USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 Single : A 9 THR OG1 : rot 25:sc= 0.157 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -124:sc= -0.0525 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc=-0.00511 X(o=-0.0051,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.105 K(o=-0.11,f=-2!) USER MOD Single : A 33 TYR OH : rot 120:sc= -0.684 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.54) USER MOD Single : A 47 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.1!) USER MOD Single : A 50 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.474 K(o=-0.47,f=-1.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 101:sc= 3.51 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.044 1.537 -10.287 1.00 11.30 N ATOM 104 CA THR A 9 17.441 1.836 -9.998 1.00 53.02 C ATOM 105 C THR A 9 17.573 3.129 -9.201 1.00 62.15 C ATOM 106 O THR A 9 16.754 4.039 -9.334 1.00 63.54 O ATOM 107 CB THR A 9 18.269 1.956 -11.292 1.00 14.34 C ATOM 108 OG1 THR A 9 18.051 0.809 -12.121 1.00 3.23 O ATOM 109 CG2 THR A 9 19.751 2.086 -10.975 1.00 52.43 C ATOM 0 HA THR A 9 17.826 1.006 -9.405 1.00 53.02 H new ATOM 0 HB THR A 9 17.947 2.852 -11.822 1.00 14.34 H new ATOM 0 HG1 THR A 9 17.177 0.417 -11.914 1.00 3.23 H new ATOM 0 HG21 THR A 9 20.316 2.169 -11.904 1.00 52.43 H new ATOM 0 HG22 THR A 9 19.917 2.976 -10.368 1.00 52.43 H new ATOM 0 HG23 THR A 9 20.084 1.206 -10.426 1.00 52.43 H new ATOM 117 N VAL A 10 18.610 3.205 -8.373 1.00 61.32 N ATOM 118 CA VAL A 10 18.851 4.388 -7.556 1.00 32.11 C ATOM 119 C VAL A 10 20.207 5.007 -7.872 1.00 4.40 C ATOM 120 O VAL A 10 21.125 4.322 -8.325 1.00 13.24 O ATOM 121 CB VAL A 10 18.788 4.054 -6.053 1.00 45.45 C ATOM 122 CG1 VAL A 10 18.741 5.329 -5.225 1.00 2.11 C ATOM 123 CG2 VAL A 10 17.588 3.169 -5.754 1.00 1.20 C ATOM 0 H VAL A 10 19.297 2.461 -8.250 1.00 61.32 H new ATOM 0 HA VAL A 10 18.064 5.104 -7.795 1.00 32.11 H new ATOM 0 HB VAL A 10 19.690 3.506 -5.782 1.00 45.45 H new ATOM 0 HG11 VAL A 10 18.697 5.074 -4.166 1.00 2.11 H new ATOM 0 HG12 VAL A 10 19.635 5.922 -5.418 1.00 2.11 H new ATOM 0 HG13 VAL A 10 17.857 5.907 -5.496 1.00 2.11 H new ATOM 0 HG21 VAL A 10 17.559 2.943 -4.688 1.00 1.20 H new ATOM 0 HG22 VAL A 10 16.673 3.688 -6.040 1.00 1.20 H new ATOM 0 HG23 VAL A 10 17.671 2.241 -6.320 1.00 1.20 H new ATOM 133 N VAL A 11 20.328 6.309 -7.630 1.00 25.21 N ATOM 134 CA VAL A 11 21.574 7.022 -7.887 1.00 61.30 C ATOM 135 C VAL A 11 21.986 7.861 -6.683 1.00 33.14 C ATOM 136 O VAL A 11 21.140 8.313 -5.910 1.00 52.03 O ATOM 137 CB VAL A 11 21.453 7.937 -9.120 1.00 15.45 C ATOM 138 CG1 VAL A 11 21.236 7.112 -10.379 1.00 5.12 C ATOM 139 CG2 VAL A 11 20.324 8.940 -8.929 1.00 22.32 C ATOM 0 H VAL A 11 19.578 6.891 -7.256 1.00 25.21 H new ATOM 0 HA VAL A 11 22.337 6.267 -8.078 1.00 61.30 H new ATOM 0 HB VAL A 11 22.386 8.490 -9.234 1.00 15.45 H new ATOM 0 HG11 VAL A 11 21.153 7.776 -11.239 1.00 5.12 H new ATOM 0 HG12 VAL A 11 22.080 6.437 -10.522 1.00 5.12 H new ATOM 0 HG13 VAL A 11 20.319 6.531 -10.280 1.00 5.12 H new ATOM 0 HG21 VAL A 11 20.252 9.579 -9.809 1.00 22.32 H new ATOM 0 HG22 VAL A 11 19.383 8.407 -8.790 1.00 22.32 H new ATOM 0 HG23 VAL A 11 20.527 9.553 -8.051 1.00 22.32 H new ATOM 149 N ILE A 12 23.289 8.065 -6.529 1.00 5.51 N ATOM 150 CA ILE A 12 23.813 8.852 -5.419 1.00 42.01 C ATOM 151 C ILE A 12 24.373 10.184 -5.906 1.00 0.44 C ATOM 152 O ILE A 12 25.103 10.238 -6.894 1.00 44.45 O ATOM 153 CB ILE A 12 24.916 8.091 -4.661 1.00 24.33 C ATOM 154 CG1 ILE A 12 24.597 6.595 -4.618 1.00 32.04 C ATOM 155 CG2 ILE A 12 25.071 8.646 -3.253 1.00 33.45 C ATOM 156 CD1 ILE A 12 25.604 5.784 -3.832 1.00 14.43 C ATOM 0 H ILE A 12 24.002 7.697 -7.159 1.00 5.51 H new ATOM 0 HA ILE A 12 22.979 9.037 -4.742 1.00 42.01 H new ATOM 0 HB ILE A 12 25.859 8.227 -5.190 1.00 24.33 H new ATOM 0 HG12 ILE A 12 23.609 6.455 -4.180 1.00 32.04 H new ATOM 0 HG13 ILE A 12 24.551 6.212 -5.638 1.00 32.04 H new ATOM 0 HG21 ILE A 12 25.854 8.098 -2.730 1.00 33.45 H new ATOM 0 HG22 ILE A 12 25.340 9.701 -3.305 1.00 33.45 H new ATOM 0 HG23 ILE A 12 24.130 8.537 -2.714 1.00 33.45 H new ATOM 0 HD11 ILE A 12 25.314 4.733 -3.844 1.00 14.43 H new ATOM 0 HD12 ILE A 12 26.591 5.894 -4.282 1.00 14.43 H new ATOM 0 HD13 ILE A 12 25.634 6.140 -2.802 1.00 14.43 H new ATOM 168 N ALA A 13 24.027 11.258 -5.202 1.00 74.35 N ATOM 169 CA ALA A 13 24.498 12.590 -5.560 1.00 74.11 C ATOM 170 C ALA A 13 25.970 12.765 -5.206 1.00 24.02 C ATOM 171 O ALA A 13 26.376 12.543 -4.064 1.00 74.40 O ATOM 172 CB ALA A 13 23.656 13.651 -4.866 1.00 62.05 C ATOM 0 H ALA A 13 23.422 11.231 -4.381 1.00 74.35 H new ATOM 0 HA ALA A 13 24.395 12.708 -6.639 1.00 74.11 H new ATOM 0 HB1 ALA A 13 24.019 14.641 -5.142 1.00 62.05 H new ATOM 0 HB2 ALA A 13 22.615 13.547 -5.172 1.00 62.05 H new ATOM 0 HB3 ALA A 13 23.731 13.526 -3.786 1.00 62.05 H new ATOM 178 N LEU A 14 26.768 13.164 -6.191 1.00 34.23 N ATOM 179 CA LEU A 14 28.197 13.368 -5.983 1.00 10.30 C ATOM 180 C LEU A 14 28.477 14.777 -5.469 1.00 34.10 C ATOM 181 O LEU A 14 29.417 14.994 -4.704 1.00 52.54 O ATOM 182 CB LEU A 14 28.961 13.127 -7.286 1.00 3.50 C ATOM 183 CG LEU A 14 28.474 11.960 -8.144 1.00 73.42 C ATOM 184 CD1 LEU A 14 29.101 12.016 -9.528 1.00 60.04 C ATOM 185 CD2 LEU A 14 28.788 10.633 -7.468 1.00 11.22 C ATOM 0 H LEU A 14 26.449 13.353 -7.141 1.00 34.23 H new ATOM 0 HA LEU A 14 28.536 12.654 -5.233 1.00 10.30 H new ATOM 0 HB2 LEU A 14 28.914 14.037 -7.885 1.00 3.50 H new ATOM 0 HB3 LEU A 14 30.010 12.960 -7.043 1.00 3.50 H new ATOM 0 HG LEU A 14 27.393 12.042 -8.254 1.00 73.42 H new ATOM 0 HD11 LEU A 14 28.742 11.177 -10.124 1.00 60.04 H new ATOM 0 HD12 LEU A 14 28.825 12.951 -10.015 1.00 60.04 H new ATOM 0 HD13 LEU A 14 30.186 11.960 -9.439 1.00 60.04 H new ATOM 0 HD21 LEU A 14 28.434 9.813 -8.093 1.00 11.22 H new ATOM 0 HD22 LEU A 14 29.865 10.543 -7.327 1.00 11.22 H new ATOM 0 HD23 LEU A 14 28.290 10.591 -6.499 1.00 11.22 H new ATOM 197 N TYR A 15 27.653 15.730 -5.892 1.00 62.50 N ATOM 198 CA TYR A 15 27.812 17.118 -5.475 1.00 32.42 C ATOM 199 C TYR A 15 26.459 17.817 -5.385 1.00 1.42 C ATOM 200 O TYR A 15 25.488 17.400 -6.017 1.00 23.14 O ATOM 201 CB TYR A 15 28.721 17.865 -6.452 1.00 22.05 C ATOM 202 CG TYR A 15 30.009 17.135 -6.759 1.00 42.20 C ATOM 203 CD1 TYR A 15 31.121 17.270 -5.937 1.00 13.05 C ATOM 204 CD2 TYR A 15 30.114 16.310 -7.872 1.00 21.31 C ATOM 205 CE1 TYR A 15 32.300 16.606 -6.214 1.00 74.33 C ATOM 206 CE2 TYR A 15 31.289 15.640 -8.157 1.00 15.34 C ATOM 207 CZ TYR A 15 32.379 15.792 -7.325 1.00 74.11 C ATOM 