USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 531 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 57 GLN : amide:sc= 0.195 K(o=1.3,f=-2.7!) USER MOD Set 1.2: A 58 THR OG1 : rot -170:sc= -1.8! USER MOD Set 1.3: A 61 THR OG1 : rot -33:sc= 2.93 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 145:sc= 0.813! (180deg=-2.24!) USER MOD Set 2.2: A 42 SER OG : rot -47:sc= 2.38 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= -0.927 USER MOD Set 3.2: A 69 MET CE :methyl -175:sc= -1.32 (180deg=-0.518) USER MOD Set 4.1: A 18 THR OG1 : rot -63:sc= 0.999! USER MOD Set 4.2: A 19 CYS SG : rot -53:sc= 1.49 USER MOD Set 4.3: A 21 SER OG : rot -108:sc= 0.398! USER MOD Set 4.4: A 22 CYS SG : rot -93:sc= -1.32! USER MOD Set 5.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 47 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.6!) USER MOD Set 6.1: A 11 THR OG1 : rot -80:sc= 0.985 USER MOD Set 6.2: A 49 THR OG1 : rot 130:sc= 0.272 USER MOD Set 7.1: A 8 ASN : amide:sc= 1.09 K(o=1,f=-4.8!) USER MOD Set 7.2: A 52 TYR OH : rot 60:sc= -0.0567 USER MOD Single : A 9 SER OG : rot 27:sc= 0.133 USER MOD Single : A 17 MET CE :methyl -131:sc= -8.67! (180deg=-12.3!) USER MOD Single : A 20 ASN : amide:sc= 0.0481 K(o=0.048,f=-1.1!) USER MOD Single : A 28 GLN : amide:sc= 1.09 K(o=1.1,f=-0.15) USER MOD Single : A 29 GLN : amide:sc= 0.798 K(o=0.8,f=-2.8!) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0.83 (180deg=0.531) USER MOD Single : A 34 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD Single : A 37 HIS : no HD1:sc= -1.11 K(o=-1.1,f=0.054) USER MOD Single : A 38 HIS : no HD1:sc= -4.11! K(o=-4.1!,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= 0.86 (180deg=0.792) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.566 (180deg=0.566) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.14! C(o=-3.1!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 2.743 -15.322 -0.854 1.00 0.00 N ATOM 82 CA VAL A 7 2.461 -13.901 -0.470 1.00 0.00 C ATOM 83 C VAL A 7 1.423 -13.291 -1.430 1.00 0.00 C ATOM 84 O VAL A 7 1.101 -13.864 -2.452 1.00 0.00 O ATOM 85 CB VAL A 7 3.815 -13.183 -0.585 1.00 0.00 C ATOM 86 CG1 VAL A 7 3.727 -11.813 0.082 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.899 -13.998 0.125 1.00 0.00 C ATOM 0 HA VAL A 7 2.046 -13.812 0.534 1.00 0.00 H new ATOM 0 HB VAL A 7 4.064 -13.073 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.688 -11.306 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.959 -11.217 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.471 -11.936 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.856 -13.483 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.640 -14.109 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.974 -14.983 -0.336 1.00 0.00 H new ATOM 97 N ASN A 8 0.887 -12.143 -1.102 1.00 0.00 N ATOM 98 CA ASN A 8 -0.140 -11.505 -1.984 1.00 0.00 C ATOM 99 C ASN A 8 0.378 -10.183 -2.559 1.00 0.00 C ATOM 100 O ASN A 8 1.396 -9.668 -2.142 1.00 0.00 O ATOM 101 CB ASN A 8 -1.329 -11.242 -1.062 1.00 0.00 C ATOM 102 CG ASN A 8 -2.620 -11.253 -1.876 1.00 0.00 C ATOM 103 OD1 ASN A 8 -3.035 -10.230 -2.376 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.276 -12.365 -2.030 1.00 0.00 N ATOM 0 H ASN A 8 1.117 -11.617 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.396 -12.138 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.372 -12.002 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.210 -10.280 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.140 -12.377 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.926 -13.226 -1.609 1.00 0.00 H new ATOM 111 N SER A 9 -0.333 -9.622 -3.503 1.00 0.00 N ATOM 112 CA SER A 9 0.100 -8.326 -4.105 1.00 0.00 C ATOM 113 C SER A 9 -1.053 -7.327 -4.102 1.00 0.00 C ATOM 114 O SER A 9 -2.151 -7.625 -4.531 1.00 0.00 O ATOM 115 CB SER A 9 0.529 -8.666 -5.534 1.00 0.00 C ATOM 116 OG SER A 9 -0.504 -9.403 -6.181 1.00 0.00 O ATOM 0 H SER A 9 -1.197 -10.007 -3.884 1.00 0.00 H new ATOM 0 HA SER A 9 0.912 -7.864 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.739 -7.751 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.450 -9.248 -5.519 1.00 0.00 H new ATOM 0 HG SER A 9 -1.369 -9.175 -5.780 1.00 0.00 H new ATOM 122 N VAL A 10 -0.810 -6.146 -3.599 1.00 0.00 N ATOM 123 CA VAL A 10 -1.890 -5.121 -3.535 1.00 0.00 C ATOM 124 C VAL A 10 -1.468 -3.833 -4.265 1.00 0.00 C ATOM 125 O VAL A 10 -0.351 -3.354 -4.127 1.00 0.00 O ATOM 126 CB VAL A 10 -2.098 -4.884 -2.022 1.00 0.00 C ATOM 127 CG1 VAL A 10 -1.985 -3.394 -1.674 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.487 -5.386 -1.614 1.00 0.00 C ATOM 0 H VAL A 10 0.092 -5.847 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.809 -5.442 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.323 -5.428 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.136 -3.258 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.995 -3.030 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.743 -2.834 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.635 -5.220 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.249 -4.845 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.567 -6.452 -1.829 1.00 0.00 H new ATOM 138 N THR A 11 -2.368 -3.267 -5.025 1.00 0.00 N ATOM 139 CA THR A 11 -2.063 -2.000 -5.747 1.00 0.00 C ATOM 140 C THR A 11 -3.021 -0.913 -5.259 1.00 0.00 C ATOM 141 O THR A 11 -4.230 -1.056 -5.324 1.00 0.00 O ATOM 142 CB THR A 11 -2.263 -2.311 -7.229 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.157 -3.071 -7.698 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.337 -1.005 -8.011 1.00 0.00 C ATOM 0 H THR A 11 -3.308 -3.632 -5.177 1.00 0.00 H new ATOM 0 HA THR A 11 -1.050 -1.639 -5.572 1.00 0.00 H new ATOM 0 HB THR A 11 -3.186 -2.875 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.405 -2.472 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.480 -1.222 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.174 -0.410 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.410 -0.448 -7.877 1.00 0.00 H new ATOM 152 N ILE A 12 -2.491 0.155 -4.729 1.00 0.00 N ATOM 153 CA ILE A 12 -3.359 1.240 -4.185 1.00 0.00 C ATOM 154 C ILE A 12 -3.284 2.506 -5.046 1.00 0.00 C ATOM 155 O ILE A 12 -2.241 3.131 -5.169 1.00 0.00 O ATOM 156 CB ILE A 12 -2.806 1.526 -2.779 1.00 0.00 C ATOM 157 CG1 ILE A 12 -2.608 0.214 -2.010 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.791 2.412 -2.017 1.00 0.00 C ATOM 159 CD1 ILE A 12 -1.766 0.474 -0.759 1.00 0.00 C ATOM 0 H ILE A 12 -1.488 0.324 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.406 0.939 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.846 2.033 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.575 -0.204 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.115 -0.521 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.401 2.616 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.925 3.351 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.750 1.901 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.626 -0.460 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.794 0.873 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.277 1.194 -0.120 1.00 0.00 H new ATOM 171 N SER A 13 -4.396 2.914 -5.611 1.00 0.00 N ATOM 172 CA SER A 13 -4.402 4.171 -6.424 1.00 0.00 C ATOM 173 C SER A 13 -4.270 5.354 -5.462 1.00 0.00 C ATOM 174 O SER A 13 -5.125 5.578 -4.632 1.00 0.00 O ATOM 175 CB SER A 13 -5.755 4.194 -7.140 1.00 0.00 C ATOM 176 OG SER A 13 -5.614 3.597 -8.424 1.00 0.00 O ATOM 0 H SER A 13 -5.294 2.434 -5.545 1.00 0.00 H new ATOM 0 HA SER A 13 -3.588 4.224 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.499 3.654 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.110 5.220 -7.239 1.00 0.00 H new ATOM 0 HG SER A 13 -6.478 3.608 -8.886 1.00 0.00 H new ATOM 182 N VAL A 14 -3.193 6.083 -5.534 1.00 0.00 N ATOM 183 CA VAL A 14 -2.989 7.216 -4.592 1.00 0.00 C ATOM 184 C VAL A 14 -2.989 8.560 -5.326 1.00 0.00 C ATOM 185 O VAL A 14 -2.298 8.734 -6.303 1.00 0.00 O ATOM 186 CB VAL A 14 -1.617 6.939 -3.966 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.071 