USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 92 LYS NZ :NH3+ 176:sc= -1.61! (180deg=-1.28!) USER MOD Set 1.2: A 96 GLN : amide:sc= -1.04 K(o=-2.7,f=0.89) USER MOD Set 2.1: A 36 GLN : amide:sc= -10.3! C(o=-13!,f=-2.7!) USER MOD Set 2.2: A 78 TYR OH : rot 0:sc= -3.13! USER MOD Set 3.1: A 21 THR OG1 : rot 83:sc= 0.208 USER MOD Set 3.2: A 45 GLN : amide:sc= -0.161 X(o=0.047,f=0.12) USER MOD Set 4.1: A 15 THR OG1 : rot 55:sc= 0.0464 USER MOD Set 4.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 115:sc= 1.04 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 34 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.2!) USER MOD Single : A 39 GLN : amide:sc= -4.43! K(o=-4.4!,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 49 TYR OH : rot -140:sc= 0.728 USER MOD Single : A 51 SER OG : rot -105:sc= -0.725! USER MOD Single : A 53 TYR OH : rot 112:sc= 0.7 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -1.35 (180deg=-1.36) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -14:sc= 0.364 USER MOD Single : A 67 THR OG1 : rot 70:sc= -0.316 USER MOD Single : A 68 MET CE :methyl -157:sc= -0.103 (180deg=-0.316) USER MOD Single : A 69 GLN : amide:sc= -0.0473 K(o=-0.047,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 61:sc= -0.976 USER MOD Single : A 73 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.05) USER MOD Single : A 74 SER OG : rot -80:sc=-0.00175 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 76:sc= -0.122! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -0.0545 (180deg=-0.406) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -89:sc= 0.0565 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot -114:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 77.475 -9.868 8.108 1.00 0.00 N ATOM 106 CA ASN A 10 77.278 -11.196 7.543 1.00 0.00 C ATOM 107 C ASN A 10 78.599 -11.756 7.031 1.00 0.00 C ATOM 108 O ASN A 10 79.622 -11.680 7.712 1.00 0.00 O ATOM 109 CB ASN A 10 76.262 -11.132 6.400 1.00 0.00 C ATOM 110 CG ASN A 10 75.594 -12.492 6.218 1.00 0.00 C ATOM 111 OD1 ASN A 10 75.494 -13.268 7.169 1.00 0.00 O ATOM 112 ND2 ASN A 10 75.128 -12.829 5.047 1.00 0.00 N ATOM 0 HA ASN A 10 76.898 -11.854 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.509 -10.374 6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.759 -10.836 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.680 -13.736 4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 10 75.212 -12.185 4.260 1.00 0.00 H new ATOM 119 N TYR A 11 78.575 -12.319 5.831 1.00 0.00 N ATOM 120 CA TYR A 11 79.780 -12.889 5.241 1.00 0.00 C ATOM 121 C TYR A 11 80.037 -12.292 3.862 1.00 0.00 C ATOM 122 O TYR A 11 80.086 -11.073 3.705 1.00 0.00 O ATOM 123 CB TYR A 11 79.634 -14.405 5.134 1.00 0.00 C ATOM 124 CG TYR A 11 79.290 -14.970 6.489 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.309 -15.327 7.379 1.00 0.00 C ATOM 126 CD2 TYR A 11 77.950 -15.134 6.855 1.00 0.00 C ATOM 127 CE1 TYR A 11 79.988 -15.848 8.638 1.00 0.00 C ATOM 128 CE2 TYR A 11 77.627 -15.655 8.114 1.00 0.00 C ATOM 129 CZ TYR A 11 78.646 -16.012 9.006 1.00 0.00 C ATOM 130 OH TYR A 11 78.328 -16.526 10.246 1.00 0.00 O ATOM 0 H TYR A 11 77.740 -12.394 5.249 1.00 0.00 H new ATOM 0 HA TYR A 11 80.629 -12.652 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.855 -14.657 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.561 -14.846 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.343 -15.201 7.095 1.00 0.00 H new ATOM 0 HD2 TYR A 11 77.165 -14.859 6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.774 -16.123 9.325 1.00 0.00 H new ATOM 0 HE2 TYR A 11 76.592 -15.781 8.397 1.00 0.00 H new ATOM 0 HH TYR A 11 77.354 -16.573 10.341 1.00 0.00 H new ATOM 140 N SER A 12 80.196 -13.156 2.866 1.00 0.00 N ATOM 141 CA SER A 12 80.443 -12.694 1.507 1.00 0.00 C ATOM 142 C SER A 12 79.385 -11.683 1.091 1.00 0.00 C ATOM 143 O SER A 12 79.687 -10.699 0.422 1.00 0.00 O ATOM 144 CB SER A 12 80.423 -13.879 0.541 1.00 0.00 C ATOM 145 OG SER A 12 81.752 -14.178 0.137 1.00 0.00 O ATOM 0 H SER A 12 80.159 -14.170 2.972 1.00 0.00 H new ATOM 0 HA SER A 12 81.423 -12.217 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 12 79.973 -14.747 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.810 -13.643 -0.329 1.00 0.00 H new ATOM 0 HG SER A 12 81.743 -14.938 -0.481 1.00 0.00 H new ATOM 151 N GLN A 13 78.144 -11.933 1.493 1.00 0.00 N ATOM 152 CA GLN A 13 77.045 -11.037 1.157 1.00 0.00 C ATOM 153 C GLN A 13 77.302 -9.632 1.697 1.00 0.00 C ATOM 154 O GLN A 13 77.256 -8.653 0.951 1.00 0.00 O ATOM 155 CB GLN A 13 75.737 -11.577 1.740 1.00 0.00 C ATOM 156 CG GLN A 13 74.612 -11.408 0.711 1.00 0.00 C ATOM 157 CD GLN A 13 73.296 -11.979 1.259 1.00 0.00 C ATOM 158 OE1 GLN A 13 72.473 -11.222 1.774 1.00 0.00 O ATOM 159 NE2 GLN A 13 73.032 -13.266 1.186 1.00 0.00 N ATOM 0 H GLN A 13 77.875 -12.745 2.049 1.00 0.00 H new ATOM 0 HA GLN A 13 76.969 -10.983 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.850 -12.629 2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.488 -11.045 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.486 -10.352 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 13 74.879 -11.916 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 13 73.707 -13.902 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 13 72.152 -13.628 1.554 1.00 0.00 H new ATOM 168 N ASP A 14 77.566 -9.540 2.996 1.00 0.00 N ATOM 169 CA ASP A 14 77.822 -8.247 3.619 1.00 0.00 C ATOM 170 C ASP A 14 79.198 -7.717 3.228 1.00 0.00 C ATOM 171 O ASP A 14 79.411 -6.506 3.168 1.00 0.00 O ATOM 172 CB ASP A 14 77.744 -8.378 5.142 1.00 0.00 C ATOM 173 CG ASP A 14 78.248 -7.098 5.801 1.00 0.00 C ATOM 174 OD1 ASP A 14 79.454 -6.945 5.907 1.00 0.00 O ATOM 175 OD2 ASP A 14 77.422 -6.289 6.190 1.00 0.00 O ATOM 0 H ASP A 14 77.608 -10.336 3.632 1.00 0.00 H new ATOM 0 HA ASP A 14 77.064 -7.546 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 14 76.716 -8.573 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.341 -9.227 5.474 1.00 0.00 H new ATOM 180 N THR A 15 80.131 -8.628 2.973 1.00 0.00 N ATOM 181 CA THR A 15 81.486 -8.232 2.604 1.00 0.00 C ATOM 182 C THR A 15 81.521 -7.569 1.231 1.00 0.00 C ATOM 183 O THR A 15 82.123 -6.513 1.063 1.00 0.00 O ATOM 184 CB THR A 15 82.400 -9.456 2.584 1.00 0.00 C ATOM 185 OG1 THR A 15 82.218 -10.203 3.780 1.00 0.00 O ATOM 186 CG2 THR A 15 83.858 -9.006 2.478 1.00 0.00 C ATOM 0 H THR A 15 79.977 -9.635 3.014 1.00 0.00 H new ATOM 0 HA THR A 15 81.832 -7.514 3.347 1.00 0.00 H new ATOM 0 HB THR A 15 82.152 -10.080 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.270 -10.429 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.509 -9.880 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.997 -8.436 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.109 -8.381 3.335 1.00 0.00 H new ATOM 194 N LEU A 16 80.886 -8.199 0.249 1.00 0.00 N ATOM 195 CA LEU A 16 80.874 -7.658 -1.107 1.00 0.00 C ATOM 196 C LEU A 16 79.975 -6.428 -1.196 1.00 0.00 C ATOM 197 O LEU A 16 80.243 -5.513 -1.972 1.00 0.00 O ATOM 198 CB LEU A 16 80.397 -8.727 -2.093 1.00 0.00 C ATOM 199 CG LEU A 16 78.926 -9.063 -1.813 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.990 -8.085 -2.539 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.637 -10.488 -2.295 1.00 0.00 C ATOM 0 H LEU A 16 80.377 -9.076 0.363 1.00 0.00 H new ATOM 0 HA LEU A 16 81.890 -7.359 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.511 -8.369 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.010 -9.623 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 16 78.748 -8.980 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.954 -8.346 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 16 78.188 -7.070 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.163 -8.145 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.593 -10.734 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 16 78.831 -10.556 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.281 -11.189 -1.764 1.00 0.00 H new ATOM 213 N THR A 17 78.909 -6.413 -0.405 1.00 0.00 N ATOM 214 CA THR A 17 77.983 -5.285 -0.416 1.00 0.00 C ATOM 215 C THR A 17 78.673 -4.008 0.055 1.00 0.00 C ATOM 216 O THR A 17 78.602 -2.973 -0.609 1.00 0.00 O ATOM 217 CB THR A 17 76.788 -5.583 0.493 1.00 0.00 C ATOM 218 OG1 THR A 17 76.105 -6.734 0.016 1.00 0.00 O ATOM 219 CG2 THR A 17 75.836 -4.386 0.496 1.00 0.00 C ATOM 0 H THR A 17 78.665 -7.160 0.246 1.00 0.00 H new ATOM 0 HA THR A 17 77.639 -5.138 -1.440 1.00 0.00 H new ATOM 0 HB THR A 17 77.141 -5.766 1.508 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.180 -7.456 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.985 -4.599 1.143 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.361 -3.505 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.482 -4.200 -0.518 1.00 0.00 H new ATOM 227 N VAL A 18 79.330 -4.086 1.206 1.00 0.00 N ATOM 228 CA VAL A 18 80.019 -2.925 1.761 1.00 0.00 C ATOM 229 C VAL A 18 81.182 -2.495 0.869 1.00 0.00 C ATOM 230 O VAL A 18 81.262 -1.338 0.456 1.00 0.00 O ATOM 231 CB VAL A 18 80.538 -3.248 3.162 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.186 -2.001 3.765 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.369 -3.689 4.047 1.00 0.00 C ATOM 0 H VAL A 18 79.401 -4.933 1.770 1.00 0.00 H new ATOM 0 HA VAL A 18 79.306 -2.103 1.815 1.00 0.00 H new ATOM 0 HB VAL A 18 81.275 -4.049 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.556 -2.230 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.016 -1.681 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.448 -1.201 3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.737 -3.920 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 78.635 -2.886 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 18 78.902 -4.576 3.618 1.00 0.00 H new ATOM 243 N ILE A 19 82.087 -3.427 0.582 1.00 0.00 N ATOM 244 CA ILE A 19 83.242 -3.119 -0.257 1.00 0.00 C ATOM 245 C ILE A 19 82.800 -2.609 -1.615 1.00 0.00 C ATOM 246 O ILE A 19 83.409 -1.701 -2.176 1.00 0.00 O ATOM 247 CB ILE A 19 84.136 -4.364 -0.409 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.517 -4.052 0.189 1.00 0.00 C ATOM 249 CG2 ILE A 19 84.276 -4.755 -1.892 1.00 0.00 C ATOM 250 CD1 ILE A 19 86.457 -5.255 0.049 1.00 0.00 C ATOM 0 H ILE A 19 82.045 -4.391 0.913 1.00 0.00 H new ATOM 0 HA ILE A 19 83.820 -2.332 0.227 1.00 0.00 H new ATOM 0 HB ILE A 19 83.683 -5.204 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.949 -3.187 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 85.411 -3.788 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.911 -5.637 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.292 -4.976 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.724 -3.930 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 19 87.428 -5.010 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 19 86.033 -6.111 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 19 86.579 -5.500 -1.006 1.00 0.00 H new ATOM 262 N ALA A 20 81.747 -3.196 -2.150 1.00 0.00 N ATOM 263 CA ALA A 20 81.270 -2.781 -3.450 1.00 0.00 C ATOM 264 C ALA A 20 80.731 -1.357 -3.412 1.00 0.00 C ATOM 265 O ALA A 20 80.816 -0.637 -4.400 1.00 0.00 O ATOM 266 CB ALA A 20 80.181 -3.734 -3.947 1.00 0.00 C ATOM 0 H ALA A 20 81.215 -3.948 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 20 82.115 -2.810 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 20 79.832 -3.408 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 20 80.587 -4.743 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 20 79.347 -3.731 -3.245 1.00 0.00 H new ATOM 272 N THR A 21 80.169 -0.955 -2.276 1.00 0.00 N ATOM 273 CA THR A 21 79.609 0.390 -2.150 1.00 0.00 C ATOM 274 C THR A 21 80.701 1.460 -2.090 1.00 0.00 C ATOM 275 O THR A 21 80.661 2.437 -2.835 1.00 0.00 O ATOM 276 CB THR A 21 78.747 0.476 -0.889 1.00 0.00 C ATOM 277 OG1 THR A 21 78.027 -0.738 -0.724 1.00 0.00 O ATOM 278 CG2 THR A 21 77.764 1.640 -1.024 1.00 0.00 C ATOM 0 H THR A 21 80.089 -1.531 -1.438 1.00 0.00 H new ATOM 0 HA THR A 21 79.002 0.577 -3.036 1.00 0.00 H new ATOM 0 HB THR A 21 79.386 0.639 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.598 -1.399 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.149 1.703 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.317 2.571 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.124 1.477 -1.891 1.00 0.00 H new ATOM 286 N LEU A 22 81.667 1.278 -1.195 1.00 0.00 N ATOM 287 CA LEU A 22 82.749 2.250 -1.046 1.00 0.00 C ATOM 288 C LEU A 22 83.523 2.410 -2.349 1.00 0.00 C ATOM 289 O LEU A 22 83.732 3.525 -2.836 1.00 0.00 O ATOM 290 CB LEU A 22 83.709 1.776 0.041 1.00 0.00 C ATOM 291 CG LEU A 22 82.993 1.769 1.392 1.00 0.00 C ATOM 292 CD1 LEU A 22 83.487 0.587 2.227 1.00 0.00 C ATOM 293 CD2 LEU A 22 83.290 3.073 2.137 1.00 0.00 C ATOM 0 H LEU A 22 81.725 0.476 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 22 82.311 3.211 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.074 0.776 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.579 2.431 0.083 1.00 0.00 H new ATOM 0 HG LEU A 22 81.919 1.678 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.976 0.583 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.276 -0.344 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 22 84.561 0.678 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.779 3.067 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.364 3.164 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.938 3.918 1.545 1.00 0.00 H new ATOM 305 N ARG A 23 83.939 1.287 -2.908 1.00 0.00 N ATOM 306 CA ARG A 23 84.686 1.295 -4.154 1.00 0.00 C ATOM 307 C ARG A 23 83.782 1.739 -5.297 1.00 0.00 C ATOM 308 O ARG A 23 84.242 2.347 -6.260 1.00 0.00 O ATOM 309 CB ARG A 23 85.255 -0.102 -4.419 1.00 0.00 C ATOM 310 CG ARG A 23 86.379 -0.387 -3.411 1.00 0.00 C ATOM 311 CD ARG A 23 86.326 -1.852 -2.965 1.00 0.00 C ATOM 312 NE ARG A 23 87.640 -2.314 -2.536 1.00 0.00 N ATOM 313 CZ ARG A 23 88.070 -2.093 -1.298 1.00 0.00 C ATOM 314 NH1 ARG A 23 87.362 -1.364 -0.480 1.00 0.00 N ATOM 315 NH2 ARG A 23 89.207 -2.595 -0.906 1.00 0.00 N ATOM 0 H ARG A 23 83.773 0.359 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 23 85.514 2.000 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 23 84.469 -0.852 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 23 85.638 -0.165 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 23 87.347 -0.171 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 23 86.278 0.269 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.613 -1.962 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.968 -2.473 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 23 88.238 -2.814 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 23 86.477 -0.963 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 23 87.693 -1.195 0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 23 89.765 -3.156 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 23 89.539 -2.426 0.044 1.00 0.00 H new ATOM 329 N GLU A 24 82.491 1.460 -5.185 1.00 0.00 N ATOM 330 CA GLU A 24 81.570 1.881 -6.232 1.00 0.00 C ATOM 331 C GLU A 24 81.526 3.396 -6.276 1.00 0.00 C ATOM 332 O GLU A 24 81.333 4.000 -7.329 1.00 0.00 O ATOM 333 CB GLU A 24 80.161 1.337 -5.983 1.00 0.00 C ATOM 334 CG GLU A 24 79.146 2.183 -6.755 1.00 0.00 C ATOM 335 CD GLU A 24 77.842 1.413 -6.916 1.00 0.00 C ATOM 336 OE1 GLU A 24 77.776 0.291 -6.442 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.925 1.957 -7.509 1.00 0.00 O ATOM 0 H GLU A 24 82.066 0.959 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 24 81.924 1.485 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 24 80.100 0.296 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.934 1.359 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.963 3.118 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 79.547 2.444 -7.734 1.00 0.00 H new ATOM 344 N ALA A 25 81.723 3.991 -5.115 1.00 0.00 N ATOM 345 CA ALA A 25 81.718 5.442 -4.988 1.00 0.00 C ATOM 346 C ALA A 25 82.958 6.041 -5.641 1.00 0.00 C ATOM 347 O ALA A 25 82.871 7.043 -6.351 1.00 0.00 O ATOM 348 CB ALA A 25 81.677 5.838 -3.512 1.00 0.00 C ATOM 0 H ALA A 25 81.889 3.492 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 25 80.832 5.828 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 25 81.674 6.925 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 25 80.775 5.435 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 82.554 5.437 -3.003 1.00 0.00 H new ATOM 354 N ILE A 26 84.112 5.425 -5.398 1.00 0.00 N ATOM 355 CA ILE A 26 85.354 5.926 -5.976 1.00 0.00 C ATOM 356 C ILE A 26 85.265 5.931 -7.495 1.00 0.00 C ATOM 357 O ILE A 26 85.845 6.789 -8.160 1.00 0.00 O ATOM 358 CB ILE A 26 86.543 5.067 -5.523 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.767 5.963 -5.311 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.876 4.011 -6.584 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.060 6.761 -6.581 1.00 0.00 C ATOM 0 H ILE A 26 84.213 4.594 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 26 85.508 6.947 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 26 86.278 4.567 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.590 6.643 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.632 5.354 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.721 3.411 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 26 86.011 3.366 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 26 87.133 4.505 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 26 88.932 7.395 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.258 6.075 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 26 87.200 7.384 -6.826 1.00 0.00 H new ATOM 373 N ASP A 27 84.532 4.969 -8.041 1.00 0.00 N ATOM 374 CA ASP A 27 84.374 4.871 -9.486 1.00 0.00 C ATOM 375 C ASP A 27 82.976 4.387 -9.850 1.00 0.00 C ATOM 376 O ASP A 27 82.819 3.395 -10.564 1.00 0.00 O ATOM 377 CB ASP A 27 85.414 3.909 -10.061 1.00 0.00 C ATOM 378 CG ASP A 27 85.707 4.265 -11.513 1.00 0.00 C ATOM 379 OD1 ASP A 27 84.765 4.352 -12.284 1.00 0.00 O ATOM 380 OD2 ASP A 27 86.871 4.449 -11.834 1.00 0.00 O ATOM 0 H ASP A 27 84.041 4.250 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 27 84.520 5.864 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 27 86.331 3.958 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.049 2.884 -9.996 1.00 0.00 H new ATOM 385 N LEU A 28 81.961 5.094 -9.365 1.00 0.00 N ATOM 386 CA LEU A 28 80.581 4.722 -9.661 1.00 0.00 C ATOM 387 C LEU A 28 80.271 4.994 -11.129 1.00 0.00 C ATOM 388 O LEU A 28 80.907 5.844 -11.756 1.00 0.00 O ATOM 389 CB LEU A 28 79.596 5.508 -8.785 1.00 0.00 C ATOM 390 CG LEU A 28 80.203 6.847 -8.373 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.613 7.634 -9.619 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.160 7.640 -7.593 1.00 0.00 C ATOM 0 H LEU A 28 82.064 5.918 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 28 80.468 3.659 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.667 5.675 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.345 4.927 -7.898 1.00 0.00 H new ATOM 0 HG LEU A 28 81.083 6.677 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 81.046 8.589 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 28 81.350 7.063 -10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.736 7.812 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.582 8.599 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.286 7.809 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.866 7.080 -6.706 1.00 0.00 H new ATOM 404 N PRO A 29 79.313 4.304 -11.684 1.00 0.00 N ATOM 405 CA PRO A 29 78.917 4.490 -13.107 1.00 0.00 C ATOM 406 C PRO A 29 78.629 5.957 -13.418 1.00 0.00 C ATOM 407 O PRO A 29 78.346 6.747 -12.517 1.00 0.00 O ATOM 408 CB PRO A 29 77.653 3.633 -13.272 1.00 0.00 C ATOM 409 CG PRO A 29 77.254 3.198 -11.897 1.00 0.00 C ATOM 410 CD PRO A 29 78.505 3.273 -11.027 1.00 0.00 C ATOM 0 HA PRO A 29 79.711 4.194 -13.793 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.855 4.205 -13.745 1.00 0.00 H new ATOM 0 HB3 PRO A 29 77.849 2.771 -13.910 1.00 0.00 H new ATOM 0 HG2 PRO A 29 76.469 3.842 -11.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.856 2.184 -11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.264 3.545 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 29 79.027 2.317 -10.990 1.00 0.00 H new ATOM 418 N GLN A 30 78.708 6.316 -14.694 1.00 0.00 N ATOM 419 CA GLN A 30 78.454 7.693 -15.102 1.00 0.00 C ATOM 420 C GLN A 30 77.039 8.117 -14.722 1.00 0.00 C ATOM 421 O GLN A 30 76.610 9.228 -15.033 1.00 0.00 O ATOM 422 CB GLN A 30 78.647 7.835 -16.612 1.00 0.00 C ATOM 423 CG GLN A 30 80.096 8.230 -16.903 1.00 0.00 C ATOM 424 CD GLN A 30 80.361 8.170 -18.403 1.00 0.00 C ATOM 425 OE1 GLN A 30 80.170 7.125 -19.027 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.795 9.232 -19.024 1.00 0.00 N ATOM 0 H GLN A 30 78.943 5.681 -15.457 1.00 0.00 H new ATOM 0 HA GLN A 30 79.162 8.340 -14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 30 78.407 6.896 -17.110 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.966 8.589 -17.008 1.00 0.00 H new ATOM 0 HG2 GLN A 30 80.289 9.236 -16.531 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.777 7.560 -16.378 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.953 10.097 -18.506 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.977 9.198 -20.027 1.00 0.00 H new ATOM 435 N ASP A 31 76.316 7.226 -14.050 1.00 0.00 N ATOM 436 CA ASP A 31 74.951 7.521 -13.635 1.00 0.00 C ATOM 437 C ASP A 31 74.939 8.206 -12.271 1.00 0.00 C ATOM 438 O ASP A 31 73.880 8.402 -11.674 1.00 0.00 O ATOM 439 CB ASP A 31 74.135 6.228 -13.568 1.00 0.00 C ATOM 440 CG ASP A 31 74.208 5.497 -14.905 1.00 0.00 C ATOM 441 OD1 ASP A 31 74.126 6.159 -15.926 1.00 0.00 O ATOM 442 OD2 ASP A 31 74.347 4.285 -14.888 1.00 0.00 O ATOM 0 H ASP A 31 76.651 6.300 -13.783 1.00 0.00 H new ATOM 0 HA ASP A 31 74.506 8.194 -14.368 1.00 0.00 H new ATOM 0 HB2 ASP A 31 74.517 5.588 -12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.097 6.455 -13.324 1.00 0.00 H new ATOM 447 N ALA A 32 76.123 8.572 -11.786 1.00 0.00 N ATOM 448 CA ALA A 32 76.237 9.239 -10.495 1.00 0.00 C ATOM 449 C ALA A 32 77.331 10.297 -10.543 1.00 0.00 C ATOM 450 O ALA A 32 78.394 10.137 -9.944 1.00 0.00 O ATOM 451 CB ALA A 32 76.556 8.218 -9.400 1.00 0.00 C ATOM 0 H ALA A 32 77.010 8.419 -12.265 1.00 0.00 H new ATOM 0 HA ALA A 32 75.286 9.721 -10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.639 8.728 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.758 7.477 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.499 7.721 -9.629 1.00 0.00 H new ATOM 457 N PRO A 33 77.084 11.370 -11.243 1.00 0.00 N ATOM 458 CA PRO A 33 78.059 12.492 -11.387 1.00 0.00 C ATOM 459 C PRO A 33 78.407 13.137 -10.045 1.00 0.00 C ATOM 460 O PRO A 33 78.921 14.255 -10.000 1.00 0.00 O ATOM 461 CB PRO A 33 77.344 13.497 -12.302 1.00 0.00 C ATOM 462 CG PRO A 33 76.227 12.744 -12.947 1.00 0.00 C ATOM 463 CD PRO A 33 75.843 11.626 -11.983 1.00 0.00 C ATOM 0 HA PRO A 33 79.010 12.145 -11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.965 14.344 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 33 78.027 13.898 -13.050 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.377 13.399 -13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.539 12.337 -13.909 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.035 11.930 -11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.502 10.737 -12.514 1.00 0.00 H new ATOM 471 N ASN A 34 78.129 12.427 -8.955 1.00 0.00 N ATOM 472 CA ASN A 34 78.420 12.941 -7.622 1.00 0.00 C ATOM 473 C ASN A 34 79.172 11.899 -6.803 1.00 0.00 C ATOM 474 O ASN A 34 78.693 11.443 -5.767 1.00 0.00 O ATOM 475 CB ASN A 34 77.120 13.314 -6.908 1.00 0.00 C ATOM 476 CG ASN A 34 76.136 12.151 -6.977 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.486 