USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 72 SER OG : rot -66:sc= 0.552 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -1.68 F(o=-1.7,f=-1.1) USER MOD Set 2.1: A 74 MET CE :methyl -167:sc= -0.657 (180deg=-1.03) USER MOD Set 2.2: A 91 ASN : amide:sc= -2.27! C(o=-2.9!,f=-9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 168:sc= -1.3 USER MOD Single : A 22 ASN : amide:sc= -0.259 K(o=-0.26,f=-0.91) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -30:sc= 0.506 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -23:sc= 0.639! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0232 USER MOD Single : A 62 CYS SG : rot 108:sc= -1.89! USER MOD Single : A 64 TYR OH : rot 32:sc= 0.937 USER MOD Single : A 65 GLN : amide:sc=-0.00409 X(o=-0.0041,f=-0.02) USER MOD Single : A 67 GLN :FLIP amide:sc= -2.7! C(o=-3.9!,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 168:sc= 1.06 USER MOD Single : A 78 ASN : amide:sc= -0.837 K(o=-0.84,f=-1.4) USER MOD Single : A 94 SER OG : rot 91:sc= 0.00486 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -4.94! C(o=-4.9!,f=-4.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N SER A 14 1.948 8.607 -10.565 1.00 0.00 N ATOM 90 CA SER A 14 2.773 9.749 -10.922 1.00 0.00 C ATOM 91 C SER A 14 2.631 10.050 -12.415 1.00 0.00 C ATOM 92 O SER A 14 2.567 11.212 -12.814 1.00 0.00 O ATOM 93 CB SER A 14 4.240 9.500 -10.567 1.00 0.00 C ATOM 94 OG SER A 14 4.694 10.370 -9.534 1.00 0.00 O ATOM 0 HA SER A 14 2.431 10.612 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.366 8.465 -10.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.857 9.639 -11.455 1.00 0.00 H new ATOM 0 HG SER A 14 5.634 10.179 -9.335 1.00 0.00 H new ATOM 100 N LEU A 15 2.587 8.984 -13.200 1.00 0.00 N ATOM 101 CA LEU A 15 2.455 9.120 -14.641 1.00 0.00 C ATOM 102 C LEU A 15 1.048 9.620 -14.974 1.00 0.00 C ATOM 103 O LEU A 15 0.784 10.035 -16.102 1.00 0.00 O ATOM 104 CB LEU A 15 2.823 7.809 -15.339 1.00 0.00 C ATOM 105 CG LEU A 15 4.295 7.399 -15.263 1.00 0.00 C ATOM 106 CD1 LEU A 15 5.066 7.896 -16.487 1.00 0.00 C ATOM 107 CD2 LEU A 15 4.930 7.874 -13.954 1.00 0.00 C ATOM 0 H LEU A 15 2.640 8.022 -12.866 1.00 0.00 H new ATOM 0 HA LEU A 15 3.156 9.863 -15.020 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.221 7.009 -14.908 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.542 7.888 -16.389 1.00 0.00 H new ATOM 0 HG LEU A 15 4.347 6.310 -15.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.110 7.591 -16.408 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.630 7.468 -17.390 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.008 8.983 -16.536 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.976 7.569 -13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.866 8.960 -13.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.400 7.431 -13.111 1.00 0.00 H new ATOM 119 N ARG A 16 0.182 9.565 -13.973 1.00 0.00 N ATOM 120 CA ARG A 16 -1.191 10.007 -14.146 1.00 0.00 C ATOM 121 C ARG A 16 -1.449 11.271 -13.324 1.00 0.00 C ATOM 122 O ARG A 16 -2.093 11.215 -12.278 1.00 0.00 O ATOM 123 CB ARG A 16 -2.179 8.919 -13.719 1.00 0.00 C ATOM 124 CG ARG A 16 -2.400 7.907 -14.845 1.00 0.00 C ATOM 125 CD ARG A 16 -3.885 7.567 -14.993 1.00 0.00 C ATOM 126 NE ARG A 16 -4.540 7.573 -13.665 1.00 0.00 N ATOM 127 CZ ARG A 16 -4.573 6.519 -12.839 1.00 0.00 C ATOM 128 NH1 ARG A 16 -3.989 5.368 -13.198 1.00 0.00 N ATOM 129 NH2 ARG A 16 -5.190 6.616 -11.654 1.00 0.00 N ATOM 0 H ARG A 16 0.405 9.221 -13.039 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.339 10.221 -15.205 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.802 8.407 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.130 9.374 -13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.021 8.313 -15.783 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.834 6.999 -14.639 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.369 8.290 -15.650 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.998 6.588 -15.459 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.995 8.434 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.519 5.294 -14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.014 4.565 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.635 7.492 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.215 5.813 -11.025 1.00 0.00 H new ATOM 143 N SER A 17 -0.933 12.382 -13.829 1.00 0.00 N ATOM 144 CA SER A 17 -1.100 13.659 -13.154 1.00 0.00 C ATOM 145 C SER A 17 -0.312 14.745 -13.889 1.00 0.00 C ATOM 146 O SER A 17 0.775 14.488 -14.404 1.00 0.00 O ATOM 147 CB SER A 17 -0.650 13.573 -11.694 1.00 0.00 C ATOM 148 OG SER A 17 -1.681 13.969 -10.794 1.00 0.00 O ATOM 0 H SER A 17 -0.399 12.425 -14.697 1.00 0.00 H new ATOM 0 HA SER A 17 -2.159 13.916 -13.165 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.344 12.551 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.224 14.207 -11.546 1.00 0.00 H new ATOM 0 HG SER A 17 -1.431 13.719 -9.880 1.00 0.00 H new ATOM 154 N VAL A 18 -0.892 15.937 -13.914 1.00 0.00 N ATOM 155 CA VAL A 18 -0.258 17.063 -14.577 1.00 0.00 C ATOM 156 C VAL A 18 -0.132 18.226 -13.590 1.00 0.00 C ATOM 157 O VAL A 18 -1.120 18.644 -12.989 1.00 0.00 O ATOM 158 CB VAL A 18 -1.037 17.434 -15.840 1.00 0.00 C ATOM 159 CG1 VAL A 18 -0.370 16.850 -17.087 1.00 0.00 C ATOM 160 CG2 VAL A 18 -2.496 16.983 -15.737 1.00 0.00 C ATOM 0 H VAL A 18 -1.794 16.146 -13.486 1.00 0.00 H new ATOM 0 HA VAL A 18 0.749 16.798 -14.899 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.028 18.520 -15.932 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.944 17.129 -17.971 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.644 17.241 -17.174 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.334 15.764 -17.005 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.027 17.259 -16.648 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.534 15.901 -15.