8.206 -3.304 1.00 0.00 C ATOM 188 CG2 VAL A 14 -1.748 5.834 -2.915 1.00 0.00 C ATOM 0 H VAL A 14 -2.441 5.942 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.786 7.284 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.929 6.623 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.096 7.995 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.969 8.992 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.758 8.534 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.772 5.637 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.444 6.151 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.121 4.925 -3.387 1.00 0.00 H new ATOM 198 N GLU A 15 -3.745 9.517 -4.853 1.00 0.00 N ATOM 199 CA GLU A 15 -3.768 10.848 -5.525 1.00 0.00 C ATOM 200 C GLU A 15 -3.143 11.938 -4.639 1.00 0.00 C ATOM 201 O GLU A 15 -2.809 13.007 -5.113 1.00 0.00 O ATOM 202 CB GLU A 15 -5.247 11.139 -5.794 1.00 0.00 C ATOM 203 CG GLU A 15 -5.484 11.238 -7.309 1.00 0.00 C ATOM 204 CD GLU A 15 -4.710 12.427 -7.890 1.00 0.00 C ATOM 205 OE1 GLU A 15 -5.001 13.547 -7.510 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.834 12.195 -8.711 1.00 0.00 O ATOM 0 H GLU A 15 -4.345 9.434 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.181 10.841 -6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.867 10.349 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.539 12.070 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.166 10.316 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.549 11.354 -7.511 1.00 0.00 H new ATOM 213 N GLY A 16 -2.965 11.682 -3.363 1.00 0.00 N ATOM 214 CA GLY A 16 -2.356 12.718 -2.467 1.00 0.00 C ATOM 215 C GLY A 16 -0.823 12.757 -2.610 1.00 0.00 C ATOM 216 O GLY A 16 -0.125 13.038 -1.655 1.00 0.00 O ATOM 0 H GLY A 16 -3.214 10.805 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.770 13.697 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.621 12.506 -1.431 1.00 0.00 H new ATOM 220 N MET A 17 -0.285 12.501 -3.782 1.00 0.00 N ATOM 221 CA MET A 17 1.205 12.558 -3.942 1.00 0.00 C ATOM 222 C MET A 17 1.656 14.026 -4.028 1.00 0.00 C ATOM 223 O MET A 17 1.955 14.538 -5.090 1.00 0.00 O ATOM 224 CB MET A 17 1.513 11.826 -5.251 1.00 0.00 C ATOM 225 CG MET A 17 1.268 10.324 -5.085 1.00 0.00 C ATOM 226 SD MET A 17 2.609 9.591 -4.118 1.00 0.00 S ATOM 227 CE MET A 17 1.721 9.511 -2.545 1.00 0.00 C ATOM 0 H MET A 17 -0.806 12.258 -4.624 1.00 0.00 H new ATOM 0 HA MET A 17 1.727 12.100 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.886 12.218 -6.052 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.549 12.003 -5.541 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.313 10.154 -4.588 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.208 9.845 -6.062 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.342 9.932 -1.755 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.795 10.080 -2.621 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.490 8.472 -2.310 1.00 0.00 H new ATOM 237 N THR A 18 1.682 14.706 -2.913 1.00 0.00 N ATOM 238 CA THR A 18 2.090 16.160 -2.902 1.00 0.00 C ATOM 239 C THR A 18 3.442 16.376 -3.590 1.00 0.00 C ATOM 240 O THR A 18 3.673 17.394 -4.210 1.00 0.00 O ATOM 241 CB THR A 18 2.186 16.580 -1.422 1.00 0.00 C ATOM 242 OG1 THR A 18 3.369 16.041 -0.817 1.00 0.00 O ATOM 243 CG2 THR A 18 0.954 16.097 -0.652 1.00 0.00 C ATOM 0 H THR A 18 1.438 14.323 -1.999 1.00 0.00 H new ATOM 0 HA THR A 18 1.359 16.756 -3.448 1.00 0.00 H new ATOM 0 HB THR A 18 2.233 17.668 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.321 15.062 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.035 16.401 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.057 16.536 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.892 15.010 -0.710 1.00 0.00 H new ATOM 251 N CYS A 19 4.334 15.426 -3.477 1.00 0.00 N ATOM 252 CA CYS A 19 5.682 15.547 -4.113 1.00 0.00 C ATOM 253 C CYS A 19 6.492 14.295 -3.782 1.00 0.00 C ATOM 254 O CYS A 19 6.130 13.560 -2.874 1.00 0.00 O ATOM 255 CB CYS A 19 6.340 16.791 -3.496 1.00 0.00 C ATOM 256 SG CYS A 19 6.383 16.644 -1.689 1.00 0.00 S ATOM 0 H CYS A 19 4.184 14.558 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 19 5.623 15.642 -5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.352 16.906 -3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.786 17.685 -3.783 1.00 0.00 H new ATOM 0 HG CYS A 19 5.186 16.398 -1.245 1.00 0.00 H new ATOM 261 N ASN A 20 7.573 14.058 -4.491 1.00 0.00 N ATOM 262 CA ASN A 20 8.433 12.846 -4.228 1.00 0.00 C ATOM 263 C ASN A 20 8.550 12.554 -2.720 1.00 0.00 C ATOM 264 O ASN A 20 8.603 11.412 -2.313 1.00 0.00 O ATOM 265 CB ASN A 20 9.795 13.174 -4.850 1.00 0.00 C ATOM 266 CG ASN A 20 9.609 13.539 -6.325 1.00 0.00 C ATOM 267 OD1 ASN A 20 9.494 14.699 -6.657 1.00 0.00 O ATOM 268 ND2 ASN A 20 9.567 12.602 -7.225 1.00 0.00 N ATOM 0 H ASN A 20 7.903 14.656 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 20 8.003 11.944 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.261 14.002 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.464 12.319 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.438 12.844 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.663 11.625 -6.949 1.00 0.00 H new ATOM 275 N SER A 21 8.540 13.575 -1.885 1.00 0.00 N ATOM 276 CA SER A 21 8.598 13.356 -0.395 1.00 0.00 C ATOM 277 C SER A 21 7.510 12.355 0.067 1.00 0.00 C ATOM 278 O SER A 21 7.589 11.774 1.130 1.00 0.00 O ATOM 279 CB SER A 21 8.313 14.737 0.213 1.00 0.00 C ATOM 280 OG SER A 21 6.895 14.916 0.368 1.00 0.00 O ATOM 0 H SER A 21 8.494 14.553 -2.172 1.00 0.00 H new ATOM 0 HA SER A 21 9.559 12.943 -0.090 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.808 14.829 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.720 15.518 -0.429 1.00 0.00 H new ATOM 0 HG SER A 21 6.573 15.566 -0.291 1.00 0.00 H new ATOM 286 N CYS A 22 6.505 12.155 -0.745 1.00 0.00 N ATOM 287 CA CYS A 22 5.395 11.211 -0.405 1.00 0.00 C ATOM 288 C CYS A 22 5.753 9.809 -0.895 1.00 0.00 C ATOM 289 O CYS A 22 5.283 8.811 -0.383 1.00 0.00 O ATOM 290 CB CYS A 22 4.203 11.775 -1.170 1.00 0.00 C ATOM 291 SG CYS A 22 3.805 13.413 -0.502 1.00 0.00 S ATOM 0 H CYS A 22 6.404 12.616 -1.649 1.00 0.00 H new ATOM 0 HA CYS A 22 5.197 11.126 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.436 11.847 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.345 11.110 -1.076 1.00 0.00 H new ATOM 0 HG CYS A 22 2.896 13.296 0.420 1.00 0.00 H new ATOM 296 N VAL A 23 6.638 9.739 -1.848 1.00 0.00 N ATOM 297 CA VAL A 23 7.101 8.430 -2.361 1.00 0.00 C ATOM 298 C VAL A 23 8.145 7.921 -1.381 1.00 0.00 C ATOM 299 O VAL A 23 8.217 6.745 -1.089 1.00 0.00 O ATOM 300 CB VAL A 23 7.702 8.723 -3.753 1.00 0.00 C ATOM 301 CG1 VAL A 23 9.160 8.250 -3.832 1.00 0.00 C ATOM 302 CG2 VAL A 23 6.889 7.991 -4.822 1.00 0.00 C ATOM 0 H VAL A 23 7.064 10.549 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 23 6.321 7.674 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 23 7.670 9.800 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.560 8.468 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.752 8.770 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.204 7.176 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.312 8.197 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.919 6.918 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.855 8.336 -4.792 1.00 0.00 H new ATOM 312 N TRP A 24 8.930 8.818 -0.831 1.00 0.00 N ATOM 313 CA TRP A 24 9.945 8.376 0.169 1.00 0.00 C ATOM 314 C TRP A 24 9.245 8.056 1.486 1.00 0.00 C ATOM 315 O TRP A 24 9.662 7.194 2.231 1.00 0.00 O ATOM 316 CB TRP A 24 10.922 9.540 0.339 1.00 0.00 C ATOM 317 CG TRP A 24 11.828 9.632 -0.850 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.651 8.653 -1.300 1.00 0.00 C ATOM 319 CD2 TRP A 24 12.017 10.758 -1.743 1.00 0.00 C ATOM 320 NE1 TRP A 24 13.334 9.123 -2.411 1.00 0.00 N ATOM 321 CE2 TRP A 24 12.975 10.416 -2.721 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.452 12.033 -1.786 1.00 0.00 C ATOM 323 CZ2 TRP A 24 13.356 11.317 -3.716 1.00 0.00 C ATOM 324 CZ3 TRP A 24 11.824 12.945 -2.780 1.00 