208 OH TYR A 15 33.551 15.127 -7.604 1.00 53.34 O ATOM 0 H TYR A 15 26.869 15.566 -6.523 1.00 62.50 H new ATOM 0 HA TYR A 15 28.271 17.124 -4.486 1.00 32.42 H new ATOM 0 HB2 TYR A 15 28.179 18.035 -7.382 1.00 22.05 H new ATOM 0 HB3 TYR A 15 28.958 18.845 -6.038 1.00 22.05 H new ATOM 0 HD1 TYR A 15 31.062 17.906 -5.066 1.00 13.05 H new ATOM 0 HD2 TYR A 15 29.263 16.190 -8.526 1.00 21.31 H new ATOM 0 HE1 TYR A 15 33.155 16.723 -5.565 1.00 74.33 H new ATOM 0 HE2 TYR A 15 31.353 15.001 -9.026 1.00 15.34 H new ATOM 0 HH TYR A 15 33.439 14.596 -8.420 1.00 53.34 H new ATOM 218 N ASP A 16 26.404 18.884 -4.596 1.00 11.54 N ATOM 219 CA ASP A 16 25.172 19.645 -4.423 1.00 34.00 C ATOM 220 C ASP A 16 24.822 20.410 -5.696 1.00 21.51 C ATOM 221 O ASP A 16 25.266 21.541 -5.895 1.00 23.45 O ATOM 222 CB ASP A 16 25.307 20.617 -3.250 1.00 43.32 C ATOM 223 CG ASP A 16 24.166 21.613 -3.188 1.00 74.25 C ATOM 224 OD1 ASP A 16 23.004 21.195 -3.377 1.00 41.32 O ATOM 225 OD2 ASP A 16 24.434 22.810 -2.952 1.00 73.33 O ATOM 0 H ASP A 16 27.198 19.242 -4.066 1.00 11.54 H new ATOM 0 HA ASP A 16 24.367 18.941 -4.210 1.00 34.00 H new ATOM 0 HB2 ASP A 16 25.344 20.054 -2.318 1.00 43.32 H new ATOM 0 HB3 ASP A 16 26.251 21.155 -3.335 1.00 43.32 H new ATOM 230 N TYR A 17 24.025 19.784 -6.555 1.00 50.52 N ATOM 231 CA TYR A 17 23.619 20.404 -7.811 1.00 13.42 C ATOM 232 C TYR A 17 22.513 21.430 -7.579 1.00 60.23 C ATOM 233 O TYR A 17 21.688 21.276 -6.679 1.00 61.33 O ATOM 234 CB TYR A 17 23.142 19.339 -8.799 1.00 65.33 C ATOM 235 CG TYR A 17 22.504 19.910 -10.045 1.00 43.41 C ATOM 236 CD1 TYR A 17 23.274 20.534 -11.020 1.00 12.13 C ATOM 237 CD2 TYR A 17 21.132 19.828 -10.247 1.00 63.04 C ATOM 238 CE1 TYR A 17 22.695 21.059 -12.159 1.00 62.43 C ATOM 239 CE2 TYR A 17 20.545 20.348 -11.384 1.00 43.35 C ATOM 240 CZ TYR A 17 21.331 20.963 -12.337 1.00 72.34 C ATOM 241 OH TYR A 17 20.750 21.484 -13.471 1.00 33.42 O ATOM 0 H TYR A 17 23.648 18.848 -6.405 1.00 50.52 H new ATOM 0 HA TYR A 17 24.485 20.917 -8.230 1.00 13.42 H new ATOM 0 HB2 TYR A 17 23.990 18.718 -9.087 1.00 65.33 H new ATOM 0 HB3 TYR A 17 22.425 18.688 -8.300 1.00 65.33 H new ATOM 0 HD1 TYR A 17 24.343 20.610 -10.885 1.00 12.13 H new ATOM 0 HD2 TYR A 17 20.514 19.349 -9.502 1.00 63.04 H new ATOM 0 HE1 TYR A 17 23.307 21.542 -12.906 1.00 62.43 H new ATOM 0 HE2 TYR A 17 19.477 20.274 -11.526 1.00 43.35 H new ATOM 0 HH TYR A 17 19.782 21.332 -13.442 1.00 33.42 H new ATOM 251 N GLN A 18 22.504 22.476 -8.399 1.00 60.34 N ATOM 252 CA GLN A 18 21.500 23.527 -8.285 1.00 2.13 C ATOM 253 C GLN A 18 20.987 23.942 -9.660 1.00 35.35 C ATOM 254 O GLN A 18 21.762 24.337 -10.531 1.00 54.20 O ATOM 255 CB GLN A 18 22.083 24.740 -7.558 1.00 12.43 C ATOM 256 CG GLN A 18 22.028 24.626 -6.043 1.00 14.22 C ATOM 257 CD GLN A 18 22.666 25.811 -5.345 1.00 32.24 C ATOM 258 OE1 GLN A 18 22.020 26.834 -5.118 1.00 40.51 O ATOM 259 NE2 GLN A 18 23.941 25.678 -4.999 1.00 20.11 N ATOM 0 H GLN A 18 23.180 22.618 -9.149 1.00 60.34 H new ATOM 0 HA GLN A 18 20.662 23.134 -7.709 1.00 2.13 H new ATOM 0 HB2 GLN A 18 23.120 24.874 -7.866 1.00 12.43 H new ATOM 0 HB3 GLN A 18 21.540 25.634 -7.867 1.00 12.43 H new ATOM 0 HG2 GLN A 18 20.989 24.539 -5.727 1.00 14.22 H new ATOM 0 HG3 GLN A 18 22.533 23.711 -5.733 1.00 14.22 H new ATOM 0 HE21 GLN A 18 24.438 24.812 -5.207 1.00 20.11 H new ATOM 0 HE22 GLN A 18 24.423 26.442 -4.525 1.00 20.11 H new ATOM 268 N THR A 19 19.674 23.848 -9.848 1.00 52.33 N ATOM 269 CA THR A 19 19.056 24.212 -11.117 1.00 64.14 C ATOM 270 C THR A 19 18.695 25.692 -11.149 1.00 11.53 C ATOM 271 O THR A 19 18.613 26.343 -10.108 1.00 11.01 O ATOM 272 CB THR A 19 17.788 23.380 -11.384 1.00 30.30 C ATOM 273 OG1 THR A 19 17.149 23.831 -12.583 1.00 53.31 O ATOM 274 CG2 THR A 19 16.818 23.482 -10.217 1.00 1.45 C ATOM 0 H THR A 19 19.018 23.523 -9.137 1.00 52.33 H new ATOM 0 HA THR A 19 19.789 24.003 -11.896 1.00 64.14 H new ATOM 0 HB THR A 19 18.083 22.337 -11.501 1.00 30.30 H new ATOM 0 HG1 THR A 19 16.222 24.081 -12.386 1.00 53.31 H new ATOM 0 HG21 THR A 19 15.930 22.886 -10.429 1.00 1.45 H new ATOM 0 HG22 THR A 19 17.298 23.110 -9.312 1.00 1.45 H new ATOM 0 HG23 THR A 19 16.530 24.523 -10.073 1.00 1.45 H new ATOM 282 N ASN A 20 18.479 26.219 -12.350 1.00 31.11 N ATOM 283 CA ASN A 20 18.126 27.624 -12.516 1.00 54.03 C ATOM 284 C ASN A 20 16.612 27.799 -12.591 1.00 52.10 C ATOM 285 O ASN A 20 16.083 28.864 -12.271 1.00 22.11 O ATOM 286 CB ASN A 20 18.779 28.190 -13.779 1.00 74.51 C ATOM 287 CG ASN A 20 19.041 29.680 -13.676 1.00 64.44 C ATOM 288 OD1 ASN A 20 19.992 30.110 -13.024 1.00 24.13 O ATOM 289 ND2 ASN A 20 18.197 30.475 -14.322 1.00 52.05 N ATOM 0 H ASN A 20 18.542 25.694 -13.222 1.00 31.11 H new ATOM 0 HA ASN A 20 18.495 28.171 -11.648 1.00 54.03 H new ATOM 0 HB2 ASN A 20 19.719 27.670 -13.963 1.00 74.51 H new ATOM 0 HB3 ASN A 20 18.135 27.996 -14.636 1.00 74.51 H new ATOM 0 HD21 ASN A 20 18.323 31.487 -14.290 1.00 52.05 H new ATOM 0 HD22 ASN A 20 17.422 30.074 -14.850 1.00 52.05 H new ATOM 296 N ASP A 21 15.920 26.747 -13.015 1.00 45.00 N ATOM 297 CA ASP A 21 14.467 26.783 -13.130 1.00 42.13 C ATOM 298 C ASP A 21 13.828 25.680 -12.293 1.00 60.30 C ATOM 299 O ASP A 21 14.469 24.695 -11.927 1.00 21.55 O ATOM 300 CB ASP A 21 14.047 26.638 -14.594 1.00 14.43 C ATOM 301 CG ASP A 21 13.974 27.973 -15.310 1.00 32.32 C ATOM 302 OD1 ASP A 21 12.986 28.707 -15.098 1.00 73.11 O ATOM 303 OD2 ASP A 21 14.905 28.283 -16.081 1.00 42.22 O ATOM 0 H ASP A 21 16.342 25.859 -13.285 1.00 45.00 H new ATOM 0 HA ASP A 21 14.121 27.746 -12.754 1.00 42.13 H new ATOM 0 HB2 ASP A 21 14.756 25.990 -15.110 1.00 14.43 H new ATOM 0 HB3 ASP A 21 13.074 26.149 -14.643 1.00 14.43 H new ATOM 308 N PRO A 22 12.534 25.847 -11.981 1.00 42.03 N ATOM 309 CA PRO A 22 11.780 24.876 -11.183 1.00 62.22 C ATOM 310 C PRO A 22 11.531 23.574 -11.938 1.00 3.24 C ATOM 311 O PRO A 22 11.190 22.555 -11.338 1.00 52.12 O ATOM 312 CB PRO A 22 10.458 25.595 -10.906 1.00 75.23 C ATOM 313 CG PRO A 22 10.312 26.566 -12.027 1.00 23.40 C ATOM 314 CD PRO A 22 11.708 26.997 -12.384 1.00 53.15 C ATOM 0 HA PRO A 22 12.318 24.583 -10.282 1.00 62.22 H new ATOM 0 HB2 PRO A 22 9.624 24.894 -10.879 1.00 75.23 H new ATOM 0 HB3 PRO A 22 10.478 26.103 -9.942 1.00 75.23 H new ATOM 0 HG2 PRO A 22 9.815 26.105 -12.881 1.00 23.40 H new ATOM 0 HG3 PRO A 22 9.704 27.420 -11.727 1.00 23.40 H new ATOM 0 HD2 PRO A 22 11.804 27.207 -13.449 1.00 53.15 H new ATOM 0 HD3 PRO A 22 11.996 27.904 -11.853 1.00 53.15 H new ATOM 322 N GLN A 23 11.705 23.616 -13.255 1.00 