USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=19 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 -83:sc= -0.0908 USER MOD Set 1.2: A 70 MET CE :methyl -157:sc= -1.62 (180deg=-2.58!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -4.14! C(o=-4.1!,f=-5.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.0063) USER MOD Single : A 19 SER OG : rot 81:sc= 0.325 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -159:sc= -1.26 (180deg=-2.49) USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= -0.107 (180deg=-0.786) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -10:sc= 0.19 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+ -121:sc= -1.71! (180deg=-5.34!) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= -0.284 (180deg=-1.49!) 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+ 180:sc= 0 (180deg=0) 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+ -170:sc= 0 (180deg=-0.0389) USER MOD Single : A 62 TYR OH : rot -148:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.41! C(o=-1.4!,f=-4.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 91:sc= 0.931 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.67 X(o=-1.7,f=-1.3) USER MOD Single : A 79 ASN : amide:sc= -0.118 K(o=-0.12,f=-4.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 98 MET CE :methyl -130:sc= 0 (180deg=-0.0278) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.274 15.908 1.970 1.00 0.00 N ATOM 78 CA ALA A 9 -7.156 15.072 1.552 1.00 0.00 C ATOM 79 C ALA A 9 -7.162 13.737 2.290 1.00 0.00 C ATOM 80 O ALA A 9 -7.291 12.678 1.675 1.00 0.00 O ATOM 81 CB ALA A 9 -5.838 15.798 1.783 1.00 0.00 C ATOM 0 HA ALA A 9 -7.265 14.869 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.012 15.162 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.826 16.723 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.731 16.030 2.843 1.00 0.00 H new ATOM 87 N ASP A 10 -7.023 13.796 3.610 1.00 0.00 N ATOM 88 CA ASP A 10 -7.013 12.591 4.431 1.00 0.00 C ATOM 89 C ASP A 10 -8.127 11.637 4.010 1.00 0.00 C ATOM 90 O ASP A 10 -7.901 10.439 3.848 1.00 0.00 O ATOM 91 CB ASP A 10 -7.168 12.955 5.909 1.00 0.00 C ATOM 92 CG ASP A 10 -6.440 14.235 6.269 1.00 0.00 C ATOM 93 OD1 ASP A 10 -5.240 14.160 6.609 1.00 0.00 O ATOM 94 OD2 ASP A 10 -7.069 15.311 6.211 1.00 0.00 O ATOM 0 H ASP A 10 -6.916 14.665 4.134 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.056 12.090 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.227 13.064 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.787 12.139 6.523 1.00 0.00 H new ATOM 99 N GLN A 11 -9.328 12.178 3.836 1.00 0.00 N ATOM 100 CA GLN A 11 -10.477 11.374 3.436 1.00 0.00 C ATOM 101 C GLN A 11 -10.169 10.575 2.174 1.00 0.00 C ATOM 102 O GLN A 11 -10.474 9.385 2.092 1.00 0.00 O ATOM 103 CB GLN A 11 -11.696 12.268 3.202 1.00 0.00 C ATOM 104 CG GLN A 11 -13.021 11.532 3.311 1.00 0.00 C ATOM 105 CD GLN A 11 -14.205 12.402 2.939 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.962 12.843 3.804 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.371 12.655 1.646 1.00 0.00 N ATOM 0 H GLN A 11 -9.531 13.169 3.966 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.697 10.675 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.682 13.083 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.621 12.719 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.000 10.657 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.148 11.169 4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.719 12.269 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.150 13.236 1.336 1.00 0.00 H new ATOM 116 N ILE A 12 -9.562 11.236 1.195 1.00 0.00 N ATOM 117 CA ILE A 12 -9.212 10.586 -0.062 1.00 0.00 C ATOM 118 C ILE A 12 -8.314 9.376 0.175 1.00 0.00 C ATOM 119 O ILE A 12 -8.622 8.267 -0.262 1.00 0.00 O ATOM 120 CB ILE A 12 -8.499 11.560 -1.020 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.435 12.707 -1.405 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.017 10.824 -2.261 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.708 13.948 -1.873 1.00 0.00 C ATOM 0 H ILE A 12 -9.302 12.221 1.248 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.146 10.258 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.632 11.979 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.105 12.369 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.057 12.962 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.515 11.525 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.320 10.038 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.870 10.381 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.434 14.720 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.058 14.311 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.108 13.709 -2.751 1.00 0.00 H new ATOM 135 N ARG A 13 -7.205 9.598 0.872 1.00 0.00 N ATOM 136 CA ARG A 13 -6.262 8.525 1.169 1.00 0.00 C ATOM 137 C ARG A 13 -6.952 7.386 1.914 1.00 0.00 C ATOM 138 O ARG A 13 -6.910 6.235 1.482 1.00 0.00 O ATOM 139 CB ARG A 13 -5.094 9.060 2.000 1.00 0.00 C ATOM 140 CG ARG A 13 -4.345 10.202 1.334 1.00 0.00 C ATOM 141 CD ARG A 13 -3.092 10.574 2.111 1.00 0.00 C ATOM 142 NE ARG A 13 -3.402 11.330 3.321 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.520 11.571 4.284 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.278 11.118 4.179 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.878 12.267 5.356 1.00 0.00 N ATOM 0 H ARG A 13 -6.937 10.510 1.242 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.880 8.139 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.471 9.398 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.397 8.246 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.073 9.917 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.998 11.071 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.549 9.667 2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.432 11.164 1.474 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.349 11.693 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.998 10.583 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.603 11.305 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.832 12.618 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.199 12.451 6.095 1.00 0.00 H new ATOM 159 N GLN A 14 -7.586 7.717 3.035 1.00 0.00 N ATOM 160 CA GLN A 14 -8.283 6.722 3.840 1.00 0.00 C ATOM 161 C GLN A 14 -9.019 5.723 2.953 1.00 0.00 C ATOM 162 O GLN A 14 -8.884 4.511 3.122 1.00 0.00 O ATOM 163 CB GLN A 14 -9.270 7.403 4.789 1.00 0.00 C ATOM 164 CG GLN A 14 -10.012 6.433 5.694 1.00 0.00 C ATOM 165 CD GLN A 14 -10.914 5.489 4.922 1.00 0.00 C ATOM 166 OE1 GLN A 14 -11.640 5.905 4.019 1.00 0.00 O ATOM 167 NE2 GLN A 14 -10.871 4.209 5.274 1.00 0.00 N ATOM 0 H GLN A 14 -7.631 8.666 3.406 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.540 6.181 4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.731 8.122 5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.995 7.967 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.290 5.852 6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.610 6.996 6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.254 3.908 6.029 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.455 3.527 4.790 1.00 0.00 H new ATOM 176 N SER A 15 -9.798 6.240 2.008 1.00 0.00 N ATOM 177 CA SER A 15 -10.559 5.393 1.097 1.00 0.00 C ATOM 178 C SER A 15 -9.642 4.410 0.376 1.00 0.00 C ATOM 179 O SER A 15 -9.927 3.214 0.306 1.00 0.00 O ATOM 180 CB SER A 15 -11.309 6.251 0.076 1.00 0.00 C ATOM 181 OG SER A 15 -11.923 5.445 -0.915 1.00 0.00 O ATOM 0 H SER A 15 -9.919 7.241 1.853 1.00 0.00 H new ATOM 0 HA SER A 15 -11.281 4.826 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.066 6.848 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.617 6.949 -0.396 1.00 0.00 H new ATOM 0 HG SER A 15 -12.397 6.017 -1.554 1.00 0.00 H new ATOM 187 N VAL A 16 -8.540 4.922 -0.161 1.00 0.00 N ATOM 188 CA VAL A 16 -7.579 4.091 -0.876 1.00 0.00 C ATOM 189 C VAL A 16 -7.219 2.849 -0.069 1.00 0.00 C ATOM 190 O VAL A 16 -7.173 1.740 -0.603 1.00 0.00 O ATOM 191 CB VAL A 16 -6.291 4.871 -1.199 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.311 3.993 -1.962 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.616 6.131 -1.987 1.00 0.00 C ATOM 0 H VAL A 16 -8.290 5.910 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.055 3.790 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.821 5.167 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.407 4.562 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.055 3.123 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.768 3.664 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.695 6.670 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.109 5.859 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.277 6.767 -1.399 1.00 0.00 H new ATOM 203 N ARG A 17 -6.965 3.041 1.221 1.00 0.00 N ATOM 204 CA ARG A 17 -6.608 1.937 2.103 1.00 0.00 C ATOM 205 C ARG A 17 -7.650 0.824 2.029 1.00 0.00 C ATOM 206 O ARG A 17 -7.367 -0.275 1.551 1.00 0.00 O ATOM 207 CB ARG A 17 -6.474 2.430 3.545 1.00 0.00 C ATOM 208 CG ARG A 17 -5.489 3.576 3.707 1.00 0.00 C ATOM 209 CD ARG A 17 -5.027 3.713 5.150 1.00 0.00 C ATOM 210 NE ARG A 17 -5.977 4.473 5.958 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.685 4.982 7.150 1.00 0.00 C ATOM 212 NH1 ARG A 17 -4.477 4.812 7.669 1.00 0.00 N ATOM 213 NH2 ARG A 17 -6.604 5.661 7.826 1.00 0.00 N ATOM 0 H ARG A 17 -7.000 3.952 1.679 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.649 1.537 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.453 2.750 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.159 1.599 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.626 3.410 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.955 4.507 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.893 2.722 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.055 4.205 5.174 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.916 4.621 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.769 4.289 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.255 5.204 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.535 5.792 7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.379 6.051 8.741 1.00 0.00 H new ATOM 227 N HIS A 18 -8.855 1.116 2.507 1.00 0.00 N ATOM 228 CA HIS A 18 -9.939 0.141 2.495 1.00 0.00 C ATOM 229 C HIS A 18 -10.011 -0.576 1.150 1.00 0.00 C ATOM 230 O HIS A 18 -9.884 -1.798 1.079 1.00 0.00 O ATOM 231 CB HIS A 18 -11.274 0.826 2.793 1.00 0.00 C ATOM 232 CG HIS A 18 -12.403 -0.133 3.012 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.957 -0.374 4.251 1.00 0.00 N ATOM 234 CD2 HIS A 18 -13.085 -0.911 2.139 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.929 -1.260 4.132 1.00 0.00 C ATOM 236 NE2 HIS A 18 -14.028 -1.602 2.860 1.00 0.00 N ATOM 0 H HIS A 18 -9.105 2.020 2.908 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.737 -0.598 3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.162 1.451 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.526 1.488 1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.919 -0.976 1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.539 -1.640 4.938 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.696 -2.270 2.476 1.00 0.00 H new ATOM 245 N SER A 19 -10.217 0.194 0.086 1.00 0.00 N ATOM 246 CA SER A 19 -10.310 -0.368 -1.257 1.00 0.00 C ATOM 247 C SER A 19 -9.259 -1.454 -1.466 1.00 0.00 C ATOM 248 O SER A 19 -9.569 -2.557 -1.918 1.00 0.00 O ATOM 249 CB SER A 19 -10.139 0.732 -2.306 1.00 0.00 C ATOM 250 OG SER A 19 -11.083 1.771 -2.113 1.00 0.00 O ATOM 0 H SER A 19 -10.323 1.208 0.128 1.00 0.00 H new ATOM 0 HA SER A 19 -11.297 -0.816 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.129 1.139 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.257 0.309 -3.304 1.00 0.00 H new ATOM 0 HG SER A 19 -10.768 2.372 -1.406 1.00 0.00 H new ATOM 256 N LEU A 20 -8.013 -1.134 -1.134 1.00 0.00 N ATOM 257 CA LEU A 20 -6.913 -2.080 -1.284 1.00 0.00 C ATOM 258 C LEU A 20 -7.169 -3.346 -0.472 1.00 0.00 C ATOM 259 O LEU A 20 -7.184 -4.452 -1.012 1.00 0.00 O ATOM 260 CB LEU A 20 -5.597 -1.437 -0.846 1.00 0.00 C ATOM 261 CG LEU A 20 -5.013 -0.389 -1.795 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.887 0.376 -1.118 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.519 -1.046 -3.076 1.00 0.00 C ATOM 0 H LEU A 20 -7.739 -0.226 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.843 -2.353 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.750 -0.971 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.858 -2.226 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.801 0.318 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.484 1.117 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.271 0.878 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.098 -0.318 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.107 -0.286 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.746 -1.776 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.350 -1.548 -3.571 1.00 0.00 H new ATOM 275 N LYS A 21 -7.372 -3.175 0.830 1.00 0.00 N ATOM 276 CA LYS A 21 -7.632 -4.302 1.719 1.00 0.00 C ATOM 277 C LYS A 21 -8.807 -5.133 1.214 1.00 0.00 C ATOM 278 O LYS A 21 -8.875 -6.339 1.455 1.00 0.00 O ATOM 279 CB LYS A 21 -7.917 -3.805 3.138 1.00 0.00 C ATOM 280 CG LYS A 21 -7.854 -4.898 4.190 1.00 0.00 C ATOM 281 CD LYS A 21 -7.893 -4.322 5.595 1.00 0.00 C ATOM 282 CE LYS A 21 -9.252 -3.716 5.911 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.330 -3.231 7.317 1.00 0.00 N ATOM 0 H LYS A 21 -7.362 -2.266 1.293 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.743 -4.933 1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.198 -3.026 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.906 -3.346 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.690 -5.584 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.941 -5.478 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.666 -5.106 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.121 -3.560 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.448 -2.888 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.030 -4.460 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.271 -2.825 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.169 -4.026 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.604 -2.503 7.474 1.00 0.00 H new ATOM 297 N ASP A 22 -9.728 -4.482 0.513 1.00 0.00 N ATOM 298 CA ASP A 22 -10.900 -5.162 -0.027 1.00 0.00 C ATOM 299 C ASP A 22 -10.492 -6.211 -1.057 1.00 0.00 C ATOM 300 O ASP A 22 -10.997 -7.334 -1.047 1.00 0.00 O ATOM 301 CB ASP A 22 -11.855 -4.150 -0.662 1.00 0.00 C ATOM 302 CG ASP A 22 -13.263 -4.695 -0.806 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.911 -4.947 0.232 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.717 -4.869 -1.956 1.00 0.00 O ATOM 0 H ASP A 22 -9.686 -3.484 0.305 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.410 -5.665 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.879 -3.246 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.477 -3.864 -1.644 1.00 0.00 H new ATOM 309 N ILE A 23 -9.578 -5.836 -1.946 1.00 0.00 N ATOM 310 CA ILE A 23 -9.103 -6.744 -2.982 1.00 0.00 C ATOM 311 C ILE A 23 -8.209 -7.831 -2.394 1.00 0.00 C ATOM 312 O ILE A 23 -8.519 -9.020 -2.482 1.00 0.00 O ATOM 313 CB ILE A 23 -8.324 -5.992 -4.077 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.286 -5.198 -4.963 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.508 -6.967 -4.912 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.590 -4.224 -5.889 1.00 0.00 C ATOM 0 H ILE A 23 -9.152 -4.910 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.986 -7.204 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.638 -5.292 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.877 -5.894 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.983 -4.650 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.963 -6.420 -5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.800 -7.492 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.175 -7.689 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.333 -3.696 -6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.021 -3.505 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.914 -4.768 -6.548 1.00 0.00 H new ATOM 328 N LEU A 24 -7.101 -7.415 -1.791 1.00 0.00 N ATOM 329 CA LEU A 24 -6.162 -8.353 -1.185 1.00 0.00 C ATOM 330 C LEU A 24 -6.880 -9.305 -0.234 1.00 0.00 C ATOM 331 O LEU A 24 -6.348 -10.354 0.129 1.00 0.00 O ATOM 332 CB LEU A 24 -5.066 -7.594 -0.434 1.00 0.00 C ATOM 333 CG LEU A 24 -4.177 -6.685 -1.283 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.379 -5.741 -0.397 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.246 -7.514 -2.156 1.00 0.00 C ATOM 0 H LEU A 24 -6.831 -6.435 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.708 -8.941 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.537 -6.988 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.430 -8.320 0.072 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.816 -6.088 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.752 -5.102 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.063 -5.123 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.750 -6.321 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.621 -6.851 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.613 -8.137 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.836 -8.149 -2.817 1.00 0.00 H new ATOM 347 N MET A 25 -8.092 -8.933 0.163 1.00 0.00 N ATOM 348 CA MET A 25 -8.885 -9.756 1.069 1.00 0.00 C ATOM 349 C MET A 25 -9.541 -10.912 0.320 1.00 0.00 C ATOM 350 O MET A 25 -9.362 -12.077 0.676 1.00 0.00 O ATOM 351 CB MET A 25 -9.955 -8.908 1.759 1.00 0.00 C ATOM 352 CG MET A 25 -9.491 -8.290 3.067 1.00 0.00 C ATOM 353 SD MET A 25 -9.811 -9.351 4.490 1.00 0.00 S ATOM 354 CE MET A 25 -8.179 -9.435 5.224 1.00 0.00 C ATOM 0 H MET A 25 -8.547 -8.068 -0.128 1.00 0.00 H new ATOM 0 HA MET A 25 -8.216 -10.168 1.824 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.269 -8.113 1.082 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.831 -9.528 1.950 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.423 -8.082 3.007 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.994 -7.334 3.211 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.113 -10.315 5.864 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.429 -9.502 4.436 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.001 -8.539 5.819 1.00 0.00 H new ATOM 364 N LYS A 26 -10.301 -10.583 -0.719 1.00 0.00 N ATOM 365 CA LYS A 26 -10.983 -11.593 -1.519 1.00 0.00 C ATOM 366 C LYS A 26 -9.981 -12.426 -2.312 1.00 0.00 C ATOM 367 O LYS A 26 -10.280 -13.547 -2.724 1.00 0.00 O ATOM 368 CB LYS A 26 -11.980 -10.930 -2.472 1.00 0.00 C ATOM 369 CG LYS A 26 -11.325 -10.262 -3.669 1.00 0.00 C ATOM 370 CD LYS A 26 -11.171 -11.227 -4.832 1.00 0.00 C ATOM 371 CE LYS A 26 -12.390 -11.203 -5.741 1.00 0.00 C ATOM 372 NZ LYS A 26 -13.441 -12.155 -5.285 1.00 0.00 N ATOM 0 H LYS A 26 -10.460 -9.624 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.523 -12.255 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.685 -11.681 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.556 -10.186 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.924 -9.407 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.346 -9.878 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.282 -10.967 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.020 -12.237 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.802 -10.194 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.089 -11.454 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.054 -12.405 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.992 -13.015 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.012 -11.710 -4.538 1.00 0.00 H new ATOM 386 N ARG A 27 -8.792 -11.872 -2.522 1.00 0.00 N ATOM 387 CA ARG A 27 -7.746 -12.564 -3.266 1.00 0.00 C ATOM 388 C ARG A 27 -7.001 -13.547 -2.368 1.00 0.00 C ATOM 389 O ARG A 27 -6.658 -14.652 -2.790 1.00 0.00 O ATOM 390 CB ARG A 27 -6.763 -11.556 -3.864 1.00 0.00 C ATOM 391 CG ARG A 27 -7.406 -10.583 -4.839 1.00 0.00 C ATOM 392 CD ARG A 27 -7.862 -11.287 -6.108 1.00 0.00 C ATOM 393 NE ARG A 27 -6.736 -11.682 -6.949 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.851 -12.484 -8.002 1.00 0.00 C ATOM 395 NH1 ARG A 27 -8.036 -12.974 -8.340 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.780 -12.798 -8.719 1.00 0.00 N ATOM 0 H ARG A 27 -8.528 -10.945 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.218 -13.123 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.297 -10.992 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.967 -12.097 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.259 -10.099 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.695 -9.797 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.444 -12.170 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.522 -10.627 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.810 -11.323 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.862 -12.735 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.122 -13.589 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.867 -12.424 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.870 -13.414 -9.527 1.00 0.00 H new ATOM 410 N LEU A 28 -6.753 -13.137 -1.129 1.00 0.00 N ATOM 411 CA LEU A 28 -6.047 -13.981 -0.171 1.00 0.00 C ATOM 412 C LEU A 28 -6.979 -15.038 0.414 1.00 0.00 C ATOM 413 O LEU A 28 -6.595 -16.196 0.582 1.00 0.00 O ATOM 414 CB LEU A 28 -5.456 -13.128 0.952 1.00 0.00 C ATOM 415 CG LEU A 28 -6.391 -12.816 2.121 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.510 -14.018 3.045 1.00 0.00 C ATOM 417 CD2 LEU A 28 -5.898 -11.598 2.889 1.00 0.00 C ATOM 0 H LEU A 28 -7.030 -12.226 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.238 -14.488 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.575 -13.638 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.115 -12.185 0.524 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.380 -12.592 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.179 -13.777 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.910 -14.866 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.526 -14.274 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.576 -11.391 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.899 -11.793 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.866 -10.736 2.223 1.00 0.00 H new ATOM 429 N THR A 29 -8.207 -14.632 0.721 1.00 0.00 N ATOM 430 CA THR A 29 -9.194 -15.542 1.286 1.00 0.00 C ATOM 431 C THR A 29 -9.449 -16.723 0.356 1.00 0.00 C ATOM 432 O THR A 29 -9.735 -17.832 0.809 1.00 0.00 O ATOM 433 CB THR A 29 -10.529 -14.824 1.562 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.304 -15.575 2.502 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.320 -14.641 0.275 1.00 0.00 C ATOM 0 H THR A 29 -8.541 -13.678 0.587 1.00 0.00 H new ATOM 0 HA THR A 29 -8.784 -15.906 2.228 1.00 0.00 H new ATOM 0 HB THR A 29 -10.309 -13.841 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.150 -15.111 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.259 -14.132 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.739 -14.044 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.530 -15.616 -0.165 1.00 0.00 H new ATOM 443 N ASP A 30 -9.341 -16.479 -0.945 1.00 0.00 N ATOM 444 CA ASP A 30 -9.558 -17.524 -1.939 1.00 0.00 C ATOM 445 C ASP A 30 -8.339 -18.435 -2.045 1.00 0.00 C ATOM 446 O ASP A 30 -8.452 -19.655 -1.927 1.00 0.00 O ATOM 447 CB ASP A 30 -9.866 -16.903 -3.303 1.00 0.00 C ATOM 448 CG ASP A 30 -10.238 -17.943 -4.341 1.00 0.00 C ATOM 449 OD1 ASP A 30 -9.362 -18.752 -4.713 1.00 0.00 O ATOM 450 OD2 ASP A 30 -11.407 -17.949 -4.782 1.00 0.00 O ATOM 0 H ASP A 30 -9.105 -15.567 -1.336 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.410 -18.124 -1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.684 -16.190 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.997 -16.343 -3.649 1.00 0.00 H new ATOM 455 N SER A 31 -7.175 -17.834 -2.268 1.00 0.00 N ATOM 456 CA SER A 31 -5.935 -18.592 -2.394 1.00 0.00 C ATOM 457 C SER A 31 -5.648 -19.379 -1.119 1.00 0.00 C ATOM 458 O SER A 31 -6.427 -19.347 -0.168 1.00 0.00 O ATOM 459 CB SER A 31 -4.768 -17.653 -2.702 1.00 0.00 C ATOM 460 OG SER A 31 -4.572 -16.721 -1.652 1.00 0.00 O ATOM 0 H SER A 31 -7.064 -16.825 -2.365 1.00 0.00 H new ATOM 0 HA SER A 31 -6.051 -19.297 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.858 -18.235 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.961 -17.121 -3.633 1.00 0.00 H new ATOM 0 HG SER A 31 -5.323 -16.772 -1.025 1.00 0.00 H new ATOM 466 N ASN A 32 -4.522 -20.085 -1.109 1.00 0.00 N ATOM 467 CA ASN A 32 -4.130 -20.881 0.049 1.00 0.00 C ATOM 468 C ASN A 32 -3.238 -20.075 0.987 1.00 0.00 C ATOM 469 O ASN A 32 -2.178 -20.541 1.407 1.00 0.00 O ATOM 470 CB ASN A 32 -3.401 -22.149 -0.402 1.00 0.00 C ATOM 471 CG ASN A 32 -4.328 -23.138 -1.082 1.00 0.00 C ATOM 472 OD1 ASN A 32 -4.403 -23.192 -2.309 1.00 0.00 O ATOM 473 ND2 