0.00 C ATOM 325 CH2 TRP A 24 12.778 12.590 -3.745 1.00 0.00 C ATOM 0 H TRP A 24 8.911 9.818 -1.029 1.00 0.00 H new ATOM 0 HA TRP A 24 10.474 7.479 -0.153 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.371 10.473 0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.512 9.400 1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.757 7.670 -0.865 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.019 8.578 -2.935 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.720 12.319 -1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 14.090 11.034 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 11.374 13.927 -2.804 1.00 0.00 H new ATOM 0 HH2 TRP A 24 13.065 13.298 -4.508 1.00 0.00 H new ATOM 336 N THR A 25 8.166 8.735 1.763 1.00 0.00 N ATOM 337 CA THR A 25 7.417 8.457 3.038 1.00 0.00 C ATOM 338 C THR A 25 6.512 7.217 2.884 1.00 0.00 C ATOM 339 O THR A 25 6.114 6.607 3.854 1.00 0.00 O ATOM 340 CB THR A 25 6.597 9.728 3.315 1.00 0.00 C ATOM 341 OG1 THR A 25 6.629 10.009 4.703 1.00 0.00 O ATOM 342 CG2 THR A 25 5.143 9.545 2.872 1.00 0.00 C ATOM 0 H THR A 25 7.767 9.465 1.173 1.00 0.00 H new ATOM 0 HA THR A 25 8.089 8.233 3.867 1.00 0.00 H new ATOM 0 HB THR A 25 7.032 10.554 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.109 10.820 4.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.582 10.457 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.112 9.334 1.803 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.698 8.714 3.419 1.00 0.00 H new ATOM 350 N ILE A 26 6.209 6.832 1.670 1.00 0.00 N ATOM 351 CA ILE A 26 5.348 5.626 1.439 1.00 0.00 C ATOM 352 C ILE A 26 6.232 4.427 1.080 1.00 0.00 C ATOM 353 O ILE A 26 5.858 3.285 1.264 1.00 0.00 O ATOM 354 CB ILE A 26 4.422 6.013 0.278 1.00 0.00 C ATOM 355 CG1 ILE A 26 3.269 6.873 0.813 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.856 4.754 -0.385 1.00 0.00 C ATOM 357 CD1 ILE A 26 2.445 6.081 1.834 1.00 0.00 C ATOM 0 H ILE A 26 6.522 7.303 0.821 1.00 0.00 H new ATOM 0 HA ILE A 26 4.772 5.338 2.319 1.00 0.00 H new ATOM 0 HB ILE A 26 4.991 6.578 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.665 7.776 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.631 7.191 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.200 5.039 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.675 4.145 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.289 4.180 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.631 6.703 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.034 5.191 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.084 5.785 2.666 1.00 0.00 H new ATOM 369 N GLU A 27 7.422 4.695 0.623 1.00 0.00 N ATOM 370 CA GLU A 27 8.380 3.607 0.301 1.00 0.00 C ATOM 371 C GLU A 27 8.968 3.148 1.626 1.00 0.00 C ATOM 372 O GLU A 27 9.184 1.971 1.856 1.00 0.00 O ATOM 373 CB GLU A 27 9.433 4.260 -0.614 1.00 0.00 C ATOM 374 CG GLU A 27 10.806 3.590 -0.446 1.00 0.00 C ATOM 375 CD GLU A 27 11.822 4.623 0.052 1.00 0.00 C ATOM 376 OE1 GLU A 27 12.176 5.500 -0.718 1.00 0.00 O ATOM 377 OE2 GLU A 27 12.227 4.519 1.197 1.00 0.00 O ATOM 0 H GLU A 27 7.775 5.637 0.457 1.00 0.00 H new ATOM 0 HA GLU A 27 7.949 2.740 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.113 4.184 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.513 5.322 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.735 2.764 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.136 3.169 -1.396 1.00 0.00 H new ATOM 384 N GLN A 28 9.170 4.079 2.522 1.00 0.00 N ATOM 385 CA GLN A 28 9.696 3.712 3.865 1.00 0.00 C ATOM 386 C GLN A 28 8.550 3.202 4.740 1.00 0.00 C ATOM 387 O GLN A 28 8.717 2.278 5.517 1.00 0.00 O ATOM 388 CB GLN A 28 10.279 5.003 4.444 1.00 0.00 C ATOM 389 CG GLN A 28 11.808 4.933 4.415 1.00 0.00 C ATOM 390 CD GLN A 28 12.372 6.309 4.072 1.00 0.00 C ATOM 391 OE1 GLN A 28 12.577 7.126 4.942 1.00 0.00 O ATOM 392 NE2 GLN A 28 12.635 6.601 2.835 1.00 0.00 N ATOM 0 H GLN A 28 8.993 5.074 2.380 1.00 0.00 H new ATOM 0 HA GLN A 28 10.448 2.924 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.933 5.861 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.931 5.145 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.186 4.604 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.136 4.200 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.463 5.914 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.014 7.518 2.597 1.00 0.00 H new ATOM 401 N GLN A 29 7.375 3.780 4.616 1.00 0.00 N ATOM 402 CA GLN A 29 6.236 3.296 5.461 1.00 0.00 C ATOM 403 C GLN A 29 5.726 1.948 4.942 1.00 0.00 C ATOM 404 O GLN A 29 5.800 0.949 5.631 1.00 0.00 O ATOM 405 CB GLN A 29 5.150 4.372 5.375 1.00 0.00 C ATOM 406 CG GLN A 29 4.179 4.197 6.551 1.00 0.00 C ATOM 407 CD GLN A 29 2.763 3.933 6.034 1.00 0.00 C ATOM 408 OE1 GLN A 29 2.581 3.382 4.969 1.00 0.00 O ATOM 409 NE2 GLN A 29 1.743 4.298 6.752 1.00 0.00 N ATOM 0 H GLN A 29 7.159 4.549 3.981 1.00 0.00 H new ATOM 0 HA GLN A 29 6.540 3.139 6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.600 5.364 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.614 4.291 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.504 3.369 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.186 5.092 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.890 4.762 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.795 4.121 6.419 1.00 0.00 H new ATOM 418 N ILE A 30 5.229 1.900 3.732 1.00 0.00 N ATOM 419 CA ILE A 30 4.739 0.593 3.186 1.00 0.00 C ATOM 420 C ILE A 30 5.907 -0.402 3.129 1.00 0.00 C ATOM 421 O ILE A 30 5.780 -1.543 3.538 1.00 0.00 O ATOM 422 CB ILE A 30 4.202 0.904 1.782 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.998 1.852 1.883 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.765 -0.391 1.090 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.882 1.201 2.707 1.00 0.00 C ATOM 0 H ILE A 30 5.141 2.698 3.103 1.00 0.00 H new ATOM 0 HA ILE A 30 3.962 0.144 3.805 1.00 0.00 H new ATOM 0 HB ILE A 30 4.993 1.378 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.302 2.791 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.631 2.093 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.385 -0.161 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.618 -1.065 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.980 -0.870 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.033 1.882 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.568 0.275 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.250 0.983 3.710 1.00 0.00 H new ATOM 437 N GLY A 31 7.053 0.034 2.645 1.00 0.00 N ATOM 438 CA GLY A 31 8.253 -0.865 2.575 1.00 0.00 C ATOM 439 C GLY A 31 8.502 -1.540 3.935 1.00 0.00 C ATOM 440 O GLY A 31 8.930 -2.684 4.001 1.00 0.00 O ATOM 0 H GLY A 31 7.207 0.979 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.101 -1.624 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.130 -0.288 2.283 1.00 0.00 H new ATOM 444 N LYS A 32 8.253 -0.844 5.021 1.00 0.00 N ATOM 445 CA LYS A 32 8.477 -1.455 6.371 1.00 0.00 C ATOM 446 C LYS A 32 7.221 -1.304 7.248 1.00 0.00 C ATOM 447 O LYS A 32 7.312 -1.110 8.445 1.00 0.00 O ATOM 448 CB LYS A 32 9.648 -0.670 6.976 1.00 0.00 C ATOM 449 CG LYS A 32 10.915 -0.880 6.138 1.00 0.00 C ATOM 450 CD LYS A 32 11.344 -2.349 6.200 1.00 0.00 C ATOM 451 CE LYS A 32 12.089 -2.719 4.914 1.00 0.00 C ATOM 452 NZ LYS A 32 11.170 -3.643 4.186 1.00 0.00 N ATOM 0 H LYS A 32 7.906 0.115 5.031 1.00 0.00 H new ATOM 0 HA LYS A 32 8.689 -2.522 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.402 0.391 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.823 -0.996 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.730 -0.590 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.717 -0.242 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.986 -2.515 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.470 -2.989 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.311 -1.834 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.041 -3.202 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.444 -3.686 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.232 -4.594 