11.021 -6.636 1.00 0.00 O ATOM 478 ND2 ASN A 34 74.920 12.361 -7.401 1.00 0.00 N ATOM 0 H ASN A 34 77.705 11.499 -8.969 1.00 0.00 H new ATOM 0 HA ASN A 34 79.043 13.829 -7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.326 13.566 -5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.683 14.199 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.257 11.588 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.633 13.298 -7.683 1.00 0.00 H new ATOM 485 N ARG A 35 80.355 11.529 -7.280 1.00 0.00 N ATOM 486 CA ARG A 35 81.174 10.539 -6.590 1.00 0.00 C ATOM 487 C ARG A 35 81.383 10.936 -5.130 1.00 0.00 C ATOM 488 O ARG A 35 81.704 10.097 -4.288 1.00 0.00 O ATOM 489 CB ARG A 35 82.534 10.404 -7.283 1.00 0.00 C ATOM 490 CG ARG A 35 82.823 11.655 -8.120 1.00 0.00 C ATOM 491 CD ARG A 35 82.173 11.514 -9.500 1.00 0.00 C ATOM 492 NE ARG A 35 83.132 10.978 -10.457 1.00 0.00 N ATOM 493 CZ ARG A 35 84.215 11.667 -10.803 1.00 0.00 C ATOM 494 NH1 ARG A 35 84.432 12.845 -10.287 1.00 0.00 N ATOM 495 NH2 ARG A 35 85.061 11.164 -11.661 1.00 0.00 N ATOM 0 H ARG A 35 80.767 11.897 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 35 80.653 9.582 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.318 10.265 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.540 9.520 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.437 12.540 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.899 11.793 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.306 10.856 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.812 12.485 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 35 82.970 10.059 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.771 13.238 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 35 85.263 13.373 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.891 10.243 -12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 35 85.892 11.692 -11.927 1.00 0.00 H new ATOM 509 N GLN A 36 81.202 12.221 -4.840 1.00 0.00 N ATOM 510 CA GLN A 36 81.378 12.725 -3.481 1.00 0.00 C ATOM 511 C GLN A 36 80.185 12.364 -2.597 1.00 0.00 C ATOM 512 O GLN A 36 80.355 11.929 -1.459 1.00 0.00 O ATOM 513 CB GLN A 36 81.546 14.245 -3.509 1.00 0.00 C ATOM 514 CG GLN A 36 82.990 14.594 -3.874 1.00 0.00 C ATOM 515 CD GLN A 36 83.324 14.053 -5.260 1.00 0.00 C ATOM 516 OE1 GLN A 36 83.325 14.802 -6.237 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.611 12.788 -5.405 1.00 0.00 N ATOM 0 H GLN A 36 80.935 12.929 -5.524 1.00 0.00 H new ATOM 0 HA GLN A 36 82.271 12.260 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 36 80.861 14.684 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.294 14.667 -2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 36 83.128 15.675 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 36 83.672 14.172 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 36 83.610 12.169 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.837 12.419 -6.329 1.00 0.00 H new ATOM 526 N GLU A 37 78.979 12.560 -3.120 1.00 0.00 N ATOM 527 CA GLU A 37 77.770 12.262 -2.356 1.00 0.00 C ATOM 528 C GLU A 37 77.692 10.780 -2.008 1.00 0.00 C ATOM 529 O GLU A 37 77.610 10.413 -0.833 1.00 0.00 O ATOM 530 CB GLU A 37 76.532 12.668 -3.156 1.00 0.00 C ATOM 531 CG GLU A 37 76.532 14.182 -3.364 1.00 0.00 C ATOM 532 CD GLU A 37 75.407 14.576 -4.315 1.00 0.00 C ATOM 533 OE1 GLU A 37 74.604 13.717 -4.639 1.00 0.00 O ATOM 534 OE2 GLU A 37 75.365 15.732 -4.705 1.00 0.00 O ATOM 0 H GLU A 37 78.812 12.920 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 37 77.808 12.832 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.525 12.158 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.629 12.363 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.405 14.689 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.492 14.502 -3.770 1.00 0.00 H new ATOM 541 N VAL A 38 77.721 9.926 -3.026 1.00 0.00 N ATOM 542 CA VAL A 38 77.656 8.492 -2.783 1.00 0.00 C ATOM 543 C VAL A 38 78.721 8.098 -1.772 1.00 0.00 C ATOM 544 O VAL A 38 78.489 7.249 -0.910 1.00 0.00 O ATOM 545 CB VAL A 38 77.863 7.724 -4.086 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.809 6.220 -3.806 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.760 8.096 -5.080 1.00 0.00 C ATOM 0 H VAL A 38 77.788 10.195 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 38 76.672 8.243 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 38 78.834 7.982 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.957 5.671 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.594 5.953 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.838 5.963 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.908 7.547 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.788 7.839 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.797 9.167 -5.281 1.00 0.00 H new ATOM 557 N GLN A 39 79.887 8.735 -1.868 1.00 0.00 N ATOM 558 CA GLN A 39 80.970 8.451 -0.937 1.00 0.00 C ATOM 559 C GLN A 39 80.514 8.780 0.479 1.00 0.00 C ATOM 560 O GLN A 39 80.849 8.074 1.430 1.00 0.00 O ATOM 561 CB GLN A 39 82.212 9.274 -1.293 1.00 0.00 C ATOM 562 CG GLN A 39 83.341 8.944 -0.314 1.00 0.00 C ATOM 563 CD GLN A 39 83.622 10.149 0.580 1.00 0.00 C ATOM 564 OE1 GLN A 39 84.777 10.538 0.754 1.00 0.00 O ATOM 565 NE2 GLN A 39 82.629 10.764 1.160 1.00 0.00 N ATOM 0 H GLN A 39 80.102 9.441 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 39 81.229 7.394 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.526 9.055 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 39 81.980 10.338 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.065 8.084 0.296 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.242 8.670 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 39 81.673 10.440 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 39 82.808 11.569 1.760 1.00 0.00 H new ATOM 574 N ASP A 40 79.725 9.847 0.607 1.00 0.00 N ATOM 575 CA ASP A 40 79.208 10.240 1.911 1.00 0.00 C ATOM 576 C ASP A 40 78.424 9.079 2.508 1.00 0.00 C ATOM 577 O ASP A 40 78.599 8.728 3.677 1.00 0.00 O ATOM 578 CB ASP A 40 78.300 11.463 1.769 1.00 0.00 C ATOM 579 CG ASP A 40 78.038 12.080 3.140 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.983 12.205 3.902 1.00 0.00 O ATOM 581 OD2 ASP A 40 76.897 12.418 3.406 1.00 0.00 O ATOM 0 H ASP A 40 79.435 10.445 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 40 80.039 10.497 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.766 12.198 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.357 11.174 1.305 1.00 0.00 H new ATOM 586 N THR A 41 77.576 8.470 1.684 1.00 0.00 N ATOM 587 CA THR A 41 76.789 7.332 2.134 1.00 0.00 C ATOM 588 C THR A 41 77.734 6.253 2.643 1.00 0.00 C ATOM 589 O THR A 41 77.485 5.620 3.671 1.00 0.00 O ATOM 590 CB THR A 41 75.948 6.781 0.981 1.00 0.00 C ATOM 591 OG1 THR A 41 75.110 7.811 0.476 1.00 0.00 O ATOM 592 CG2 THR A 41 75.087 5.621 1.482 1.00 0.00 C ATOM 0 H THR A 41 77.419 8.743 0.714 1.00 0.00 H new ATOM 0 HA THR A 41 76.118 7.647 2.933 1.00 0.00 H new ATOM 0 HB THR A 41 76.606 6.425 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.571 7.461 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.489 5.230 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.730 4.831 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.427 5.974 2.275 1.00 0.00 H new ATOM 600 N ALA A 42 78.840 6.071 1.926 1.00 0.00 N ATOM 601 CA ALA A 42 79.836 5.091 2.322 1.00 0.00 C ATOM 602 C ALA A 42 80.390 5.468 3.687 1.00 0.00 C ATOM 603 O ALA A 42 80.646 4.608 4.528 1.00 0.00 O ATOM 604 CB ALA A 42 80.969 5.049 1.295 1.00 0.00 C ATOM 0 H ALA A 42 79.064 6.587 1.075 1.00 0.00 H new ATOM 0 HA ALA A 42 79.374 4.105 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.711 4.311 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.566 4.775 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.439 6.031 1.231 1.00 0.00 H new ATOM 610 N ARG A 43 80.550 6.772 3.904 1.00 0.00 N ATOM 611 CA ARG A 43 81.050 7.263 5.179 1.00 0.00 C ATOM 612 C ARG A 43 80.201 6.687 6.303 1.00 0.00 C ATOM 613 O ARG A 43 80.721 6.221 7.315 1.00 0.00 O ATOM 614 CB ARG A 43 80.987 8.793 5.213 1.00 0.00 C ATOM 615 CG ARG A 43 81.989 9.326 6.238 1.00 0.00 C ATOM 616 CD ARG A 43 81.810 10.838 6.384 1.00 0.00 C ATOM 617 NE ARG A 43 82.525 11.322 7.559 1.00 0.00 N ATOM 618 CZ ARG A 43 82.882 12.597 7.669 1.00 0.00 C ATOM 619 NH1 ARG A 43 82.596 13.438 6.713 1.00 0.00 N ATOM 620 NH2 ARG A 43 83.519 13.007 8.730 1.00 0.00 N ATOM 0 H ARG A 43 80.342 7.498 3.219 1.00 0.00 H new ATOM 0 HA ARG A 43 82.087 6.952 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.211 9.198 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 43 79.980 9.120 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 43 81.838 8.836 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.007 9.098 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.180 11.343 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 43 80.750 11.079 6.470 1.00 0.00 H new ATOM 0 HE ARG A 43 82.755 10.671 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.099 13.116 5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 43 82.870 14.417 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 43 83.744 12.349 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 43 83.793 13.986 8.814 1.00 0.00 H new ATOM 634 N GLY A 44 78.886 6.705 6.103 1.00 0.00 N ATOM 635 CA GLY A 44 77.968 6.162 7.094 1.00 0.00 C ATOM 636 C GLY A 44 78.264 4.685 7.323 1.00 0.00 C ATOM 637 O GLY A 44 78.349 4.223 8.462 1.00 0.00 O ATOM 0 H GLY A 44 78.437 7.087 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.065 6.710 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.939 6.287 6.756 1.00 0.00 H new ATOM 641 N GLN A 45 78.441 3.952 6.226 1.00 0.00 N ATOM 642 CA GLN A 45 78.751 2.529 6.312 1.00 0.00 C ATOM 643 C GLN A 45 80.027 2.330 7.118 1.00 0.00 C ATOM 644 O GLN A 45 80.153 1.367 7.870 1.00 0.00 O ATOM 645 CB GLN A 45 78.933 1.948 4.909 1.00 0.00 C ATOM 646 CG GLN A 45 77.627 2.084 4.123 1.00 0.00 C ATOM 647 CD GLN A 45 77.369 0.818 3.315 1.00 0.00 C ATOM 648 OE1 GLN A 45 76.527 0.001 3.690 1.00 0.00 O ATOM 649 NE2 GLN A 45 78.047 0.602 2.221 1.00 0.00 N ATOM 0 H GLN A 45 78.376 4.317 5.276 1.00 0.00 H new ATOM 0 HA GLN A 45 77.927 2.015 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.737 2.469 4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.223 0.899 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.798 2.263 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.682 2.945 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 45 78.744 1.279 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 45 77.880 -0.244 1.676 1.00 0.00 H new ATOM 658 N ILE A 46 80.968 3.258 6.960 1.00 0.00 N ATOM 659 CA ILE A 46 82.228 3.186 7.687 1.00 0.00 C ATOM 660 C ILE A 46 81.996 3.454 9.164 1.00 0.00 C ATOM 661 O ILE A 46 82.627 2.840 10.021 1.00 0.00 O ATOM 662 CB ILE A 46 83.223 4.205 7.125 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.765 3.704 5.785 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.382 4.384 8.108 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.280 4.890 4.968 1.00 0.00 C ATOM 0 H ILE A 46 80.881 4.062 6.339 1.00 0.00 H new ATOM 0 HA ILE A 46 82.641 2.185 7.568 1.00 0.00 H new ATOM 0 HB ILE A 46 82.719 5.161 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.569 2.987 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.981 3.183 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.090 5.109 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.997 4.742 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.886 3.428 8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.666 4.534 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.465 5.591 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.077 5.392 5.517 1.00 0.00 H new ATOM 677 N ASN A 47 81.078 4.363 9.458 1.00 0.00 N ATOM 678 CA ASN A 47 80.772 