1.00 0.00 C ATOM 1584 NE ARG A 97 10.970 2.571 -3.902 1.00 0.00 N ATOM 1585 CZ ARG A 97 11.848 2.165 -2.992 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.128 2.492 -3.109 1.00 0.00 N ATOM 1587 NH2 ARG A 97 11.447 1.430 -1.963 1.00 0.00 N ATOM 0 H ARG A 97 7.698 1.969 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 97 8.636 3.484 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.905 1.479 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.837 2.291 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.303 4.480 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.239 3.739 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.143 2.903 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.691 4.353 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 97 9.993 2.302 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.440 3.057 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.800 2.179 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.463 1.176 -1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.122 1.119 -1.265 1.00 0.00 H new ATOM 1601 N MET A 98 8.095 0.375 -8.843 1.00 0.00 N ATOM 1602 CA MET A 98 8.106 -0.651 -9.879 1.00 0.00 C ATOM 1603 C MET A 98 7.586 -0.094 -11.201 1.00 0.00 C ATOM 1604 O MET A 98 6.921 0.941 -11.230 1.00 0.00 O ATOM 1605 CB MET A 98 7.259 -1.850 -9.449 1.00 0.00 C ATOM 1606 CG MET A 98 7.845 -2.618 -8.275 1.00 0.00 C ATOM 1607 SD MET A 98 8.952 -3.943 -8.794 1.00 0.00 S ATOM 1608 CE MET A 98 7.772 -5.187 -9.310 1.00 0.00 C ATOM 0 H MET A 98 7.498 0.162 -8.044 1.00 0.00 H new ATOM 0 HA MET A 98 9.136 -0.976 -10.022 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.261 -1.503 -9.183 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.146 -2.527 -10.296 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.388 -1.928 -7.629 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.034 -3.039 -7.681 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.304 -6.084 -9.626 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.112 -5.430 -8.477 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.180 -4.805 -10.142 1.00 0.00 H new ATOM 1618 N SER A 99 7.892 -0.788 -12.292 1.00 0.00 N ATOM 1619 CA SER A 99 7.459 -0.361 -13.617 1.00 0.00 C ATOM 1620 C SER A 99 6.057 -0.878 -13.923 1.00 0.00 C ATOM 1621 O SER A 99 5.596 -1.870 -13.358 1.00 0.00 O ATOM 1622 CB SER A 99 8.440 -0.854 -14.682 1.00 0.00 C ATOM 1623 OG SER A 99 9.523 0.048 -14.834 1.00 0.00 O ATOM 0 H SER A 99 8.439 -1.649 -12.284 1.00 0.00 H new ATOM 0 HA SER A 99 7.437 0.729 -13.631 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.818 -1.838 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.921 -0.968 -15.634 1.00 0.00 H new ATOM 0 HG SER A 99 10.137 -0.290 -15.519 1.00 0.00 H new ATOM 1629 N PRO A 100 5.360 -0.190 -14.840 1.00 0.00 N ATOM 1630 CA PRO A 100 4.001 -0.561 -15.244 1.00 0.00 C ATOM 1631 C PRO A 100 3.967 -1.857 -16.047 1.00 0.00 C ATOM 1632 O PRO A 100 2.897 -2.364 -16.378 1.00 0.00 O ATOM 1633 CB PRO A 100 3.554 0.618 -16.112 1.00 0.00 C ATOM 1634 CG PRO A 100 4.820 1.204 -16.635 1.00 0.00 C ATOM 1635 CD PRO A 100 5.847 1.002 -15.555 1.00 0.00 C ATOM 0 HA PRO A 100 3.357 -0.743 -14.384 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.905 0.289 -16.924 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.991 1.347 -15.530 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.124 0.713 -17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.695 2.263 -16.862 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.842 0.843 -15.971 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.912 1.867 -14.896 1.00 0.00 H new ATOM 1643 N GLU A 101 5.147 -2.386 -16.357 1.00 0.00 N ATOM 1644 CA GLU A 101 5.251 -3.623 -17.122 1.00 0.00 C ATOM 1645 C GLU A 101 5.647 -4.789 -16.220 1.00 0.00 C ATOM 1646 O GLU A 101 5.382 -5.948 -16.536 1.00 0.00 O ATOM 1647 CB GLU A 101 6.272 -3.466 -18.250 1.00 0.00 C ATOM 1648 CG GLU A 101 6.531 -4.751 -19.019 1.00 0.00 C ATOM 1649 CD GLU A 101 7.658 -4.612 -20.024 1.00 0.00 C ATOM 1650 OE1 GLU A 101 8.834 -4.645 -19.606 1.00 0.00 O ATOM 1651 OE2 GLU A 101 7.363 -4.471 -21.230 1.00 0.00 O ATOM 0 H GLU A 101 6.043 -1.978 -16.090 1.00 0.00 H new ATOM 0 HA GLU A 101 4.273 -3.837 -17.554 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.920 -2.702 -18.943 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.212 -3.108 -17.831 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.772 -5.548 -18.316 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.620 -5.049 -19.539 1.00 0.00 H new ATOM 1658 N GLU A 102 6.284 -4.471 -15.098 1.00 0.00 N ATOM 1659 CA GLU A 102 6.718 -5.492 -14.151 1.00 0.00 C ATOM 1660 C GLU A 102 5.556 -5.953 -13.277 1.00 0.00 C ATOM 1661 O GLU A 102 5.564 -7.066 -12.750 1.00 0.00 O ATOM 1662 CB GLU A 102 7.851 -4.956 -13.273 1.00 0.00 C ATOM 1663 CG GLU A 102 9.235 -5.186 -13.857 1.00 0.00 C ATOM 1664 CD GLU A 102 9.703 -6.619 -13.701 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.103 -7.511 -14.337 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.669 -6.850 -12.944 1.00 0.00 O ATOM 0 H GLU A 102 6.511 -3.516 -14.822 1.00 0.00 H new ATOM 0 HA GLU A 102 7.083 -6.347 -14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.704 -3.887 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.796 -5.431 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.227 -4.923 -14.915 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.947 -4.520 -13.369 1.00 0.00 H new ATOM 1673 N LEU A 103 4.558 -5.089 -13.126 1.00 0.00 N ATOM 1674 CA LEU A 103 3.388 -5.406 -12.315 1.00 0.00 C ATOM 1675 C LEU A 103 2.524 -6.462 -12.995 1.00 0.00 C ATOM 1676 O LEU A 103 1.852 -7.251 -12.330 1.00 0.00 O ATOM 1677 CB LEU A 103 2.563 -4.143 -12.059 1.00 0.00 C ATOM 1678 CG LEU A 103 3.220 -3.078 -11.180 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.613 -1.711 -11.453 1.00 0.00 C ATOM 1680 CD2 LEU A 103 3.081 -3.442 -9.709 1.00 0.00 C ATOM 0 H LEU A 103 4.536 -4.164 -13.555 1.00 0.00 H new ATOM 0 HA LEU A 103 3.735 -5.806 -11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.319 -3.692 -13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.621 -4.436 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 103 4.281 -3.036 -11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.093 -0.966 -10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.765 -1.448 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.545 -1.737 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.554 -2.673 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.025 -3.513 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.565 -4.401 -9.524 1.00 0.00 H new