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.194 -3.294 4.263 1.00 0.00 H new ATOM 466 N VAL A 33 6.050 -1.369 6.661 1.00 0.00 N ATOM 467 CA VAL A 33 4.795 -1.204 7.465 1.00 0.00 C ATOM 468 C VAL A 33 4.484 -2.459 8.305 1.00 0.00 C ATOM 469 O VAL A 33 4.084 -2.355 9.450 1.00 0.00 O ATOM 470 CB VAL A 33 3.688 -0.926 6.431 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.331 -2.200 5.658 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.442 -0.407 7.146 1.00 0.00 C ATOM 0 H VAL A 33 5.908 -1.529 5.664 1.00 0.00 H new ATOM 0 HA VAL A 33 4.886 -0.393 8.188 1.00 0.00 H new ATOM 0 HB VAL A 33 4.054 -0.180 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.547 -1.979 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.214 -2.568 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.978 -2.961 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.658 -0.210 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.094 -1.154 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.684 0.514 7.676 1.00 0.00 H new ATOM 482 N ASN A 34 4.658 -3.641 7.755 1.00 0.00 N ATOM 483 CA ASN A 34 4.360 -4.888 8.536 1.00 0.00 C ATOM 484 C ASN A 34 4.730 -6.146 7.732 1.00 0.00 C ATOM 485 O ASN A 34 5.479 -6.985 8.193 1.00 0.00 O ATOM 486 CB ASN A 34 2.845 -4.835 8.799 1.00 0.00 C ATOM 487 CG ASN A 34 2.346 -6.196 9.287 1.00 0.00 C ATOM 488 OD1 ASN A 34 1.452 -6.768 8.700 1.00 0.00 O ATOM 489 ND2 ASN A 34 2.888 -6.744 10.336 1.00 0.00 N ATOM 0 H ASN A 34 4.992 -3.795 6.804 1.00 0.00 H new ATOM 0 HA ASN A 34 4.938 -4.938 9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.624 -4.070 9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.320 -4.553 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.561 -7.653 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.640 -6.264 10.831 1.00 0.00 H new ATOM 496 N GLY A 35 4.209 -6.284 6.541 1.00 0.00 N ATOM 497 CA GLY A 35 4.523 -7.485 5.709 1.00 0.00 C ATOM 498 C GLY A 35 4.602 -7.061 4.245 1.00 0.00 C ATOM 499 O GLY A 35 3.668 -7.233 3.494 1.00 0.00 O ATOM 0 H GLY A 35 3.576 -5.613 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.468 -7.927 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.755 -8.247 5.841 1.00 0.00 H new ATOM 503 N VAL A 36 5.706 -6.499 3.840 1.00 0.00 N ATOM 504 CA VAL A 36 5.843 -6.051 2.431 1.00 0.00 C ATOM 505 C VAL A 36 7.186 -6.499 1.868 1.00 0.00 C ATOM 506 O VAL A 36 8.181 -5.797 1.922 1.00 0.00 O ATOM 507 CB VAL A 36 5.737 -4.527 2.477 1.00 0.00 C ATOM 508 CG1 VAL A 36 6.236 -3.936 1.157 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.275 -4.138 2.676 1.00 0.00 C ATOM 0 H VAL A 36 6.522 -6.331 4.429 1.00 0.00 H new ATOM 0 HA VAL A 36 5.078 -6.478 1.783 1.00 0.00 H new ATOM 0 HB VAL A 36 6.343 -4.144 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.159 -2.849 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.276 -4.221 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.628 -4.316 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.189 -3.052 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.680 -4.523 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.910 -4.561 3.612 1.00 0.00 H new ATOM 519 N HIS A 37 7.202 -7.667 1.320 1.00 0.00 N ATOM 520 CA HIS A 37 8.462 -8.208 0.713 1.00 0.00 C ATOM 521 C HIS A 37 8.825 -7.366 -0.527 1.00 0.00 C ATOM 522 O HIS A 37 9.978 -7.226 -0.878 1.00 0.00 O ATOM 523 CB HIS A 37 8.157 -9.666 0.325 1.00 0.00 C ATOM 524 CG HIS A 37 7.725 -10.460 1.537 1.00 0.00 C ATOM 525 ND1 HIS A 37 8.521 -11.452 2.087 1.00 0.00 N ATOM 526 CD2 HIS A 37 6.581 -10.431 2.304 1.00 0.00 C ATOM 527 CE1 HIS A 37 7.855 -11.974 3.134 1.00 0.00 C ATOM 528 NE2 HIS A 37 6.669 -11.387 3.310 1.00 0.00 N ATOM 0 H HIS A 37 6.395 -8.287 1.259 1.00 0.00 H new ATOM 0 HA HIS A 37 9.308 -8.165 1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.372 -9.690 -0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.042 -10.122 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.744 -9.767 2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.234 -12.771 3.756 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.976 -11.595 4.029 1.00 0.00 H new ATOM 536 N HIS A 38 7.836 -6.776 -1.165 1.00 0.00 N ATOM 537 CA HIS A 38 8.092 -5.903 -2.357 1.00 0.00 C ATOM 538 C HIS A 38 7.143 -4.694 -2.300 1.00 0.00 C ATOM 539 O HIS A 38 5.937 -4.851 -2.188 1.00 0.00 O ATOM 540 CB HIS A 38 7.794 -6.743 -3.611 1.00 0.00 C ATOM 541 CG HIS A 38 8.642 -7.984 -3.631 1.00 0.00 C ATOM 542 ND1 HIS A 38 9.717 -8.140 -4.489 1.00 0.00 N ATOM 543 CD2 HIS A 38 8.569 -9.141 -2.911 1.00 0.00 C ATOM 544 CE1 HIS A 38 10.241 -9.362 -4.263 1.00 0.00 C ATOM 545 NE2 HIS A 38 9.576 -10.013 -3.308 1.00 0.00 N ATOM 0 H HIS A 38 6.853 -6.865 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 38 9.121 -5.544 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.739 -7.017 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.986 -6.151 -4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.836 -9.349 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.094 -9.764 -4.790 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.765 -10.948 -2.947 1.00 0.00 H new ATOM 553 N ILE A 39 7.666 -3.496 -2.360 1.00 0.00 N ATOM 554 CA ILE A 39 6.797 -2.284 -2.299 1.00 0.00 C ATOM 555 C ILE A 39 7.087 -1.374 -3.504 1.00 0.00 C ATOM 556 O ILE A 39 8.229 -1.138 -3.851 1.00 0.00 O ATOM 557 CB ILE A 39 7.172 -1.606 -0.965 1.00 0.00 C ATOM 558 CG1 ILE A 39 6.562 -0.200 -0.897 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.699 -1.510 -0.820 1.00 0.00 C ATOM 560 CD1 ILE A 39 7.364 0.758 -1.776 1.00 0.00 C ATOM 0 H ILE A 39 8.664 -3.305 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 39 5.732 -2.514 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 39 6.776 -2.212 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.524 -0.228 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.558 0.155 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.945 -1.029 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.130 -2.511 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.106 -0.922 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.925 1.754 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.395 0.797 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.345 0.408 -2.808 1.00 0.00 H new ATOM 572 N LYS A 40 6.066 -0.863 -4.150 1.00 0.00 N ATOM 573 CA LYS A 40 6.292 0.024 -5.328 1.00 0.00 C ATOM 574 C LYS A 40 5.479 1.318 -5.193 1.00 0.00 C ATOM 575 O LYS A 40 4.264 1.298 -5.101 1.00 0.00 O ATOM 576 CB LYS A 40 5.809 -0.784 -6.534 1.00 0.00 C ATOM 577 CG LYS A 40 6.238 -0.075 -7.826 1.00 0.00 C ATOM 578 CD LYS A 40 5.001 0.252 -8.677 1.00 0.00 C ATOM 579 CE LYS A 40 4.503 1.677 -8.371 1.00 0.00 C ATOM 580 NZ LYS A 40 5.457 2.604 -9.060 1.00 0.00 N ATOM 0 H LYS A 40 5.088 -1.024 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 40 7.338 0.317 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.226 -1.790 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.724 -0.888 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.778 0.841 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.921 -0.710 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.246 0.165 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.209 -0.469 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.486 1.822 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.486 1.862 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.941 3.436 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.191 2.908 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.902 2.112 -9.860 1.00 0.00 H new ATOM 594 N VAL A 41 6.142 2.443 -5.208 1.00 0.00 N ATOM 595 CA VAL A 41 5.427 3.748 -5.107 1.00 0.00 C ATOM 596 C VAL A 41 5.502 4.452 -6.467 1.00 0.00 C ATOM 597 O VAL A 41 6.299 4.084 -7.316 1.00 0.00 O ATOM 598 CB VAL A 41 6.154 4.558 -4.021 1.00 0.00 C ATOM 599 CG1 VAL A 41 5.197 5.591 -3.427 1.00 0.00 C ATOM 600 CG2 VAL A 41 6.627 3.636 -2.892 1.00 0.00 C ATOM 0 H VAL A 41 7.156 2.514 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 41 4.375 3.631 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 