11.44 N ATOM 323 CA GLN A 23 11.498 22.439 -14.090 1.00 45.30 C ATOM 324 C GLN A 23 12.414 21.298 -13.659 1.00 11.33 C ATOM 325 O GLN A 23 11.993 20.144 -13.592 1.00 14.24 O ATOM 326 CB GLN A 23 11.748 22.781 -15.560 1.00 54.10 C ATOM 327 CG GLN A 23 10.990 21.888 -16.529 1.00 54.32 C ATOM 328 CD GLN A 23 9.649 22.471 -16.933 1.00 24.42 C ATOM 329 OE1 GLN A 23 8.597 21.973 -16.532 1.00 21.24 O ATOM 330 NE2 GLN A 23 9.681 23.531 -17.731 1.00 12.30 N ATOM 0 H GLN A 23 11.989 24.452 -13.766 1.00 11.44 H new ATOM 0 HA GLN A 23 10.464 22.116 -13.969 1.00 45.30 H new ATOM 0 HB2 GLN A 23 11.464 23.818 -15.737 1.00 54.10 H new ATOM 0 HB3 GLN A 23 12.815 22.703 -15.766 1.00 54.10 H new ATOM 0 HG2 GLN A 23 11.596 21.729 -17.421 1.00 54.32 H new ATOM 0 HG3 GLN A 23 10.834 20.911 -16.071 1.00 54.32 H new ATOM 0 HE21 GLN A 23 10.576 23.911 -18.039 1.00 12.30 H new ATOM 0 HE22 GLN A 23 8.810 23.966 -18.036 1.00 12.30 H new ATOM 339 N GLU A 24 13.668 21.630 -13.368 1.00 61.10 N ATOM 340 CA GLU A 24 14.643 20.632 -12.944 1.00 72.44 C ATOM 341 C GLU A 24 14.771 20.607 -11.424 1.00 42.30 C ATOM 342 O GLU A 24 14.366 21.548 -10.740 1.00 40.42 O ATOM 343 CB GLU A 24 16.006 20.917 -13.578 1.00 22.32 C ATOM 344 CG GLU A 24 15.920 21.407 -15.013 1.00 72.35 C ATOM 345 CD GLU A 24 15.141 20.461 -15.907 1.00 14.12 C ATOM 346 OE1 GLU A 24 13.895 20.546 -15.916 1.00 54.52 O ATOM 347 OE2 GLU A 24 15.776 19.636 -16.596 1.00 10.12 O ATOM 0 H GLU A 24 14.032 22.581 -13.418 1.00 61.10 H new ATOM 0 HA GLU A 24 14.293 19.655 -13.277 1.00 72.44 H new ATOM 0 HB2 GLU A 24 16.527 21.664 -12.979 1.00 22.32 H new ATOM 0 HB3 GLU A 24 16.608 20.009 -13.549 1.00 22.32 H new ATOM 0 HG2 GLU A 24 15.447 22.389 -15.030 1.00 72.35 H new ATOM 0 HG3 GLU A 24 16.927 21.531 -15.412 1.00 72.35 H new ATOM 354 N LEU A 25 15.337 19.525 -10.901 1.00 71.03 N ATOM 355 CA LEU A 25 15.519 19.376 -9.462 1.00 11.44 C ATOM 356 C LEU A 25 16.978 19.593 -9.072 1.00 34.01 C ATOM 357 O LEU A 25 17.855 19.673 -9.931 1.00 54.24 O ATOM 358 CB LEU A 25 15.059 17.989 -9.010 1.00 1.10 C ATOM 359 CG LEU A 25 13.860 17.955 -8.062 1.00 0.13 C ATOM 360 CD1 LEU A 25 12.711 18.777 -8.625 1.00 31.14 C ATOM 361 CD2 LEU A 25 13.419 16.520 -7.811 1.00 2.45 C ATOM 0 H LEU A 25 15.678 18.738 -11.453 1.00 71.03 H new ATOM 0 HA LEU A 25 14.913 20.133 -8.964 1.00 11.44 H new ATOM 0 HB2 LEU A 25 14.813 17.403 -9.896 1.00 1.10 H new ATOM 0 HB3 LEU A 25 15.897 17.492 -8.522 1.00 1.10 H new ATOM 0 HG LEU A 25 14.161 18.393 -7.110 1.00 0.13 H new ATOM 0 HD11 LEU A 25 11.867 18.741 -7.937 1.00 31.14 H new ATOM 0 HD12 LEU A 25 13.032 19.811 -8.752 1.00 31.14 H new ATOM 0 HD13 LEU A 25 12.410 18.369 -9.590 1.00 31.14 H new ATOM 0 HD21 LEU A 25 12.565 16.515 -7.134 1.00 2.45 H new ATOM 0 HD22 LEU A 25 13.136 16.056 -8.756 1.00 2.45 H new ATOM 0 HD23 LEU A 25 14.240 15.960 -7.363 1.00 2.45 H new ATOM 373 N ALA A 26 17.230 19.685 -7.770 1.00 74.32 N ATOM 374 CA ALA A 26 18.582 19.887 -7.266 1.00 43.44 C ATOM 375 C ALA A 26 19.081 18.654 -6.522 1.00 25.31 C ATOM 376 O ALA A 26 18.296 17.917 -5.923 1.00 43.14 O ATOM 377 CB ALA A 26 18.630 21.109 -6.360 1.00 65.42 C ATOM 0 H ALA A 26 16.515 19.623 -7.045 1.00 74.32 H new ATOM 0 HA ALA A 26 19.240 20.054 -8.119 1.00 43.44 H new ATOM 0 HB1 ALA A 26 19.646 21.248 -5.990 1.00 65.42 H new ATOM 0 HB2 ALA A 26 18.324 21.991 -6.922 1.00 65.42 H new ATOM 0 HB3 ALA A 26 17.954 20.964 -5.517 1.00 65.42 H new ATOM 383 N LEU A 27 20.391 18.433 -6.563 1.00 52.23 N ATOM 384 CA LEU A 27 20.995 17.287 -5.893 1.00 2.34 C ATOM 385 C LEU A 27 21.704 17.717 -4.612 1.00 53.21 C ATOM 386 O LEU A 27 22.079 18.880 -4.459 1.00 21.40 O ATOM 387 CB LEU A 27 21.985 16.588 -6.827 1.00 13.44 C ATOM 388 CG LEU A 27 21.437 16.168 -8.191 1.00 25.30 C ATOM 389 CD1 LEU A 27 22.568 16.021 -9.197 1.00 61.24 C ATOM 390 CD2 LEU A 27 20.653 14.869 -8.074 1.00 22.13 C ATOM 0 H LEU A 27 21.055 19.033 -7.053 1.00 52.23 H new ATOM 0 HA LEU A 27 20.199 16.590 -5.630 1.00 2.34 H new ATOM 0 HB2 LEU A 27 22.834 17.253 -6.988 1.00 13.44 H new ATOM 0 HB3 LEU A 27 22.366 15.701 -6.322 1.00 13.44 H new ATOM 0 HG LEU A 27 20.761 16.946 -8.545 1.00 25.30 H new ATOM 0 HD11 LEU A 27 22.160 15.722 -10.162 1.00 61.24 H new ATOM 0 HD12 LEU A 27 23.087 16.974 -9.302 1.00 61.24 H new ATOM 0 HD13 LEU A 27 23.269 15.262 -8.848 1.00 61.24 H new ATOM 0 HD21 LEU A 27 20.270 14.585 -9.054 1.00 22.13 H new ATOM 0 HD22 LEU A 27 21.307 14.082 -7.698 1.00 22.13 H new ATOM 0 HD23 LEU A 27 19.819 15.008 -7.386 1.00 22.13 H new ATOM 402 N ARG A 28 21.885 16.771 -3.696 1.00 41.42 N ATOM 403 CA ARG A 28 22.550 17.052 -2.429 1.00 53.13 C ATOM 404 C ARG A 28 23.670 16.050 -2.169 1.00 64.35 C ATOM 405 O ARG A 28 23.460 14.838 -2.234 1.00 44.41 O ATOM 406 CB ARG A 28 21.541 17.014 -1.280 1.00 54.32 C ATOM 407 CG ARG A 28 20.462 18.080 -1.382 1.00 13.12 C ATOM 408 CD ARG A 28 20.913 19.391 -0.757 1.00 31.14 C ATOM 409 NE ARG A 28 19.787 20.174 -0.254 1.00 61.15 N ATOM 410 CZ ARG A 28 19.159 19.910 0.886 1.00 2.40 C ATOM 411 NH1 ARG A 28 19.545 18.890 1.639 1.00 65.42 N ATOM 412 NH2 ARG A 28 18.143 20.669 1.276 1.00 52.11 N ATOM 0 H ARG A 28 21.581 15.804 -3.807 1.00 41.42 H new ATOM 0 HA ARG A 28 22.985 18.050 -2.489 1.00 53.13 H new ATOM 0 HB2 ARG A 28 21.069 16.032 -1.255 1.00 54.32 H new ATOM 0 HB3 ARG A 28 22.073 17.136 -0.336 1.00 54.32 H new ATOM 0 HG2 ARG A 28 20.208 18.243 -2.429 1.00 13.12 H new ATOM 0 HG3 ARG A 28 19.557 17.731 -0.885 1.00 13.12 H new ATOM 0 HD2 ARG A 28 21.604 19.184 0.060 1.00 31.14 H new ATOM 0 HD3 ARG A 28 21.460 19.976 -1.497 1.00 31.14 H new ATOM 0 HE ARG A 28 19.465 20.967 -0.809 1.00 61.15 H new ATOM 0 HH11 ARG A 28 20.327 18.305 1.344 1.00 65.42 H new ATOM 0 HH12 ARG A 28 19.061 18.690 2.514 1.00 65.42 H new ATOM 0 HH21 ARG A 28 17.844 21.456 0.700 1.00 52.11 H new ATOM 0 HH22 ARG A 28 17.661 20.466 2.152 1.00 52.11 H new ATOM 426 N ARG A 29 24.861 16.563 -1.876 1.00 55.41 N ATOM 427 CA ARG A 29 26.014 15.714 -1.608 1.00 65.44 C ATOM 428 C ARG A 29 25.674 14.645 -0.573 1.00 44.24 C ATOM 429 O ARG A 29 25.054 14.933 0.449 1.00 22.12 O ATOM 430 CB ARG A 29 27.193 16.557 -1.118 1.00 71.12 C ATOM 431 CG ARG A 29 28.544 15.890 -1.318 1.00 40.14 C ATOM 432 CD ARG A 29 29.628 16.568 -0.495 1.00 15.34 C ATOM 433 NE ARG A 29 30.967 16.157 -0.907 1.00 32.10 N ATOM 434 CZ ARG A 29 32.066 16.848 -0.628 1.00 24.23 C ATOM 435 NH1 ARG A 29 31.986 17.978 0.061 1.00 23.33 N ATOM 436 NH2 ARG A 29 33.249 16.408 -1.038 1.00 5.45 N ATOM 0 H ARG A 29 25.052 17.563 -1.818 1.00 55.41 H new ATOM 0 