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.967 17.467 -14.881 1.00 0.00 H new ATOM 170 N PHE A 19 1.092 18.714 -13.453 1.00 0.00 N ATOM 171 CA PHE A 19 1.360 19.820 -12.549 1.00 0.00 C ATOM 172 C PHE A 19 0.855 21.141 -13.134 1.00 0.00 C ATOM 173 O PHE A 19 1.158 21.472 -14.279 1.00 0.00 O ATOM 174 CB PHE A 19 2.878 19.899 -12.376 1.00 0.00 C ATOM 175 CG PHE A 19 3.343 21.049 -11.481 1.00 0.00 C ATOM 176 CD1 PHE A 19 2.747 21.257 -10.277 1.00 0.00 C ATOM 177 CD2 PHE A 19 4.353 21.863 -11.889 1.00 0.00 C ATOM 178 CE1 PHE A 19 3.179 22.325 -9.446 1.00 0.00 C ATOM 179 CE2 PHE A 19 4.785 22.931 -11.058 1.00 0.00 C ATOM 180 CZ PHE A 19 4.188 23.139 -9.854 1.00 0.00 C ATOM 0 H PHE A 19 1.909 18.364 -13.953 1.00 0.00 H new ATOM 0 HA PHE A 19 0.851 19.656 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.235 18.958 -11.956 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.340 20.006 -13.357 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.945 20.610 -9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.827 21.697 -12.845 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.705 22.490 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.587 23.577 -11.382 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.516 23.951 -9.222 1.00 0.00 H new ATOM 190 N VAL A 20 0.095 21.859 -12.321 1.00 0.00 N ATOM 191 CA VAL A 20 -0.454 23.136 -12.743 1.00 0.00 C ATOM 192 C VAL A 20 0.142 24.252 -11.883 1.00 0.00 C ATOM 193 O VAL A 20 0.198 24.136 -10.660 1.00 0.00 O ATOM 194 CB VAL A 20 -1.983 23.092 -12.690 1.00 0.00 C ATOM 195 CG1 VAL A 20 -2.595 24.094 -13.671 1.00 0.00 C ATOM 196 CG2 VAL A 20 -2.500 21.677 -12.956 1.00 0.00 C ATOM 0 H VAL A 20 -0.154 21.581 -11.372 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.184 23.344 -13.778 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.292 23.378 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.682 24.042 -13.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.266 25.101 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.274 23.854 -14.684 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.589 21.673 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.175 21.351 -13.944 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.105 20.997 -12.201 1.00 0.00 H new ATOM 206 N GLY A 21 0.573 25.309 -12.557 1.00 0.00 N ATOM 207 CA GLY A 21 1.164 26.445 -11.870 1.00 0.00 C ATOM 208 C GLY A 21 0.815 27.755 -12.578 1.00 0.00 C ATOM 209 O GLY A 21 0.114 27.752 -13.589 1.00 0.00 O ATOM 0 H GLY A 21 0.525 25.402 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.808 26.478 -10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.247 26.327 -11.829 1.00 0.00 H new ATOM 213 N ASN A 22 1.321 28.845 -12.020 1.00 0.00 N ATOM 214 CA ASN A 22 1.072 30.160 -12.585 1.00 0.00 C ATOM 215 C ASN A 22 -0.430 30.447 -12.555 1.00 0.00 C ATOM 216 O ASN A 22 -0.952 31.137 -13.430 1.00 0.00 O ATOM 217 CB ASN A 22 1.538 30.231 -14.041 1.00 0.00 C ATOM 218 CG ASN A 22 1.966 31.653 -14.411 1.00 0.00 C ATOM 219 OD1 ASN A 22 2.591 32.361 -13.638 1.00 0.00 O ATOM 220 ND2 ASN A 22 1.598 32.028 -15.632 1.00 0.00 N ATOM 0 H ASN A 22 1.903 28.844 -11.182 1.00 0.00 H new ATOM 0 HA ASN A 22 1.623 30.891 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.371 29.545 -14.194 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.733 29.906 -14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.838 32.959 -15.974 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.076 31.385 -16.227 1.00 0.00 H new ATOM 227 N ILE A 23 -1.084 29.904 -11.539 1.00 0.00 N ATOM 228 CA ILE A 23 -2.516 30.093 -11.383 1.00 0.00 C ATOM 229 C ILE A 23 -2.772 31.207 -10.366 1.00 0.00 C ATOM 230 O ILE A 23 -2.075 31.302 -9.357 1.00 0.00 O ATOM 231 CB ILE A 23 -3.196 28.769 -11.029 1.00 0.00 C ATOM 232 CG1 ILE A 23 -2.459 27.587 -11.662 1.00 0.00 C ATOM 233 CG2 ILE A 23 -4.677 28.793 -11.413 1.00 0.00 C ATOM 234 CD1 ILE A 23 -3.017 26.256 -11.154 1.00 0.00 C ATOM 0 H ILE A 23 -0.648 29.333 -10.815 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.962 30.412 -12.325 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.146 28.638 -9.948 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.553 27.634 -12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.396 27.651 -11.431 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.136 27.840 -11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.179 29.598 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.772 