41 7.013 5.050 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.713 6.165 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.855 6.264 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.340 5.082 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.140 4.225 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.767 3.137 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.311 2.889 -3.295 1.00 0.00 H new ATOM 610 N SER A 42 4.677 5.440 -6.699 1.00 0.00 N ATOM 611 CA SER A 42 4.699 6.134 -8.015 1.00 0.00 C ATOM 612 C SER A 42 4.253 7.589 -7.860 1.00 0.00 C ATOM 613 O SER A 42 3.099 7.920 -8.025 1.00 0.00 O ATOM 614 CB SER A 42 3.720 5.348 -8.890 1.00 0.00 C ATOM 615 OG SER A 42 4.456 4.596 -9.858 1.00 0.00 O ATOM 0 H SER A 42 3.991 5.794 -6.033 1.00 0.00 H new ATOM 0 HA SER A 42 5.697 6.164 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.118 4.680 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.031 6.030 -9.388 1.00 0.00 H new ATOM 0 HG SER A 42 5.125 5.174 -10.281 1.00 0.00 H new ATOM 621 N LEU A 43 5.171 8.450 -7.525 1.00 0.00 N ATOM 622 CA LEU A 43 4.842 9.901 -7.337 1.00 0.00 C ATOM 623 C LEU A 43 4.114 10.474 -8.564 1.00 0.00 C ATOM 624 O LEU A 43 3.016 10.993 -8.455 1.00 0.00 O ATOM 625 CB LEU A 43 6.203 10.586 -7.157 1.00 0.00 C ATOM 626 CG LEU A 43 6.076 11.746 -6.167 1.00 0.00 C ATOM 627 CD1 LEU A 43 5.063 12.762 -6.689 1.00 0.00 C ATOM 628 CD2 LEU A 43 5.617 11.213 -4.808 1.00 0.00 C ATOM 0 H LEU A 43 6.151 8.212 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 43 4.176 10.057 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.937 9.866 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.564 10.954 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 43 7.046 12.231 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.976 13.586 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.396 13.146 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.092 12.280 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.527 12.040 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.650 10.723 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.347 10.496 -4.433 1.00 0.00 H new ATOM 640 N GLU A 44 4.718 10.402 -9.724 1.00 0.00 N ATOM 641 CA GLU A 44 4.060 10.962 -10.946 1.00 0.00 C ATOM 642 C GLU A 44 2.855 10.120 -11.341 1.00 0.00 C ATOM 643 O GLU A 44 1.791 10.635 -11.635 1.00 0.00 O ATOM 644 CB GLU A 44 5.135 10.928 -12.041 1.00 0.00 C ATOM 645 CG GLU A 44 6.118 12.098 -11.855 1.00 0.00 C ATOM 646 CD GLU A 44 6.955 11.891 -10.588 1.00 0.00 C ATOM 647 OE1 GLU A 44 7.515 10.817 -10.436 1.00 0.00 O ATOM 648 OE2 GLU A 44 7.012 12.808 -9.787 1.00 0.00 O ATOM 0 H GLU A 44 5.634 9.982 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 44 3.689 11.973 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.674 9.981 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.666 10.989 -13.023 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.772 12.174 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.568 13.037 -11.787 1.00 0.00 H new ATOM 655 N GLU A 45 3.006 8.834 -11.322 1.00 0.00 N ATOM 656 CA GLU A 45 1.862 7.943 -11.674 1.00 0.00 C ATOM 657 C GLU A 45 0.865 7.860 -10.502 1.00 0.00 C ATOM 658 O GLU A 45 -0.077 7.095 -10.545 1.00 0.00 O ATOM 659 CB GLU A 45 2.495 6.580 -11.973 1.00 0.00 C ATOM 660 CG GLU A 45 3.554 6.738 -13.079 1.00 0.00 C ATOM 661 CD GLU A 45 4.905 6.198 -12.598 1.00 0.00 C ATOM 662 OE1 GLU A 45 5.254 6.443 -11.449 1.00 0.00 O ATOM 663 OE2 GLU A 45 5.565 5.538 -13.380 1.00 0.00 O ATOM 0 H GLU A 45 3.872 8.353 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 45 1.294 8.312 -12.528 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.953 6.174 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.728 5.872 -12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.238 6.203 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.651 7.789 -13.353 1.00 0.00 H new ATOM 670 N LYS A 46 1.063 8.661 -9.466 1.00 0.00 N ATOM 671 CA LYS A 46 0.132 8.666 -8.290 1.00 0.00 C ATOM 672 C LYS A 46 -0.391 7.247 -7.967 1.00 0.00 C ATOM 673 O LYS A 46 -1.566 6.951 -8.113 1.00 0.00 O ATOM 674 CB LYS A 46 -1.003 9.603 -8.729 1.00 0.00 C ATOM 675 CG LYS A 46 -1.154 10.763 -7.726 1.00 0.00 C ATOM 676 CD LYS A 46 -0.225 11.932 -8.092 1.00 0.00 C ATOM 677 CE LYS A 46 -0.549 12.450 -9.502 1.00 0.00 C ATOM 678 NZ LYS A 46 -1.733 13.348 -9.333 1.00 0.00 N ATOM 0 H LYS A 46 1.841 9.316 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 46 0.618 8.997 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.795 9.997 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.938 9.047 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.189 11.106 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.923 10.411 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.339 12.737 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.814 11.607 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.297 12.991 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.774 11.627 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.718 14.084 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.607 12.791 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.699 13.795 -8.394 1.00 0.00 H new ATOM 692 N ASN A 47 0.475 6.360 -7.531 1.00 0.00 N ATOM 693 CA ASN A 47 0.009 4.968 -7.208 1.00 0.00 C ATOM 694 C ASN A 47 0.953 4.242 -6.234 1.00 0.00 C ATOM 695 O ASN A 47 2.160 4.401 -6.271 1.00 0.00 O ATOM 696 CB ASN A 47 -0.024 4.246 -8.561 1.00 0.00 C ATOM 697 CG ASN A 47 -0.872 2.979 -8.451 1.00 0.00 C ATOM 698 OD1 ASN A 47 -0.356 1.908 -8.206 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.158 3.053 -8.627 1.00 0.00 N ATOM 0 H ASN A 47 1.470 6.534 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.960 4.986 -6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.436 4.905 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.989 3.991 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.731 2.212 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.594 3.952 -8.833 1.00 0.00 H new ATOM 706 N ALA A 48 0.394 3.426 -5.373 1.00 0.00 N ATOM 707 CA ALA A 48 1.222 2.657 -4.397 1.00 0.00 C ATOM 708 C ALA A 48 0.925 1.158 -4.556 1.00 0.00 C ATOM 709 O ALA A 48 -0.138 0.687 -4.205 1.00 0.00 O ATOM 710 CB ALA A 48 0.784 3.163 -3.018 1.00 0.00 C ATOM 0 H ALA A 48 -0.610 3.260 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 48 2.293 2.792 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.349 2.644 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.971 4.234 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.280 2.971 -2.881 1.00 0.00 H new ATOM 716 N THR A 49 1.855 0.405 -5.084 1.00 0.00 N ATOM 717 CA THR A 49 1.630 -1.059 -5.266 1.00 0.00 C ATOM 718 C THR A 49 2.604 -1.831 -4.378 1.00 0.00 C ATOM 719 O THR A 49 3.728 -1.427 -4.200 1.00 0.00 O ATOM 720 CB THR A 49 1.881 -1.330 -6.763 1.00 0.00 C ATOM 721 OG1 THR A 49 0.632 -1.472 -7.430 1.00 0.00 O ATOM 722 CG2 THR A 49 2.690 -2.618 -6.956 1.00 0.00 C ATOM 0 H THR A 49 2.765 0.743 -5.398 1.00 0.00 H new ATOM 0 HA THR A 49 0.626 -1.376 -4.984 1.00 0.00 H new ATOM 0 HB THR A 49 2.443 -0.492 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.618 -0.898 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.855 -2.788 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.651 -2.523 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.140 -3.460 -6.535 1.00 0.00 H new ATOM 730 N ILE A 50 2.191 -2.919 -3.801 1.00 0.00 N ATOM 731 CA ILE A 50 3.127 -3.675 -2.907 1.00 0.00 C ATOM 732 C ILE A 50 2.591 -5.082 -2.627 1.00 0.00 C ATOM 733 O ILE A 50 1.403 -5.333 -2.727 1.00 0.00 O ATOM 734 CB ILE A 50 3.219 -2.829 -1.607 1.00 0.00 C ATOM 735 CG1 ILE A 50 3.464 -3.729 -0.382 1.00 0.00 C ATOM 736 CG2 ILE A 50 1.933 -2.020 -1.387 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.132 -4.233 0.190 1.00 0.00 C ATOM 0 H ILE A 50 1.259 -3.321 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 50 4.108 -3.814 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 50 4.059 -2.144 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.089 -4.576 