HA ARG A 29 26.292 15.219 -2.538 1.00 65.44 H new ATOM 0 HB2 ARG A 29 27.188 17.513 -1.642 1.00 71.12 H new ATOM 0 HB3 ARG A 29 27.058 16.774 -0.058 1.00 71.12 H new ATOM 0 HG2 ARG A 29 28.477 14.839 -1.038 1.00 40.14 H new ATOM 0 HG3 ARG A 29 28.814 15.922 -2.374 1.00 40.14 H new ATOM 0 HD2 ARG A 29 29.535 17.649 -0.594 1.00 15.34 H new ATOM 0 HD3 ARG A 29 29.484 16.331 0.559 1.00 15.34 H new ATOM 0 HE ARG A 29 31.064 15.292 -1.438 1.00 32.10 H new ATOM 0 HH11 ARG A 29 31.078 18.319 0.378 1.00 23.33 H new ATOM 0 HH12 ARG A 29 32.832 18.507 0.274 1.00 23.33 H new ATOM 0 HH21 ARG A 29 33.314 15.539 -1.568 1.00 5.45 H new ATOM 0 HH22 ARG A 29 34.093 16.939 -0.824 1.00 5.45 H new ATOM 450 N ASN A 30 26.085 13.411 -0.848 1.00 11.14 N ATOM 451 CA ASN A 30 25.823 12.299 0.059 1.00 12.31 C ATOM 452 C ASN A 30 24.324 12.042 0.185 1.00 23.21 C ATOM 453 O ASN A 30 23.797 11.919 1.290 1.00 31.20 O ATOM 454 CB ASN A 30 26.420 12.587 1.438 1.00 31.01 C ATOM 455 CG ASN A 30 26.729 11.319 2.210 1.00 23.12 C ATOM 456 OD1 ASN A 30 26.689 10.218 1.660 1.00 52.41 O ATOM 457 ND2 ASN A 30 27.040 11.468 3.493 1.00 43.25 N ATOM 0 H ASN A 30 26.600 13.156 -1.691 1.00 11.14 H new ATOM 0 HA ASN A 30 26.294 11.407 -0.354 1.00 12.31 H new ATOM 0 HB2 ASN A 30 27.334 13.170 1.321 1.00 31.01 H new ATOM 0 HB3 ASN A 30 25.724 13.198 2.012 1.00 31.01 H new ATOM 0 HD21 ASN A 30 27.258 10.651 4.063 1.00 43.25 H new ATOM 0 HD22 ASN A 30 27.061 12.400 3.908 1.00 43.25 H new ATOM 464 N GLU A 31 23.645 11.961 -0.955 1.00 23.10 N ATOM 465 CA GLU A 31 22.208 11.718 -0.971 1.00 54.14 C ATOM 466 C GLU A 31 21.838 10.711 -2.057 1.00 42.52 C ATOM 467 O GLU A 31 22.615 10.466 -2.980 1.00 15.13 O ATOM 468 CB GLU A 31 21.449 13.028 -1.196 1.00 2.03 C ATOM 469 CG GLU A 31 19.969 12.939 -0.865 1.00 31.31 C ATOM 470 CD GLU A 31 19.715 12.444 0.546 1.00 63.42 C ATOM 471 OE1 GLU A 31 20.076 13.162 1.501 1.00 23.12 O ATOM 472 OE2 GLU A 31 19.155 11.337 0.694 1.00 41.22 O ATOM 0 H GLU A 31 24.067 12.060 -1.878 1.00 23.10 H new ATOM 0 HA GLU A 31 21.925 11.304 -0.003 1.00 54.14 H new ATOM 0 HB2 GLU A 31 21.902 13.810 -0.587 1.00 2.03 H new ATOM 0 HB3 GLU A 31 21.562 13.329 -2.237 1.00 2.03 H new ATOM 0 HG2 GLU A 31 19.513 13.921 -0.989 1.00 31.31 H new ATOM 0 HG3 GLU A 31 19.482 12.270 -1.574 1.00 31.31 H new ATOM 479 N GLU A 32 20.648 10.132 -1.938 1.00 74.04 N ATOM 480 CA GLU A 32 20.176 9.151 -2.909 1.00 1.02 C ATOM 481 C GLU A 32 18.941 9.663 -3.644 1.00 13.22 C ATOM 482 O GLU A 32 18.227 10.536 -3.148 1.00 64.31 O ATOM 483 CB GLU A 32 19.857 7.826 -2.214 1.00 33.13 C ATOM 484 CG GLU A 32 21.024 6.853 -2.191 1.00 51.43 C ATOM 485 CD GLU A 32 21.877 6.994 -0.945 1.00 54.23 C ATOM 486 OE1 GLU A 32 21.742 8.021 -0.248 1.00 14.33 O ATOM 487 OE2 GLU A 32 22.679 6.078 -0.668 1.00 14.20 O ATOM 0 H GLU A 32 19.993 10.325 -1.180 1.00 74.04 H new ATOM 0 HA GLU A 32 20.970 8.989 -3.638 1.00 1.02 H new ATOM 0 HB2 GLU A 32 19.544 8.029 -1.190 1.00 33.13 H new ATOM 0 HB3 GLU A 32 19.013 7.355 -2.718 1.00 33.13 H new ATOM 0 HG2 GLU A 32 20.643 5.833 -2.253 1.00 51.43 H new ATOM 0 HG3 GLU A 32 21.645 7.015 -3.072 1.00 51.43 H new ATOM 494 N TYR A 33 18.695 9.115 -4.828 1.00 60.15 N ATOM 495 CA TYR A 33 17.548 9.518 -5.634 1.00 23.40 C ATOM 496 C TYR A 33 17.015 8.343 -6.448 1.00 33.32 C ATOM 497 O TYR A 33 17.772 7.651 -7.130 1.00 55.24 O ATOM 498 CB TYR A 33 17.933 10.667 -6.568 1.00 34.52 C ATOM 499 CG TYR A 33 18.322 11.934 -5.840 1.00 73.34 C ATOM 500 CD1 TYR A 33 17.358 12.848 -5.433 1.00 33.34 C ATOM 501 CD2 TYR A 33 19.653 12.218 -5.562 1.00 32.31 C ATOM 502 CE1 TYR A 33 17.708 14.007 -4.768 1.00 43.24 C ATOM 503 CE2 TYR A 33 20.013 13.374 -4.897 1.00 35.21 C ATOM 504 CZ TYR A 33 19.037 14.265 -4.502 1.00 51.54 C ATOM 505 OH TYR A 33 19.391 15.419 -3.841 1.00 63.01 O ATOM 0 H TYR A 33 19.274 8.390 -5.252 1.00 60.15 H new ATOM 0 HA TYR A 33 16.762 9.855 -4.959 1.00 23.40 H new ATOM 0 HB2 TYR A 33 18.764 10.350 -7.197 1.00 34.52 H new ATOM 0 HB3 TYR A 33 17.095 10.882 -7.231 1.00 34.52 H new ATOM 0 HD1 TYR A 33 16.317 12.649 -5.640 1.00 33.34 H new ATOM 0 HD2 TYR A 33 20.420 11.523 -5.871 1.00 32.31 H new ATOM 0 HE1 TYR A 33 16.946 14.707 -4.458 1.00 43.24 H new ATOM 0 HE2 TYR A 33 21.052 13.579 -4.688 1.00 35.21 H new ATOM 0 HH TYR A 33 19.853 15.190 -3.007 1.00 63.01 H new ATOM 515 N CYS A 34 15.707 8.124 -6.370 1.00 72.25 N ATOM 516 CA CYS A 34 15.070 7.033 -7.099 1.00 72.44 C ATOM 517 C CYS A 34 15.005 7.341 -8.592 1.00 21.52 C ATOM 518 O CYS A 34 14.204 8.167 -9.032 1.00 65.41 O ATOM 519 CB CYS A 34 13.662 6.782 -6.556 1.00 42.24 C ATOM 520 SG CYS A 34 13.484 5.223 -5.658 1.00 40.12 S ATOM 0 H CYS A 34 15.067 8.687 -5.810 1.00 72.25 H new ATOM 0 HA CYS A 34 15.671 6.135 -6.958 1.00 72.44 H new ATOM 0 HB2 CYS A 34 13.388 7.603 -5.894 1.00 42.24 H new ATOM 0 HB3 CYS A 34 12.957 6.793 -7.387 1.00 42.24 H new ATOM 0 HG CYS A 34 12.260 5.102 -5.236 1.00 40.12 H new ATOM 526 N LEU A 35 15.853 6.673 -9.366 1.00 25.45 N ATOM 527 CA LEU A 35 15.894 6.876 -10.810 1.00 23.44 C ATOM 528 C LEU A 35 14.550 6.535 -11.446 1.00 3.14 C ATOM 529 O LEU A 35 13.948 5.506 -11.137 1.00 64.31 O ATOM 530 CB LEU A 35 16.998 6.020 -11.434 1.00 1.13 C ATOM 531 CG LEU A 35 17.671 6.597 -12.680 1.00 34.10 C ATOM 532 CD1 LEU A 35 16.666 6.736 -13.813 1.00 72.40 C ATOM 533 CD2 LEU A 35 18.312 7.941 -12.366 1.00 62.42 C ATOM 0 H LEU A 35 16.522 5.986 -9.018 1.00 25.45 H new ATOM 0 HA LEU A 35 16.108 7.928 -10.998 1.00 23.44 H new ATOM 0 HB2 LEU A 35 17.765 5.845 -10.679 1.00 1.13 H new ATOM 0 HB3 LEU A 35 16.576 5.048 -11.691 1.00 1.13 H new ATOM 0 HG LEU A 35 18.454 5.909 -12.998 1.00 34.10 H new ATOM 0 HD11 LEU A 35 17.163 7.148 -14.691 1.00 72.40 H new ATOM 0 HD12 LEU A 35 16.253 5.757 -14.055 1.00 72.40 H new ATOM 0 HD13 LEU A 35 15.861 7.403 -13.505 1.00 72.40 H new ATOM 0 HD21 LEU A 35 18.786 8.337 -13.264 1.00 62.42 H new ATOM 0 HD22 LEU A 35 17.547 8.638 -12.023 1.00 62.42 H new ATOM 0 HD23 LEU A 35 19.063 7.813 -11.586 1.00 62.42 H new ATOM 545 N LEU A 36 14.086 7.405 -12.336 1.00 70.31 N ATOM 546 CA LEU A 36 12.814 7.195 -13.018 1.00 54.43 C ATOM 547 C LEU A 36 13.009 7.136 -14.530 1.00 5.32 C ATOM 548 O LEU A 36 12.533 6.214 -15.192 1.00 52.30 O ATOM 549 CB LEU A 36 11.832 8.313 -12.663 1.00 40.50 C ATOM 550 CG LEU A 36 11.698 8.642 -11.176 1.00 23.34 C ATOM 551 CD1 LEU A 36 11.303 10.098 -10.984 1.00 34.43 C ATOM 552 CD2 LEU A 36 10.684 7.720 -10.515 1.00 74.12 C ATOM 0 H LEU A 36 14.571 8.262 -12.602 1.00 70.31 H new ATOM 0 HA LEU A 36 12.405 6.241 -12.685 