ASN A 32 -5.039 -23.927 -0.284 1.00 0.00 N ATOM 0 H ASN A 32 -3.865 -20.122 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.034 -21.161 0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.597 -21.879 -1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.937 -22.625 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.679 -24.613 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.944 -23.847 0.728 1.00 0.00 H new ATOM 480 N LEU A 33 -3.674 -18.863 1.313 1.00 0.00 N ATOM 481 CA LEU A 33 -2.916 -17.991 2.203 1.00 0.00 C ATOM 482 C LEU A 33 -3.581 -17.900 3.573 1.00 0.00 C ATOM 483 O LEU A 33 -4.744 -17.514 3.687 1.00 0.00 O ATOM 484 CB LEU A 33 -2.788 -16.594 1.593 1.00 0.00 C ATOM 485 CG LEU A 33 -1.741 -16.437 0.490 1.00 0.00 C ATOM 486 CD1 LEU A 33 -1.916 -15.107 -0.227 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.337 -16.553 1.067 1.00 0.00 C ATOM 0 H LEU A 33 -4.549 -18.462 0.974 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.921 -18.419 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.758 -16.305 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.553 -15.891 2.392 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.882 -17.239 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.162 -15.013 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.909 -15.062 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.802 -14.291 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.395 -16.439 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.185 -15.773 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.215 -17.530 1.534 1.00 0.00 H new ATOM 499 N LYS A 34 -2.834 -18.258 4.612 1.00 0.00 N ATOM 500 CA LYS A 34 -3.348 -18.214 5.976 1.00 0.00 C ATOM 501 C LYS A 34 -2.851 -16.970 6.705 1.00 0.00 C ATOM 502 O LYS A 34 -2.676 -16.981 7.924 1.00 0.00 O ATOM 503 CB LYS A 34 -2.926 -19.470 6.742 1.00 0.00 C ATOM 504 CG LYS A 34 -3.810 -19.778 7.938 1.00 0.00 C ATOM 505 CD LYS A 34 -5.099 -20.464 7.517 1.00 0.00 C ATOM 506 CE LYS A 34 -4.914 -21.967 7.384 1.00 0.00 C ATOM 507 NZ LYS A 34 -6.214 -22.675 7.223 1.00 0.00 N ATOM 0 H LYS A 34 -1.870 -18.582 4.535 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.436 -18.174 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.939 -20.322 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.897 -19.350 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.269 -20.416 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.044 -18.854 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.879 -20.256 8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.437 -20.053 6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.276 -22.180 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.400 -22.349 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.044 -23.697 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.813 -22.493 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.694 -22.330 6.367 1.00 0.00 H new ATOM 521 N VAL A 35 -2.626 -15.898 5.952 1.00 0.00 N ATOM 522 CA VAL A 35 -2.151 -14.646 6.528 1.00 0.00 C ATOM 523 C VAL A 35 -3.238 -13.979 7.364 1.00 0.00 C ATOM 524 O VAL A 35 -4.430 -14.077 7.071 1.00 0.00 O ATOM 525 CB VAL A 35 -1.686 -13.666 5.434 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.762 -14.365 4.449 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.884 -13.061 4.717 1.00 0.00 C ATOM 0 H VAL A 35 -2.765 -15.872 4.942 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.304 -14.893 7.168 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.129 -12.858 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.444 -13.657 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.112 -14.746 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.291 -15.194 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.537 -12.371 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.471 -13.855 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.504 -12.523 5.434 1.00 0.00 H new ATOM 537 N PRO A 36 -2.820 -13.281 8.431 1.00 0.00 N ATOM 538 CA PRO A 36 -3.742 -12.583 9.331 1.00 0.00 C ATOM 539 C PRO A 36 -4.390 -11.371 8.670 1.00 0.00 C ATOM 540 O PRO A 36 -3.748 -10.653 7.905 1.00 0.00 O ATOM 541 CB PRO A 36 -2.842 -12.144 10.489 1.00 0.00 C ATOM 542 CG PRO A 36 -1.479 -12.053 9.896 1.00 0.00 C ATOM 543 CD PRO A 36 -1.414 -13.121 8.840 1.00 0.00 C ATOM 0 HA PRO A 36 -4.573 -13.218 9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.161 -11.185 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.870 -12.864 11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.306 -11.067 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.712 -12.208 10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.784 -12.821 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.001 -14.050 9.233 1.00 0.00 H new ATOM 551 N GLU A 37 -5.665 -11.149 8.973 1.00 0.00 N ATOM 552 CA GLU A 37 -6.399 -10.023 8.407 1.00 0.00 C ATOM 553 C GLU A 37 -5.547 -8.758 8.416 1.00 0.00 C ATOM 554 O GLU A 37 -5.599 -7.956 7.485 1.00 0.00 O ATOM 555 CB GLU A 37 -7.693 -9.785 9.188 1.00 0.00 C ATOM 556 CG GLU A 37 -8.460 -8.554 8.735 1.00 0.00 C ATOM 557 CD GLU A 37 -9.595 -8.195 9.674 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.320 -7.584 10.729 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.757 -8.524 9.356 1.00 0.00 O ATOM 0 H GLU A 37 -6.211 -11.733 9.607 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.646 -10.266 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.335 -10.660 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.455 -9.685 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.774 -7.710 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.861 -8.727 7.736 1.00 0.00 H new ATOM 566 N GLU A 38 -4.762 -8.588 9.476 1.00 0.00 N ATOM 567 CA GLU A 38 -3.900 -7.420 9.607 1.00 0.00 C ATOM 568 C GLU A 38 -2.956 -7.303 8.414 1.00 0.00 C ATOM 569 O GLU A 38 -2.791 -6.226 7.840 1.00 0.00 O ATOM 570 CB GLU A 38 -3.092 -7.498 10.904 1.00 0.00 C ATOM 571 CG GLU A 38 -3.858 -7.024 12.128 1.00 0.00 C ATOM 572 CD GLU A 38 -4.606 -5.728 11.882 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.956 -4.731 11.505 1.00 0.00 O ATOM 574 OE2 GLU A 38 -5.840 -5.711 12.068 1.00 0.00 O ATOM 0 H GLU A 38 -4.706 -9.244 10.255 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.534 -6.534 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.773 -8.528 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.189 -6.898 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.566 -7.796 12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.163 -6.886 12.956 1.00 0.00 H new ATOM 581 N LYS A 39 -2.337 -8.420 8.045 1.00 0.00 N ATOM 582 CA LYS A 39 -1.410 -8.446 6.920 1.00 0.00 C ATOM 583 C LYS A 39 -1.914 -7.567 5.780 1.00 0.00 C ATOM 584 O LYS A 39 -1.271 -6.585 5.410 1.00 0.00 O ATOM 585 CB LYS A 39 -1.217 -9.881 6.425 1.00 0.00 C ATOM 586 CG LYS A 39 -0.438 -9.976 5.125 1.00 0.00 C ATOM 587 CD LYS A 39 1.053 -10.122 5.378 1.00 0.00 C ATOM 588 CE LYS A 39 1.743 -8.768 5.441 1.00 0.00 C ATOM 589 NZ LYS A 39 1.785 -8.232 6.830 1.00 0.00 N ATOM 0 H LYS A 39 -2.461 -9.320 8.509 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.452 -8.054 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.698 -10.455 7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.194 -10.344 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.795 -10.828 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.621 -9.085 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.214 -10.657 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.500 -10.723 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.759 -8.859 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.220 -8.063 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.298 -7.314 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.312 -8.898 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.775 -8.109 7.125 1.00 0.00 H new ATOM 603 N ALA A 40 -3.068 -7.926 5.228 1.00 0.00 N ATOM 604 CA ALA A 40 -3.660 -7.167 4.132 1.00 0.00 C ATOM 605 C ALA A 40 -3.767 -5.687 4.484 1.00 0.00 C ATOM 606 O ALA A 40 -3.351 -4.824 3.712 1.00 0.00 O ATOM 607 CB ALA A 40 -5.029 -7.729 3.780 1.00 0.00 C ATOM 0 H ALA A 40 -3.612 -8.737 5.521 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.008 -7.260 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.459 -7.153 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.928 -8.771 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.683 -7.666 4.650 1.00 0.00 H new ATOM 613 N ALA A 41 -4.328 -5.401 5.655 1.00 0.00 N ATOM 614 CA ALA A 41 -4.489 -4.026 6.109 1.00 0.00 C ATOM 615 C ALA A 41 -3.144 -3.309 6.175 1.00 0.00 C ATOM 616 O ALA A 41 -2.872 -2.404 5.386 1.00 0.00 O ATOM 617 CB ALA A 41 -5.173 -3.995 7.468 1.00 0.00 C ATOM 0 H ALA A 41 -4.678 -6.104 6.306 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.116 -3.502 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.287 -2.961 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.155 -4.462 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.568 -4.540 8.192 1.00 0.00 H new ATOM 623 N LYS A 42 -2.307 -3.718 7.122 1.00 0.00 N ATOM 624 CA LYS A 42 -0.990 -3.116 7.292 1.00 0.00 C ATOM 625 C LYS A 42 -0.369 -2.775 5.941 1.00 0.00 C ATOM 626 O LYS A 42 0.118 -1.664 5.734 1.00 0.00 O ATOM 627 CB LYS A 42 -0.069 -4.063 8.064 1.00 0.00 C ATOM 628 CG LYS A 42 -0.614 -4.469 9.423 1.00 0.00 C ATOM 629 CD LYS A 42 0.263 -5.518 10.085 1.00 0.00 C ATOM 630 CE LYS A 42 1.343 -4.879 10.944 1.00 0.00 C ATOM 631 NZ LYS A 42 2.424 -4.273 10.117 1.00 0.00 N ATOM 0 H LYS A 42 -2.518 -4.465 7.784 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.111 -2.194 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.099 -4.959 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.900 -3.583 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.681 -3.591 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.626 -4.859 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.353 -6.173 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.726 -6.142 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.897 -4.112 11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.771 -5.630 11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.323 -4.311 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.518 -4.802 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.187 -3.282 9.907 1.00 0.00 H new ATOM 645 N VAL A 43 -0.392 -3.738 5.025 1.00 0.00 N ATOM 646 CA VAL A 43 0.167 -3.538 3.693 1.00 0.00 C ATOM 647 C VAL A 43 -0.446 -2.316 3.018 1.00 0.00 C ATOM 648 O VAL A 43 0.262 -1.382 2.642 1.00 0.00 O ATOM 649 CB VAL A 43 -0.059 -4.772 2.799 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.276 -4.451 1.351 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.765 -5.949 3.298 1.00 0.00 C ATOM 0 H VAL A 43 -0.791 -4.664 5.181 1.00 0.00 H new ATOM 0 HA VAL A 43 1.238 -3.381 3.819 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.112 -5.048 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.110 -5.335 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.362 -3.640 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.321 -4.148 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.593 -6.812 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.823 -5.687 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.470 -6.193 4.319 1.00 0.00 H new ATOM 661 N ALA A 44 -1.766 -2.329 2.867 1.00 0.00 N ATOM 662 CA ALA A 44 -2.475 -1.221 2.240 1.00 0.00 C ATOM 663 C ALA A 44 -2.210 0.087 2.977 1.00 0.00 C ATOM 664 O ALA A 44 -2.135 1.153 2.365 1.00 0.00 O ATOM 665 CB ALA A 44 -3.968 -1.509 2.191 1.00 0.00 C ATOM 0 H ALA A 44 -2.366 -3.096 3.171 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.104 -1.115 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.485 -0.673 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.145 -2.416 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.346 -1.645 3.204 1.00 0.00 H new ATOM 671 N THR A 45 -2.071 0.000 4.296 1.00 0.00 N ATOM 672 CA THR A 45 -1.817 1.178 5.117 1.00 0.00 C ATOM 673 C THR A 45 -0.520 1.865 4.706 1.00 0.00 C ATOM 674 O THR A 45 -0.382 3.082 4.833 1.00 0.00 O ATOM 675 CB THR A 45 -1.741 0.814 6.612 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.037 0.441 7.092 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.210 1.984 7.427 1.00 0.00 C ATOM 0 H THR A 45 -2.130 -0.874 4.819 1.00 0.00 H new ATOM 0 HA THR A 45 -2.652 1.860 4.959 1.00 0.00 H new ATOM 0 HB THR A 45 -1.057 -0.027 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.980 0.209 