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.008 -3.173 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.023 -1.436 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.777 -1.348 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.085 -2.700 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.324 -4.868 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.521 -3.383 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.603 -4.807 -0.571 1.00 0.00 H new ATOM 749 N ILE A 51 3.452 -6.001 -2.270 1.00 0.00 N ATOM 750 CA ILE A 51 2.995 -7.375 -1.976 1.00 0.00 C ATOM 751 C ILE A 51 3.056 -7.616 -0.467 1.00 0.00 C ATOM 752 O ILE A 51 3.699 -6.884 0.263 1.00 0.00 O ATOM 753 CB ILE A 51 3.943 -8.284 -2.754 1.00 0.00 C ATOM 754 CG1 ILE A 51 5.299 -8.322 -2.072 1.00 0.00 C ATOM 755 CG2 ILE A 51 4.105 -7.781 -4.193 1.00 0.00 C ATOM 756 CD1 ILE A 51 5.388 -9.601 -1.256 1.00 0.00 C ATOM 0 H ILE A 51 4.456 -5.849 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 51 1.963 -7.563 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 51 3.521 -9.289 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.098 -8.288 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.425 -7.451 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.784 -8.440 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.134 -7.775 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.513 -6.770 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.356 -9.648 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.594 -9.612 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.278 -10.462 -1.916 1.00 0.00 H new ATOM 768 N TYR A 52 2.336 -8.589 0.016 1.00 0.00 N ATOM 769 CA TYR A 52 2.292 -8.807 1.491 1.00 0.00 C ATOM 770 C TYR A 52 1.791 -10.211 1.842 1.00 0.00 C ATOM 771 O TYR A 52 1.241 -10.916 1.016 1.00 0.00 O ATOM 772 CB TYR A 52 1.288 -7.748 1.975 1.00 0.00 C ATOM 773 CG TYR A 52 -0.032 -7.915 1.237 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.127 -7.598 -0.131 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.155 -8.407 1.912 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.328 -7.770 -0.806 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.366 -8.574 1.225 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.450 -8.258 -0.134 1.00 0.00 C ATOM 779 OH TYR A 52 -3.638 -8.425 -0.812 1.00 0.00 O ATOM 0 H TYR A 52 1.780 -9.239 -0.540 1.00 0.00 H new ATOM 0 HA TYR A 52 3.276 -8.722 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.130 -7.847 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.688 -6.749 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.737 -7.220 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.089 -8.658 2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.394 -7.525 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.235 -8.947 1.747 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.509 -9.062 -1.545 1.00 0.00 H new ATOM 789 N ASP A 53 1.974 -10.611 3.071 1.00 0.00 N ATOM 790 CA ASP A 53 1.512 -11.962 3.510 1.00 0.00 C ATOM 791 C ASP A 53 -0.022 -12.001 3.620 1.00 0.00 C ATOM 792 O ASP A 53 -0.596 -11.352 4.481 1.00 0.00 O ATOM 793 CB ASP A 53 2.168 -12.170 4.880 1.00 0.00 C ATOM 794 CG ASP A 53 3.206 -13.284 4.784 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.846 -14.366 4.356 1.00 0.00 O ATOM 796 OD2 ASP A 53 4.342 -13.037 5.137 1.00 0.00 O ATOM 0 H ASP A 53 2.427 -10.056 3.797 1.00 0.00 H new ATOM 0 HA ASP A 53 1.786 -12.745 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.641 -11.246 5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.412 -12.426 5.622 1.00 0.00 H new ATOM 801 N PRO A 54 -0.638 -12.778 2.749 1.00 0.00 N ATOM 802 CA PRO A 54 -2.120 -12.920 2.757 1.00 0.00 C ATOM 803 C PRO A 54 -2.540 -13.710 4.002 1.00 0.00 C ATOM 804 O PRO A 54 -2.994 -14.837 3.927 1.00 0.00 O ATOM 805 CB PRO A 54 -2.413 -13.694 1.471 1.00 0.00 C ATOM 806 CG PRO A 54 -1.150 -14.438 1.178 1.00 0.00 C ATOM 807 CD PRO A 54 -0.020 -13.591 1.696 1.00 0.00 C ATOM 0 HA PRO A 54 -2.661 -11.974 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.253 -14.376 1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.674 -13.021 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.155 -15.415 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.043 -14.613 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.790 -14.205 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.405 -12.968 0.909 1.00 0.00 H new ATOM 815 N LYS A 55 -2.346 -13.118 5.148 1.00 0.00 N ATOM 816 CA LYS A 55 -2.678 -13.795 6.440 1.00 0.00 C ATOM 817 C LYS A 55 -2.425 -12.827 7.603 1.00 0.00 C ATOM 818 O LYS A 55 -3.247 -12.665 8.482 1.00 0.00 O ATOM 819 CB LYS A 55 -1.739 -15.020 6.531 1.00 0.00 C ATOM 820 CG LYS A 55 -0.349 -14.709 5.939 1.00 0.00 C ATOM 821 CD LYS A 55 0.336 -16.016 5.519 1.00 0.00 C ATOM 822 CE LYS A 55 0.216 -16.201 4.000 1.00 0.00 C ATOM 823 NZ LYS A 55 1.624 -16.267 3.506 1.00 0.00 N ATOM 0 H LYS A 55 -1.965 -12.177 5.248 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.723 -14.101 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.633 -15.322 7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.183 -15.861 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.449 -14.046 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.262 -14.187 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.386 -15.997 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.123 -16.860 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.331 -17.111 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.324 -15.372 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.624 -16.393 2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.118 -15.384 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.111 -17.070 3.953 1.00 0.00 H new ATOM 837 N LEU A 56 -1.290 -12.172 7.595 1.00 0.00 N ATOM 838 CA LEU A 56 -0.959 -11.197 8.676 1.00 0.00 C ATOM 839 C LEU A 56 -1.269 -9.760 8.204 1.00 0.00 C ATOM 840 O LEU A 56 -1.533 -8.882 9.005 1.00 0.00 O ATOM 841 CB LEU A 56 0.545 -11.425 8.935 1.00 0.00 C ATOM 842 CG LEU A 56 1.305 -10.097 9.034 1.00 0.00 C ATOM 843 CD1 LEU A 56 2.459 -10.248 10.024 1.00 0.00 C ATOM 844 CD2 LEU A 56 1.873 -9.733 7.660 1.00 0.00 C ATOM 0 H LEU A 56 -0.572 -12.274 6.877 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.542 -11.334 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.675 -11.990 9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.967 -12.028 8.131 1.00 0.00 H new ATOM 0 HG LEU A 56 0.626 -9.314 9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.002 -9.305 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.065 -10.516 11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.135 -11.030 9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.414 -8.789 7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.553 -10.518 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.057 -9.633 6.944 1.00 0.00 H new ATOM 856 N GLN A 57 -1.250 -9.520 6.911 1.00 0.00 N ATOM 857 CA GLN A 57 -1.548 -8.151 6.381 1.00 0.00 C ATOM 858 C GLN A 57 -2.610 -8.236 5.272 1.00 0.00 C ATOM 859 O GLN A 57 -2.653 -9.188 4.517 1.00 0.00 O ATOM 860 CB GLN A 57 -0.207 -7.663 5.822 1.00 0.00 C ATOM 861 CG GLN A 57 -0.401 -6.375 5.012 1.00 0.00 C ATOM 862 CD GLN A 57 0.045 -5.171 5.844 1.00 0.00 C ATOM 863 OE1 GLN A 57 1.216 -4.856 5.899 1.00 0.00 O ATOM 864 NE2 GLN A 57 -0.841 -4.473 6.492 1.00 0.00 N ATOM 0 H GLN A 57 -1.040 -10.219 6.198 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.945 -7.477 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.491 -7.484 6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.233 -8.435 5.190 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.175 -6.425 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.448 -6.266 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.826 -4.733 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.550 -3.665 7.043 1.00 0.00 H new ATOM 873 N THR A 58 -3.467 -7.250 5.166 1.00 0.00 N ATOM 874 CA THR A 58 -4.525 -7.285 4.097 1.00 0.00 C ATOM 875 C THR A 58 -4.638 -5.922 3.397 1.00 0.00 C ATOM 