28.958 -12.486 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.475 25.433 -11.620 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.899 26.201 -10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.075 26.184 -11.408 1.00 0.00 H new ATOM 246 N PRO A 24 -3.799 32.042 -10.675 1.00 0.00 N ATOM 247 CA PRO A 24 -4.155 33.146 -9.799 1.00 0.00 C ATOM 248 C PRO A 24 -4.892 32.644 -8.556 1.00 0.00 C ATOM 249 O PRO A 24 -4.835 31.458 -8.233 1.00 0.00 O ATOM 250 CB PRO A 24 -5.002 34.072 -10.657 1.00 0.00 C ATOM 251 CG PRO A 24 -5.475 33.233 -11.834 1.00 0.00 C ATOM 252 CD PRO A 24 -4.646 31.959 -11.861 1.00 0.00 C ATOM 0 HA PRO A 24 -3.283 33.672 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.848 34.464 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.421 34.930 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.534 32.997 -11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.358 33.784 -12.767 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.281 31.073 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.049 31.895 -12.770 1.00 0.00 H new ATOM 260 N TYR A 25 -5.566 33.571 -7.892 1.00 0.00 N ATOM 261 CA TYR A 25 -6.313 33.237 -6.691 1.00 0.00 C ATOM 262 C TYR A 25 -7.794 33.020 -7.009 1.00 0.00 C ATOM 263 O TYR A 25 -8.483 32.287 -6.301 1.00 0.00 O ATOM 264 CB TYR A 25 -6.175 34.443 -5.760 1.00 0.00 C ATOM 265 CG TYR A 25 -4.921 34.414 -4.884 1.00 0.00 C ATOM 266 CD1 TYR A 25 -4.882 33.613 -3.761 1.00 0.00 C ATOM 267 CD2 TYR A 25 -3.828 35.188 -5.218 1.00 0.00 C ATOM 268 CE1 TYR A 25 -3.701 33.585 -2.937 1.00 0.00 C ATOM 269 CE2 TYR A 25 -2.648 35.161 -4.394 1.00 0.00 C ATOM 270 CZ TYR A 25 -2.642 34.361 -3.295 1.00 0.00 C ATOM 271 OH TYR A 25 -1.527 34.334 -2.516 1.00 0.00 O ATOM 0 H TYR A 25 -5.611 34.553 -8.163 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.932 32.318 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.165 35.353 -6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.054 34.495 -5.117 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.737 33.007 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.858 35.814 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.657 32.963 -2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.787 35.763 -4.643 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.851 34.936 -2.892 1.00 0.00 H new ATOM 281 N GLU A 26 -8.239 33.670 -8.074 1.00 0.00 N ATOM 282 CA GLU A 26 -9.625 33.556 -8.494 1.00 0.00 C ATOM 283 C GLU A 26 -9.862 32.213 -9.188 1.00 0.00 C ATOM 284 O GLU A 26 -11.003 31.845 -9.463 1.00 0.00 O ATOM 285 CB GLU A 26 -10.019 34.721 -9.405 1.00 0.00 C ATOM 286 CG GLU A 26 -11.187 35.511 -8.811 1.00 0.00 C ATOM 287 CD GLU A 26 -10.792 36.157 -7.482 1.00 0.00 C ATOM 288 OE1 GLU A 26 -10.197 37.255 -7.539 1.00 0.00 O ATOM 289 OE2 GLU A 26 -11.094 35.539 -6.438 1.00 0.00 O ATOM 0 H GLU A 26 -7.664 34.277 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.257 33.600 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.164 35.381 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.295 34.341 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.504 36.281 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.039 34.848 -8.658 1.00 0.00 H new ATOM 296 N ALA A 27 -8.765 31.518 -9.451 1.00 0.00 N ATOM 297 CA ALA A 27 -8.839 30.224 -10.107 1.00 0.00 C ATOM 298 C ALA A 27 -8.643 29.118 -9.068 1.00 0.00 C ATOM 299 O ALA A 27 -7.513 28.744 -8.760 1.00 0.00 O ATOM 300 CB ALA A 27 -7.800 30.160 -11.229 1.00 0.00 C ATOM 0 H ALA A 27 -7.820 31.827 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.819 30.080 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.855 29.189 -11.721 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.000 30.947 -11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.803 30.298 -10.810 1.00 0.00 H new ATOM 306 N THR A 28 -9.762 28.626 -8.557 1.00 0.00 N ATOM 307 CA THR A 28 -9.729 27.571 -7.559 1.00 0.00 C ATOM 308 C THR A 28 -9.754 26.198 -8.234 1.00 0.00 C ATOM 309 O THR A 28 -9.900 26.103 -9.452 1.00 0.00 O ATOM 310 CB THR A 28 -10.894 27.795 -6.594 1.00 0.00 C ATOM 311 OG1 THR A 28 -12.035 27.335 -7.314 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.179 29.279 -6.354 1.00 0.00 C ATOM 0 H THR A 28 -10.698 28.939 -8.816 1.00 0.00 H new ATOM 0 HA THR A 28 -8.803 27.599 -6.984 1.00 0.00 H new ATOM 0 HB THR A 28 -10.676 27.309 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.836 27.442 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.015 29.382 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.295 29.755 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.430 29.759 -7.300 1.00 0.00 H new ATOM 320 N GLU A 29 -9.609 25.168 -7.413 1.00 0.00 N ATOM 321 CA GLU A 29 -9.614 23.804 -7.915 1.00 0.00 C ATOM 322 C GLU A 29 -10.917 23.519 -8.664 1.00 0.00 C ATOM 323 O GLU A 29 -10.935 22.733 -9.610 1.00 0.00 O ATOM 324 CB GLU A 29 -9.402 22.801 -6.780 1.00 0.00 C ATOM 325 CG GLU A 29 -7.915 22.502 -6.583 1.00 0.00 C ATOM 326 CD GLU A 29 -7.712 21.362 -5.582 1.00 0.00 C ATOM 327 OE1 GLU A 29 -8.675 20.583 -5.408 1.00 0.00 O ATOM 328 OE2 GLU A 29 -6.601 21.295 -5.015 1.00 0.00 O ATOM 0 H GLU A 29 -9.487 25.251 