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.165 1.704 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.211 2.247 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.873 2.841 7.308 1.00 0.00 H new ATOM 685 N LYS A 46 0.431 1.078 4.213 1.00 0.00 N ATOM 686 CA LYS A 46 1.717 1.611 3.781 1.00 0.00 C ATOM 687 C LYS A 46 1.647 2.098 2.337 1.00 0.00 C ATOM 688 O LYS A 46 2.225 3.129 1.992 1.00 0.00 O ATOM 689 CB LYS A 46 2.806 0.544 3.918 1.00 0.00 C ATOM 690 CG LYS A 46 3.273 0.332 5.347 1.00 0.00 C ATOM 691 CD LYS A 46 4.398 -0.688 5.421 1.00 0.00 C ATOM 692 CE LYS A 46 4.470 -1.339 6.793 1.00 0.00 C ATOM 693 NZ LYS A 46 5.771 -2.030 7.012 1.00 0.00 N ATOM 0 H LYS A 46 0.335 0.069 4.103 1.00 0.00 H new ATOM 0 HA LYS A 46 1.964 2.459 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.430 -0.400 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.660 0.828 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.612 1.280 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.435 -0.004 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.246 -1.454 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.347 -0.201 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.328 -0.580 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.656 -2.056 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.780 -2.461 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.896 -2.771 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.547 -1.341 6.937 1.00 0.00 H new ATOM 707 N ILE A 47 0.936 1.352 1.499 1.00 0.00 N ATOM 708 CA ILE A 47 0.789 1.710 0.094 1.00 0.00 C ATOM 709 C ILE A 47 0.687 3.222 -0.080 1.00 0.00 C ATOM 710 O ILE A 47 1.468 3.825 -0.815 1.00 0.00 O ATOM 711 CB ILE A 47 -0.455 1.049 -0.529 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.334 -0.475 -0.466 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.637 1.512 -1.966 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.862 -1.018 -1.216 1.00 0.00 C ATOM 0 H ILE A 47 0.452 0.495 1.769 1.00 0.00 H new ATOM 0 HA ILE A 47 1.679 1.346 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.333 1.349 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.269 -0.783 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.241 -0.921 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.520 1.036 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.763 2.595 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.241 1.238 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.884 -2.104 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.789 -0.740 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.776 -0.601 -0.794 1.00 0.00 H new ATOM 726 N GLU A 48 -0.279 3.827 0.603 1.00 0.00 N ATOM 727 CA GLU A 48 -0.482 5.269 0.524 1.00 0.00 C ATOM 728 C GLU A 48 0.565 6.011 1.350 1.00 0.00 C ATOM 729 O GLU A 48 1.000 7.104 0.986 1.00 0.00 O ATOM 730 CB GLU A 48 -1.885 5.637 1.010 1.00 0.00 C ATOM 731 CG GLU A 48 -2.997 5.076 0.140 1.00 0.00 C ATOM 732 CD GLU A 48 -3.075 5.753 -1.215 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.582 6.892 -1.282 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.628 5.142 -2.209 1.00 0.00 O ATOM 0 H GLU A 48 -0.933 3.342 1.217 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.377 5.568 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.014 5.273 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.975 6.723 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.839 4.007 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.950 5.192 0.656 1.00 0.00 H new ATOM 741 N LYS A 49 0.966 5.410 2.465 1.00 0.00 N ATOM 742 CA LYS A 49 1.962 6.011 3.344 1.00 0.00 C ATOM 743 C LYS A 49 3.188 6.455 2.553 1.00 0.00 C ATOM 744 O LYS A 49 3.743 7.525 2.800 1.00 0.00 O ATOM 745 CB LYS A 49 2.376 5.020 4.433 1.00 0.00 C ATOM 746 CG LYS A 49 3.020 5.678 5.642 1.00 0.00 C ATOM 747 CD LYS A 49 2.985 4.766 6.857 1.00 0.00 C ATOM 748 CE LYS A 49 3.392 5.508 8.121 1.00 0.00 C ATOM 749 NZ LYS A 49 2.222 6.131 8.800 1.00 0.00 N ATOM 0 H LYS A 49 0.616 4.506 2.782 1.00 0.00 H new ATOM 0 HA LYS A 49 1.515 6.889 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.498 4.463 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.073 4.297 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.053 5.937 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.502 6.609 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.981 4.359 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.654 3.920 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.883 4.817 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.120 6.280 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.541 6.627 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.768 6.810 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.539 5.392 9.062 1.00 0.00 H new ATOM 763 N GLU A 50 3.604 5.626 1.600 1.00 0.00 N ATOM 764 CA GLU A 50 4.765 5.935 0.773 1.00 0.00 C ATOM 765 C GLU A 50 4.369 6.806 -0.416 1.00 0.00 C ATOM 766 O GLU A 50 5.059 7.771 -0.750 1.00 0.00 O ATOM 767 CB GLU A 50 5.424 4.646 0.278 1.00 0.00 C ATOM 768 CG GLU A 50 6.821 4.853 -0.281 1.00 0.00 C ATOM 769 CD GLU A 50 7.852 5.101 0.802 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.666 4.592 1.927 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.847 5.804 0.525 1.00 0.00 O ATOM 0 H GLU A 50 3.155 4.737 1.382 1.00 0.00 H new ATOM 0 HA GLU A 50 5.478 6.487 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.473 3.934 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.796 4.199 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.111 3.975 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.811 5.699 -0.969 1.00 0.00 H new ATOM 778 N LEU A 51 3.256 6.460 -1.051 1.00 0.00 N ATOM 779 CA LEU A 51 2.767 7.209 -2.204 1.00 0.00 C ATOM 780 C LEU A 51 2.585 8.683 -1.857 1.00 0.00 C ATOM 781 O LEU A 51 3.221 9.554 -2.451 1.00 0.00 O ATOM 782 CB LEU A 51 1.443 6.621 -2.695 1.00 0.00 C ATOM 783 CG LEU A 51 1.117 6.842 -4.172 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.857 5.834 -5.038 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.383 6.751 -4.407 1.00 0.00 C ATOM 0 H LEU A 51 2.674 5.665 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 51 3.509 7.131 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.451 5.548 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.636 7.046 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 51 1.447 7.842 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.613 6.006 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.931 5.948 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.558 4.824 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.596 6.911 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.739 5.764 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.891 7.513 -3.815 1.00 0.00 H new ATOM 797 N PHE A 52 1.715 8.956 -0.891 1.00 0.00 N ATOM 798 CA PHE A 52 1.450 10.325 -0.464 1.00 0.00 C ATOM 799 C PHE A 52 2.746 11.125 -0.368 1.00 0.00 C ATOM 800 O PHE A 52 2.810 12.276 -0.798 1.00 0.00 O ATOM 801 CB PHE A 52 0.733 10.331 0.887 1.00 0.00 C ATOM 802 CG PHE A 52 0.250 11.690 1.304 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.497 12.471 0.436 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.543 12.188 2.563 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.943 13.723 0.816 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.099 13.439 2.949 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.644 14.208 2.074 1.00 0.00 C ATOM 0 H PHE A 52 1.181 8.247 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 52 0.808 10.794 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.117 9.651 0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.409 9.945 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.733 12.097 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.125 11.592 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.524 14.321 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.333 13.815 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.990 15.186 2.373 1.00 0.00 H new ATOM 817 N SER A 53 3.776 10.506 0.200 1.00 0.00 N ATOM 818 CA SER A 53 5.069 11.160 0.357 1.00 0.00 C ATOM 819 C SER A 53 5.770 11.309 -0.990 1.00 0.00 C ATOM 820 O SER A 53 5.994 12.421 -1.467 1.00 0.00 O ATOM 821 CB SER A 53 5.953 10.366 1.320 1.00 0.00 C ATOM 822 OG SER A 53 6.956 11.189 1.890 1.00 0.00 O ATOM 0 H SER A 53 3.740 9.552 0.559 1.00 0.00 H new ATOM 0 HA SER A 53 4.897 12.154 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.339 9.936 2.111 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.418 9.535 0.790 1.00 0.00 H new ATOM 0 HG SER A 53 7.506 10.658 2.503 1.00 0.00 H new ATOM 828 N PHE A 54 6.115 10.178 -1.598 1.00 0.00 N ATOM 829 CA PHE A 54 6.792 10.181 -2.890 1.00 0.00 C ATOM 830 C PHE A 54 6.222 11.265 -3.800 1.00 0.00 C ATOM 831 O PHE A 54 6.960 12.090 -4.338 1.00 0.00 O ATOM 832 CB PHE A 54 6.658 8.813 -3.562 1.00 0.00 C ATOM 833 CG PHE A 54 7.439 8.694 -4.840 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.824 8.710 -4.825 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.787 8.566 -6.056 1.00 0.00 C ATOM 836 CE1 PHE A 54 9.544 8.602 -6.000 1.00 0.00 C ATOM 837 CE2 PHE A 54 7.502 8.457 -7.234 1.00 0.00 C ATOM 838 CZ PHE A 54 8.882 8.474 -7.205 1.00 0.00 C ATOM 0 H PHE A 54 5.937 9.249 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 54 7.847 10.393 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.992 8.042 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.605 8.620 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.347 8.808 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.707 8.551 -6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.624 8.618 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.982 8.359 -8.175 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.443 8.387 -8.124 1.00 0.00 H new ATOM 848 N PHE A 55 4.904 11.255 -3.968 1.00 0.00 N ATOM 849 CA PHE A 55 4.234 12.236 -4.815 1.00 0.00 C ATOM 850 C PHE A 55 4.132 13.584 -4.108 1.00 0.00 C ATOM 851 O PHE A 55 4.460 14.624 -4.680 1.00 0.00 O ATOM 852 CB PHE A 55 2.838 11.741 -5.198 1.00 0.00 C ATOM 853 CG PHE A 55 2.822 10.894 -6.438 1.00 0.00 C ATOM 854 CD1 PHE A 55 3.090 9.536 -6.370 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.538 11.455 -7.673 1.00 0.00 C ATOM 856 CE1 PHE A 55 3.077 8.755 -7.509 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.523 10.679 -8.817 1.00 0.00 C ATOM 858 CZ PHE A 55 2.792 9.327 -8.734 1.00 0.00 C ATOM 0 H PHE A 55 4.279 10.579 -3.529 1.00 0.00 H new ATOM 0 HA PHE A 55 4.827 12.364 -5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.425 11.166 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.184 12.601 -5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.312 9.083 -5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.326 12.512 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.289 7.698 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.301 11.129 -9.773 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.780 8.718 -9.626 1.00 0.00 H new ATOM 868 N ARG A 56 3.673 13.559 -2.861 1.00 0.00 N ATOM 869 CA ARG A 56 3.525 14.779 -2.076 1.00 0.00 C ATOM 870 C ARG A 56 2.315 15.582 -2.543 1.00 0.00 C ATOM 871 O ARG A 56 2.326 16.813 -2.514 1.00 0.00 O ATOM 872 CB ARG A 56 4.789 15.634 -2.180 1.00 0.00 C ATOM 873 CG ARG A 56 4.933 16.646 -1.056 1.00 0.00 C ATOM 874 CD ARG A 56 6.080 17.610 -1.317 1.00 0.00 C ATOM 875 NE ARG A 56 5.822 18.468 -2.470 1.00 0.00 N ATOM 876 CZ ARG A 56 6.400 19.650 -2.651 1.00 0.00 C ATOM 877 NH1 ARG A 56 7.266 20.111 -1.759 1.00 0.00 N ATOM 878 NH2 ARG A 56 6.114 20.373 -3.726 1.00 0.00 N ATOM 0 H ARG A 56 3.397 12.707 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 56 3.371 14.495 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.661 14.980 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.783 16.161 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.004 17.205 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.102 16.124 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.242 18.228 -0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.997 17.045 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 56 5.161 18.142 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.489 19.558 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.709 21.019 -1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.449 20.021 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.559 21.281 -3.863 1.00 0.00 H new ATOM 892 N ASP A 57 1.274 14.878 -2.974 1.00 0.00 N ATOM 893 CA ASP A 57 