1.00 54.43 H new ATOM 0 HB2 LEU A 36 12.137 9.218 -13.189 1.00 40.50 H new ATOM 0 HB3 LEU A 36 10.848 8.040 -13.044 1.00 40.50 H new ATOM 0 HG LEU A 36 12.666 8.485 -10.700 1.00 23.34 H new ATOM 0 HD11 LEU A 36 11.213 10.313 -9.919 1.00 34.43 H new ATOM 0 HD12 LEU A 36 12.066 10.743 -11.421 1.00 34.43 H new ATOM 0 HD13 LEU A 36 10.347 10.283 -11.474 1.00 34.43 H new ATOM 0 HD21 LEU A 36 10.602 7.969 -9.457 1.00 74.12 H new ATOM 0 HD22 LEU A 36 9.713 7.845 -10.994 1.00 74.12 H new ATOM 0 HD23 LEU A 36 11.010 6.685 -10.620 1.00 74.12 H new ATOM 564 N ASP A 37 13.715 8.124 -15.069 1.00 2.43 N ATOM 565 CA ASP A 37 13.977 8.183 -16.502 1.00 4.40 C ATOM 566 C ASP A 37 15.437 8.536 -16.773 1.00 54.14 C ATOM 567 O ASP A 37 15.912 9.600 -16.378 1.00 42.30 O ATOM 568 CB ASP A 37 13.059 9.209 -17.168 1.00 44.42 C ATOM 569 CG ASP A 37 12.369 8.656 -18.399 1.00 64.34 C ATOM 570 OD1 ASP A 37 13.077 8.194 -19.319 1.00 40.24 O ATOM 571 OD2 ASP A 37 11.122 8.683 -18.443 1.00 31.05 O ATOM 0 H ASP A 37 14.116 8.895 -14.535 1.00 2.43 H new ATOM 0 HA ASP A 37 13.775 7.199 -16.925 1.00 4.40 H new ATOM 0 HB2 ASP A 37 12.307 9.539 -16.451 1.00 44.42 H new ATOM 0 HB3 ASP A 37 13.642 10.087 -17.446 1.00 44.42 H new ATOM 576 N SER A 38 16.142 7.635 -17.449 1.00 60.15 N ATOM 577 CA SER A 38 17.549 7.849 -17.769 1.00 75.45 C ATOM 578 C SER A 38 17.797 7.682 -19.266 1.00 14.14 C ATOM 579 O SER A 38 18.237 6.626 -19.719 1.00 75.23 O ATOM 580 CB SER A 38 18.426 6.872 -16.984 1.00 2.43 C ATOM 581 OG SER A 38 17.806 5.603 -16.874 1.00 55.23 O ATOM 0 H SER A 38 15.763 6.750 -17.786 1.00 60.15 H new ATOM 0 HA SER A 38 17.810 8.869 -17.486 1.00 75.45 H new ATOM 0 HB2 SER A 38 19.391 6.767 -17.479 1.00 2.43 H new ATOM 0 HB3 SER A 38 18.621 7.272 -15.989 1.00 2.43 H new ATOM 0 HG SER A 38 18.388 4.997 -16.369 1.00 55.23 H new ATOM 587 N SER A 39 17.511 8.733 -20.027 1.00 10.50 N ATOM 588 CA SER A 39 17.699 8.704 -21.473 1.00 31.13 C ATOM 589 C SER A 39 19.144 9.027 -21.839 1.00 41.14 C ATOM 590 O SER A 39 19.736 8.379 -22.702 1.00 22.25 O ATOM 591 CB SER A 39 16.754 9.698 -22.151 1.00 62.45 C ATOM 592 OG SER A 39 16.634 9.423 -23.537 1.00 25.15 O ATOM 0 H SER A 39 17.148 9.616 -19.667 1.00 10.50 H new ATOM 0 HA SER A 39 17.470 7.698 -21.825 1.00 31.13 H new ATOM 0 HB2 SER A 39 15.772 9.650 -21.681 1.00 62.45 H new ATOM 0 HB3 SER A 39 17.126 10.713 -22.009 1.00 62.45 H new ATOM 0 HG SER A 39 16.024 10.071 -23.947 1.00 25.15 H new ATOM 598 N GLU A 40 19.705 10.035 -21.178 1.00 31.54 N ATOM 599 CA GLU A 40 21.080 10.445 -21.434 1.00 64.34 C ATOM 600 C GLU A 40 21.595 11.352 -20.320 1.00 73.22 C ATOM 601 O GLU A 40 20.813 11.911 -19.551 1.00 0.33 O ATOM 602 CB GLU A 40 21.178 11.166 -22.780 1.00 62.03 C ATOM 603 CG GLU A 40 22.564 11.111 -23.401 1.00 72.43 C ATOM 604 CD GLU A 40 22.528 11.180 -24.916 1.00 34.13 C ATOM 605 OE1 GLU A 40 21.448 11.472 -25.471 1.00 60.42 O ATOM 606 OE2 GLU A 40 23.580 10.943 -25.545 1.00 71.41 O ATOM 0 H GLU A 40 19.228 10.582 -20.461 1.00 31.54 H new ATOM 0 HA GLU A 40 21.699 9.549 -21.464 1.00 64.34 H new ATOM 0 HB2 GLU A 40 20.461 10.724 -23.472 1.00 62.03 H new ATOM 0 HB3 GLU A 40 20.890 12.209 -22.646 1.00 62.03 H new ATOM 0 HG2 GLU A 40 23.163 11.937 -23.018 1.00 72.43 H new ATOM 0 HG3 GLU A 40 23.059 10.189 -23.095 1.00 72.43 H new ATOM 613 N ILE A 41 22.914 11.492 -20.241 1.00 34.44 N ATOM 614 CA ILE A 41 23.532 12.330 -19.222 1.00 3.52 C ATOM 615 C ILE A 41 22.989 13.754 -19.278 1.00 12.25 C ATOM 616 O ILE A 41 23.080 14.504 -18.305 1.00 24.22 O ATOM 617 CB ILE A 41 25.064 12.371 -19.380 1.00 12.13 C ATOM 618 CG1 ILE A 41 25.697 13.145 -18.222 1.00 4.20 C ATOM 619 CG2 ILE A 41 25.442 12.998 -20.713 1.00 42.02 C ATOM 620 CD1 ILE A 41 25.954 14.602 -18.538 1.00 13.11 C ATOM 0 H ILE A 41 23.575 11.036 -20.870 1.00 34.44 H new ATOM 0 HA ILE A 41 23.286 11.887 -18.257 1.00 3.52 H new ATOM 0 HB ILE A 41 25.444 11.350 -19.360 1.00 12.13 H new ATOM 0 HG12 ILE A 41 25.044 13.080 -17.352 1.00 4.20 H new ATOM 0 HG13 ILE A 41 26.639 12.669 -17.949 1.00 4.20 H new ATOM 0 HG21 ILE A 41 26.527 13.020 -20.810 1.00 42.02 H new ATOM 0 HG22 ILE A 41 25.017 12.409 -21.526 1.00 42.02 H new ATOM 0 HG23 ILE A 41 25.053 14.015 -20.760 1.00 42.02 H new ATOM 0 HD11 ILE A 41 26.403 15.088 -17.672 1.00 13.11 H new ATOM 0 HD12 ILE A 41 26.632 14.676 -19.388 1.00 13.11 H new ATOM 0 HD13 ILE A 41 25.012 15.093 -18.782 1.00 13.11 H new ATOM 632 N HIS A 42 22.421 14.121 -20.422 1.00 71.42 N ATOM 633 CA HIS A 42 21.860 15.454 -20.604 1.00 54.55 C ATOM 634 C HIS A 42 20.844 15.771 -19.511 1.00 21.34 C ATOM 635 O HIS A 42 20.876 16.846 -18.913 1.00 2.40 O ATOM 636 CB HIS A 42 21.199 15.569 -21.979 1.00 11.35 C ATOM 637 CG HIS A 42 22.086 15.143 -23.107 1.00 43.33 C ATOM 638 ND1 HIS A 42 23.463 15.163 -23.031 1.00 30.31 N ATOM 639 CD2 HIS A 42 21.786 14.683 -24.344 1.00 41.03 C ATOM 640 CE1 HIS A 42 23.971 14.734 -24.173 1.00 2.44 C ATOM 641 NE2 HIS A 42 22.975 14.436 -24.987 1.00 14.45 N ATOM 0 H HIS A 42 22.337 13.513 -21.237 1.00 71.42 H new ATOM 0 HA HIS A 42 22.675 16.175 -20.538 1.00 54.55 H new ATOM 0 HB2 HIS A 42 20.294 14.962 -21.990 1.00 11.35 H new ATOM 0 HB3 HIS A 42 20.891 16.602 -22.140 1.00 11.35 H new ATOM 0 HD2 HIS A 42 20.796 14.537 -24.750 1.00 41.03 H new ATOM 0 HE1 HIS A 42 25.023 14.643 -24.402 1.00 2.44 H new ATOM 0 HE2 HIS A 42 23.072 14.080 -25.938 1.00 14.45 H new ATOM 649 N TRP A 43 19.945 14.828 -19.255 1.00 75.21 N ATOM 650 CA TRP A 43 18.919 15.007 -18.233 1.00 70.25 C ATOM 651 C TRP A 43 18.479 13.663 -17.662 1.00 42.33 C ATOM 652 O TRP A 43 18.134 12.746 -18.407 1.00 34.35 O ATOM 653 CB TRP A 43 17.714 15.747 -18.816 1.00 34.41 C ATOM 654 CG TRP A 43 17.057 15.014 -19.946 1.00 54.15 C ATOM 655 CD1 TRP A 43 17.292 15.186 -21.281 1.00 31.42 C ATOM 656 CD2 TRP A 43 16.055 13.996 -19.841 1.00 43.22 C ATOM 657 NE1 TRP A 43 16.497 14.336 -22.011 1.00 61.44 N ATOM 658 CE2 TRP A 43 15.730 13.595 -21.152 1.00 20.33 C ATOM 659 CE3 TRP A 43 15.403 13.383 -18.768 1.00 4.42 C ATOM 660 CZ2 TRP A 43 14.781 12.610 -21.414 1.00 43.13 C ATOM 661 CZ3 TRP A 43 14.462 12.407 -19.030 1.00 72.42 C ATOM 662 CH2 TRP A 43 14.158 12.027 -20.344 1.00 44.05 C ATOM 0 H TRP A 43 19.905 13.932 -19.740 1.00 75.21 H new ATOM 0 HA TRP A 43 19.345 15.601 -17.425 1.00 70.25 H new ATOM 0 HB2 TRP A 43 16.982 15.914 -18.026 1.00 34.41 H new ATOM 0 HB3 TRP A 43 18.034 16.728 -19.166 1.00 34.41 H new ATOM 0 HD1 TRP A 43 17.999 15.887 -21.700 1.00 31.42 H new ATOM 0 HE1 TRP A 43 16.481 14.268 -23.029 1.00 61.44 H new ATOM 0 HE3 