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.785 23.691 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.822 23.198 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.936 21.877 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.464 22.236 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.404 23.397 -6.228 1.00 0.00 H new ATOM 335 N GLU A 30 -11.977 24.172 -8.211 1.00 0.00 N ATOM 336 CA GLU A 30 -13.282 23.998 -8.826 1.00 0.00 C ATOM 337 C GLU A 30 -13.251 24.472 -10.281 1.00 0.00 C ATOM 338 O GLU A 30 -13.936 23.911 -11.135 1.00 0.00 O ATOM 339 CB GLU A 30 -14.364 24.734 -8.033 1.00 0.00 C ATOM 340 CG GLU A 30 -15.591 23.844 -7.824 1.00 0.00 C ATOM 341 CD GLU A 30 -15.851 23.609 -6.335 1.00 0.00 C ATOM 342 OE1 GLU A 30 -16.160 24.607 -5.648 1.00 0.00 O ATOM 343 OE2 GLU A 30 -15.734 22.437 -5.916 1.00 0.00 O ATOM 0 H GLU A 30 -11.959 24.822 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.528 22.936 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.965 25.043 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.654 25.641 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.464 24.310 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.441 22.888 -8.326 1.00 0.00 H new ATOM 350 N GLN A 31 -12.449 25.499 -10.518 1.00 0.00 N ATOM 351 CA GLN A 31 -12.320 26.054 -11.855 1.00 0.00 C ATOM 352 C GLN A 31 -11.286 25.264 -12.660 1.00 0.00 C ATOM 353 O GLN A 31 -11.516 24.940 -13.824 1.00 0.00 O ATOM 354 CB GLN A 31 -11.953 27.539 -11.799 1.00 0.00 C ATOM 355 CG GLN A 31 -13.130 28.376 -11.293 1.00 0.00 C ATOM 356 CD GLN A 31 -13.308 29.638 -12.139 1.00 0.00 C ATOM 357 OE1 GLN A 31 -12.386 30.409 -12.352 1.00 0.00 O ATOM 358 NE2 GLN A 31 -14.542 29.807 -12.606 1.00 0.00 N ATOM 0 H GLN A 31 -11.882 25.962 -9.807 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.284 25.970 -12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.093 27.680 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.658 27.882 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.043 27.782 -11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.964 28.652 -10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.267 29.123 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.763 30.621 -13.180 1.00 0.00 H new ATOM 367 N LEU A 32 -10.169 24.977 -12.008 1.00 0.00 N ATOM 368 CA LEU A 32 -9.099 24.231 -12.649 1.00 0.00 C ATOM 369 C LEU A 32 -9.639 22.881 -13.124 1.00 0.00 C ATOM 370 O LEU A 32 -9.433 22.497 -14.275 1.00 0.00 O ATOM 371 CB LEU A 32 -7.892 24.117 -11.715 1.00 0.00 C ATOM 372 CG LEU A 32 -6.936 25.311 -11.706 1.00 0.00 C ATOM 373 CD1 LEU A 32 -5.885 25.163 -10.604 1.00 0.00 C ATOM 374 CD2 LEU A 32 -6.299 25.514 -13.082 1.00 0.00 C ATOM 0 H LEU A 32 -9.982 25.247 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.741 24.760 -13.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.257 23.961 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.327 23.227 -11.991 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.513 26.209 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.218 26.025 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.380 25.104 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.307 24.254 -10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.624 26.369 -13.048 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.739 24.621 -13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.079 25.697 -13.821 1.00 0.00 H new ATOM 386 N LYS A 33 -10.318 22.198 -12.215 1.00 0.00 N ATOM 387 CA LYS A 33 -10.889 20.899 -12.527 1.00 0.00 C ATOM 388 C LYS A 33 -11.832 21.035 -13.724 1.00 0.00 C ATOM 389 O LYS A 33 -11.885 20.154 -14.581 1.00 0.00 O ATOM 390 CB LYS A 33 -11.552 20.293 -11.288 1.00 0.00 C ATOM 391 CG LYS A 33 -11.453 18.766 -11.305 1.00 0.00 C ATOM 392 CD LYS A 33 -11.034 18.229 -9.935 1.00 0.00 C ATOM 393 CE LYS A 33 -12.245 18.081 -9.011 1.00 0.00 C ATOM 394 NZ LYS A 33 -12.323 19.223 -8.073 1.00 0.00 N ATOM 0 H LYS A 33 -10.486 22.520 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.105 20.198 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.075 20.682 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.599 20.593 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.415 18.339 -11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.731 18.453 -12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.542 17.263 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.307 18.904 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.158 18.027 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.172 17.148 -8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.150 19.107 -7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.459 19.257 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.415 20.108 -8.611 1.00 0.00 H new ATOM 408 N ASP A 34 -12.553 22.146 -13.746 1.00 0.00 N ATOM 409 CA ASP A 34 -13.491 22.409 -14.824 1.00 0.00 C ATOM 410 C ASP A 34 -12.718 22.611 -16.129 1.00 0.00 C ATOM 411 O ASP A 34 -13.179 22.208 -17.196 1.00 0.00 O ATOM 412 CB ASP A 34 -14.300 23.680 -14.553 1.00 0.00 C ATOM 413 CG ASP A 34 -15.804 23.553 -14.799 1.00 0.00 C ATOM 414 OD1 ASP A 34 -16.164 22.848 -15.767 1.00 0.00 