4.680 10.842 1.00 0.00 C ATOM 679 C ASN A 47 80.391 3.409 11.583 1.00 0.00 C ATOM 680 O ASN A 47 80.925 3.115 12.652 1.00 0.00 O ATOM 681 CB ASN A 47 79.618 5.685 10.910 1.00 0.00 C ATOM 682 CG ASN A 47 80.124 7.023 11.435 1.00 0.00 C ATOM 683 OD1 ASN A 47 79.603 7.540 12.425 1.00 0.00 O ATOM 684 ND2 ASN A 47 81.113 7.622 10.830 1.00 0.00 N ATOM 0 H ASN A 47 80.540 4.886 8.767 1.00 0.00 H new ATOM 0 HA ASN A 47 81.652 5.122 11.309 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.179 5.815 9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 47 78.831 5.304 11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 47 81.455 8.518 11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 47 81.544 7.194 10.011 1.00 0.00 H new ATOM 691 N ASP A 48 79.469 2.652 11.000 1.00 0.00 N ATOM 692 CA ASP A 48 79.028 1.405 11.607 1.00 0.00 C ATOM 693 C ASP A 48 80.109 0.336 11.483 1.00 0.00 C ATOM 694 O ASP A 48 80.417 -0.363 12.448 1.00 0.00 O ATOM 695 CB ASP A 48 77.744 0.919 10.936 1.00 0.00 C ATOM 696 CG ASP A 48 76.659 1.978 11.079 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.871 3.080 10.603 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.635 1.673 11.666 1.00 0.00 O ATOM 0 H ASP A 48 79.016 2.878 10.115 1.00 0.00 H new ATOM 0 HA ASP A 48 78.835 1.588 12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.928 0.713 9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.416 -0.016 11.391 1.00 0.00 H new ATOM 703 N TYR A 49 80.690 0.219 10.294 1.00 0.00 N ATOM 704 CA TYR A 49 81.739 -0.769 10.078 1.00 0.00 C ATOM 705 C TYR A 49 82.767 -0.660 11.194 1.00 0.00 C ATOM 706 O TYR A 49 83.058 -1.632 11.888 1.00 0.00 O ATOM 707 CB TYR A 49 82.426 -0.513 8.732 1.00 0.00 C ATOM 708 CG TYR A 49 83.280 -1.701 8.338 1.00 0.00 C ATOM 709 CD1 TYR A 49 84.469 -1.978 9.030 1.00 0.00 C ATOM 710 CD2 TYR A 49 82.888 -2.519 7.271 1.00 0.00 C ATOM 711 CE1 TYR A 49 85.259 -3.071 8.654 1.00 0.00 C ATOM 712 CE2 TYR A 49 83.680 -3.613 6.898 1.00 0.00 C ATOM 713 CZ TYR A 49 84.865 -3.887 7.589 1.00 0.00 C ATOM 714 OH TYR A 49 85.644 -4.966 7.219 1.00 0.00 O ATOM 0 H TYR A 49 80.457 0.785 9.478 1.00 0.00 H new ATOM 0 HA TYR A 49 81.299 -1.766 10.074 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.676 -0.326 7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 49 83.045 0.382 8.797 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.775 -1.348 9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 49 81.975 -2.306 6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 49 86.174 -3.284 9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 49 83.375 -4.245 6.077 1.00 0.00 H new ATOM 0 HH TYR A 49 85.667 -5.033 6.242 1.00 0.00 H new ATOM 724 N ILE A 50 83.303 0.542 11.364 1.00 0.00 N ATOM 725 CA ILE A 50 84.292 0.795 12.402 1.00 0.00 C ATOM 726 C ILE A 50 83.617 0.863 13.770 1.00 0.00 C ATOM 727 O ILE A 50 84.256 0.648 14.799 1.00 0.00 O ATOM 728 CB ILE A 50 85.026 2.111 12.101 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.375 1.810 11.439 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.267 2.898 13.394 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.147 1.175 10.066 1.00 0.00 C ATOM 0 H ILE A 50 83.069 1.356 10.796 1.00 0.00 H new ATOM 0 HA ILE A 50 85.014 -0.021 12.417 1.00 0.00 H new ATOM 0 HB ILE A 50 84.408 2.707 11.430 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.952 2.729 11.334 1.00 0.00 H new ATOM 0 HG13 ILE A 50 86.958 1.138 12.069 1.00 0.00 H new ATOM 0 HG21 ILE A 50 85.788 3.827 13.163 1.00 0.00 H new ATOM 0 HG22 ILE A 50 84.311 3.126 13.865 1.00 0.00 H new ATOM 0 HG23 ILE A 50 85.874 2.302 14.075 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.109 0.963 9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.588 0.247 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 50 85.582 1.862 9.437 1.00 0.00 H new ATOM 743 N SER A 51 82.322 1.181 13.775 1.00 0.00 N ATOM 744 CA SER A 51 81.590 1.297 15.038 1.00 0.00 C ATOM 745 C SER A 51 80.337 0.419 15.072 1.00 0.00 C ATOM 746 O SER A 51 79.236 0.904 15.329 1.00 0.00 O ATOM 747 CB SER A 51 81.196 2.755 15.277 1.00 0.00 C ATOM 748 OG SER A 51 79.915 3.000 14.712 1.00 0.00 O ATOM 0 H SER A 51 81.767 1.360 12.938 1.00 0.00 H new ATOM 0 HA SER A 51 82.256 0.950 15.828 1.00 0.00 H new ATOM 0 HB2 SER A 51 81.180 2.968 16.346 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.935 3.420 14.831 1.00 0.00 H new ATOM 0 HG SER A 51 80.016 3.515 13.884 1.00 0.00 H new ATOM 754 N ARG A 52 80.513 -0.876 14.836 1.00 0.00 N ATOM 755 CA ARG A 52 79.388 -1.812 14.870 1.00 0.00 C ATOM 756 C ARG A 52 79.716 -3.078 14.095 1.00 0.00 C ATOM 757 O ARG A 52 79.474 -4.189 14.569 1.00 0.00 O ATOM 758 CB ARG A 52 78.131 -1.163 14.281 1.00 0.00 C ATOM 759 CG ARG A 52 77.241 -2.238 13.651 1.00 0.00 C ATOM 760 CD ARG A 52 75.839 -1.674 13.428 1.00 0.00 C ATOM 761 NE ARG A 52 75.125 -1.572 14.695 1.00 0.00 N ATOM 762 CZ ARG A 52 74.544 -2.634 15.243 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.620 -3.797 14.655 1.00 0.00 N ATOM 764 NH2 ARG A 52 73.899 -2.515 16.370 1.00 0.00 N ATOM 0 H ARG A 52 81.414 -1.302 14.621 1.00 0.00 H new ATOM 0 HA ARG A 52 79.202 -2.073 15.912 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.583 -0.635 15.061 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.410 -0.423 13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.667 -2.568 12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.194 -3.112 14.300 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.905 -0.692 12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.286 -2.316 12.742 1.00 0.00 H new ATOM 0 HE ARG A 52 75.071 -0.670 15.169 1.00 0.00 H new ATOM 0 HH11 ARG A 52 75.126 -3.891 13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 52 74.174 -4.612 15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 52 73.841 -1.607 16.831 1.00 0.00 H new ATOM 0 HH22 ARG A 52 73.453 -3.330 16.791 1.00 0.00 H new ATOM 778 N TYR A 53 80.261 -2.908 12.899 1.00 0.00 N ATOM 779 CA TYR A 53 80.609 -4.049 12.067 1.00 0.00 C ATOM 780 C TYR A 53 82.072 -3.963 11.633 1.00 0.00 C ATOM 781 O TYR A 53 82.380 -3.722 10.465 1.00 0.00 O ATOM 782 CB TYR A 53 79.680 -4.097 10.852 1.00 0.00 C ATOM 783 CG TYR A 53 80.291 -4.955 9.775 1.00 0.00 C ATOM 784 CD1 TYR A 53 80.624 -6.287 10.047 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.518 -4.422 8.504 1.00 0.00 C ATOM 786 CE1 TYR A 53 81.185 -7.086 9.045 1.00 0.00 C ATOM 787 CE2 TYR A 53 81.078 -5.220 7.500 1.00 0.00 C ATOM 788 CZ TYR A 53 81.409 -6.553 7.769 1.00 0.00 C ATOM 789 OH TYR A 53 81.961 -7.340 6.779 1.00 0.00 O ATOM 0 H TYR A 53 80.470 -1.999 12.486 1.00 0.00 H new ATOM 0 HA TYR A 53 80.483 -4.967 12.641 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.709 -4.498 11.141 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.509 -3.089 10.473 1.00 0.00 H new ATOM 0 HD1 TYR A 53 80.448 -6.698 11.030 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.261 -3.394 8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 53 81.445 -8.113 9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 53 81.255 -4.807 6.518 1.00 0.00 H new ATOM 0 HH TYR A 53 81.291 -7.509 6.084 1.00 0.00 H new ATOM 799 N ARG A 54 82.970 -4.158 12.592 1.00 0.00 N ATOM 800 CA ARG A 54 84.401 -4.099 12.316 1.00 0.00 C ATOM 801 C ARG A 54 85.011 -5.496 12.331 1.00 0.00 C ATOM 802 O ARG A 54 85.506 -5.980 11.314 1.00 0.00 O ATOM 803 CB ARG A 54 85.093 -3.229 13.367 1.00 0.00 C ATOM 804 CG ARG A 54 86.498 -2.860 12.888 1.00 0.00 C ATOM 805 CD ARG A 54 87.295 -2.272 14.054 1.00 0.00 C ATOM 806 NE ARG A 54 86.387 -1.754 15.074 1.00 0.00 N ATOM 807 CZ ARG A 54 86.820 -1.464 16.295 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.076 -1.635 16.601 1.00 0.00 N ATOM 809 NH2 ARG A 54 85.988 -1.003 17.189 1.00 0.00 N ATOM 0 H ARG A 54 82.734 -4.358 13.564 1.00 0.00 H new ATOM 0 HA ARG A 54 84.545 -3.665 11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 54 84.510 -2.325 13.546 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.150 -3.764 14.315 1.00 0.00 H new ATOM 0 HG2 ARG A 54 87.004 -3.742 12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 54 86.438 -2.138 12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 54 87.940 -3.037 14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 54 87.944 -1.473 13.695 1.00 0.00 H new ATOM 0 HE ARG A 54 85.403 -1.613 14.844 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.727 -1.992 15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 54 88.407 -1.412 17.540 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.006 -0.866 16.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.320 -0.780 18.127 1.00 0.00 H new ATOM 823 N ARG A 55 84.972 -6.139 13.494 1.00 0.00 N ATOM 824 CA ARG A 55 85.526 -7.480 13.631 1.00 0.00 C ATOM 825 C ARG A 55 84.704 -8.483 12.831 1.00 0.00 C ATOM 826 O ARG A 55 83.756 -9.076 13.346 1.00 0.00 O ATOM 827 CB ARG A 55 85.539 -7.891 15.106 1.00 0.00 C ATOM 828 CG ARG A 55 86.929 -7.642 15.695 1.00 0.00 C ATOM 829 CD ARG A 55 86.871 -7.777 17.218 1.00 0.00 C ATOM 830 NE ARG A 55 86.058 -8.929 17.591 1.00 0.00 N ATOM 831 CZ ARG A 55 86.522 -10.167 17.466 1.00 0.00 C ATOM 832 NH1 ARG A 55 87.726 -10.368 17.003 1.00 0.00 N ATOM 833 NH2 ARG A 55 85.775 -11.183 17.804 1.00 0.00 N ATOM 0 H ARG A 55 84.566 -5.757 14.348 1.00 0.00 H new ATOM 0 HA ARG A 55 86.546 -7.473 13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 55 84.791 -7.323 15.659 1.00 0.00 H new ATOM 0 HB3 ARG A 55 85.275 -8.944 15.203 1.00 0.00 H new ATOM 0 HG2 ARG A 55 87.643 -8.355 15.283 1.00 0.00 H new ATOM 0 HG3 ARG A 55 87.279 -6.647 15.421 1.00 0.00 H new ATOM 0 HD2 ARG A 55 87.878 -7.888 17.619 1.00 0.00 H new ATOM 0 HD3 ARG A 55 86.452 -6.870 17.655 1.00 0.00 H new ATOM 0 HE ARG A 55 85.116 -8.781 17.954 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.309 -9.575 16.738 1.00 0.00 H new ATOM 0 HH12 ARG A 55 88.083 -11.319 16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 55 84.834 -11.026 18.165 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.133 -12.133 17.707 1.00 0.00 H new ATOM 847 N LYS A 56 85.071 -8.670 11.567 1.00 0.00 N ATOM 848 CA LYS A 56 84.358 -9.606 10.705 1.00 0.00 C ATOM 849 C LYS A 56 84.861 -11.029 10.928 1.00 0.00 C ATOM 850 O LYS A 56 84.189 -11.997 10.570 1.00 0.00 O ATOM 851 CB LYS A 56 84.553 -9.218 9.238 1.00 0.00 C ATOM 852 CG LYS A 56 86.048 -9.176 8.912 1.00 0.00 C ATOM 853 CD LYS A 56 86.342 -10.104 7.731 1.00 0.00 C ATOM 854 CE LYS A 56 85.707 -9.529 6.462 1.00 0.00 C ATOM 855 NZ LYS A 56 84.984 -10.610 5.735 1.00 0.00 N ATOM 0 H LYS A 56 85.852 -8.190 11.120 1.00 0.00 H new ATOM 0 HA LYS A 56 83.298 -9.564 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 56 84.050 -9.937 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 56 84.101 -8.245 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 56 86.349 -8.157 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 56 86.629 -9.482 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 56 87.419 -10.210 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.946 -11.100 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.017 -8.725 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.476 -9.097 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 84.552 -10.220 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.654 -11.363 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 84.241 -11.003 6.347 1.00 0.00 H new ATOM 869 N GLY A 57 86.044 -11.147 11.520 1.00 0.00 N ATOM 870 CA GLY A 57 86.627 -12.458 11.785 1.00 0.00 C ATOM 871 C GLY A 57 88.119 -12.462 11.473 1.00 0.00 C ATOM 872 O GLY A 57 88.649 -13.435 10.937 1.00 0.00 O ATOM 0 H GLY A 57 86.615 -10.358 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 86.469 -12.726 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 57 86.123 -13.213 11.182 1.00 0.00 H new ATOM 876 N ASP A 58 88.791 -11.367 11.810 1.00 0.00 N ATOM 877 CA ASP A 58 90.223 -11.253 11.562 