0.056 15.526 -3.447 1.00 0.00 C ATOM 894 C ASP A 57 -1.048 14.500 -3.684 1.00 0.00 C ATOM 895 O ASP A 57 -0.780 13.309 -3.849 1.00 0.00 O ATOM 896 CB ASP A 57 0.333 16.302 -4.736 1.00 0.00 C ATOM 897 CG ASP A 57 -0.645 17.441 -4.947 1.00 0.00 C ATOM 898 OD1 ASP A 57 -1.083 18.041 -3.943 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.972 17.732 -6.117 1.00 0.00 O ATOM 0 H ASP A 57 1.249 13.859 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.278 16.222 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.348 16.699 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.281 15.621 -5.585 1.00 0.00 H new ATOM 904 N THR A 58 -2.292 14.969 -3.698 1.00 0.00 N ATOM 905 CA THR A 58 -3.437 14.093 -3.912 1.00 0.00 C ATOM 906 C THR A 58 -4.217 14.502 -5.156 1.00 0.00 C ATOM 907 O THR A 58 -5.444 14.604 -5.125 1.00 0.00 O ATOM 908 CB THR A 58 -4.385 14.102 -2.699 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.540 15.438 -2.207 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.854 13.206 -1.590 1.00 0.00 C ATOM 0 H THR A 58 -2.532 15.951 -3.564 1.00 0.00 H new ATOM 0 HA THR A 58 -3.044 13.086 -4.048 1.00 0.00 H new ATOM 0 HB THR A 58 -5.354 13.720 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.146 15.435 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.541 13.229 -0.744 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.766 12.184 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.874 13.563 -1.272 1.00 0.00 H new ATOM 918 N ASP A 59 -3.499 14.735 -6.249 1.00 0.00 N ATOM 919 CA ASP A 59 -4.126 15.132 -7.505 1.00 0.00 C ATOM 920 C ASP A 59 -4.322 13.926 -8.419 1.00 0.00 C ATOM 921 O ASP A 59 -3.930 12.810 -8.082 1.00 0.00 O ATOM 922 CB ASP A 59 -3.276 16.190 -8.211 1.00 0.00 C ATOM 923 CG ASP A 59 -3.646 17.601 -7.796 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.901 17.817 -6.593 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.681 18.488 -8.675 1.00 0.00 O ATOM 0 H ASP A 59 -2.483 14.656 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.104 15.555 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.223 16.013 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.396 16.088 -9.290 1.00 0.00 H new ATOM 930 N ALA A 60 -4.932 14.161 -9.576 1.00 0.00 N ATOM 931 CA ALA A 60 -5.179 13.095 -10.539 1.00 0.00 C ATOM 932 C ALA A 60 -4.053 12.067 -10.522 1.00 0.00 C ATOM 933 O ALA A 60 -4.257 10.913 -10.145 1.00 0.00 O ATOM 934 CB ALA A 60 -5.347 13.673 -11.936 1.00 0.00 C ATOM 0 H ALA A 60 -5.264 15.080 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.102 12.589 -10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.531 12.865 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.191 14.363 -11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.440 14.206 -12.221 1.00 0.00 H new ATOM 940 N LYS A 61 -2.863 12.493 -10.933 1.00 0.00 N ATOM 941 CA LYS A 61 -1.703 11.611 -10.965 1.00 0.00 C ATOM 942 C LYS A 61 -1.708 10.663 -9.770 1.00 0.00 C ATOM 943 O LYS A 61 -1.829 9.448 -9.929 1.00 0.00 O ATOM 944 CB LYS A 61 -0.412 12.432 -10.973 1.00 0.00 C ATOM 945 CG LYS A 61 -0.368 13.486 -12.066 1.00 0.00 C ATOM 946 CD LYS A 61 1.048 13.979 -12.309 1.00 0.00 C ATOM 947 CE LYS A 61 1.381 15.174 -11.429 1.00 0.00 C ATOM 948 NZ LYS A 61 0.740 16.423 -11.925 1.00 0.00 N ATOM 0 H LYS A 61 -2.677 13.445 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.754 11.017 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.295 12.919 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.436 11.758 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.773 13.071 -12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.004 14.326 -11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.754 13.172 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.164 14.254 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.051 14.977 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.462 15.310 -11.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.122 17.239 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.937 16.535 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.288 16.368 -11.776 1.00 0.00 H new ATOM 962 N TYR A 62 -1.576 11.226 -8.574 1.00 0.00 N ATOM 963 CA TYR A 62 -1.564 10.430 -7.352 1.00 0.00 C ATOM 964 C TYR A 62 -2.491 9.225 -7.477 1.00 0.00 C ATOM 965 O TYR A 62 -2.073 8.082 -7.286 1.00 0.00 O ATOM 966 CB TYR A 62 -1.983 11.287 -6.156 1.00 0.00 C ATOM 967 CG TYR A 62 -1.850 10.579 -4.827 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.604 10.208 -4.337 1.00 0.00 C ATOM 969 CD2 TYR A 62 -2.970 10.280 -4.061 1.00 0.00 C ATOM 970 CE1 TYR A 62 -0.477 9.560 -3.124 1.00 0.00 C ATOM 971 CE2 TYR A 62 -2.853 9.634 -2.846 1.00 0.00 C ATOM 972 CZ TYR A 62 -1.604 9.276 -2.382 1.00 0.00 C ATOM 973 OH TYR A 62 -1.483 8.630 -1.172 1.00 0.00 O ATOM 0 H TYR A 62 -1.476 12.230 -8.425 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.548 10.069 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.376 12.192 -6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.019 11.600 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.281 10.430 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.949 10.558 -4.422 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.499 9.277 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.734 9.410 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.272 8.069 -1.020 1.00 0.00 H new ATOM 983 N LYS A 63 -3.752 9.488 -7.801 1.00 0.00 N ATOM 984 CA LYS A 63 -4.740 8.426 -7.955 1.00 0.00 C ATOM 985 C LYS A 63 -4.383 7.516 -9.125 1.00 0.00 C ATOM 986 O LYS A 63 -4.370 6.293 -8.991 1.00 0.00 O ATOM 987 CB LYS A 63 -6.133 9.025 -8.167 1.00 0.00 C ATOM 988 CG LYS A 63 -6.573 9.952 -7.048 1.00 0.00 C ATOM 989 CD LYS A 63 -7.524 11.024 -7.553 1.00 0.00 C ATOM 990 CE LYS A 63 -8.406 11.559 -6.436 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.637 12.209 -6.964 1.00 0.00 N ATOM 0 H LYS A 63 -4.115 10.428 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.742 7.830 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.143 9.575 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.857 8.216 -8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.060 9.372 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.698 10.423 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.952 11.843 -7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.149 10.613 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.684 10.742 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.843 12.278 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.211 12.560 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.373 13.005 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.188 11.517 -7.510 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.092 8.121 -10.272 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.733 7.364 -11.466 1.00 0.00 C ATOM 1007 C ASN A 64 -2.800 6.209 -11.118 1.00 0.00 C ATOM 1008 O ASN A 64 -3.013 5.073 -11.544 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.067 8.280 -12.495 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.503 7.511 -13.675 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -1.717 6.579 -13.504 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -2.903 7.900 -14.880 1.00 0.00 N ATOM 0 H ASN A 64 -4.098 9.133 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.647 6.953 -11.893 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.794 9.008 -12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.266 8.840 -12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.557 7.421 -15.711 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.556 8.678 -14.974 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.764 6.506 -10.340 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.798 5.493 -9.931 1.00 0.00 C ATOM 1021 C LYS A 65 -1.460 4.430 -9.061 1.00 0.00 C ATOM 1022 O LYS A 65 -1.317 3.232 -9.310 1.00 0.00 O ATOM 1023 CB LYS A 65 0.360 6.142 -9.170 1.00 0.00 C ATOM 1024 CG LYS A 65 1.289 5.139 -8.507 1.00 0.00 C ATOM 1025 CD LYS A 65 1.989 4.264 -9.534 1.00 0.00 C ATOM 1026 CE LYS A 65 3.084 5.027 -10.263 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.465 4.364 -11.541 1.00 0.00 N ATOM 0 H LYS A 65 -1.572 7.441 -9.980 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.410 5.012 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.937 6.759 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.045 6.809 -8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.033 5.669 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.719 4.512 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.419 3.393 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.260 3.894 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.745 6.042 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.961 5.107 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.214 4.914 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.813 3.404 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.635 4.310 -12.165 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.185 4.874 -8.040 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.868 3.960 -7.132 1.00 0.00 C ATOM 1043 C TYR A 66 -3.801 3.028 -7.899 1.00 0.00 C ATOM 1044 O TYR A 66 -3.590 1.815 -7.938 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.660 4.745 -6.085 1.00 0.00 C ATOM 1046 CG TYR A 66 -4.868 4.004 -5.559 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.734 2.767 -4.941 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.144 4.540 -5.682 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -5.835 2.086 -4.459 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.251 3.866 -5.202 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.091 2.640 -4.592 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.191 1.965 -4.113 1.00 0.00 O ATOM 0 H TYR A 66 -2.315 5.862 -7.820 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.113 3.356 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.002 4.988 -5.251 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.985 5.690 -6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.752 2.330 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.273 5.499 -6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.713 1.125 -3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.236 4.297 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.480 1.301 -4.773 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.833 3.603 -8.507 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.800 2.825 -9.271 1.00 0.00 C ATOM 1064 C ARG A 67 -5.093 1.859 -10.218 1.00 0.00 C ATOM 1065 O ARG A 67 -5.546 0.733 -10.424 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.719 3.753 -10.067 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.997 4.555 -11.137 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.973 5.154 -12.138 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.269 4.234 -13.232 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.343 4.336 -14.008 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.217 5.312 -13.811 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -8.543 3.459 -14.984 1.00 0.00 N ATOM 0 H ARG A 67 -5.021 4.605 -8.485 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.399 2.246 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.502 3.159 -10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.211 4.441 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.420 5.352 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.288 3.912 -11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.899 5.419 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.556 6.076 -12.543 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.616 3.471 -13.411 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.067 5.988 -13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.040 5.388 -14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.872 2.706 -15.139 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.367 3.538 -15.579 1.00 0.00 H new ATOM 1086 N SER A 68 -3.981 2.307 -10.791 1.00 0.00 N ATOM 1087 CA SER A 68 -3.214 1.484 -11.719 1.00 0.00 C ATOM 1088 C SER A 68 -2.547 0.322 -10.991 1.00 0.00 C ATOM 1089 O SER A 68 -2.515 -0.803 -11.492 1.00 0.00 O ATOM 1090 CB SER A 68 -2.156 2.331 -12.429 1.00 0.00 C ATOM 1091 OG SER A 68 -2.738 3.131 -13.443 1.00 0.00 O ATOM 0 H SER A 68 -3.591 3.235 -10.629 1.00 0.00 H new ATOM 0 HA SER A 68 -3.902 1.078 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.650 2.969 -11.