O ATOM 415 OD2 ASP A 34 -16.561 24.164 -14.015 1.00 0.00 O ATOM 0 H ASP A 34 -12.507 22.875 -13.034 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.169 21.558 -14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.140 23.980 -13.517 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.911 24.481 -15.181 1.00 0.00 H new ATOM 420 N ILE A 35 -11.556 23.234 -16.001 1.00 0.00 N ATOM 421 CA ILE A 35 -10.714 23.493 -17.157 1.00 0.00 C ATOM 422 C ILE A 35 -10.168 22.168 -17.693 1.00 0.00 C ATOM 423 O ILE A 35 -10.233 21.906 -18.893 1.00 0.00 O ATOM 424 CB ILE A 35 -9.626 24.511 -16.810 1.00 0.00 C ATOM 425 CG1 ILE A 35 -10.239 25.810 -16.282 1.00 0.00 C ATOM 426 CG2 ILE A 35 -8.704 24.757 -18.005 1.00 0.00 C ATOM 427 CD1 ILE A 35 -9.359 26.429 -15.194 1.00 0.00 C ATOM 0 H ILE A 35 -11.177 23.567 -15.114 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.297 23.945 -17.959 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.013 24.096 -16.010 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.362 26.518 -17.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.233 25.611 -15.881 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.940 25.484 -17.731 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.227 23.821 -18.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.287 25.141 -18.842 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.817 27.351 -14.836 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.258 25.728 -14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.374 26.649 -15.605 1.00 0.00 H new ATOM 439 N PHE A 36 -9.643 21.368 -16.777 1.00 0.00 N ATOM 440 CA PHE A 36 -9.087 20.076 -17.142 1.00 0.00 C ATOM 441 C PHE A 36 -10.188 19.109 -17.583 1.00 0.00 C ATOM 442 O PHE A 36 -9.949 18.222 -18.400 1.00 0.00 O ATOM 443 CB PHE A 36 -8.401 19.515 -15.895 1.00 0.00 C ATOM 444 CG PHE A 36 -6.941 19.947 -15.740 1.00 0.00 C ATOM 445 CD1 PHE A 36 -5.949 19.202 -16.299 1.00 0.00 C ATOM 446 CD2 PHE A 36 -6.635 21.074 -15.044 1.00 0.00 C ATOM 447 CE1 PHE A 36 -4.595 19.603 -16.155 1.00 0.00 C ATOM 448 CE2 PHE A 36 -5.281 21.474 -14.900 1.00 0.00 C ATOM 449 CZ PHE A 36 -4.289 20.730 -15.459 1.00 0.00 C ATOM 0 H PHE A 36 -9.591 21.589 -15.783 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.390 20.193 -17.972 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.958 19.831 -15.013 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.446 18.426 -15.927 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.192 18.306 -16.852 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.423 21.665 -14.601 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.807 19.012 -16.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.038 22.369 -14.347 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.259 21.034 -15.350 1.00 0.00 H new ATOM 459 N SER A 37 -11.370 19.314 -17.021 1.00 0.00 N ATOM 460 CA SER A 37 -12.508 18.471 -17.345 1.00 0.00 C ATOM 461 C SER A 37 -12.867 18.623 -18.825 1.00 0.00 C ATOM 462 O SER A 37 -13.256 17.655 -19.476 1.00 0.00 O ATOM 463 CB SER A 37 -13.715 18.813 -16.469 1.00 0.00 C ATOM 464 OG SER A 37 -14.278 20.078 -16.806 1.00 0.00 O ATOM 0 H SER A 37 -11.564 20.051 -16.344 1.00 0.00 H new ATOM 0 HA SER A 37 -12.233 17.435 -17.148 1.00 0.00 H new ATOM 0 HB2 SER A 37 -14.474 18.038 -16.578 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.413 18.818 -15.422 1.00 0.00 H new ATOM 0 HG SER A 37 -13.573 20.671 -17.141 1.00 0.00 H new ATOM 470 N GLU A 38 -12.724 19.847 -19.313 1.00 0.00 N ATOM 471 CA GLU A 38 -13.028 20.138 -20.703 1.00 0.00 C ATOM 472 C GLU A 38 -11.993 19.484 -21.621 1.00 0.00 C ATOM 473 O GLU A 38 -12.191 19.413 -22.833 1.00 0.00 O ATOM 474 CB GLU A 38 -13.099 21.647 -20.944 1.00 0.00 C ATOM 475 CG GLU A 38 -11.811 22.160 -21.591 1.00 0.00 C ATOM 476 CD GLU A 38 -11.865 23.676 -21.794 1.00 0.00 C ATOM 477 OE1 GLU A 38 -11.820 24.388 -20.768 1.00 0.00 O ATOM 478 OE2 GLU A 38 -11.950 24.088 -22.971 1.00 0.00 O ATOM 0 H GLU A 38 -12.402 20.648 -18.770 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.007 19.720 -20.936 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.949 21.877 -21.586 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.265 22.163 -19.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.958 21.904 -20.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.660 21.666 -22.551 1.00 0.00 H new ATOM 485 N VAL A 39 -10.913 19.023 -21.009 1.00 0.00 N ATOM 486 CA VAL A 39 -9.847 18.377 -21.756 1.00 0.00 C ATOM 487 C VAL A 39 -9.926 16.864 -21.544 1.00 0.00 C ATOM 488 O VAL A 39 -9.044 16.126 -21.979 1.00 0.00 O ATOM 489 CB VAL A 39 -8.494 18.967 -21.353 1.00 0.00 C ATOM 490 CG1 VAL A 39 -7.439 18.703 -22.430 1.00 0.00 C ATOM 491 CG2 VAL A 39 -8.615 20.464 -21.059 1.00 0.00 C ATOM 0 H VAL A 39 -10.753 19.084 -20.004 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.962 18.562 -22.824 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.170 18.471 -20.438 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.487 19.132 -22.119 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.324 17.628 -22.571 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.754 19.160 -23.368 