TRP A 43 15.631 13.668 -17.751 1.00 4.42 H new ATOM 0 HZ2 TRP A 43 14.545 12.316 -22.426 1.00 43.13 H new ATOM 0 HZ3 TRP A 43 13.951 11.928 -18.208 1.00 72.42 H new ATOM 0 HH2 TRP A 43 13.418 11.259 -20.516 1.00 44.05 H new ATOM 673 N TRP A 44 18.494 13.555 -16.339 1.00 23.21 N ATOM 674 CA TRP A 44 18.096 12.322 -15.669 1.00 23.13 C ATOM 675 C TRP A 44 16.951 12.577 -14.695 1.00 22.11 C ATOM 676 O TRP A 44 17.101 13.325 -13.729 1.00 11.31 O ATOM 677 CB TRP A 44 19.287 11.713 -14.927 1.00 3.24 C ATOM 678 CG TRP A 44 20.012 10.669 -15.721 1.00 52.34 C ATOM 679 CD1 TRP A 44 20.074 10.571 -17.082 1.00 55.42 C ATOM 680 CD2 TRP A 44 20.775 9.575 -15.203 1.00 65.43 C ATOM 681 NE1 TRP A 44 20.830 9.482 -17.441 1.00 73.23 N ATOM 682 CE2 TRP A 44 21.272 8.854 -16.307 1.00 45.21 C ATOM 683 CE3 TRP A 44 21.090 9.134 -13.915 1.00 14.11 C ATOM 684 CZ2 TRP A 44 22.064 7.719 -16.159 1.00 22.51 C ATOM 685 CZ3 TRP A 44 21.875 8.007 -13.770 1.00 22.44 C ATOM 686 CH2 TRP A 44 22.356 7.310 -14.886 1.00 60.40 C ATOM 0 H TRP A 44 18.777 14.305 -15.709 1.00 23.21 H new ATOM 0 HA TRP A 44 17.753 11.620 -16.429 1.00 23.13 H new ATOM 0 HB2 TRP A 44 19.985 12.507 -14.662 1.00 3.24 H new ATOM 0 HB3 TRP A 44 18.937 11.271 -13.994 1.00 3.24 H new ATOM 0 HD1 TRP A 44 19.598 11.250 -17.774 1.00 55.42 H new ATOM 0 HE1 TRP A 44 21.030 9.189 -18.397 1.00 73.23 H new ATOM 0 HE3 TRP A 44 20.726 9.665 -13.048 1.00 14.11 H new ATOM 0 HZ2 TRP A 44 22.435 7.180 -17.018 1.00 22.51 H new ATOM 0 HZ3 TRP A 44 22.122 7.657 -12.779 1.00 22.44 H new ATOM 0 HH2 TRP A 44 22.969 6.433 -14.739 1.00 60.40 H new ATOM 697 N ARG A 45 15.808 11.950 -14.955 1.00 3.41 N ATOM 698 CA ARG A 45 14.638 12.111 -14.101 1.00 54.01 C ATOM 699 C ARG A 45 14.729 11.205 -12.877 1.00 22.12 C ATOM 700 O ARG A 45 14.757 9.980 -12.998 1.00 53.24 O ATOM 701 CB ARG A 45 13.361 11.799 -14.885 1.00 45.41 C ATOM 702 CG ARG A 45 12.506 13.024 -15.168 1.00 30.45 C ATOM 703 CD ARG A 45 11.351 13.135 -14.184 1.00 43.13 C ATOM 704 NE ARG A 45 10.167 13.732 -14.796 1.00 41.11 N ATOM 705 CZ ARG A 45 9.189 14.301 -14.101 1.00 53.41 C ATOM 706 NH1 ARG A 45 9.253 14.351 -12.778 1.00 1.12 N ATOM 707 NH2 ARG A 45 8.143 14.823 -14.730 1.00 61.10 N ATOM 0 H ARG A 45 15.668 11.326 -15.750 1.00 3.41 H new ATOM 0 HA ARG A 45 14.606 13.147 -13.764 1.00 54.01 H new ATOM 0 HB2 ARG A 45 13.631 11.328 -15.830 1.00 45.41 H new ATOM 0 HB3 ARG A 45 12.769 11.074 -14.326 1.00 45.41 H new ATOM 0 HG2 ARG A 45 13.123 13.921 -15.110 1.00 30.45 H new ATOM 0 HG3 ARG A 45 12.116 12.970 -16.184 1.00 30.45 H new ATOM 0 HD2 ARG A 45 11.102 12.144 -13.804 1.00 43.13 H new ATOM 0 HD3 ARG A 45 11.660 13.736 -13.329 1.00 43.13 H new ATOM 0 HE ARG A 45 10.087 13.711 -15.813 1.00 41.11 H new ATOM 0 HH11 ARG A 45 10.055 13.952 -12.291 1.00 1.12 H new ATOM 0 HH12 ARG A 45 8.500 14.789 -12.247 1.00 1.12 H new ATOM 0 HH21 ARG A 45 8.090 14.787 -15.748 1.00 61.10 H new ATOM 0 HH22 ARG A 45 7.392 15.260 -14.195 1.00 61.10 H new ATOM 721 N VAL A 46 14.777 11.816 -11.697 1.00 74.31 N ATOM 722 CA VAL A 46 14.865 11.065 -10.450 1.00 75.24 C ATOM 723 C VAL A 46 13.864 11.584 -9.424 1.00 75.14 C ATOM 724 O VAL A 46 13.320 12.678 -9.573 1.00 32.15 O ATOM 725 CB VAL A 46 16.281 11.136 -9.851 1.00 5.42 C ATOM 726 CG1 VAL A 46 17.316 10.681 -10.869 1.00 31.44 C ATOM 727 CG2 VAL A 46 16.584 12.546 -9.366 1.00 53.30 C ATOM 0 H VAL A 46 14.756 12.829 -11.579 1.00 74.31 H new ATOM 0 HA VAL A 46 14.631 10.027 -10.688 1.00 75.24 H new ATOM 0 HB VAL A 46 16.328 10.463 -8.995 1.00 5.42 H new ATOM 0 HG11 VAL A 46 18.311 10.738 -10.427 1.00 31.44 H new ATOM 0 HG12 VAL A 46 17.109 9.652 -11.164 1.00 31.44 H new ATOM 0 HG13 VAL A 46 17.271 11.326 -11.747 1.00 31.44 H new ATOM 0 HG21 VAL A 46 17.589 12.578 -8.945 1.00 53.30 H new ATOM 0 HG22 VAL A 46 16.519 13.241 -10.203 1.00 53.30 H new ATOM 0 HG23 VAL A 46 15.862 12.831 -8.601 1.00 53.30 H new ATOM 737 N GLN A 47 13.626 10.791 -8.384 1.00 52.42 N ATOM 738 CA GLN A 47 12.689 11.172 -7.333 1.00 65.51 C ATOM 739 C GLN A 47 13.377 11.188 -5.972 1.00 34.54 C ATOM 740 O GLN A 47 14.154 10.289 -5.647 1.00 15.41 O ATOM 741 CB GLN A 47 11.501 10.209 -7.307 1.00 23.43 C ATOM 742 CG GLN A 47 10.548 10.450 -6.148 1.00 12.53 C ATOM 743 CD GLN A 47 10.544 9.311 -5.148 1.00 11.24 C ATOM 744 OE1 GLN A 47 11.581 8.706 -4.874 1.00 41.32 O ATOM 745 NE2 GLN A 47 9.374 9.012 -4.595 1.00 41.01 N ATOM 0 H GLN A 47 14.068 9.882 -8.247 1.00 52.42 H new ATOM 0 HA GLN A 47 12.327 12.177 -7.549 1.00 65.51 H new ATOM 0 HB2 GLN A 47 10.951 10.299 -8.244 1.00 23.43 H new ATOM 0 HB3 GLN A 47 11.874 9.186 -7.253 1.00 23.43 H new ATOM 0 HG2 GLN A 47 10.826 11.373 -5.640 1.00 12.53 H new ATOM 0 HG3 GLN A 47 9.539 10.591 -6.536 1.00 12.53 H new ATOM 0 HE21 GLN A 47 8.539 9.539 -4.851 1.00 41.01 H new ATOM 0 HE22 GLN A 47 9.310 8.255 -3.914 1.00 41.01 H new ATOM 754 N ASP A 48 13.086 12.214 -5.180 1.00 34.32 N ATOM 755 CA ASP A 48 13.675 12.346 -3.852 1.00 50.45 C ATOM 756 C ASP A 48 12.979 11.426 -2.854 1.00 50.34 C ATOM 757 O ASP A 48 12.103 10.644 -3.223 1.00 30.30 O ATOM 758 CB ASP A 48 13.587 13.797 -3.375 1.00 24.21 C ATOM 759 CG ASP A 48 14.460 14.729 -4.192 1.00 53.14 C ATOM 760 OD1 ASP A 48 14.715 14.418 -5.374 1.00 65.42 O ATOM 761 OD2 ASP A 48 14.887 15.770 -3.650 1.00 64.21 O ATOM 0 H ASP A 48 12.446 12.966 -5.434 1.00 34.32 H new ATOM 0 HA ASP A 48 14.723 12.055 -3.916 1.00 50.45 H new ATOM 0 HB2 ASP A 48 12.551 14.132 -3.430 1.00 24.21 H new ATOM 0 HB3 ASP A 48 13.884 13.851 -2.328 1.00 24.21 H new ATOM 766 N ARG A 49 13.376 11.525 -1.590 1.00 14.42 N ATOM 767 CA ARG A 49 12.792 10.701 -0.539 1.00 74.51 C ATOM 768 C ARG A 49 11.644 11.432 0.151 1.00 33.51 C ATOM 769 O ARG A 49 11.243 11.074 1.258 1.00 63.42 O ATOM 770 CB ARG A 49 13.857 10.317 0.489 1.00 64.30 C ATOM 771 CG ARG A 49 15.146 9.803 -0.132 1.00 51.14 C ATOM 772 CD ARG A 49 15.568 8.475 0.477 1.00 13.30 C ATOM 773 NE ARG A 49 16.995 8.442 0.783 1.00 44.23 N ATOM 774 CZ ARG A 49 17.528 8.997 1.866 1.00 20.40 C ATOM 775 NH1 ARG A 49 16.755 9.623 2.742 1.00 1.14 N ATOM 776 NH2 ARG A 49 18.836 8.924 2.075 1.00 44.43 N ATOM 0 H ARG A 49 14.100 12.168 -1.269 1.00 14.42 H new ATOM 0 HA ARG A 49 12.398 9.795 -1.000 1.00 74.51 H new ATOM 0 HB2 ARG A 49 14.083 11.186 1.107 1.00 64.30 H new ATOM 0 HB3 ARG A 49 13.452 9.551 1.151 1.00 64.30 H new ATOM 0 HG2 ARG A 49 15.011 9.685 -1.207 1.00 51.14 H new ATOM 0 HG3 ARG A 49 15.938 10.538 0.011 1.00 51.14 H new ATOM 0 HD2 ARG A 49 14.998 8.297 1.389 1.00 13.30 H new ATOM 0 HD3 ARG A 49 15.327 7.667 -0.213 1.00 13.30 H new ATOM 0 HE ARG A 49 17.617 7.967 0.129 1.00 44.23 H new ATOM 0 HH11 ARG A 49 15.749 9.679 2.585 1.00 1.14 H new ATOM 0 HH12 ARG A 49 17.166 10.048 3.573 1.00 1.14 H new ATOM 0 HH21 ARG A 49 19.434 8.441 1.404 1.00 44.43 H new ATOM 0 HH22 ARG A 49 19.244 9.350 2.907 1.00 44.43 H new ATOM 790 N ASN A 50 11.119 12.458 -0.511 1.00 24.11 N ATOM 791 CA ASN A 50 10.018 13.240 0.039 1.00 4.14 C ATOM 792 C ASN A 50 8.775 13.121 -0.837 1.00 44.54 C ATOM 793 O ASN A 50 7.651 13.282 -0.364 1.00 44.50 O ATOM 794 CB ASN A 50 10.425 14.709 0.171 1.00 10.30 C ATOM 795 CG ASN A 50 11.783 14.877 0.824 1.00 23.12 C ATOM 796 OD1 ASN A 50 11.884 15.041 2.040 1.00 13.12 O ATOM 797 ND2 ASN A 50 12.837 14.837 0.017 1.00 72.52 N ATOM 0 H ASN A 50 11.438 12.767 -1.429 1.00 24.11 H new ATOM 0 HA ASN A 50 9.783 12.845 1.027 1.00 4.14 H new ATOM 0 HB2 ASN A 50 10.441 15.169 -0.817 1.00 10.30 H new ATOM 0 HB3 ASN A 50 9.675 15.240 0.757 1.00 10.30 H new ATOM 0 HD21 ASN A 50 13.776 14.944 0.399 1.00 72.52 H new ATOM 0 HD22 ASN A 50 12.707 14.699 -0.985 1.00 72.52 H new ATOM 804 N GLY A 51 8.987 12.838 -2.119 1.00 73.22 N ATOM 805 CA GLY A 51 7.875 12.702 -3.042 1.00 32.22 C ATOM 806 C GLY A 51 7.923 13.722 -4.162 1.00 72.20 C ATOM 807 O GLY A 51 6.894 14.058 -4.750 1.00 64.33 O ATOM 0 H GLY A 51 9.908 12.701 -2.535 1.00 73.22 H new ATOM 0 HA2 GLY A 51 7.881 11.699 -3.468 1.00 32.22 H new ATOM 0 HA3 GLY A 51 6.938 12.811 -2.496 1.00 32.22 H new ATOM 811 N HIS A 52 9.120 14.218 -4.458 1.00 21.13 N ATOM 812 CA HIS A 52 9.298 15.207 -5.515 1.00 10.23 C ATOM 813 C HIS A 52 10.205 14.668 -6.617 1.00 32.32 C ATOM 814 O HIS A 52 11.345 14.282 -6.361 1.00 40.31 O ATOM 815 CB HIS A 52 9.885 16.497 -4.941 1.00 52.32 C ATOM 816 CG HIS A 52 9.177 16.984 -3.714 1.00 74.15 C ATOM 817 ND1 HIS A 52 9.722 16.907 -2.450 1.00 42.44 N ATOM 818 CD2 HIS A 52 7.960 17.558 -3.563 1.00 60.44 C ATOM 819 CE1 HIS A 52 8.871 17.411 -1.575 1.00 2.43 C ATOM 820 NE2 HIS A 52 7.794 17.813 -2.225 1.00 12.55 N ATOM 0 H HIS A 52 9.981 13.951 -3.981 1.00 21.13 H new ATOM 0 HA HIS A 52 8.320 15.421 -5.946 1.00 10.23 H new ATOM 0 HB2 HIS A 52 10.936 16.334 -4.703 1.00 52.32 H new ATOM 0 HB3 HIS A 52 9.848 17.274 -5.704 1.00 52.32 H new ATOM 0 HD2 HIS A 52 7.252 17.775 -4.349 1.00 60.44 H new ATOM 0 HE1 HIS A 52 9.029 17.482 -0.509 1.00 2.43 H new ATOM 0 HE2 HIS A 52 6.972 18.243 -1.801 1.00 12.55 H new ATOM 828 N GLU A 53 9.689 14.643 -7.842 1.00 2.22 N ATOM 829 CA GLU A 53 10.453 14.149 -8.982 1.00 11.24 C ATOM 830 C GLU A 53 10.873 15.298 -9.894 1.00 23.01 C ATOM 831 O GLU A 53 10.085 16.198 -10.180 1.00 41.21 O ATOM 832 CB GLU A 53 9.630 13.130 -9.772 1.00 54.45 C ATOM 833 CG GLU A 53 8.865 12.153 -8.895 1.00 43.04 C ATOM 834 CD GLU A 53 8.239 11.023 -9.689 1.00 43.15 C ATOM 835 OE1 GLU A 53 7.699 11.295 -10.782 1.00 64.04 O ATOM 836 OE2 GLU A 53 8.289 9.868 -9.219 1.00 32.35 O ATOM 0 H GLU A 53 8.746 14.959 -8.070 1.00 2.22 H new ATOM 0 HA GLU A 53 11.352 13.663 -8.602 1.00 11.24 H new ATOM 0 HB2 GLU A 53 8.924 13.662 -10.410 1.00 54.45 H new ATOM 0 HB3 GLU A 53 10.295 12.571 -10.430 1.00 54.45 H new ATOM 0 HG2 GLU A 53 9.540 11.736 -8.147 1.00 43.04 H new ATOM 0 HG3 GLU A 53 8.084 12.689 -8.356 1.00 43.04 H new ATOM 843 N GLY A 54 12.123 15.259 -10.347 1.00 53.41 N ATOM 844 CA GLY A 54 12.627 16.302 -11.221 1.00 43.13 C ATOM 845 C GLY A 54 13.775 15.826 -12.090 1.00 34.32 C ATOM 846 O GLY A 54 14.105 14.640 -12.098 1.00 24.21 O ATOM 0 H GLY A 54 12.795 14.524 -10.124 1.00 53.41 H new ATOM 0 HA2 GLY A 54 11.818 16.661 -11.857 1.00 43.13 H new ATOM 0 HA3 GLY A 54 12.958 17.148 -10.619 1.00 43.13 H new ATOM 850 N TYR A 55 14.382 16.751 -12.824 1.00 61.12 N ATOM 851 CA TYR A 55 15.496 16.418 -13.704 1.00 5.42 C ATOM 852 C TYR A 55 16.827 16.814 -13.071 1.00 10.31 C ATOM 853 O TYR A 55 16.918 17.819 -12.365 1.00 34.43 O ATOM 854 CB TYR A 55 15.333 17.117 -15.055 1.00 5.24 C ATOM 855 CG TYR A 55 14.117 16.662 -15.829 1.00 65.32 C ATOM 856 CD1 TYR A 55 12.841 17.065 -15.457 1.00 1.24 C ATOM 857 CD2 TYR A 55 14.245 15.827 -16.933 1.00 14.33 C ATOM 858 CE1 TYR A 55 11.727 16.651 -16.161 1.00 10.13 C ATOM 859 CE2 TYR A 55 13.136 15.409 -17.644 1.00 3.53 C ATOM 860 CZ TYR A 55 11.880 15.824 -17.254 1.00 32.23 C ATOM 861 OH TYR A 55 10.773 15.409 -17.958 1.00 62.55 O ATOM 0 H TYR A 55 14.122 17.737 -12.827 1.00 61.12 H new ATOM 0 HA TYR A 55 15.494 15.339 -13.858 1.00 5.42 H new ATOM 0 HB2 TYR A 55 15.268 18.193 -14.893 1.00 5.24 H new ATOM 0 HB3 TYR A 55 16.224 16.939 -15.657 1.00 5.24 H new ATOM 0 HD1 TYR A 55 12.718 17.713 -14.602 1.00 1.24 H new ATOM 0 HD2 TYR A 55 15.227 15.500 -17.240 1.00 14.33 H new ATOM 0 HE1 TYR A 55 10.742 16.973 -15.857 1.00 10.13 H new ATOM 0 HE2 TYR A 55 13.252 14.761 -18.500 1.00 3.53 H new ATOM 0 HH TYR A 55 11.054 14.832 -18.699 1.00 62.55 H new ATOM 871 N VAL A 56 17.859 16.017 -13.330 1.00 54.11 N ATOM 872 CA VAL A 56 19.186 16.284 -12.788 1.00 72.44 C ATOM 873 C VAL A 56 20.272 15.687 -13.677 1.00 12.14 C ATOM 874 O VAL A 56 20.051 14.718 -14.404 1.00 3.42 O ATOM 875 CB VAL A 56 19.335 15.717 -11.364 1.00 14.32 C ATOM 876 CG1 VAL A 56 18.608 16.599 -10.360 1.00 0.31 C ATOM 877 CG2 VAL A 56 18.818 14.288 -11.302 1.00 74.04 C ATOM 0 H VAL A 56 17.801 15.181 -13.912 1.00 54.11 H new ATOM 0 HA VAL A 56 19.302 17.367 -12.754 1.00 72.44 H new ATOM 0 HB VAL A 56 20.394 15.707 -11.105 1.00 14.32 H new ATOM 0 HG11 VAL A 56 18.724 16.183 -9.359 1.00 0.31 H new ATOM 0 HG12 VAL A 56 19.029 17.604 -10.386 1.00 0.31 H new ATOM 0 HG13 VAL A 56 17.549 16.643 -10.614 1.00 0.31 H new ATOM 0 HG21 VAL A 56 18.931 13.904 -10.288 1.00 74.04 H new ATOM 0 HG22 VAL A 56 17.765 14.270 -11.581 1.00 74.04 H new ATOM 0 HG23 VAL A 56 19.387 13.665 -11.992 1.00 74.04 H new ATOM 887 N PRO A 57 21.475 16.278 -13.618 1.00 33.42 N ATOM 888 CA PRO A 57 22.620 15.821 -14.410 1.00 25.51 C ATOM 889 C PRO A 57 23.151 14.471 -13.937 1.00 12.40 C ATOM 890 O PRO A 57 23.466 14.295 -12.760 1.00 53.41 O ATOM 891 CB PRO A 57 23.667 16.915 -14.185 1.00 14.14 C ATOM 892 CG PRO A 57 23.307 17.518 -12.870 1.00 65.44 C ATOM 893 CD PRO A 57 21.809 17.437 -12.773 1.00 61.42 C ATOM 0 HA PRO A 57 22.357 15.672 -15.457 1.00 25.51 H new ATOM 0 HB2 PRO A 57 24.675 16.501 -14.168 1.00 14.14 H new ATOM 0 HB3 PRO A 57 23.641 17.658 -14.982 1.00 14.14 H new ATOM 0 HG2 PRO A 57 23.781 16.978 -12.050 1.00 65.44 H new ATOM 0 HG3 PRO A 57 23.647 18.552 -12.809 1.00 65.44 H new ATOM 0 HD2 PRO A 57 21.480 17.292 -11.744 1.00 61.42 H new ATOM 0 HD3 PRO A 57 21.333 