876 O THR A 58 -4.137 -4.925 3.895 1.00 0.00 O ATOM 877 CB THR A 58 -5.848 -7.613 4.813 1.00 0.00 C ATOM 878 OG1 THR A 58 -6.350 -6.440 5.443 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.633 -8.703 5.866 1.00 0.00 C ATOM 0 H THR A 58 -3.484 -6.426 5.767 1.00 0.00 H new ATOM 0 HA THR A 58 -4.282 -8.024 3.334 1.00 0.00 H new ATOM 0 HB THR A 58 -6.565 -7.973 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.101 -6.678 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.579 -8.922 6.362 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.259 -9.606 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.908 -8.359 6.603 1.00 0.00 H new ATOM 887 N PRO A 59 -5.326 -5.917 2.273 1.00 0.00 N ATOM 888 CA PRO A 59 -5.533 -4.656 1.500 1.00 0.00 C ATOM 889 C PRO A 59 -6.318 -3.636 2.334 1.00 0.00 C ATOM 890 O PRO A 59 -6.237 -2.447 2.110 1.00 0.00 O ATOM 891 CB PRO A 59 -6.323 -5.117 0.273 1.00 0.00 C ATOM 892 CG PRO A 59 -6.977 -6.385 0.708 1.00 0.00 C ATOM 893 CD PRO A 59 -5.988 -7.055 1.621 1.00 0.00 C ATOM 0 HA PRO A 59 -4.604 -4.154 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.060 -4.373 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.668 -5.281 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.915 -6.185 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.213 -7.018 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.481 -7.705 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.280 -7.672 1.068 1.00 0.00 H new ATOM 901 N LYS A 60 -7.035 -4.097 3.325 1.00 0.00 N ATOM 902 CA LYS A 60 -7.789 -3.166 4.215 1.00 0.00 C ATOM 903 C LYS A 60 -6.788 -2.521 5.179 1.00 0.00 C ATOM 904 O LYS A 60 -6.842 -1.340 5.456 1.00 0.00 O ATOM 905 CB LYS A 60 -8.795 -4.054 4.966 1.00 0.00 C ATOM 906 CG LYS A 60 -10.080 -4.196 4.138 1.00 0.00 C ATOM 907 CD LYS A 60 -9.920 -5.327 3.110 1.00 0.00 C ATOM 908 CE LYS A 60 -10.857 -6.490 3.461 1.00 0.00 C ATOM 909 NZ LYS A 60 -11.277 -7.069 2.149 1.00 0.00 N ATOM 0 H LYS A 60 -7.131 -5.086 3.557 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.305 -2.368 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.360 -5.036 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.024 -3.618 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.924 -4.407 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.299 -3.258 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.146 -4.956 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.887 -5.673 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.348 -7.234 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.718 -6.142 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.920 -7.870 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.766 -6.342 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.438 -7.399 1.631 1.00 0.00 H new ATOM 923 N THR A 61 -5.827 -3.295 5.626 1.00 0.00 N ATOM 924 CA THR A 61 -4.758 -2.757 6.524 1.00 0.00 C ATOM 925 C THR A 61 -3.766 -1.985 5.658 1.00 0.00 C ATOM 926 O THR A 61 -3.155 -1.031 6.091 1.00 0.00 O ATOM 927 CB THR A 61 -4.085 -3.971 7.198 1.00 0.00 C ATOM 928 OG1 THR A 61 -3.343 -4.736 6.248 1.00 0.00 O ATOM 929 CG2 THR A 61 -5.146 -4.863 7.843 1.00 0.00 C ATOM 0 H THR A 61 -5.738 -4.287 5.404 1.00 0.00 H new ATOM 0 HA THR A 61 -5.147 -2.086 7.290 1.00 0.00 H new ATOM 0 HB THR A 61 -3.401 -3.598 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.786 -4.692 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.664 -5.718 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.693 -4.293 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.839 -5.215 7.079 1.00 0.00 H new ATOM 937 N LEU A 62 -3.661 -2.359 4.402 1.00 0.00 N ATOM 938 CA LEU A 62 -2.773 -1.612 3.464 1.00 0.00 C ATOM 939 C LEU A 62 -3.465 -0.279 3.159 1.00 0.00 C ATOM 940 O LEU A 62 -2.835 0.735 2.911 1.00 0.00 O ATOM 941 CB LEU A 62 -2.677 -2.479 2.199 1.00 0.00 C ATOM 942 CG LEU A 62 -1.767 -3.686 2.452 1.00 0.00 C ATOM 943 CD1 LEU A 62 -2.133 -4.825 1.494 1.00 0.00 C ATOM 944 CD2 LEU A 62 -0.310 -3.289 2.211 1.00 0.00 C ATOM 0 H LEU A 62 -4.155 -3.151 3.990 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.778 -1.415 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.670 -2.819 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.286 -1.886 1.372 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.898 -4.017 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.482 -5.680 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.171 -5.117 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.007 -4.489 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.336 -4.148 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.190 -2.955 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.036 -2.481 2.889 1.00 0.00 H new ATOM 956 N GLN A 63 -4.781 -0.283 3.248 1.00 0.00 N ATOM 957 CA GLN A 63 -5.578 0.964 3.035 1.00 0.00 C ATOM 958 C GLN A 63 -5.645 1.722 4.362 1.00 0.00 C ATOM 959 O GLN A 63 -5.879 2.907 4.407 1.00 0.00 O ATOM 960 CB GLN A 63 -6.978 0.501 2.613 1.00 0.00 C ATOM 961 CG GLN A 63 -6.988 0.196 1.114 1.00 0.00 C ATOM 962 CD GLN A 63 -7.049 1.500 0.316 1.00 0.00 C ATOM 963 OE1 GLN A 63 -6.033 2.049 -0.044 1.00 0.00 O ATOM 964 NE2 GLN A 63 -8.201 2.017 0.010 1.00 0.00 N ATOM 0 H GLN A 63 -5.337 -1.111 3.462 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.144 1.621 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.264 -0.387 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.712 1.274 2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.094 -0.365 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.845 -0.431 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.061 1.559 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.245 2.881 -0.531 1.00 0.00 H new ATOM 973 N GLU A 64 -5.384 1.029 5.439 1.00 0.00 N ATOM 974 CA GLU A 64 -5.368 1.677 6.783 1.00 0.00 C ATOM 975 C GLU A 64 -3.946 2.162 7.052 1.00 0.00 C ATOM 976 O GLU A 64 -3.705 3.028 7.870 1.00 0.00 O ATOM 977 CB GLU A 64 -5.773 0.583 7.777 1.00 0.00 C ATOM 978 CG GLU A 64 -7.283 0.644 8.035 1.00 0.00 C ATOM 979 CD GLU A 64 -7.773 -0.711 8.551 1.00 0.00 C ATOM 980 OE1 GLU A 64 -7.362 -1.093 9.635 1.00 0.00 O ATOM 981 OE2 GLU A 64 -8.552 -1.343 7.857 1.00 0.00 O ATOM 0 H GLU A 64 -5.179 0.030 5.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.042 2.530 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.502 -0.397 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.230 0.711 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.506 1.424 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.808 0.906 7.117 1.00 0.00 H new ATOM 988 N ALA A 65 -3.007 1.623 6.316 1.00 0.00 N ATOM 989 CA ALA A 65 -1.588 2.050 6.452 1.00 0.00 C ATOM 990 C ALA A 65 -1.364 3.239 5.522 1.00 0.00 C ATOM 991 O ALA A 65 -0.583 4.131 5.801 1.00 0.00 O ATOM 992 CB ALA A 65 -0.759 0.844 6.007 1.00 0.00 C ATOM 0 H ALA A 65 -3.169 0.896 5.619 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.318 2.352 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.302 1.085 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.983 -0.008 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.004 0.595 4.974 1.00 0.00 H new ATOM 998 N ILE A 66 -2.098 3.287 4.439 1.00 0.00 N ATOM 999 CA ILE A 66 -1.975 4.456 3.517 1.00 0.00 C ATOM 1000 C ILE A 66 -2.803 5.591 4.109 1.00 0.00 C ATOM 1001 O ILE A 66 -2.451 6.754 4.014 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.507 4.008 2.147 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -2.196 5.087 1.102 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -4.020 3.798 2.209 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.705 5.430 1.131 1.00 0.00 C ATOM 0 H ILE A 66 -2.771 2.575 4.155 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.949 4.804 3.397 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.025 3.070 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.477 4.735 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.787 5.981 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.384 3.481 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.251 3.031 