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.640 20.859 -20.775 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.971 20.982 -21.950 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.321 20.619 -20.243 1.00 0.00 H new ATOM 501 N GLY A 40 -10.992 16.447 -20.876 1.00 0.00 N ATOM 502 CA GLY A 40 -11.197 15.035 -20.601 1.00 0.00 C ATOM 503 C GLY A 40 -11.747 14.826 -19.188 1.00 0.00 C ATOM 504 O GLY A 40 -11.985 15.789 -18.462 1.00 0.00 O ATOM 0 H GLY A 40 -11.722 17.062 -20.517 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.890 14.616 -21.331 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.255 14.499 -20.711 1.00 0.00 H new ATOM 508 N PRO A 41 -11.937 13.527 -18.832 1.00 0.00 N ATOM 509 CA PRO A 41 -12.454 13.179 -17.519 1.00 0.00 C ATOM 510 C PRO A 41 -11.381 13.353 -16.443 1.00 0.00 C ATOM 511 O PRO A 41 -10.322 12.731 -16.512 1.00 0.00 O ATOM 512 CB PRO A 41 -12.933 11.743 -17.653 1.00 0.00 C ATOM 513 CG PRO A 41 -12.248 11.189 -18.892 1.00 0.00 C ATOM 514 CD PRO A 41 -11.666 12.360 -19.666 1.00 0.00 C ATOM 0 HA PRO A 41 -13.269 13.829 -17.202 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.673 11.160 -16.769 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.017 11.701 -17.754 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.462 10.488 -18.612 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.960 10.640 -19.508 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.596 12.232 -19.833 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.132 12.457 -20.647 1.00 0.00 H new ATOM 522 N VAL A 42 -11.691 14.202 -15.474 1.00 0.00 N ATOM 523 CA VAL A 42 -10.767 14.466 -14.385 1.00 0.00 C ATOM 524 C VAL A 42 -11.070 13.517 -13.224 1.00 0.00 C ATOM 525 O VAL A 42 -12.232 13.266 -12.909 1.00 0.00 O ATOM 526 CB VAL A 42 -10.835 15.941 -13.986 1.00 0.00 C ATOM 527 CG1 VAL A 42 -10.197 16.168 -12.614 1.00 0.00 C ATOM 528 CG2 VAL A 42 -10.182 16.828 -15.048 1.00 0.00 C ATOM 0 H VAL A 42 -12.570 14.716 -15.421 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.741 14.277 -14.700 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.886 16.221 -13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.259 17.225 -12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.726 15.579 -11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.151 15.862 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.244 17.871 -14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.136 16.546 -15.164 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.700 16.699 -15.998 1.00 0.00 H new ATOM 538 N VAL A 43 -10.004 13.015 -12.618 1.00 0.00 N ATOM 539 CA VAL A 43 -10.141 12.100 -11.498 1.00 0.00 C ATOM 540 C VAL A 43 -10.077 12.889 -10.189 1.00 0.00 C ATOM 541 O VAL A 43 -11.084 13.031 -9.496 1.00 0.00 O ATOM 542 CB VAL A 43 -9.079 11.002 -11.586 1.00 0.00 C ATOM 543 CG1 VAL A 43 -9.250 9.982 -10.459 1.00 0.00 C ATOM 544 CG2 VAL A 43 -9.110 10.318 -12.954 1.00 0.00 C ATOM 0 H VAL A 43 -9.041 13.225 -12.882 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.109 11.601 -11.530 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.102 11.471 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.483 9.213 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.154 10.484 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.235 9.521 -10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.346 9.542 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.090 9.869 -13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.916 11.055 -13.734 1.00 0.00 H new ATOM 554 N SER A 44 -8.885 13.383 -9.890 1.00 0.00 N ATOM 555 CA SER A 44 -8.677 14.154 -8.676 1.00 0.00 C ATOM 556 C SER A 44 -7.810 15.379 -8.976 1.00 0.00 C ATOM 557 O SER A 44 -7.274 15.510 -10.076 1.00 0.00 O ATOM 558 CB SER A 44 -8.029 13.300 -7.584 1.00 0.00 C ATOM 559 OG SER A 44 -8.891 13.123 -6.463 1.00 0.00 O ATOM 0 H SER A 44 -8.053 13.264 -10.468 1.00 0.00 H new ATOM 0 HA SER A 44 -9.649 14.485 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.764 12.326 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.102 13.771 -7.258 1.00 0.00 H new ATOM 0 HG SER A 44 -8.442 12.571 -5.789 1.00 0.00 H new ATOM 565 N PHE A 45 -7.698 16.244 -7.979 1.00 0.00 N ATOM 566 CA PHE A 45 -6.905 17.453 -8.123 1.00 0.00 C ATOM 567 C PHE A 45 -6.646 18.104 -6.763 1.00 0.00 C ATOM 568 O PHE A 45 -7.577 18.566 -6.105 1.00 0.00 O ATOM 569 CB PHE A 45 -7.715 18.418 -8.991 1.00 0.00 C ATOM 570 CG PHE A 45 -6.865 19.460 -9.722 1.00 0.00 C ATOM 571 CD1 PHE A 45 -5.681 19.867 -9.189 1.00 0.00 C ATOM 572 CD2 PHE A 45 -7.293 19.980 -10.903 1.00 0.00 C ATOM 573 CE1 PHE A 45 -4.893 20.834 -9.867 1.00 0.00 C ATOM 574 CE2 PHE A 45 -6.505 20.947 -11.581 1.00 0.00 C ATOM 575 CZ PHE A 45 -5.321 21.354 -11.048 1.00 0.00 C ATOM 0 H PHE A 45 -8.143 16.132 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.940 17.214 -8.571 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.279 17.844 -9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.442 18.933 -8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.341 19.455 -8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.233 19.657 -11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.953 