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.398 1.681 -12.865 1.00 0.00 H new ATOM 0 HG SER A 68 -2.988 4.002 -13.069 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.017 0.601 -9.805 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.350 -0.421 -9.006 1.00 0.00 C ATOM 1099 C LEU A 69 -2.311 -1.553 -8.658 1.00 0.00 C ATOM 1100 O LEU A 69 -1.993 -2.728 -8.840 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.784 0.194 -7.725 1.00 0.00 C ATOM 1102 CG LEU A 69 0.497 1.014 -7.883 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.187 1.191 -6.540 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.434 0.351 -8.883 1.00 0.00 C ATOM 0 H LEU A 69 -2.036 1.526 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.532 -0.832 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.549 0.833 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.592 -0.610 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 69 0.230 2.000 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.096 1.777 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.518 1.709 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.442 0.214 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.341 0.948 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.694 -0.647 -8.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.939 0.277 -9.851 1.00 0.00 H new ATOM 1116 N MET A 70 -3.488 -1.191 -8.159 1.00 0.00 N ATOM 1117 CA MET A 70 -4.497 -2.177 -7.789 1.00 0.00 C ATOM 1118 C MET A 70 -5.133 -2.796 -9.030 1.00 0.00 C ATOM 1119 O MET A 70 -5.558 -3.951 -9.011 1.00 0.00 O ATOM 1120 CB MET A 70 -5.576 -1.532 -6.916 1.00 0.00 C ATOM 1121 CG MET A 70 -6.503 -0.603 -7.684 1.00 0.00 C ATOM 1122 SD MET A 70 -7.595 0.338 -6.601 1.00 0.00 S ATOM 1123 CE MET A 70 -8.650 -0.965 -5.969 1.00 0.00 C ATOM 0 H MET A 70 -3.767 -0.223 -8.001 1.00 0.00 H new ATOM 0 HA MET A 70 -4.006 -2.967 -7.222 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.169 -2.317 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.096 -0.971 -6.114 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.907 0.087 -8.281 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.104 -1.189 -8.379 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.594 -0.537 -5.632 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.842 -1.692 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.156 -1.459 -5.132 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.197 -2.019 -10.106 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.782 -2.491 -11.356 1.00 0.00 C ATOM 1135 C PHE A 71 -5.288 -3.895 -11.692 1.00 0.00 C ATOM 1136 O PHE A 71 -6.048 -4.732 -12.177 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.442 -1.532 -12.498 1.00 0.00 C ATOM 1138 CG PHE A 71 -6.135 -1.865 -13.787 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.660 -2.879 -14.603 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -7.263 -1.164 -14.184 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -6.296 -3.186 -15.791 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.904 -1.468 -15.370 1.00 0.00 C ATOM 1143 CZ PHE A 71 -7.420 -2.481 -16.174 1.00 0.00 C ATOM 0 H PHE A 71 -4.851 -1.060 -10.138 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.864 -2.526 -11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.710 -0.518 -12.202 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.364 -1.542 -12.661 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.783 -3.436 -14.307 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.646 -0.371 -13.559 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.914 -3.977 -16.420 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.782 -0.914 -15.668 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.920 -2.722 -17.101 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.009 -4.145 -11.430 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.412 -5.446 -11.706 1.00 0.00 C ATOM 1155 C ASN A 72 -3.745 -6.443 -10.599 1.00 0.00 C ATOM 1156 O ASN A 72 -3.764 -7.654 -10.824 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.895 -5.315 -11.849 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.489 -4.734 -13.190 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.158 -5.467 -14.122 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.513 -3.410 -13.293 1.00 0.00 N ATOM 0 H ASN A 72 -3.366 -3.463 -11.027 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.828 -5.817 -12.643 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.511 -4.681 -11.050 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.435 -6.296 -11.727 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.250 -2.962 -14.171 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.794 -2.841 -12.494 1.00 0.00 H new ATOM 1167 N LEU A 73 -4.008 -5.925 -9.404 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.341 -6.768 -8.262 1.00 0.00 C ATOM 1169 C LEU A 73 -5.733 -7.372 -8.418 1.00 0.00 C ATOM 1170 O LEU A 73 -5.941 -8.557 -8.157 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.266 -5.959 -6.966 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.867 -5.532 -6.521 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -2.952 -4.553 -5.360 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.035 -6.747 -6.138 1.00 0.00 C ATOM 0 H LEU A 73 -3.997 -4.925 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.616 -7.580 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.877 -5.064 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.716 -6.548 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.378 -5.031 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.947 -4.260 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.510 -3.669 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.461 -5.027 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.042 -6.424 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.520 -7.277 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.945 -7.412 -6.997 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.684 -6.549 -8.847 1.00 0.00 N ATOM 1187 CA LYS A 74 -8.057 -7.001 -9.043 1.00 0.00 C ATOM 1188 C LYS A 74 -8.170 -7.876 -10.287 1.00 0.00 C ATOM 1189 O LYS A 74 -9.118 -8.647 -10.431 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.998 -5.801 -9.163 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.851 -5.041 -10.470 1.00 0.00 C ATOM 1192 CD LYS A 74 -10.014 -4.089 -10.696 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.610 -2.914 -11.572 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.755 -2.400 -12.374 1.00 0.00 N ATOM 0 H LYS A 74 -6.529 -5.565 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.345 -7.595 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.027 -6.146 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.812 -5.119 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.917 -4.480 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.792 -5.747 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.839 -4.626 -11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.376 -3.721 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.216 -2.113 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.806 -3.220 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.438 -1.600 -12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.115 -3.157 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.512 -2.084 -11.735 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.196 -7.752 -11.182 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.185 -8.534 -12.413 1.00 0.00 C ATOM 1210 C ASP A 75 -6.819 -9.987 -12.131 1.00 0.00 C ATOM 1211 O ASP A 75 -5.811 -10.286 -11.491 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.198 -7.932 -13.415 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.828 -6.848 -14.268 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -8.033 -6.961 -14.577 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.116 -5.887 -14.626 1.00 0.00 O ATOM 0 H ASP A 75 -6.404 -7.118 -11.078 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.187 -8.507 -12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.346 -7.517 -12.877 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.814 -8.721 -14.061 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.658 -10.914 -12.617 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.444 -12.352 -12.429 1.00 0.00 C ATOM 1222 C PRO A 76 -6.252 -12.870 -13.227 1.00 0.00 C ATOM 1223 O PRO A 76 -5.553 -13.786 -12.794 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.744 -12.974 -12.945 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.281 -11.980 -13.915 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.879 -10.630 -13.389 1.00 0.00 C ATOM 0 HA PRO A 76 -7.220 -12.599 -11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.560 -13.935 -13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.447 -13.153 -12.132 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.873 -12.148 -14.912 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.365 -12.060 -13.996 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.688 -9.924 -14.198 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.658 -10.194 -12.763 1.00 0.00 H new ATOM 1234 N LYS A 77 -6.025 -12.278 -14.394 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.917 -12.678 -15.253 1.00 0.00 C ATOM 1236 C LYS A 77 -3.594 -12.624 -14.495 1.00 0.00 C ATOM 1237 O LYS A 77 -2.686 -13.412 -14.756 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.847 -11.774 -16.486 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.518 -10.327 -16.161 1.00 0.00 C ATOM 1240 CD LYS A 77 -3.019 -10.079 -16.180 1.00 0.00 C ATOM 1241 CE LYS A 77 -2.472 -10.080 -17.599 1.00 0.00 C ATOM 1242 NZ LYS A 77 -1.064 -9.597 -17.652 1.00 0.00 N ATOM 0 H LYS A 77 -6.594 -11.518 -14.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.091 -13.705 -15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.094 -12.164 -17.170 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.803 -11.812 -17.009 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.006 -9.671 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.917 -10.074 -15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.801 -9.122 -15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.515 -10.847 -15.594 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.525 -11.089 -18.008 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.097 -9.447 -18.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.728 -9.613 -18.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.016 -8.625 -17.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.463 -10.216 -17.071 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.495 -11.690 -13.554 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.283 -11.535 -12.757 1.00 0.00 C ATOM 1258 C ASN A 78 -2.525 -11.959 -11.312 1.00 0.00 C ATOM 1259 O ASN A 78 -2.727 -11.121 -10.434 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.802 -10.083 -12.801 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.430 -9.910 -12.178 1.00 0.00 C ATOM 1262 OD1 ASN A 78 0.420 -10.795 -12.266 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.210 -8.764 -11.543 1.00 0.00 N ATOM 0 H ASN A 78 -4.238 -11.030 -13.325 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.513 -12.179 -13.182 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.773 -9.744 -13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.518 -9.450 -12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.694 -8.590 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.945 -8.058 -11.495 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.501 -13.266 -11.072 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.717 -13.802 -9.733 1.00 0.00 C ATOM 1272 C ASN A 79 -1.390 -14.135 -9.060 1.00 0.00 C ATOM 1273 O ASN A 79 -1.224 -15.215 -8.492 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.597 -15.052 -9.798 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.010 -16.127 -10.692 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.894 -15.990 -11.195 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.760 -17.204 -10.893 1.00 0.00 N ATOM 0 H ASN A 79 -2.334 -13.974 -11.787 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.223 -13.040 -9.140 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.730 -15.452 -8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.586 -14.778 -10.165 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.417 -17.961 -11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.679 -17.274 -10.456 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.448 -13.200 -9.126 1.00 0.00 