18.348 -13.135 1.00 61.42 H new ATOM 901 N SER A 58 23.248 13.522 -14.862 1.00 34.42 N ATOM 902 CA SER A 58 23.737 12.187 -14.538 1.00 70.42 C ATOM 903 C SER A 58 25.216 12.226 -14.165 1.00 33.12 C ATOM 904 O SER A 58 25.688 11.414 -13.369 1.00 62.13 O ATOM 905 CB SER A 58 23.523 11.241 -15.722 1.00 2.21 C ATOM 906 OG SER A 58 23.785 9.898 -15.355 1.00 73.42 O ATOM 0 H SER A 58 22.995 13.652 -15.841 1.00 34.42 H new ATOM 0 HA SER A 58 23.173 11.819 -13.681 1.00 70.42 H new ATOM 0 HB2 SER A 58 22.498 11.330 -16.082 1.00 2.21 H new ATOM 0 HB3 SER A 58 24.176 11.530 -16.545 1.00 2.21 H new ATOM 0 HG SER A 58 22.938 9.433 -15.190 1.00 73.42 H new ATOM 912 N SER A 59 25.941 13.176 -14.745 1.00 42.34 N ATOM 913 CA SER A 59 27.367 13.320 -14.478 1.00 3.44 C ATOM 914 C SER A 59 27.623 13.513 -12.986 1.00 22.42 C ATOM 915 O SER A 59 28.711 13.220 -12.488 1.00 73.23 O ATOM 916 CB SER A 59 27.938 14.504 -15.261 1.00 51.21 C ATOM 917 OG SER A 59 29.322 14.331 -15.511 1.00 30.13 O ATOM 0 H SER A 59 25.564 13.858 -15.403 1.00 42.34 H new ATOM 0 HA SER A 59 27.866 12.406 -14.800 1.00 3.44 H new ATOM 0 HB2 SER A 59 27.405 14.610 -16.206 1.00 51.21 H new ATOM 0 HB3 SER A 59 27.779 15.425 -14.700 1.00 51.21 H new ATOM 0 HG SER A 59 29.662 15.100 -16.014 1.00 30.13 H new ATOM 923 N TYR A 60 26.614 14.007 -12.278 1.00 33.31 N ATOM 924 CA TYR A 60 26.729 14.241 -10.843 1.00 74.14 C ATOM 925 C TYR A 60 25.971 13.177 -10.055 1.00 61.32 C ATOM 926 O TYR A 60 25.642 13.371 -8.884 1.00 61.02 O ATOM 927 CB TYR A 60 26.196 15.630 -10.488 1.00 3.10 C ATOM 928 CG TYR A 60 26.995 16.759 -11.099 1.00 3.24 C ATOM 929 CD1 TYR A 60 26.951 17.009 -12.465 1.00 31.24 C ATOM 930 CD2 TYR A 60 27.794 17.577 -10.309 1.00 1.31 C ATOM 931 CE1 TYR A 60 27.680 18.039 -13.027 1.00 31.33 C ATOM 932 CE2 TYR A 60 28.525 18.611 -10.862 1.00 64.42 C ATOM 933 CZ TYR A 60 28.465 18.837 -12.221 1.00 64.14 C ATOM 934 OH TYR A 60 29.192 19.865 -12.777 1.00 70.13 O ATOM 0 H TYR A 60 25.707 14.253 -12.674 1.00 33.31 H new ATOM 0 HA TYR A 60 27.784 14.184 -10.574 1.00 74.14 H new ATOM 0 HB2 TYR A 60 25.160 15.708 -10.819 1.00 3.10 H new ATOM 0 HB3 TYR A 60 26.193 15.743 -9.404 1.00 3.10 H new ATOM 0 HD1 TYR A 60 26.336 16.387 -13.099 1.00 31.24 H new ATOM 0 HD2 TYR A 60 27.844 17.401 -9.245 1.00 1.31 H new ATOM 0 HE1 TYR A 60 27.636 18.218 -14.091 1.00 31.33 H new ATOM 0 HE2 TYR A 60 29.140 19.238 -10.234 1.00 64.42 H new ATOM 0 HH TYR A 60 29.690 20.331 -12.074 1.00 70.13 H new ATOM 944 N LEU A 61 25.698 12.051 -10.705 1.00 40.05 N ATOM 945 CA LEU A 61 24.980 10.954 -10.067 1.00 33.51 C ATOM 946 C LEU A 61 25.636 9.614 -10.386 1.00 41.25 C ATOM 947 O LEU A 61 25.971 9.334 -11.538 1.00 35.24 O ATOM 948 CB LEU A 61 23.519 10.940 -10.522 1.00 44.32 C ATOM 949 CG LEU A 61 22.591 11.939 -9.830 1.00 5.20 C ATOM 950 CD1 LEU A 61 21.334 12.160 -10.656 1.00 13.13 C ATOM 951 CD2 LEU A 61 22.236 11.456 -8.432 1.00 34.04 C ATOM 0 H LEU A 61 25.963 11.874 -11.674 1.00 40.05 H new ATOM 0 HA LEU A 61 25.017 11.108 -8.989 1.00 33.51 H new ATOM 0 HB2 LEU A 61 23.492 11.132 -11.595 1.00 44.32 H new ATOM 0 HB3 LEU A 61 23.121 9.937 -10.367 1.00 44.32 H new ATOM 0 HG LEU A 61 23.114 12.891 -9.741 1.00 5.20 H new ATOM 0 HD11 LEU A 61 20.686 12.874 -10.148 1.00 13.13 H new ATOM 0 HD12 LEU A 61 21.607 12.551 -11.636 1.00 13.13 H new ATOM 0 HD13 LEU A 61 20.807 11.214 -10.777 1.00 13.13 H new ATOM 0 HD21 LEU A 61 21.575 12.179 -7.954 1.00 34.04 H new ATOM 0 HD22 LEU A 61 21.732 10.492 -8.497 1.00 34.04 H new ATOM 0 HD23 LEU A 61 23.146 11.351 -7.841 1.00 34.04 H new ATOM 963 N VAL A 62 25.816 8.789 -9.360 1.00 12.12 N ATOM 964 CA VAL A 62 26.429 7.477 -9.531 1.00 52.55 C ATOM 965 C VAL A 62 25.409 6.363 -9.327 1.00 53.10 C ATOM 966 O VAL A 62 24.592 6.417 -8.408 1.00 43.20 O ATOM 967 CB VAL A 62 27.600 7.273 -8.552 1.00 33.30 C ATOM 968 CG1 VAL A 62 27.083 7.087 -7.133 1.00 62.24 C ATOM 969 CG2 VAL A 62 28.449 6.085 -8.979 1.00 3.13 C ATOM 0 H VAL A 62 25.546 9.006 -8.401 1.00 12.12 H new ATOM 0 HA VAL A 62 26.808 7.435 -10.552 1.00 52.55 H new ATOM 0 HB VAL A 62 28.227 8.164 -8.571 1.00 33.30 H new ATOM 0 HG11 VAL A 62 27.924 6.944 -6.455 1.00 62.24 H new ATOM 0 HG12 VAL A 62 26.520 7.971 -6.832 1.00 62.24 H new ATOM 0 HG13 VAL A 62 26.433 6.213 -7.094 1.00 62.24 H new ATOM 0 HG21 VAL A 62 29.272 5.955 -8.276 1.00 3.13 H new ATOM 0 HG22 VAL A 62 27.835 5.184 -8.990 1.00 3.13 H new ATOM 0 HG23 VAL A 62 28.849 6.264 -9.977 1.00 3.13 H new ATOM 979 N GLU A 63 25.462 5.353 -10.190 1.00 45.30 N ATOM 980 CA GLU A 63 24.542 4.226 -10.104 1.00 21.34 C ATOM 981 C GLU A 63 24.732 3.468 -8.793 1.00 35.04 C ATOM 982 O GLU A 63 25.783 2.875 -8.551 1.00 2.11 O ATOM 983 CB GLU A 63 24.749 3.278 -11.287 1.00 55.33 C ATOM 984 CG GLU A 63 23.468 2.952 -12.037 1.00 15.53 C ATOM 985 CD GLU A 63 23.547 1.635 -12.783 1.00 21.44 C ATOM 986 OE1 GLU A 63 24.108 1.618 -13.899 1.00 15.33 O ATOM 987 OE2 GLU A 63 23.049 0.620 -12.251 1.00 43.41 O ATOM 0 H GLU A 63 26.132 5.293 -10.956 1.00 45.30 H new ATOM 0 HA GLU A 63 23.525 4.617 -10.135 1.00 21.34 H new ATOM 0 HB2 GLU A 63 25.462 3.725 -11.980 1.00 55.33 H new ATOM 0 HB3 GLU A 63 25.194 2.351 -10.925 1.00 55.33 H new ATOM 0 HG2 GLU A 63 22.638 2.916 -11.332 1.00 15.53 H new ATOM 0 HG3 GLU A 63 23.252 3.753 -12.744 1.00 15.53 H new ATOM 994 N LYS A 64 23.706 3.493 -7.948 1.00 72.44 N ATOM 995 CA LYS A 64 23.757 2.808 -6.662 1.00 14.52 C ATOM 996 C LYS A 64 23.592 1.302 -6.839 1.00 44.54 C ATOM 997 O LYS A 64 22.475 0.801 -6.964 1.00 63.24 O ATOM 998 CB LYS A 64 22.666 3.345 -5.732 1.00 54.03 C ATOM 999 CG LYS A 64 22.874 2.977 -4.274 1.00 21.35 C ATOM 1000 CD LYS A 64 22.201 1.659 -3.929 1.00 72.35 C ATOM 1001 CE LYS A 64 22.362 1.319 -2.456 1.00 33.43 C ATOM 1002 NZ LYS A 64 21.968 -0.088 -2.165 1.00 3.22 N ATOM 0 H LYS A 64 22.829 3.981 -8.131 1.00 72.44 H new ATOM 0 HA LYS A 64 24.733 2.998 -6.216 1.00 14.52 H new ATOM 0 HB2 LYS A 64 22.626 4.431 -5.822 1.00 54.03 H new ATOM 0 HB3 LYS A 64 21.700 2.962 -6.060 1.00 54.03 H new ATOM 0 HG2 LYS A 64 23.941 2.907 -4.064 1.00 21.35 H new ATOM 0 HG3 LYS A 64 22.475 3.767 -3.638 1.00 21.35 H new ATOM 0 HD2 LYS A 64 21.141 1.715 -4.177 1.00 72.35 H new ATOM 0 HD3 LYS A 64 22.629 0.861 -4.536 1.00 72.35 H new ATOM 0 HE2 LYS A 64 23.399 1.475 -2.159 1.00 33.43 H new ATOM 0 HE3 LYS A 64 21.754 1.998 -1.858 1.00 33.43 H new ATOM 0 HZ1 LYS A 64 22.092 -0.281 -1.151 1.00 3.22 H new ATOM 0 HZ2 LYS A 64 20.971 -0.230 -2.425 1.00 3.22 H new ATOM 0 HZ3 LYS A 64 22.565 -0.737 -2.716 1.00 3.22 H new