21.157 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.845 21.359 -12.519 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.721 22.090 -11.563 1.00 0.00 H new ATOM 585 N ARG A 46 -5.378 18.120 -6.382 1.00 0.00 N ATOM 586 CA ARG A 46 -4.985 18.706 -5.112 1.00 0.00 C ATOM 587 C ARG A 46 -3.809 19.665 -5.311 1.00 0.00 C ATOM 588 O ARG A 46 -2.803 19.301 -5.917 1.00 0.00 O ATOM 589 CB ARG A 46 -4.587 17.625 -4.105 1.00 0.00 C ATOM 590 CG ARG A 46 -5.810 16.827 -3.646 1.00 0.00 C ATOM 591 CD ARG A 46 -5.790 16.617 -2.131 1.00 0.00 C ATOM 592 NE ARG A 46 -5.925 15.177 -1.817 1.00 0.00 N ATOM 593 CZ ARG A 46 -5.005 14.252 -2.122 1.00 0.00 C ATOM 594 NH1 ARG A 46 -3.877 14.612 -2.750 1.00 0.00 N ATOM 595 NH2 ARG A 46 -5.212 12.969 -1.799 1.00 0.00 N ATOM 0 H ARG A 46 -4.609 17.736 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.843 19.253 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.858 16.952 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.104 18.086 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.721 17.354 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.829 15.861 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.859 17.003 -1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.603 17.176 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.772 14.869 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.720 15.589 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.176 13.909 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.070 12.696 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.511 12.265 -2.031 1.00 0.00 H new ATOM 609 N LEU A 47 -3.975 20.871 -4.789 1.00 0.00 N ATOM 610 CA LEU A 47 -2.940 21.885 -4.902 1.00 0.00 C ATOM 611 C LEU A 47 -2.380 22.192 -3.511 1.00 0.00 C ATOM 612 O LEU A 47 -2.838 21.633 -2.516 1.00 0.00 O ATOM 613 CB LEU A 47 -3.475 23.116 -5.636 1.00 0.00 C ATOM 614 CG LEU A 47 -4.652 23.834 -4.973 1.00 0.00 C ATOM 615 CD1 LEU A 47 -4.189 24.642 -3.759 1.00 0.00 C ATOM 616 CD2 LEU A 47 -5.405 24.701 -5.984 1.00 0.00 C ATOM 0 H LEU A 47 -4.811 21.169 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.110 21.518 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.659 23.829 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.778 22.813 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.351 23.080 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.045 25.142 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.732 23.973 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.459 25.387 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.237 25.200 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.728 25.448 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.787 24.073 -6.789 1.00 0.00 H new ATOM 628 N VAL A 48 -1.397 23.081 -3.488 1.00 0.00 N ATOM 629 CA VAL A 48 -0.770 23.469 -2.236 1.00 0.00 C ATOM 630 C VAL A 48 -1.563 24.617 -1.608 1.00 0.00 C ATOM 631 O VAL A 48 -1.726 25.671 -2.221 1.00 0.00 O ATOM 632 CB VAL A 48 0.701 23.819 -2.475 1.00 0.00 C ATOM 633 CG1 VAL A 48 1.552 22.553 -2.595 1.00 0.00 C ATOM 634 CG2 VAL A 48 0.860 24.707 -3.710 1.00 0.00 C ATOM 0 H VAL A 48 -1.020 23.543 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.783 22.640 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 48 1.057 24.381 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.593 22.829 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.475 21.974 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.195 21.953 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.914 24.941 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.479 24.183 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.300 25.631 -3.568 1.00 0.00 H new ATOM 644 N TYR A 49 -2.034 24.373 -0.394 1.00 0.00 N ATOM 645 CA TYR A 49 -2.806 25.374 0.324 1.00 0.00 C ATOM 646 C TYR A 49 -2.169 25.689 1.679 1.00 0.00 C ATOM 647 O TYR A 49 -2.025 24.805 2.522 1.00 0.00 O ATOM 648 CB TYR A 49 -4.186 24.756 0.554 1.00 0.00 C ATOM 649 CG TYR A 49 -5.276 25.305 -0.369 1.00 0.00 C ATOM 650 CD1 TYR A 49 -5.734 26.597 -0.204 1.00 0.00 C ATOM 651 CD2 TYR A 49 -5.800 24.510 -1.367 1.00 0.00 C ATOM 652 CE1 TYR A 49 -6.759 27.114 -1.073 1.00 0.00 C ATOM 653 CE2 TYR A 49 -6.826 25.027 -2.236 1.00 0.00 C ATOM 654 CZ TYR A 49 -7.254 26.303 -2.046 1.00 0.00 C ATOM 655 OH TYR A 49 -8.223 26.792 -2.866 1.00 0.00 O ATOM 0 H TYR A 49 -1.896 23.497 0.111 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.853 26.303 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.117 23.677 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.481 24.927 1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.323 27.220 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.441 23.500 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.126 28.123 -0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.246 24.415 -3.021 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.481 26.104 -3.514 1.00 0.00 H new ATOM 665 N ASP A 50 -1.805 26.952 1.846 1.00 0.00 N ATOM 666 CA ASP A 50 -1.187 27.395 3.084 1.00 0.00 C ATOM 667 C ASP A 50 -2.266 27.558 4.157 1.00 0.00 C ATOM 668 O ASP A 50 -3.090 28.468 4.082 1.00 0.00 O ATOM 669 CB ASP