1.00 0.00 C ATOM 878 C ASP A 58 90.998 -12.249 12.418 1.00 0.00 C ATOM 879 O ASP A 58 90.543 -12.647 13.489 1.00 0.00 O ATOM 880 CB ASP A 58 90.697 -9.832 11.875 1.00 0.00 C ATOM 881 CG ASP A 58 92.207 -9.734 11.687 1.00 0.00 C ATOM 882 OD1 ASP A 58 92.703 -10.286 10.717 1.00 0.00 O ATOM 883 OD2 ASP A 58 92.848 -9.110 12.516 1.00 0.00 O ATOM 0 H ASP A 58 88.370 -10.550 12.253 1.00 0.00 H new ATOM 0 HA ASP A 58 90.408 -11.474 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 58 90.194 -9.119 11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 58 90.432 -9.568 12.899 1.00 0.00 H new ATOM 912 N LEU A 62 92.842 -14.428 6.612 1.00 0.00 N ATOM 913 CA LEU A 62 92.296 -13.911 5.361 1.00 0.00 C ATOM 914 C LEU A 62 92.885 -12.539 5.045 1.00 0.00 C ATOM 915 O LEU A 62 93.271 -11.795 5.948 1.00 0.00 O ATOM 916 CB LEU A 62 90.773 -13.803 5.460 1.00 0.00 C ATOM 917 CG LEU A 62 90.391 -13.171 6.800 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.107 -12.358 6.633 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.163 -14.274 7.836 1.00 0.00 C ATOM 0 HA LEU A 62 92.560 -14.601 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.387 -13.200 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.321 -14.791 5.370 1.00 0.00 H new ATOM 0 HG LEU A 62 91.195 -12.516 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.835 -11.908 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.267 -11.573 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.303 -13.013 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 62 89.891 -13.825 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 62 89.358 -14.928 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.077 -14.855 7.956 1.00 0.00 H new ATOM 931 N LYS A 63 92.952 -12.210 3.759 1.00 0.00 N ATOM 932 CA LYS A 63 93.496 -10.925 3.334 1.00 0.00 C ATOM 933 C LYS A 63 92.373 -9.939 3.028 1.00 0.00 C ATOM 934 O LYS A 63 92.625 -8.805 2.621 1.00 0.00 O ATOM 935 CB LYS A 63 94.365 -11.111 2.088 1.00 0.00 C ATOM 936 CG LYS A 63 95.762 -10.542 2.345 1.00 0.00 C ATOM 937 CD LYS A 63 96.673 -10.876 1.162 1.00 0.00 C ATOM 938 CE LYS A 63 98.050 -10.244 1.380 1.00 0.00 C ATOM 939 NZ LYS A 63 98.056 -9.495 2.668 1.00 0.00 N ATOM 0 H LYS A 63 92.638 -12.811 2.997 1.00 0.00 H new ATOM 0 HA LYS A 63 94.104 -10.525 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.433 -12.169 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 63 93.908 -10.608 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.707 -9.462 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 96.173 -10.960 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.770 -11.957 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.234 -10.505 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 63 98.818 -11.017 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.288 -9.572 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 98.997 -9.080 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 97.345 -8.737 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 97.831 -10.145 3.448 1.00 0.00 H new ATOM 953 N SER A 64 91.135 -10.380 3.225 1.00 0.00 N ATOM 954 CA SER A 64 89.980 -9.527 2.967 1.00 0.00 C ATOM 955 C SER A 64 89.922 -8.388 3.977 1.00 0.00 C ATOM 956 O SER A 64 89.719 -7.229 3.612 1.00 0.00 O ATOM 957 CB SER A 64 88.695 -10.349 3.052 1.00 0.00 C ATOM 958 OG SER A 64 88.491 -11.032 1.821 1.00 0.00 O ATOM 0 H SER A 64 90.906 -11.316 3.560 1.00 0.00 H new ATOM 0 HA SER A 64 90.078 -9.108 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.761 -11.065 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 64 87.847 -9.698 3.265 1.00 0.00 H new ATOM 0 HG SER A 64 87.668 -11.562 1.873 1.00 0.00 H new ATOM 964 N PHE A 65 90.099 -8.725 5.250 1.00 0.00 N ATOM 965 CA PHE A 65 90.062 -7.723 6.308 1.00 0.00 C ATOM 966 C PHE A 65 91.202 -6.724 6.142 1.00 0.00 C ATOM 967 O PHE A 65 91.032 -5.527 6.376 1.00 0.00 O ATOM 968 CB PHE A 65 90.171 -8.404 7.673 1.00 0.00 C ATOM 969 CG PHE A 65 91.277 -7.760 8.472 1.00 0.00 C ATOM 970 CD1 PHE A 65 91.010 -6.629 9.255 1.00 0.00 C ATOM 971 CD2 PHE A 65 92.571 -8.295 8.435 1.00 0.00 C ATOM 972 CE1 PHE A 65 92.038 -6.033 9.998 1.00 0.00 C ATOM 973 CE2 PHE A 65 93.597 -7.699 9.177 1.00 0.00 C ATOM 974 CZ PHE A 65 93.329 -6.569 9.959 1.00 0.00 C ATOM 0 H PHE A 65 90.268 -9.678 5.572 1.00 0.00 H new ATOM 0 HA PHE A 65 89.115 -7.187 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 65 89.225 -8.321 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.373 -9.468 7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 65 90.012 -6.217 9.286 1.00 0.00 H new ATOM 0 HD2 PHE A 65 92.777 -9.168 7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 65 91.833 -5.160 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 65 94.595 -8.111 9.146 1.00 0.00 H new ATOM 0 HZ PHE A 65 94.121 -6.111 10.533 1.00 0.00 H new ATOM 984 N THR A 66 92.368 -7.223 5.740 1.00 0.00 N ATOM 985 CA THR A 66 93.530 -6.363 5.551 1.00 0.00 C ATOM 986 C THR A 66 93.235 -5.273 4.528 1.00 0.00 C ATOM 987 O THR A 66 93.532 -4.100 4.755 1.00 0.00 O ATOM 988 CB THR A 66 94.732 -7.191 5.087 1.00 0.00 C ATOM 989 OG1 THR A 66 94.924 -8.284 5.975 1.00 0.00 O ATOM 990 CG2 THR A 66 95.985 -6.313 5.075 1.00 0.00 C ATOM 0 H THR A 66 92.532 -8.210 5.541 1.00 0.00 H new ATOM 0 HA THR A 66 93.763 -5.893 6.507 1.00 0.00 H new ATOM 0 HB THR A 66 94.547 -7.569 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.404 -8.137 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.840 -6.903 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.836 -5.476 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 66 96.173 -5.933 6.079 1.00 0.00 H new ATOM 998 N THR A 67 92.643 -5.658 3.401 1.00 0.00 N ATOM 999 CA THR A 67 92.313 -4.695 2.367 1.00 0.00 C ATOM 1000 C THR A 67 91.232 -3.749 2.862 1.00 0.00 C ATOM 1001 O THR A 67 91.285 -2.550 2.610 1.00 0.00 O ATOM 1002 CB THR A 67 91.816 -5.417 1.122 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.731 -6.811 1.384 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.778 -5.169 -0.040 1.00 0.00 C ATOM 0 H THR A 67 92.386 -6.621 3.186 1.00 0.00 H new ATOM 0 HA THR A 67 93.209 -4.125 2.123 1.00 0.00 H new ATOM 0 HB THR A 67 90.830 -5.038 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 67 90.997 -6.982 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.417 -5.688 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 67 92.835 -4.100 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.768 -5.542 0.221 1.00 0.00 H new ATOM 1012 N MET A 68 90.253 -4.295 3.571 1.00 0.00 N ATOM 1013 CA MET A 68 89.169 -3.477 4.096 1.00 0.00 C ATOM 1014 C MET A 68 89.745 -2.284 4.848 1.00 0.00 C ATOM 1015 O MET A 68 89.241 -1.166 4.739 1.00 0.00 O ATOM 1016 CB MET A 68 88.293 -4.310 5.034 1.00 0.00 C ATOM 1017 CG MET A 68 87.213 -5.028 4.221 1.00 0.00 C ATOM 1018 SD MET A 68 85.722 -4.003 4.163 1.00 0.00 S ATOM 1019 CE MET A 68 84.618 -5.250 3.457 1.00 0.00 C ATOM 0 H MET A 68 90.187 -5.288 3.794 1.00 0.00 H new ATOM 0 HA MET A 68 88.558 -3.118 3.268 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.904 -5.037 5.569 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.832 -3.668 5.784 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.573 -5.223 3.211 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.986 -5.994 4.671 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.782 -4.757 2.961 1.00 0.00 H new ATOM 0 HE2 MET A 68 85.166 -5.852 2.732 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.240 -5.893 4.252 1.00 0.00 H new ATOM 1029 N GLN A 69 90.815 -2.529 5.598 1.00 0.00 N ATOM 1030 CA GLN A 69 91.464 -1.464 6.351 1.00 0.00 C ATOM 1031 C GLN A 69 92.325 -0.614 5.425 1.00 0.00 C ATOM 1032 O GLN A 69 92.538 0.574 5.673 1.00 0.00 O ATOM 1033 CB GLN A 69 92.334 -2.063 7.458 1.00 0.00 C ATOM 1034 CG GLN A 69 91.453 -2.859 8.422 1.00 0.00 C ATOM 1035 CD GLN A 69 91.013 -1.969 9.579 1.00 0.00 C ATOM 1036 OE1 GLN A 69 90.501 -0.871 9.359 1.00 0.00 O ATOM 1037 NE2 GLN A 69 91.184 -2.378 10.806 1.00 0.00 N ATOM 0 H GLN A 69 91.247 -3.447 5.700 1.00 0.00 H new ATOM 0 HA GLN A 69 90.696 -0.834 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 69 93.097 -2.711 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.856 -1.271 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 69 90.580 -3.245 7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.002 -3.720 8.803 1.00 0.00 H new ATOM 0 HE21 GLN A 69 91.608 -3.288 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 69 90.893 -1.788 11.585 1.00 0.00 H new ATOM 1046 N THR A 70 92.814 -1.229 4.350 1.00 0.00 N ATOM 1047 CA THR A 70 93.647 -0.515 3.391 1.00 0.00 C ATOM 1048 C THR A 70 92.815 0.505 2.623 1.00 0.00 C ATOM 1049 O THR A 70 93.189 1.674 2.525 1.00 0.00 O ATOM 1050 CB THR A 70 94.285 -1.504 2.413 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.671 -2.677 3.114 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.516 -0.865 1.768 1.00 0.00 C ATOM 0 H THR A 70 92.649 -2.210 4.124 1.00 0.00 H new ATOM 0 HA THR A 70 94.433 0.009 3.935 1.00 0.00 H new ATOM 0 HB THR A 70 93.565 -1.764 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.880 -3.091 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 70 95.969 -1.570 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.219 0.035 1.230 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.238 -0.604 2.542 1.00 0.00 H new ATOM 1060 N ALA A 71 91.679 0.063 2.087 1.00 0.00 N ATOM 1061 CA ALA A 71 90.809 0.965 1.344 1.00 0.00 C ATOM 1062 C ALA A 71 90.238 2.024 2.281 1.00 0.00 C ATOM 1063 O ALA A 71 90.063 3.177 1.892 1.00 0.00 O ATOM 1064 CB ALA A 71 89.670 0.186 0.687 1.00 0.00 C ATOM 0 H ALA A 71 91.345 -0.899 2.153 1.00 0.00 H new ATOM 0 HA ALA A 71 91.395 1.452 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.029 0.874 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.083 -0.553 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.084 -0.319 1.455 1.00 0.00 H new ATOM 1070 N LEU A 72 89.960 1.629 3.521 1.00 0.00 N ATOM 1071 CA LEU A 72 89.425 2.569 4.501 1.00 0.00 C ATOM 1072 C LEU A 72 90.344 3.779 4.605 1.00 0.00 C ATOM 1073 O LEU A 72 89.904 4.922 4.471 1.00 0.00 O ATOM 1074 CB LEU A 72 89.312 1.893 5.869 1.00 0.00 C ATOM 1075 CG LEU A 72 87.885 2.039 6.400 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.517 3.522 6.476 1.00 0.00 C ATOM 1077 CD2 LEU A 72 86.914 1.321 5.459 1.00 0.00 C ATOM 0 H LEU A 72 90.094 0.679 3.867 1.00 0.00 H new ATOM 0 HA LEU A 72 88.435 2.891 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 89.574 0.838 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.018 2.343 6.567 1.00 0.00 H new ATOM 0 HG LEU A 72 87.822 1.597 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.500 3.626 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.207 4.034 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.581 3.964 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 72 85.897 1.425 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.978 1.762 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 72 87.175 0.264 5.405 1.00 0.00 H new ATOM 1089 N ASN A 73 91.627 3.516 4.831 1.00 0.00 N ATOM 1090 CA ASN A 73 92.609 4.589 4.941 1.00 0.00 C ATOM 1091 C ASN A 73 92.749 5.323 3.609 1.00 0.00 C ATOM 1092 O ASN A 73 93.022 6.523 3.577 1.00 0.00 O ATOM 1093 CB ASN A 73 93.966 4.015 5.354 1.00 0.00 C ATOM 1094 CG ASN A 73 93.953 3.652 6.836 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.892 3.975 7.562 1.00 0.00 O ATOM 1096 ND2 ASN A 73 92.939 2.994 7.328 1.00 0.00 N ATOM 0 H ASN A 73 92.009 2.577 4.941 1.00 0.00 H new ATOM 0 HA ASN A 73 92.268 5.294 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.193 3.131 4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.753 4.743 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 73 92.924 2.746 8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.162 2.728 6.723 1.00 0.00 H new ATOM 1103 N SER A 74 92.559 