N ATOM 1285 CA ILE A 80 0.864 -13.393 -8.522 1.00 0.00 C ATOM 1286 C ILE A 80 1.229 -12.224 -7.614 1.00 0.00 C ATOM 1287 O ILE A 80 1.687 -12.417 -6.487 1.00 0.00 O ATOM 1288 CB ILE A 80 1.959 -13.559 -9.592 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.650 -14.762 -10.487 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.322 -13.716 -8.936 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.608 -14.912 -11.648 1.00 0.00 C ATOM 0 H ILE A 80 -0.569 -12.301 -9.592 1.00 0.00 H new ATOM 0 HA ILE A 80 0.806 -14.306 -7.929 1.00 0.00 H new ATOM 0 HB ILE A 80 1.978 -12.663 -10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.677 -15.670 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.635 -14.666 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.085 -13.832 -9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.542 -12.832 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.317 -14.597 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.329 -15.784 -12.239 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.564 -14.020 -12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.622 -15.040 -11.269 1.00 0.00 H new ATOM 1303 N LEU A 81 1.021 -11.009 -8.111 1.00 0.00 N ATOM 1304 CA LEU A 81 1.327 -9.806 -7.345 1.00 0.00 C ATOM 1305 C LEU A 81 0.775 -9.910 -5.926 1.00 0.00 C ATOM 1306 O LEU A 81 1.532 -9.987 -4.959 1.00 0.00 O ATOM 1307 CB LEU A 81 0.747 -8.574 -8.041 1.00 0.00 C ATOM 1308 CG LEU A 81 1.507 -7.264 -7.828 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.925 -7.376 -8.364 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.773 -6.108 -8.492 1.00 0.00 C ATOM 0 H LEU A 81 0.642 -10.831 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 81 2.411 -9.707 -7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.701 -8.774 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.278 -8.436 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 81 1.560 -7.067 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.450 -6.434 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.449 -8.177 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.894 -7.597 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.328 -5.184 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.688 -6.298 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.223 -6.013 -8.060 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.549 -9.912 -5.811 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.203 -10.008 -4.511 1.00 0.00 C ATOM 1324 C PHE A 82 -0.477 -11.002 -3.609 1.00 0.00 C ATOM 1325 O PHE A 82 -0.405 -10.818 -2.394 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.664 -10.428 -4.681 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.864 -11.917 -4.679 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.085 -12.598 -3.493 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.829 -12.635 -5.864 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.270 -13.968 -3.488 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.014 -14.005 -5.865 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.233 -14.672 -4.676 1.00 0.00 C ATOM 0 H PHE A 82 -1.190 -9.848 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.168 -9.025 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.256 -9.989 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.045 -10.020 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.113 -12.052 -2.561 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.655 -12.119 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.443 -14.487 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.987 -14.553 -6.795 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.375 -15.743 -4.675 1.00 0.00 H new ATOM 1342 N LYS A 83 0.059 -12.057 -4.213 1.00 0.00 N ATOM 1343 CA LYS A 83 0.780 -13.082 -3.467 1.00 0.00 C ATOM 1344 C LYS A 83 2.176 -12.599 -3.089 1.00 0.00 C ATOM 1345 O LYS A 83 2.612 -12.758 -1.949 1.00 0.00 O ATOM 1346 CB LYS A 83 0.879 -14.368 -4.291 1.00 0.00 C ATOM 1347 CG LYS A 83 1.102 -15.613 -3.452 1.00 0.00 C ATOM 1348 CD LYS A 83 0.774 -16.877 -4.229 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.727 -17.048 -4.406 1.00 0.00 C ATOM 1350 NZ LYS A 83 -1.059 -18.295 -5.150 1.00 0.00 N ATOM 0 H LYS A 83 0.008 -12.225 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 83 0.225 -13.287 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.036 -14.490 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.697 -14.270 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.140 -15.648 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.483 -15.565 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.255 -16.840 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.181 -17.743 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.208 -17.070 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.130 -16.188 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.091 -18.375 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.621 -18.264 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.697 -19.118 -4.627 1.00 0.00 H new ATOM 1364 N LYS A 84 2.873 -12.007 -4.054 1.00 0.00 N ATOM 1365 CA LYS A 84 4.220 -11.498 -3.823 1.00 0.00 C ATOM 1366 C LYS A 84 4.223 -10.450 -2.714 1.00 0.00 C ATOM 1367 O LYS A 84 5.156 -10.380 -1.914 1.00 0.00 O ATOM 1368 CB LYS A 84 4.787 -10.895 -5.110 1.00 0.00 C ATOM 1369 CG LYS A 84 4.912 -11.895 -6.246 1.00 0.00 C ATOM 1370 CD LYS A 84 5.542 -11.264 -7.477 1.00 0.00 C ATOM 1371 CE LYS A 84 4.582 -10.306 -8.165 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.140 -9.784 -9.443 1.00 0.00 N ATOM 0 H LYS A 84 2.527 -11.868 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 84 4.848 -12.333 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.146 -10.073 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.769 -10.471 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.515 -12.743 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.926 -12.284 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.448 -10.730 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.841 -12.046 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.639 -10.816 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.361 -9.473 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.456 -9.135 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.027 -9.275 -9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.328 -10.577 -10.089 1.00 0.00 H new ATOM 1386 N VAL A 85 3.171 -9.638 -2.670 1.00 0.00 N ATOM 1387 CA VAL A 85 3.051 -8.596 -1.658 1.00 0.00 C ATOM 1388 C VAL A 85 2.762 -9.194 -0.286 1.00 0.00 C ATOM 1389 O VAL A 85 3.519 -8.992 0.664 1.00 0.00 O ATOM 1390 CB VAL A 85 1.938 -7.593 -2.014 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.677 -6.649 -0.850 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.303 -6.816 -3.270 1.00 0.00 C ATOM 0 H VAL A 85 2.390 -9.682 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 85 4.006 -8.071 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 85 1.022 -8.149 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.888 -5.948 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.368 -7.224 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.588 -6.098 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.505 -6.112 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.231 -6.270 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.434 -7.509 -4.101 1.00 0.00 H new ATOM 1402 N LEU A 86 1.661 -9.931 -0.188 1.00 0.00 N ATOM 1403 CA LEU A 86 1.271 -10.560 1.069 1.00 0.00 C ATOM 1404 C LEU A 86 2.387 -11.454 1.601 1.00 0.00 C ATOM 1405 O LEU A 86 2.721 -11.410 2.785 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.006 -11.381 0.877 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.323 -10.615 1.013 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.447 -9.568 -0.084 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.504 -11.573 0.974 1.00 0.00 C ATOM 0 H LEU A 86 1.023 -10.108 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 86 1.083 -9.771 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.025 -11.838 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.005 -12.193 1.604 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.327 -10.105 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.390 -9.033 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.619 -8.863 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.421 -10.057 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.432 -11.010 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.505 -12.112 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.423 -12.285 1.796 1.00 0.00 H new ATOM 1421 N LYS A 87 2.962 -12.262 0.717 1.00 0.00 N ATOM 1422 CA LYS A 87 4.044 -13.164 1.095 1.00 0.00 C ATOM 1423 C LYS A 87 5.266 -12.381 1.566 1.00 0.00 C ATOM 1424 O LYS A 87 5.877 -12.716 2.579 1.00 0.00 O ATOM 1425 CB LYS A 87 4.424 -14.061 -0.085 1.00 0.00 C ATOM 1426 CG LYS A 87 3.357 -15.083 -0.440 1.00 0.00 C ATOM 1427 CD LYS A 87 3.301 -16.208 0.580 1.00 0.00 C ATOM 1428 CE LYS A 87 2.787 -17.498 -0.042 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.876 -18.265 -0.708 1.00 0.00 N ATOM 0 H LYS A 87 2.697 -12.311 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 87 3.693 -13.786 1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.622 -13.437 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.352 -14.583 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.385 -14.592 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.562 -15.496 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.295 -16.374 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.654 -15.918 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.328 -18.115 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.009 -17.266 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.485 -19.137 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.298 -17.686 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.606 -18.509 -0.009 1.00 0.00 H new ATOM 1443 N GLY A 88 5.615 -11.335 0.823 1.00 0.00 N ATOM 1444 CA GLY A 88 6.761 -10.520 1.181 1.00 0.00 C ATOM 1445 C GLY A 88 7.646 -10.208 -0.010 1.00 0.00 C ATOM 1446 O GLY A 88 8.328 -9.184 -0.033 1.00 0.00 O ATOM 0 H GLY A 88 5.124 -11.038 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.415 -9.587 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.348 -11.037 1.940 1.00 0.00 H new ATOM 1450 N GLU A 89 7.636 -11.094 -1.001 1.00 0.00 N ATOM 1451 CA GLU A 89 8.446 -10.909 -2.199 1.00 0.00 C ATOM 1452 C GLU A 89 8.450 -9.445 -2.632 1.00 0.00 C ATOM 1453 O GLU A 89 9.449 -8.940 -3.144 1.00 0.00 O ATOM 1454 CB GLU A 89 7.922 -11.787 -3.337 1.00 0.00 C ATOM 1455 CG GLU A 89 8.042 -13.276 -3.062 1.00 0.00 C ATOM 1456 CD GLU A 89 9.401 -13.831 -3.444 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.411 -13.132 -3.219 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.454 -14.964 -3.966 1.00 0.00 O ATOM 0 H GLU A 89 7.076 -11.947 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 89 9.469 -11.204 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.876 -11.543 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.469 -11.549 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.862 -13.462 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.268 -13.808 -3.615 1.00 0.00 H new ATOM 1465 N VAL A 90 7.325 -8.769 -2.422 1.00 0.00 N ATOM 1466 CA VAL A 90 7.198 -7.364 -2.789 1.00 0.00 C ATOM 1467 C VAL A 90 6.785 -6.518 -1.590 1.00 0.00 C ATOM 1468 O VAL A 90 6.059 -6.980 -0.709 1.00 0.00 O ATOM 1469 CB VAL A 90 6.169 -7.169 -3.919 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.823 -5.697 -4.078 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.697 -7.746 -5.224 1.00 0.00 C ATOM 0 H VAL A 90 6.489 -9.172 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 90 8.178 -7.039 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 90 5.257 -7.704 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.095 -5.579 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.401 -5.320 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.725 -5.135 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.958 -7.600 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.623 -7.240 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.889 -8.812 -5.099 1.00 0.00 H new ATOM 1481 N THR A 91 7.252 -5.273 -1.561 1.00 0.00 N ATOM 1482 CA THR A 91 6.933 -4.362 -0.470 1.00 0.00 C ATOM 1483 C THR A 91 5.884 -3.341 -0.896 1.00 0.00 C ATOM 1484 O THR A 91 5.766 -2.989 -2.070 1.00 0.00 O ATOM 1485 CB THR