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.506 4.732 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.494 6.197 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.436 5.801 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.122 4.537 0.908 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.870 5.240 4.791 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.688 6.275 5.472 1.00 0.00 C ATOM 1019 C ASP A 67 -3.877 6.769 6.681 1.00 0.00 C ATOM 1020 O ASP A 67 -3.966 7.911 7.088 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.961 5.545 5.921 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.058 6.562 6.223 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.503 7.214 5.295 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.436 6.667 7.376 1.00 0.00 O ATOM 0 H ASP A 67 -4.202 4.282 4.900 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.939 7.132 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.292 4.859 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.754 4.945 6.807 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.057 5.893 7.232 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.198 6.262 8.402 1.00 0.00 C ATOM 1031 C ASP A 68 -1.180 7.343 7.997 1.00 0.00 C ATOM 1032 O ASP A 68 -1.029 8.347 8.670 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.493 4.947 8.780 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.348 5.209 9.758 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -0.605 5.212 10.950 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.770 5.387 9.296 1.00 0.00 O ATOM 0 H ASP A 68 -2.950 4.930 6.913 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.767 6.677 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.211 4.260 9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.107 4.464 7.882 1.00 0.00 H new ATOM 1041 N MET A 69 -0.485 7.144 6.904 1.00 0.00 N ATOM 1042 CA MET A 69 0.518 8.160 6.459 1.00 0.00 C ATOM 1043 C MET A 69 -0.184 9.456 6.016 1.00 0.00 C ATOM 1044 O MET A 69 0.306 10.545 6.253 1.00 0.00 O ATOM 1045 CB MET A 69 1.258 7.501 5.290 1.00 0.00 C ATOM 1046 CG MET A 69 2.707 7.994 5.257 1.00 0.00 C ATOM 1047 SD MET A 69 3.506 7.624 6.839 1.00 0.00 S ATOM 1048 CE MET A 69 5.074 8.458 6.503 1.00 0.00 C ATOM 0 H MET A 69 -0.569 6.324 6.303 1.00 0.00 H new ATOM 0 HA MET A 69 1.202 8.444 7.259 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.234 6.416 5.396 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.760 7.740 4.350 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.248 7.512 4.443 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.733 9.067 5.066 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.765 8.279 7.327 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.502 8.069 5.579 1.00 0.00 H new ATOM 0 HE3 MET A 69 4.902 9.529 6.400 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.327 9.348 5.383 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.060 10.578 4.943 1.00 0.00 C ATOM 1060 C GLY A 70 -1.989 10.713 3.422 1.00 0.00 C ATOM 1061 O GLY A 70 -1.496 11.696 2.900 1.00 0.00 O ATOM 0 H GLY A 70 -1.783 8.465 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.100 10.525 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.625 11.459 5.415 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.478 9.736 2.710 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.439 9.796 1.220 1.00 0.00 C ATOM 1067 C PHE A 71 -3.753 9.271 0.630 1.00 0.00 C ATOM 1068 O PHE A 71 -4.133 8.142 0.872 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.278 8.877 0.827 1.00 0.00 C ATOM 1070 CG PHE A 71 0.038 9.587 1.040 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.416 10.627 0.185 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.883 9.200 2.089 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.636 11.282 0.378 1.00 0.00 C ATOM 1074 CE2 PHE A 71 2.106 9.856 2.281 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.481 10.896 1.424 1.00 0.00 C ATOM 0 H PHE A 71 -2.905 8.894 3.097 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.309 10.813 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.309 7.964 1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.376 8.580 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.234 10.924 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.592 8.396 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.926 12.087 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.758 9.559 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.424 11.402 1.570 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.441 10.076 -0.148 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.722 9.607 -0.768 1.00 0.00 C ATOM 1087 C ASP A 72 -5.464 8.298 -1.532 1.00 0.00 C ATOM 1088 O ASP A 72 -4.863 8.305 -2.593 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.133 10.734 -1.731 1.00 0.00 C ATOM 1090 CG ASP A 72 -7.636 10.658 -2.008 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -8.064 9.666 -2.572 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.328 11.599 -1.657 1.00 0.00 O ATOM 0 H ASP A 72 -4.172 11.032 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.503 9.406 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.882 11.703 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.577 10.648 -2.665 1.00 0.00 H new ATOM 1097 N ALA A 73 -5.867 7.175 -0.981 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.596 5.869 -1.663 1.00 0.00 C ATOM 1099 C ALA A 73 -6.885 5.138 -2.073 1.00 0.00 C ATOM 1100 O ALA A 73 -7.901 5.200 -1.411 1.00 0.00 O ATOM 1101 CB ALA A 73 -4.829 5.052 -0.628 1.00 0.00 C ATOM 0 H ALA A 73 -6.368 7.107 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.043 6.018 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.587 4.074 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.908 5.572 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.443 4.926 0.264 1.00 0.00 H new ATOM 1107 N VAL A 74 -6.819 4.424 -3.169 1.00 0.00 N ATOM 1108 CA VAL A 74 -7.989 3.647 -3.675 1.00 0.00 C ATOM 1109 C VAL A 74 -7.493 2.275 -4.161 1.00 0.00 C ATOM 1110 O VAL A 74 -7.234 2.060 -5.330 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.562 4.488 -4.828 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.580 3.667 -5.625 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -9.261 5.724 -4.260 1.00 0.00 C ATOM 0 H VAL A 74 -5.982 4.347 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.752 3.465 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.744 4.788 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.979 4.273 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.093 2.783 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.394 3.360 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.667 6.320 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.071 5.413 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.544 6.321 -3.697 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.314 1.367 -3.245 1.00 0.00 N ATOM 1124 CA ILE A 75 -6.803 0.008 -3.574 1.00 0.00 C ATOM 1125 C ILE A 75 -7.565 -0.649 -4.731 1.00 0.00 C ATOM 1126 O ILE A 75 -8.730 -0.392 -4.982 1.00 0.00 O ATOM 1127 CB ILE A 75 -6.982 -0.787 -2.274 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -5.889 -1.848 -2.167 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -8.355 -1.468 -2.235 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -5.102 -1.611 -0.883 1.00 0.00 C ATOM 0 H ILE A 75 -7.506 1.515 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.768 0.045 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.912 -0.094 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.329 -2.845 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.227 -1.797 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.458 -2.025 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.138 -0.712 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.446 -2.152 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.317 -2.362 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.653 -0.618 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.773 -1.683 -0.027 1.00 0.00 H new