4.594 2.513 1.00 0.00 N ATOM 1104 CA SER A 74 92.669 5.187 1.184 1.00 0.00 C ATOM 1105 C SER A 74 91.581 6.236 0.972 1.00 0.00 C ATOM 1106 O SER A 74 91.873 7.403 0.703 1.00 0.00 O ATOM 1107 CB SER A 74 92.548 4.102 0.115 1.00 0.00 C ATOM 1108 OG SER A 74 93.209 4.531 -1.067 1.00 0.00 O ATOM 0 H SER A 74 92.330 3.600 2.518 1.00 0.00 H new ATOM 0 HA SER A 74 93.643 5.669 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.988 3.171 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.498 3.898 -0.095 1.00 0.00 H new ATOM 0 HG SER A 74 92.627 5.143 -1.563 1.00 0.00 H new ATOM 1114 N LEU A 75 90.326 5.816 1.103 1.00 0.00 N ATOM 1115 CA LEU A 75 89.212 6.738 0.929 1.00 0.00 C ATOM 1116 C LEU A 75 89.455 7.991 1.746 1.00 0.00 C ATOM 1117 O LEU A 75 89.365 9.113 1.246 1.00 0.00 O ATOM 1118 CB LEU A 75 87.908 6.093 1.397 1.00 0.00 C ATOM 1119 CG LEU A 75 87.604 4.883 0.528 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.017 3.763 1.388 1.00 0.00 C ATOM 1121 CD2 LEU A 75 86.601 5.267 -0.566 1.00 0.00 C ATOM 0 H LEU A 75 90.059 4.857 1.326 1.00 0.00 H new ATOM 0 HA LEU A 75 89.133 6.988 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.992 5.793 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.091 6.812 1.337 1.00 0.00 H new ATOM 0 HG LEU A 75 88.528 4.537 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.801 2.898 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.735 3.482 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.097 4.110 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.387 4.396 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.678 5.620 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.024 6.058 -1.186 1.00 0.00 H new ATOM 1133 N ALA A 76 89.763 7.780 3.018 1.00 0.00 N ATOM 1134 CA ALA A 76 90.024 8.888 3.930 1.00 0.00 C ATOM 1135 C ALA A 76 90.961 9.901 3.284 1.00 0.00 C ATOM 1136 O ALA A 76 90.679 11.099 3.267 1.00 0.00 O ATOM 1137 CB ALA A 76 90.648 8.366 5.225 1.00 0.00 C ATOM 0 H ALA A 76 89.838 6.855 3.442 1.00 0.00 H new ATOM 0 HA ALA A 76 89.077 9.377 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 76 90.839 9.201 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.964 7.664 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.587 7.860 4.999 1.00 0.00 H new ATOM 1143 N GLY A 77 92.076 9.411 2.754 1.00 0.00 N ATOM 1144 CA GLY A 77 93.048 10.284 2.108 1.00 0.00 C ATOM 1145 C GLY A 77 92.379 11.139 1.036 1.00 0.00 C ATOM 1146 O GLY A 77 92.679 12.326 0.899 1.00 0.00 O ATOM 0 H GLY A 77 92.328 8.423 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.517 10.927 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.840 9.685 1.660 1.00 0.00 H new ATOM 1150 N TYR A 78 91.475 10.529 0.277 1.00 0.00 N ATOM 1151 CA TYR A 78 90.774 11.250 -0.782 1.00 0.00 C ATOM 1152 C TYR A 78 89.844 12.305 -0.191 1.00 0.00 C ATOM 1153 O TYR A 78 89.795 13.437 -0.670 1.00 0.00 O ATOM 1154 CB TYR A 78 89.965 10.273 -1.640 1.00 0.00 C ATOM 1155 CG TYR A 78 88.842 11.013 -2.326 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.090 11.730 -3.503 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.550 10.982 -1.784 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.047 12.415 -4.138 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.508 11.667 -2.420 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.756 12.384 -3.597 1.00 0.00 C ATOM 1161 OH TYR A 78 85.728 13.060 -4.224 1.00 0.00 O ATOM 0 H TYR A 78 91.212 9.548 0.372 1.00 0.00 H new ATOM 0 HA TYR A 78 91.517 11.747 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.611 9.803 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.561 9.475 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.086 11.755 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.358 10.430 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 78 88.238 12.968 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.512 11.642 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 78 86.071 13.506 -5.026 1.00 0.00 H new ATOM 1171 N TYR A 79 89.112 11.926 0.851 1.00 0.00 N ATOM 1172 CA TYR A 79 88.188 12.850 1.498 1.00 0.00 C ATOM 1173 C TYR A 79 88.945 14.032 2.093 1.00 0.00 C ATOM 1174 O TYR A 79 88.535 15.183 1.945 1.00 0.00 O ATOM 1175 CB TYR A 79 87.413 12.129 2.603 1.00 0.00 C ATOM 1176 CG TYR A 79 87.359 13.005 3.832 1.00 0.00 C ATOM 1177 CD1 TYR A 79 86.522 14.128 3.855 1.00 0.00 C ATOM 1178 CD2 TYR A 79 88.144 12.694 4.948 1.00 0.00 C ATOM 1179 CE1 TYR A 79 86.471 14.939 4.993 1.00 0.00 C ATOM 1180 CE2 TYR A 79 88.092 13.505 6.088 1.00 0.00 C ATOM 1181 CZ TYR A 79 87.257 14.628 6.111 1.00 0.00 C ATOM 1182 OH TYR A 79 87.205 15.428 7.234 1.00 0.00 O ATOM 0 H TYR A 79 89.140 10.993 1.263 1.00 0.00 H new ATOM 0 HA TYR A 79 87.489 13.220 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.403 11.898 2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.894 11.180 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 79 85.916 14.367 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 79 88.790 11.829 4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 79 85.826 15.805 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 79 88.696 13.264 6.950 1.00 0.00 H new ATOM 0 HH TYR A 79 87.810 15.072 7.918 1.00 0.00 H new ATOM 1192 N THR A 80 90.052 13.742 2.767 1.00 0.00 N ATOM 1193 CA THR A 80 90.860 14.789 3.380 1.00 0.00 C ATOM 1194 C THR A 80 91.601 15.584 2.309 1.00 0.00 C ATOM 1195 O THR A 80 92.726 16.038 2.523 1.00 0.00 O ATOM 1196 CB THR A 80 91.867 14.171 4.353 1.00 0.00 C ATOM 1197 OG1 THR A 80 91.526 12.811 4.580 1.00 0.00 O ATOM 1198 CG2 THR A 80 91.839 14.937 5.676 1.00 0.00 C ATOM 0 H THR A 80 90.409 12.796 2.902 1.00 0.00 H new ATOM 0 HA THR A 80 90.199 15.463 3.926 1.00 0.00 H new ATOM 0 HB THR A 80 92.869 14.229 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.789 12.274 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 80 92.557 14.495 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 80 92.101 15.980 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 80 90.839 14.882 6.107 1.00 0.00 H new ATOM 1206 N SER A 81 90.961 15.747 1.155 1.00 0.00 N ATOM 1207 CA SER A 81 91.568 16.487 0.054 1.00 0.00 C ATOM 1208 C SER A 81 90.503 17.249 -0.728 1.00 0.00 C ATOM 1209 O SER A 81 90.788 18.276 -1.345 1.00 0.00 O ATOM 1210 CB SER A 81 92.297 15.521 -0.879 1.00 0.00 C ATOM 1211 OG SER A 81 93.286 16.234 -1.611 1.00 0.00 O ATOM 0 H SER A 81 90.030 15.380 0.959 1.00 0.00 H new ATOM 0 HA SER A 81 92.280 17.202 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 81 92.761 14.720 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 81 91.589 15.053 -1.563 1.00 0.00 H new ATOM 0 HG SER A 81 93.757 15.618 -2.210 1.00 0.00 H new ATOM 1217 N TYR A 82 89.276 16.741 -0.700 1.00 0.00 N ATOM 1218 CA TYR A 82 88.176 17.381 -1.410 1.00 0.00 C ATOM 1219 C TYR A 82 88.475 17.459 -2.904 1.00 0.00 C ATOM 1220 O TYR A 82 87.948 18.321 -3.608 1.00 0.00 O ATOM 1221 CB TYR A 82 87.948 18.789 -0.858 1.00 0.00 C ATOM 1222 CG TYR A 82 86.490 19.152 -0.994 1.00 0.00 C ATOM 1223 CD1 TYR A 82 85.576 18.750 -0.014 1.00 0.00 C ATOM 1224 CD2 TYR A 82 86.051 19.888 -2.100 1.00 0.00 C ATOM 1225 CE1 TYR A 82 84.222 19.085 -0.139 1.00 0.00 C ATOM 1226 CE2 TYR A 82 84.699 20.224 -2.226 1.00 0.00 C ATOM 1227 CZ TYR A 82 83.784 19.823 -1.246 1.00 0.00 C ATOM 1228 OH TYR A 82 82.450 20.154 -1.371 1.00 0.00 O ATOM 0 H TYR A 82 89.019 15.892 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 82 87.276 16.783 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 82 88.249 18.834 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 82 88.565 19.507 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 82 85.915 18.181 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 82 86.757 20.197 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 82 83.516 18.775 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.361 20.793 -3.080 1.00 0.00 H new ATOM 0 HH TYR A 82 82.316 20.668 -2.195 1.00 0.00 H new ATOM 1238 N GLY A 83 89.322 16.553 -3.383 1.00 0.00 N ATOM 1239 CA GLY A 83 89.683 16.528 -4.797 1.00 0.00 C ATOM 1240 C GLY A 83 88.449 16.334 -5.671 1.00 0.00 C ATOM 1241 O GLY A 83 87.336 16.192 -5.167 1.00 0.00 O ATOM 0 H GLY A 83 89.769 15.831 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.181 17.460 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.394 15.722 -4.981 1.00 0.00 H new ATOM 1245 N ALA A 84 88.655 16.329 -6.985 1.00 0.00 N ATOM 1246 CA ALA A 84 87.555 16.151 -7.919 1.00 0.00 C ATOM 1247 C ALA A 84 87.821 14.964 -8.832 1.00 0.00 C ATOM 1248 O ALA A 84 88.137 13.867 -8.374 1.00 0.00 O ATOM 1249 CB ALA A 84 87.368 17.427 -8.747 1.00 0.00 C ATOM 0 H ALA A 84 89.569 16.446 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 84 86.642 15.954 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.543 17.290 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 84 87.146 18.262 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 84 88.282 17.638 -9.302 1.00 0.00 H new ATOM 1255 N ARG A 85 87.680 15.196 -10.120 1.00 0.00 N ATOM 1256 CA ARG A 85 87.893 14.150 -11.115 1.00 0.00 C ATOM 1257 C ARG A 85 89.288 13.540 -10.986 1.00 0.00 C ATOM 1258 O ARG A 85 89.449 12.321 -11.052 1.00 0.00 O ATOM 1259 CB ARG A 85 87.713 14.724 -12.522 1.00 0.00 C ATOM 1260 CG ARG A 85 86.698 13.876 -13.291 1.00 0.00 C ATOM 1261 CD ARG A 85 86.564 14.410 -14.716 1.00 0.00 C ATOM 1262 NE ARG A 85 87.877 14.524 -15.338 1.00 0.00 N ATOM 1263 CZ ARG A 85 88.014 14.983 -16.579 1.00 0.00 C ATOM 1264 NH1 ARG A 85 86.960 15.340 -17.261 1.00 0.00 N ATOM 1265 NH2 ARG A 85 89.200 15.079 -17.112 1.00 0.00 N ATOM 0 H ARG A 85 87.418 16.101 -10.510 1.00 0.00 H new ATOM 0 HA ARG A 85 87.157 13.365 -10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 85 87.371 15.757 -12.464 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.668 14.734 -13.048 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.019 12.834 -13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.731 13.903 -12.789 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.932 13.744 -15.304 1.00 0.00 H new ATOM 0 HD3 ARG A 85 86.075 15.384 -14.702 1.00 0.00 H new ATOM 0 HE ARG A 85 88.706 14.247 -14.812 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.033 15.267 -16.842 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.064 15.692 -18.213 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.023 14.802 -16.577 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.304 15.431 -18.064 1.00 0.00 H new ATOM 1279 N PRO A 86 90.290 14.360 -10.810 1.00 0.00 N ATOM 1280 CA PRO A 86 91.702 13.894 -10.677 1.00 0.00 C ATOM 1281 C PRO A 86 91.942 13.147 -9.367 1.00 0.00 C ATOM 1282 O PRO A 86 91.834 13.723 -8.285 1.00 0.00 O ATOM 1283 CB PRO A 86 92.536 15.185 -10.728 1.00 0.00 C ATOM 1284 CG PRO A 86 91.594 16.286 -11.102 1.00 0.00 C ATOM 1285 CD PRO A 86 90.194 15.817 -10.719 1.00 0.00 C ATOM 0 HA PRO A 86 91.965 13.186 -11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 86 93.002 15.384 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.341 15.098 -11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 86 91.849 17.208 -10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 86 91.652 16.499 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 86 89.923 16.140 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 86 89.438 16.213 -11.397 1.00 0.00 H new ATOM 1293 N ILE A 87 92.269 11.862 -9.475 1.00 0.00 N ATOM 1294 CA ILE A 87 92.525 11.046 -8.293 1.00 0.00 C ATOM 1295 C ILE A 87 94.001 10.626 -8.236 1.00 0.00 C ATOM 1296 O ILE A 87 94.461 9.883 -9.102 1.00 0.00 O ATOM 1297 CB ILE A 87 91.650 9.792 -8.332 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.190 10.196 -8.545 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.779 9.039 -7.006 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.345 8.939 -8.755 1.00 0.00 C ATOM 0 H ILE A 87 92.362 11.367 -10.362 1.00 0.00 H new ATOM 0 HA ILE A 87 92.288 