A 91 8.187 -3.616 0.025 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.115 -3.450 -1.053 1.00 0.00 O ATOM 1487 CG2 THR A 91 8.853 -4.375 1.163 1.00 0.00 C ATOM 0 H THR A 91 7.853 -4.873 -2.282 1.00 0.00 H new ATOM 0 HA THR A 91 6.536 -4.970 0.343 1.00 0.00 H new ATOM 0 HB THR A 91 7.880 -2.637 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.909 -2.974 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.736 -3.830 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.153 -4.474 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.148 -5.365 0.816 1.00 0.00 H new ATOM 1495 N PRO A 92 5.103 -2.852 0.079 1.00 0.00 N ATOM 1496 CA PRO A 92 4.050 -1.863 -0.171 1.00 0.00 C ATOM 1497 C PRO A 92 4.615 -0.495 -0.538 1.00 0.00 C ATOM 1498 O PRO A 92 3.878 0.403 -0.943 1.00 0.00 O ATOM 1499 CB PRO A 92 3.305 -1.793 1.164 1.00 0.00 C ATOM 1500 CG PRO A 92 4.309 -2.214 2.181 1.00 0.00 C ATOM 1501 CD PRO A 92 5.187 -3.227 1.501 1.00 0.00 C ATOM 0 HA PRO A 92 3.418 -2.145 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.940 -0.785 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.437 -2.452 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.893 -1.362 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.822 -2.645 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.212 -3.181 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.833 -4.244 1.670 1.00 0.00 H new ATOM 1509 N ASP A 93 5.927 -0.344 -0.395 1.00 0.00 N ATOM 1510 CA ASP A 93 6.592 0.914 -0.713 1.00 0.00 C ATOM 1511 C ASP A 93 7.162 0.885 -2.128 1.00 0.00 C ATOM 1512 O ASP A 93 7.142 1.891 -2.838 1.00 0.00 O ATOM 1513 CB ASP A 93 7.708 1.195 0.294 1.00 0.00 C ATOM 1514 CG ASP A 93 8.812 0.158 0.240 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.502 0.079 -0.799 1.00 0.00 O ATOM 1516 OD2 ASP A 93 8.986 -0.575 1.235 1.00 0.00 O ATOM 0 H ASP A 93 6.552 -1.078 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 93 5.852 1.712 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.130 2.181 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.288 1.222 1.299 1.00 0.00 H new ATOM 1521 N HIS A 94 7.671 -0.275 -2.532 1.00 0.00 N ATOM 1522 CA HIS A 94 8.248 -0.435 -3.862 1.00 0.00 C ATOM 1523 C HIS A 94 7.155 -0.655 -4.904 1.00 0.00 C ATOM 1524 O HIS A 94 7.281 -0.222 -6.051 1.00 0.00 O ATOM 1525 CB HIS A 94 9.228 -1.608 -3.878 1.00 0.00 C ATOM 1526 CG HIS A 94 10.223 -1.542 -4.995 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.218 -0.591 -5.061 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.373 -2.318 -6.094 1.00 0.00 C ATOM 1529 CE1 HIS A 94 11.937 -0.783 -6.153 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.444 -1.826 -6.797 1.00 0.00 N ATOM 0 H HIS A 94 7.695 -1.117 -1.958 1.00 0.00 H new ATOM 0 HA HIS A 94 8.785 0.480 -4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.762 -1.638 -2.928 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.666 -2.539 -3.957 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.763 -3.167 -6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.783 -0.189 -6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.801 -2.204 -7.674 1.00 0.00 H new ATOM 1539 N LEU A 95 6.086 -1.331 -4.500 1.00 0.00 N ATOM 1540 CA LEU A 95 4.972 -1.609 -5.399 1.00 0.00 C ATOM 1541 C LEU A 95 4.646 -0.390 -6.256 1.00 0.00 C ATOM 1542 O LEU A 95 4.105 -0.518 -7.355 1.00 0.00 O ATOM 1543 CB LEU A 95 3.737 -2.029 -4.599 1.00 0.00 C ATOM 1544 CG LEU A 95 2.451 -2.223 -5.403 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.493 -3.537 -6.168 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.237 -2.176 -4.486 1.00 0.00 C ATOM 0 H LEU A 95 5.967 -1.697 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 95 5.265 -2.426 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.963 -2.962 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.552 -1.277 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 95 2.369 -1.409 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.570 -3.658 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.341 -3.532 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.599 -4.364 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.331 -2.316 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.312 -2.969 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.198 -1.210 -3.984 1.00 0.00 H new ATOM 1558 N ILE A 96 4.980 0.791 -5.747 1.00 0.00 N ATOM 1559 CA ILE A 96 4.726 2.032 -6.468 1.00 0.00 C ATOM 1560 C ILE A 96 5.681 2.189 -7.646 1.00 0.00 C ATOM 1561 O ILE A 96 5.278 2.080 -8.804 1.00 0.00 O ATOM 1562 CB ILE A 96 4.862 3.257 -5.544 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.119 3.016 -4.228 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.333 4.504 -6.237 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.678 3.805 -3.065 1.00 0.00 C ATOM 0 H ILE A 96 5.427 0.915 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 96 3.702 1.978 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 96 5.918 3.410 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.069 3.275 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.158 1.954 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.436 5.361 -5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.902 4.682 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.282 4.363 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.103 3.585 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.720 3.529 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.614 4.871 -3.284 1.00 0.00 H new ATOM 1577 N ARG A 97 6.950 2.444 -7.342 1.00 0.00 N ATOM 1578 CA ARG A 97 7.963 2.616 -8.376 1.00 0.00 C ATOM 1579 C ARG A 97 7.755 1.619 -9.512 1.00 0.00 C ATOM 1580 O ARG A 97 8.025 1.921 -10.674 1.00 0.00 O ATOM 1581 CB ARG A 97 9.362 2.444 -7.782 1.00 0.00 C ATOM 1582 CG ARG A 97 9.720 3.500 -6.749 1.00 0.00 C ATOM 1583 CD ARG A 97 9.335 3.060 -5.346 1.00 0.00 C ATOM 1584 NE ARG A 97 10.229 3.616 -4.334 1.00 0.00 N ATOM 1585 CZ ARG A 97 10.120 4.850 -3.854 1.00 0.00 C ATOM 1586 NH1 ARG A 97 9.160 5.652 -4.293 1.00 0.00 N ATOM 1587 NH2 ARG A 97 10.972 5.283 -2.934 1.00 0.00 N ATOM 0 H ARG A 97 7.300 2.536 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 97 7.868 3.624 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.433 1.459 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.096 2.473 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.791 3.700 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.212 4.434 -6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.312 3.371 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.355 1.972 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 97 10.979 3.024 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.503 5.322 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.078 6.599 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.712 4.668 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.887 6.231 -2.566 1.00 0.00 H new ATOM 1601 N MET A 98 7.274 0.429 -9.168 1.00 0.00 N ATOM 1602 CA MET A 98 7.029 -0.612 -10.159 1.00 0.00 C ATOM 1603 C MET A 98 6.098 -0.109 -11.258 1.00 0.00 C ATOM 1604 O MET A 98 5.004 0.383 -10.981 1.00 0.00 O ATOM 1605 CB MET A 98 6.426 -1.850 -9.491 1.00 0.00 C ATOM 1606 CG MET A 98 7.318 -2.460 -8.423 1.00 0.00 C ATOM 1607 SD MET A 98 6.617 -3.958 -7.704 1.00 0.00 S ATOM 1608 CE MET A 98 6.978 -5.151 -8.990 1.00 0.00 C ATOM 0 H MET A 98 7.046 0.162 -8.210 1.00 0.00 H new ATOM 0 HA MET A 98 7.984 -0.880 -10.611 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.469 -1.581 -9.043 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.221 -2.601 -10.254 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.291 -2.691 -8.856 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.486 -1.727 -7.634 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.073 -5.708 -9.234 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.335 -4.631 -9.879 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.746 -5.841 -8.641 1.00 0.00 H new ATOM 1618 N SER A 99 6.541 -0.234 -12.505 1.00 0.00 N ATOM 1619 CA SER A 99 5.749 0.212 -13.645 1.00 0.00 C ATOM 1620 C SER A 99 4.559 -0.714 -13.876 1.00 0.00 C ATOM 1621 O SER A 99 4.533 -1.859 -13.423 1.00 0.00 O ATOM 1622 CB SER A 99 6.616 0.269 -14.904 1.00 0.00 C ATOM 1623 OG SER A 99 7.221 1.543 -15.049 1.00 0.00 O ATOM 0 H SER A 99 7.444 -0.640 -12.751 1.00 0.00 H new ATOM 0 HA SER A 99 5.373 1.211 -13.425 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.387 -0.500 -14.854 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.005 0.051 -15.780 1.00 0.00 H new ATOM 0 HG SER A 99 7.771 1.553 -15.860 1.00 0.00 H new ATOM 1629 N PRO A 100 3.548 -0.208 -14.598 1.00 0.00 N ATOM 1630 CA PRO A 100 2.335 -0.972 -14.907 1.00 0.00 C ATOM 1631 C PRO A 100 2.600 -2.107 -15.891 1.00 0.00 C ATOM 1632 O PRO A 100 1.694 -2.865 -16.235 1.00 0.00 O ATOM 1633 CB PRO A 100 1.407 0.073 -15.532 1.00 0.00 C ATOM 1634 CG PRO A 100 2.323 1.107 -16.090 1.00 0.00 C ATOM 1635 CD PRO A 100 3.511 1.149 -15.169 1.00 0.00 C ATOM 0 HA PRO A 100 1.920 -1.455 -14.022 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.784 -0.366 -16.311 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.734 0.500 -14.789 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.626 0.853 -17.106 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.832 2.079 -16.138 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.429 1.383 -15.708 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.393 1.908 -14.395 1.00 0.00 H new ATOM 1643 N GLU A 101 3.847 -2.217 -16.339 1.00 0.00 N ATOM 1644 CA GLU A 101 4.229 -3.259 -17.284 1.00 0.00 C ATOM 1645 C GLU A 101 4.819 -4.464 -16.556 1.00 0.00 C ATOM 1646 O GLU A 101 4.771 -5.587 -17.055 1.00 0.00 O ATOM 1647 CB GLU A 101 5.239 -2.716 -18.296 1.00 0.00 C ATOM 1648 CG GLU A 101 5.847 -3.788 -19.185 1.00 0.00 C ATOM 1649 CD GLU A 101 7.133 -3.335 -19.849 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.052 -2.654 -20.893 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.219 -3.661 -19.326 1.00 0.00 O ATOM 0 H GLU A 101 4.609 -1.598 -16.063 1.00 0.00 H new ATOM 0 HA GLU A 101 3.332 -3.580 -17.814 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.748 -1.972 -18.923 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.038 -2.204 -17.760 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.044 -4.679 -18.590 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.126 -4.070 -19.952 1.00 0.00 H new ATOM 1658 N GLU A 102 5.376 -4.219 -15.374 1.00 0.00 N ATOM 1659 CA GLU A 102 5.977 -5.282 -14.578 1.00 0.00 C ATOM 1660 C GLU A 102 4.917 -6.014 -13.759 1.00 0.00 C ATOM 1661 O GLU A 102 4.915 -7.244 -13.683 1.00 0.00 O ATOM 1662 CB GLU A 102 7.050 -4.711 -13.649 1.00 0.00 C ATOM 1663 CG GLU A 102 8.380 -4.458 -14.339 1.00 0.00 C ATOM 1664 CD GLU A 102 9.553 -4.503 -13.379 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.847 -5.598 -12.854 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.176 -3.445 -13.152 1.00 0.00 O ATOM 0 H GLU A 102 5.423 -3.294 -14.947 1.00 0.00 H new ATOM 0 HA GLU A 102 6.440 -5.994 -15.261 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.688 -3.776 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.206 -5.401 -12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.527 -5.203 -15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.352 -3.484 -14.827 1.00 0.00 H new ATOM 1673 N LEU A 103 4.019 -5.250 -13.147 1.00 0.00 N ATOM 1674 CA LEU A 103 2.954 -5.824 -12.333 1.00 0.00 C ATOM 1675 C LEU A 103 2.375 -7.072 -12.994 1.00 0.00 C ATOM 1676 O LEU A 103 2.148 -8.086 -12.336 1.00 0.00 O ATOM 1677 CB LEU A 103 1.846 -4.794 -12.106 1.00 0.00 C ATOM 1678 CG LEU A 103 2.273 -3.487 -11.435 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.122 -2.493 -11.423 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.768 -3.751 -10.020 1.00 0.00 C ATOM 0 H LEU A 103 4.007 -4.231 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 103 3.380 -6.109 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.397 -4.555 -13.070 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.068 -5.255 -11.497 1.00 0.00 H new ATOM 0 HG LEU A 103 3.092 -3.056 -12.010 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.444 -1.569 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.814 -2.281 -12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.282 -2.916 -10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.068 -2.810 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.969 -4.205 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.622 -4.427 -10.054 1.00 0.00 H new