11.637 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 87 91.974 9.149 -9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.825 10.754 -7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.105 10.854 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.156 8.145 -7.033 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.819 8.752 -6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.454 9.683 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.303 9.222 -8.907 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.706 8.400 -9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.422 8.298 -7.877 1.00 0.00 H new ATOM 1312 N PRO A 88 94.750 11.071 -7.250 1.00 0.00 N ATOM 1313 CA PRO A 88 96.191 10.706 -7.124 1.00 0.00 C ATOM 1314 C PRO A 88 96.432 9.212 -7.339 1.00 0.00 C ATOM 1315 O PRO A 88 95.760 8.373 -6.739 1.00 0.00 O ATOM 1316 CB PRO A 88 96.546 11.113 -5.694 1.00 0.00 C ATOM 1317 CG PRO A 88 95.593 12.206 -5.342 1.00 0.00 C ATOM 1318 CD PRO A 88 94.321 11.964 -6.156 1.00 0.00 C ATOM 0 HA PRO A 88 96.803 11.201 -7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.446 10.270 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.578 11.456 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.375 12.200 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.021 13.181 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.542 11.503 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.913 12.898 -6.542 1.00 0.00 H new ATOM 1326 N GLU A 89 97.399 8.892 -8.193 1.00 0.00 N ATOM 1327 CA GLU A 89 97.729 7.503 -8.481 1.00 0.00 C ATOM 1328 C GLU A 89 97.735 6.683 -7.198 1.00 0.00 C ATOM 1329 O GLU A 89 97.635 5.461 -7.231 1.00 0.00 O ATOM 1330 CB GLU A 89 99.109 7.423 -9.138 1.00 0.00 C ATOM 1331 CG GLU A 89 99.039 8.002 -10.552 1.00 0.00 C ATOM 1332 CD GLU A 89 100.295 7.625 -11.331 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.283 7.297 -10.698 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.247 7.669 -12.549 1.00 0.00 O ATOM 0 H GLU A 89 97.966 9.575 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 89 96.976 7.101 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.838 7.974 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.446 6.387 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.155 7.624 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.941 9.087 -10.506 1.00 0.00 H new ATOM 1341 N LYS A 90 97.852 7.364 -6.069 1.00 0.00 N ATOM 1342 CA LYS A 90 97.866 6.691 -4.783 1.00 0.00 C ATOM 1343 C LYS A 90 96.477 6.191 -4.432 1.00 0.00 C ATOM 1344 O LYS A 90 96.266 4.998 -4.293 1.00 0.00 O ATOM 1345 CB LYS A 90 98.351 7.642 -3.695 1.00 0.00 C ATOM 1346 CG LYS A 90 99.337 8.646 -4.296 1.00 0.00 C ATOM 1347 CD LYS A 90 100.243 9.196 -3.194 1.00 0.00 C ATOM 1348 CE LYS A 90 101.480 8.306 -3.058 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.380 8.523 -4.226 1.00 0.00 N ATOM 0 H LYS A 90 97.938 8.379 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 90 98.546 5.842 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.505 8.168 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.831 7.080 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.937 8.164 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 98.795 9.461 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.541 10.218 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.702 9.232 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.007 8.536 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.183 7.259 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.361 8.314 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.097 7.894 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.311 9.513 -4.538 1.00 0.00 H new ATOM 1363 N LEU A 91 95.533 7.118 -4.303 1.00 0.00 N ATOM 1364 CA LEU A 91 94.165 6.773 -3.974 1.00 0.00 C ATOM 1365 C LEU A 91 93.514 6.087 -5.156 1.00 0.00 C ATOM 1366 O LEU A 91 92.665 5.225 -4.991 1.00 0.00 O ATOM 1367 CB LEU A 91 93.384 8.038 -3.615 1.00 0.00 C ATOM 1368 CG LEU A 91 94.269 8.958 -2.776 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.451 10.153 -2.293 1.00 0.00 C ATOM 1370 CD2 LEU A 91 94.804 8.186 -1.566 1.00 0.00 C ATOM 0 H LEU A 91 95.697 8.117 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 91 94.161 6.096 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.064 8.551 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.482 7.777 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 91 95.103 9.310 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.083 10.809 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.068 10.703 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.616 9.801 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 91 95.436 8.841 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.969 7.834 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.389 7.332 -1.909 1.00 0.00 H new ATOM 1382 N LYS A 92 93.936 6.468 -6.348 1.00 0.00 N ATOM 1383 CA LYS A 92 93.403 5.877 -7.552 1.00 0.00 C ATOM 1384 C LYS A 92 93.882 4.444 -7.665 1.00 0.00 C ATOM 1385 O LYS A 92 93.080 3.535 -7.786 1.00 0.00 O ATOM 1386 CB LYS A 92 93.848 6.668 -8.781 1.00 0.00 C ATOM 1387 CG LYS A 92 92.905 6.367 -9.948 1.00 0.00 C ATOM 1388 CD LYS A 92 93.418 7.057 -11.214 1.00 0.00 C ATOM 1389 CE LYS A 92 93.933 6.004 -12.197 1.00 0.00 C ATOM 1390 NZ LYS A 92 92.835 5.049 -12.521 1.00 0.00 N ATOM 0 H LYS A 92 94.646 7.184 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 92 92.314 5.898 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.843 7.736 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.871 6.402 -9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 92 92.841 5.291 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 92 91.899 6.715 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 92 92.619 7.638 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 92 94.216 7.756 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 92 94.292 6.485 -13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 92 94.779 5.470 -11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 93.163 4.373 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.559 4.533 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 92.015 5.574 -12.888 1.00 0.00 H new ATOM 1404 N LYS A 93 95.196 4.247 -7.616 1.00 0.00 N ATOM 1405 CA LYS A 93 95.752 2.904 -7.712 1.00 0.00 C ATOM 1406 C LYS A 93 95.425 2.098 -6.468 1.00 0.00 C ATOM 1407 O LYS A 93 95.294 0.882 -6.529 1.00 0.00 O ATOM 1408 CB LYS A 93 97.268 2.956 -7.914 1.00 0.00 C ATOM 1409 CG LYS A 93 97.771 1.592 -8.397 1.00 0.00 C ATOM 1410 CD LYS A 93 98.299 1.717 -9.828 1.00 0.00 C ATOM 1411 CE LYS A 93 97.139 2.022 -10.782 1.00 0.00 C ATOM 1412 NZ LYS A 93 97.517 1.620 -12.166 1.00 0.00 N ATOM 0 H LYS A 93 95.887 4.990 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 93 95.301 2.417 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.521 3.727 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.760 3.226 -6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.560 1.230 -7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 93 96.963 0.861 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.045 2.510 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 93 98.794 0.792 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 93 96.244 1.485 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 93 96.900 3.085 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 96.731 1.826 -12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 98.360 2.151 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 97.725 0.601 -12.187 1.00 0.00 H new ATOM 1426 N ARG A 94 95.282 2.777 -5.343 1.00 0.00 N ATOM 1427 CA ARG A 94 94.951 2.082 -4.103 1.00 0.00 C ATOM 1428 C ARG A 94 93.499 1.645 -4.135 1.00 0.00 C ATOM 1429 O ARG A 94 93.207 0.475 -3.947 1.00 0.00 O ATOM 1430 CB ARG A 94 95.182 2.954 -2.867 1.00 0.00 C ATOM 1431 CG ARG A 94 96.677 3.001 -2.538 1.00 0.00 C ATOM 1432 CD ARG A 94 96.955 4.153 -1.570 1.00 0.00 C ATOM 1433 NE ARG A 94 98.295 4.029 -1.009 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.630 4.652 0.116 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.751 5.390 0.740 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.837 4.526 0.598 1.00 0.00 N ATOM 0 H ARG A 94 95.386 3.788 -5.258 1.00 0.00 H new ATOM 0 HA ARG A 94 95.612 1.218 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.808 3.962 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.626 2.554 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.992 2.056 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 94 97.257 3.133 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.858 5.106 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.216 4.150 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 94 98.988 3.454 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 94 96.808 5.488 0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.008 5.868 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.523 3.949 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.094 5.004 1.462 1.00 0.00 H new ATOM 1450 N LEU A 95 92.589 2.584 -4.378 1.00 0.00 N ATOM 1451 CA LEU A 95 91.175 2.236 -4.424 1.00 0.00 C ATOM 1452 C LEU A 95 90.856 1.464 -5.701 1.00 0.00 C ATOM 1453 O LEU A 95 89.902 0.704 -5.727 1.00 0.00 O ATOM 1454 CB LEU A 95 90.277 3.476 -4.325 1.00 0.00 C ATOM 1455 CG LEU A 95 90.167 3.917 -2.852 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.738 5.386 -2.756 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.127 3.047 -2.141 1.00 0.00 C ATOM 0 H LEU A 95 92.799 3.569 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 95 90.969 1.605 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.689 4.285 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.287 3.254 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 95 91.143 3.803 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.667 5.676 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.475 6.014 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.767 5.514 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.046 3.355 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.160 3.163 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.434 2.002 -2.187 1.00 0.00 H new ATOM 1469 N GLN A 96 91.667 1.647 -6.749 1.00 0.00 N ATOM 1470 CA GLN A 96 91.448 0.925 -8.005 1.00 0.00 C ATOM 1471 C GLN A 96 91.986 -0.485 -7.875 1.00 0.00 C ATOM 1472 O GLN A 96 91.333 -1.448 -8.263 1.00 0.00 O ATOM 1473 CB GLN A 96 92.133 1.617 -9.188 1.00 0.00 C ATOM 1474 CG GLN A 96 91.869 0.811 -10.462 1.00 0.00 C ATOM 1475 CD GLN A 96 92.416 1.555 -11.675 1.00 0.00 C ATOM 1476 OE1 GLN A 96 91.871 1.438 -12.773 1.00 0.00 O ATOM 1477 NE2 GLN A 96 93.467 2.316 -11.545 1.00 0.00 N ATOM 0 H GLN A 96 92.468 2.278 -6.753 1.00 0.00 H new ATOM 0 HA GLN A 96 90.375 0.910 -8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.754 2.633 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.205 1.695 -9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.338 -0.170 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.798 0.644 -10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.918 2.412 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 96 93.838 2.815 -12.353 1.00 0.00 H new ATOM 1486 N LEU A 97 93.181 -0.592 -7.309 1.00 0.00 N ATOM 1487 CA LEU A 97 93.808 -1.887 -7.102 1.00 0.00 C ATOM 1488 C LEU A 97 93.070 -2.613 -5.997 1.00 0.00 C ATOM 1489 O LEU A 97 92.898 -3.825 -6.043 1.00 0.00 O ATOM 1490 CB LEU A 97 95.282 -1.730 -6.719 1.00 0.00 C ATOM 1491 CG LEU A 97 95.937 -3.111 -6.651 1.00 0.00 C ATOM 1492 CD1 LEU A 97 95.934 -3.751 -8.042 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.379 -2.964 -6.161 1.00 0.00 C ATOM 0 H LEU A 97 93.733 0.202 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 97 93.759 -2.457 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.795 -1.107 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.368 -1.226 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 97 95.379 -3.744 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.401 -4.735 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.907 -3.855 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.492 -3.120 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.848 -3.947 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.935 -2.330 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.382 -2.510 -5.170 1.00 0.00 H new ATOM 1505 N GLU A 98 92.613 -1.850 -5.008 1.00 0.00 N ATOM 1506 CA GLU A 98 91.857 -2.424 -3.910 1.00 0.00 C ATOM 1507 C GLU A 98 90.453 -2.743 -4.395 1.00 0.00 C ATOM 1508 O GLU A 98 89.874 -3.735 -3.995 1.00 0.00 O ATOM 1509 CB GLU A 98 91.802 -1.476 -2.713 1.00 0.00 C ATOM 1510 CG GLU A 98 93.205 -1.322 -2.120 1.00 0.00 C ATOM 1511 CD GLU A 98 93.351 0.041 -1.449 1.00 0.00 C ATOM 1512 OE1 GLU A 98 92.364 0.752 -1.374 1.00 0.00 O ATOM 1513 OE2 GLU A 98 94.451 0.352 -1.021 1.00 0.00 O ATOM 0 H GLU A 98 92.754 -0.842 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 98 92.354 -3.336 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.418 -0.504 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 98 91.117 -1.864 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 98 93.389 -2.114 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 98 93.953 -1.430 -2.906 1.00 0.00 H new ATOM 1520 N PHE A 99 89.919 -1.891 -5.275 1.00 0.00 N ATOM 1521 CA PHE A 99 88.582 -2.104 -5.832 1.00 0.00 C ATOM 1522 C PHE A 99 88.607 -3.310 -6.741 1.00 0.00 C ATOM 1523 O PHE A 99 87.683 -4.114 -6.748 1.00 0.00 O ATOM 1524 CB PHE A 99 88.130 -0.905 -6.666 1.00 0.00 C ATOM 1525 CG PHE A 99 86.994 -1.315 -7.580 1.00 0.00 C ATOM 1526 CD1 PHE A 99 85.910 -2.052 -7.085 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.031 -0.952 -8.932 1.00 0.00 C ATOM 1528 CE1 PHE A 99 84.867 -2.425 -7.941 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.988 -1.325 -9.787 1.00 0.00 C ATOM 1530 CZ PHE A 99 84.906 -2.061 -9.293 1.00 0.00 C ATOM 0 H PHE A 99 90.390 -1.052 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 99 87.893 -2.247 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.808 -0.095 -6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 99 88.964 -0.525 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 99 85.879 -2.332 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.865 -0.384 -9.315 1.00 0.00 H new ATOM 0 HE1 PHE A 99 84.032 -2.994 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.018 -1.044 -10.829 1.00 0.00 H new ATOM 0 HZ PHE A 99 84.101 -2.348 -9.953 1.00 0.00 H new ATOM 1540 N THR A 100 89.674 -3.420 -7.517 1.00 0.00 N ATOM 1541 CA THR A 100 89.809 -4.537 -8.427 1.00 0.00 C ATOM 1542 C THR A 100 90.217 -5.769 -7.647 1.00 0.00 C ATOM 1543 O THR A 100 89.721 -6.857 -7.886 1.00 0.00 O ATOM 1544 CB THR A 100 90.853 -4.234 -9.494 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.952 -3.559 -8.901 1.00 0.00 O ATOM 1546 CG2 THR A 100 90.238 -3.361 -10.587 1.00 0.00 C ATOM 0 H THR A 100 90.448 -2.756 -7.533 1.00 0.00 H new ATOM 0 HA THR A 100 88.852 -4.712 -8.919 1.00 0.00 H new ATOM 0 HB THR A 100 91.198 -5.168 -9.938 1.00 0.00 H new ATOM 0 HG1 THR A 100 91.793 -2.592 -8.924 1.00 0.00 H new ATOM 0 HG21 THR A 100 90.989 -3.147 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 100 89.399 -3.886 -11.043 1.00 0.00 H new ATOM 0 HG23 THR A 100 89.887 -2.426 -10.151 1.00 0.00 H new ATOM 1554 N GLN A 101 91.112 -5.583 -6.696 1.00 0.00 N ATOM 1555 CA GLN A 101 91.556 -6.696 -5.871 1.00 0.00 C ATOM 1556 C GLN A 101 90.417 -7.128 -4.955 1.00 0.00 C ATOM 1557 O GLN A 101 90.274 -8.297 -4.631 1.00 0.00 O ATOM 1558 CB GLN A 101 92.768 -6.292 -5.032 1.00 0.00 C ATOM 1559 CG GLN A 101 93.223 -7.482 -4.185 1.00 0.00 C ATOM 1560 CD GLN A 101 94.677 -7.818 -4.500 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.948 -8.681 -5.333 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.631 -7.183 -3.877 1.00 0.00 N ATOM 0 H GLN A 101 91.543 -4.685 -6.475 1.00 0.00 H new ATOM 0 HA GLN A 101 91.844 -7.524 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.579 -5.963 -5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.513 -5.450 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.116 -7.248 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.589 -8.346 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.402 -6.468 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.606 -7.402 -4.080 1.00 0.00 H new ATOM 1571 N ALA A 102 89.600 -6.162 -4.559 1.00 0.00 N ATOM 1572 CA ALA A 102 88.457 -6.428 -3.693 1.00 0.00 C ATOM 1573 C ALA A 102 87.329 -7.031 -4.498 1.00 0.00 C ATOM 1574 O ALA A 102 86.760 -8.052 -4.126 1.00 0.00 O ATOM 1575 CB ALA A 102 87.952 -5.135 -3.057 1.00 0.00 C ATOM 0 H ALA A 102 89.707 -5.183 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 102 88.779 -7.119 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.099 -5.354 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.748 -4.687 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.648 -4.439 -3.839 1.00 0.00 H new ATOM 1581 N GLU A 103 87.008 -6.373 -5.598 1.00 0.00 N ATOM 1582 CA GLU A 103 85.929 -6.821 -6.464 1.00 0.00 C ATOM 1583 C GLU A 103 86.291 -8.114 -7.187 1.00 0.00 C ATOM 1584 O GLU A 103 85.497 -9.054 -7.228 1.00 0.00 O ATOM 1585 CB GLU A 103 85.620 -5.730 -7.487 1.00 0.00 C ATOM 1586 CG GLU A 103 84.320 -6.066 -8.217 1.00 0.00 C ATOM 1587 CD GLU A 103 83.132 -5.490 -7.454 1.00 0.00 C ATOM 1588 OE1 GLU A 103 82.988 -5.816 -6.288 1.00 0.00 O ATOM 1589 OE2 GLU A 103 82.383 -4.732 -8.047 1.00 0.00 O ATOM 0 H GLU A 103 87.479 -5.525 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 103 85.053 -7.018 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.530 -4.765 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.439 -5.645 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.345 -5.660 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.214 -7.147 -8.310 1.00 0.00 H new ATOM 1596 N ARG A 104 87.482 -8.153 -7.770 1.00 0.00 N ATOM 1597 CA ARG A 104 87.920 -9.337 -8.509 1.00 0.00 C ATOM 1598 C ARG A 104 88.203 -10.511 -7.573 1.00 0.00 C ATOM 1599 O ARG A 104 87.694 -11.610 -7.786 1.00 0.00 O ATOM 1600 CB ARG A 104 89.178 -9.040 -9.334 1.00 0.00 C ATOM 1601 CG ARG A 104 88.988 -7.755 -10.151 1.00 0.00 C ATOM 1602 CD ARG A 104 88.463 -8.108 -11.543 1.00 0.00 C ATOM 1603 NE ARG A 104 87.899 -6.926 -12.184 1.00 0.00 N ATOM 1604 CZ ARG A 104 87.265 -7.012 -13.350 1.00 0.00 C ATOM 1605 NH1 ARG A 104 87.139 -8.169 -13.939 1.00 0.00 N ATOM 1606 NH2 ARG A 104 86.767 -5.939 -13.904 1.00 0.00 N ATOM 0 H ARG A 104 88.158 -7.389 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 104 87.104 -9.608 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.038 -8.935 -8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 104 89.389 -9.876 -10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 104 88.288 -7.090 -9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.934 -7.220 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 104 89.272 -8.510 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 104 87.704 -8.886 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 104 87.992 -6.017 -11.730 1.00 0.00 H new ATOM 0 HH11 ARG A 104 87.527 -9.007 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 104 86.653 -8.236 -14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 104 86.864 -5.035 -13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 104 86.281 -6.005 -14.798 1.00 0.00 H new ATOM 1620 N SER A 105 89.027 -10.291 -6.547 1.00 0.00 N ATOM 1621 CA SER A 105 89.352 -11.381 -5.627 1.00 0.00 C ATOM 1622 C SER A 105 88.090 -11.953 -4.994 1.00 0.00 C ATOM 1623 O SER A 105 87.897 -13.168 -4.985 1.00 0.00 O ATOM 1624 CB SER A 105 90.312 -10.925 -4.532 1.00 0.00 C ATOM 1625 OG SER A 105 89.599 -10.165 -3.565 1.00 0.00 O ATOM 0 H SER A 105 89.470 -9.397 -6.336 1.00 0.00 H new ATOM 0 HA SER A 105 89.842 -12.158 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 105 90.779 -11.789 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 105 91.114 -10.325 -4.963 1.00 0.00 H new ATOM 0 HG SER A 105 89.919 -9.239 -3.576 1.00 0.00 H new ATOM 1631 N ILE A 106 87.225 -11.089 -4.462 1.00 0.00 N ATOM 1632 CA ILE A 106 85.998 -11.595 -3.841 1.00 0.00 C ATOM 1633 C ILE A 106 85.216 -12.441 -4.840 1.00 0.00 C ATOM 1634 O ILE A 106 84.640 -13.467 -4.479 1.00 0.00 O ATOM 1635 CB ILE A 106 85.108 -10.456 -3.337 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.573 -10.041 -1.934 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.655 -10.946 -3.283 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.717 -8.880 -1.417 1.00 0.00 C ATOM 0 H ILE A 106 87.341 -10.076 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 106 86.291 -12.205 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 106 85.176 -9.599 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 106 85.500 -10.889 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 106 86.622 -9.745 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.013 -10.141 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.336 -11.249 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.583 -11.797 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.055 -8.594 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.813 -8.029 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 106 83.673 -9.190 -1.370 1.00 0.00 H new ATOM 1650 N GLU A 107 85.202 -12.005 -6.094 1.00 0.00 N ATOM 1651 CA GLU A 107 84.489 -12.733 -7.138 1.00 0.00 C ATOM 1652 C GLU A 107 84.996 -14.168 -7.224 1.00 0.00 C ATOM 1653 O GLU A 107 84.287 -15.063 -7.685 1.00 0.00 O ATOM 1654 CB GLU A 107 84.679 -12.038 -8.488 1.00 0.00 C ATOM 1655 CG GLU A 107 83.672 -12.592 -9.498 1.00 0.00 C ATOM 1656 CD GLU A 107 82.335 -11.873 -9.351 1.00 0.00 C ATOM 1657 OE1 GLU A 107 82.269 -10.707 -9.705 1.00 0.00 O ATOM 1658 OE2 GLU A 107 81.395 -12.499 -8.887 1.00 0.00 O ATOM 0 H GLU A 107 85.672 -11.157 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 107 83.428 -12.746 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.543 -10.962 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.695 -12.195 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.053 -12.464 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.538 -13.662 -9.340 1.00 0.00 H new ATOM 1665 N ARG A 108 86.226 -14.380 -6.772 1.00 0.00 N ATOM 1666 CA ARG A 108 86.822 -15.712 -6.800 1.00 0.00 C ATOM 1667 C ARG A 108 86.737 -16.306 -8.202 1.00 0.00 C ATOM 1668 O ARG A 108 87.031 -17.484 -8.405 1.00 0.00 O ATOM 1669 CB ARG A 108 86.099 -16.627 -5.811 1.00 0.00 C ATOM 1670 CG ARG A 108 86.244 -16.065 -4.395 1.00 0.00 C ATOM 1671 CD ARG A 108 87.458 -16.701 -3.716 1.00 0.00 C ATOM 1672 NE ARG A 108 87.217 -18.118 -3.476 1.00 0.00 N ATOM 1673 CZ ARG A 108 88.056 -18.842 -2.741 1.00 0.00 C ATOM 1674 NH1 ARG A 108 89.114 -18.283 -2.219 1.00 0.00 N ATOM 1675 NH2 ARG A 108 87.821 -20.110 -2.542 1.00 0.00 N ATOM 0 H ARG A 108 86.827 -13.653 -6.384 1.00 0.00 H new ATOM 0 HA ARG A 108 87.871 -15.628 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 108 85.045 -16.706 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 108 86.516 -17.633 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.361 -14.982 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 108 85.342 -16.269 -3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.341 -16.576 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.663 -16.195 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 108 86.391 -18.562 -3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 108 89.297 -17.292 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.758 -18.838 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 108 86.994 -20.546 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 108 88.464 -20.666 -1.978 1.00 0.00 H new