A 50 -0.495 28.747 2.901 1.00 0.00 C ATOM 670 CG ASP A 50 0.942 28.672 2.382 1.00 0.00 C ATOM 671 OD1 ASP A 50 1.221 27.723 1.618 1.00 0.00 O ATOM 672 OD2 ASP A 50 1.730 29.566 2.760 1.00 0.00 O ATOM 0 H ASP A 50 -1.926 27.682 1.145 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.449 26.649 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.084 29.349 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.493 29.270 3.857 1.00 0.00 H new ATOM 677 N ARG A 51 -2.225 26.661 5.132 1.00 0.00 N ATOM 678 CA ARG A 51 -3.189 26.694 6.219 1.00 0.00 C ATOM 679 C ARG A 51 -2.905 27.879 7.145 1.00 0.00 C ATOM 680 O ARG A 51 -3.811 28.392 7.799 1.00 0.00 O ATOM 681 CB ARG A 51 -3.146 25.399 7.032 1.00 0.00 C ATOM 682 CG ARG A 51 -3.728 24.231 6.234 1.00 0.00 C ATOM 683 CD ARG A 51 -3.463 22.899 6.939 1.00 0.00 C ATOM 684 NE ARG A 51 -4.192 22.852 8.225 1.00 0.00 N ATOM 685 CZ ARG A 51 -3.846 22.071 9.258 1.00 0.00 C ATOM 686 NH1 ARG A 51 -2.779 21.267 9.161 1.00 0.00 N ATOM 687 NH2 ARG A 51 -4.567 22.095 10.387 1.00 0.00 N ATOM 0 H ARG A 51 -1.540 25.908 5.192 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.181 26.801 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.117 25.175 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.708 25.528 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.801 24.372 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.288 24.212 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.779 22.072 6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.394 22.777 7.113 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.010 23.452 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.230 21.249 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.515 20.673 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.379 22.708 10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.304 21.501 11.173 1.00 0.00 H new ATOM 701 N GLU A 52 -1.642 28.279 7.171 1.00 0.00 N ATOM 702 CA GLU A 52 -1.227 29.393 8.005 1.00 0.00 C ATOM 703 C GLU A 52 -1.825 30.700 7.481 1.00 0.00 C ATOM 704 O GLU A 52 -2.114 31.610 8.257 1.00 0.00 O ATOM 705 CB GLU A 52 0.299 29.481 8.084 1.00 0.00 C ATOM 706 CG GLU A 52 0.805 29.008 9.448 1.00 0.00 C ATOM 707 CD GLU A 52 0.669 27.490 9.587 1.00 0.00 C ATOM 708 OE1 GLU A 52 0.812 26.810 8.548 1.00 0.00 O ATOM 709 OE2 GLU A 52 0.425 27.044 10.729 1.00 0.00 O ATOM 0 H GLU A 52 -0.893 27.851 6.627 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.601 29.224 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.743 28.873 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.617 30.509 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.849 29.296 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.241 29.501 10.240 1.00 0.00 H new ATOM 716 N THR A 53 -1.992 30.752 6.168 1.00 0.00 N ATOM 717 CA THR A 53 -2.551 31.933 5.531 1.00 0.00 C ATOM 718 C THR A 53 -3.935 31.625 4.957 1.00 0.00 C ATOM 719 O THR A 53 -4.602 32.511 4.425 1.00 0.00 O ATOM 720 CB THR A 53 -1.552 32.420 4.479 1.00 0.00 C ATOM 721 OG1 THR A 53 -2.182 33.561 3.903 1.00 0.00 O ATOM 722 CG2 THR A 53 -1.409 31.443 3.310 1.00 0.00 C ATOM 0 H THR A 53 -1.750 29.996 5.528 1.00 0.00 H new ATOM 0 HA THR A 53 -2.704 32.736 6.252 1.00 0.00 H new ATOM 0 HB THR A 53 -0.579 32.572 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.151 33.502 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.689 31.837 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.061 30.479 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.375 31.316 2.821 1.00 0.00 H new ATOM 730 N GLY A 54 -4.327 30.365 5.084 1.00 0.00 N ATOM 731 CA GLY A 54 -5.620 29.929 4.585 1.00 0.00 C ATOM 732 C GLY A 54 -5.793 30.304 3.112 1.00 0.00 C ATOM 733 O GLY A 54 -6.911 30.323 2.600 1.00 0.00 O ATOM 0 H GLY A 54 -3.771 29.632 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.714 28.849 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.415 30.385 5.176 1.00 0.00 H new ATOM 737 N LYS A 55 -4.670 30.592 2.471 1.00 0.00 N ATOM 738 CA LYS A 55 -4.683 30.965 1.067 1.00 0.00 C ATOM 739 C LYS A 55 -3.889 29.934 0.262 1.00 0.00 C ATOM 740 O LYS A 55 -2.908 29.379 0.754 1.00 0.00 O ATOM 741 CB LYS A 55 -4.185 32.400 0.889 1.00 0.00 C ATOM 742 CG LYS A 55 -5.355 33.385 0.842 1.00 0.00 C ATOM 743 CD LYS A 55 -5.155 34.522 1.846 1.00 0.00 C ATOM 744 CE LYS A 55 -6.043 35.719 1.503 1.00 0.00 C ATOM 745 NZ LYS A 55 -7.045 35.943 2.569 1.00 0.00 N ATOM 0 H LYS A 55 -3.744 30.575 2.899 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.702 30.956 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.518 32.662 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.604 32.476 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.449 33.795 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.285 32.861 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.386 34.169 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.109 34.830 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.429 36.611 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.547 35.545 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.640 36.759 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.642 35.097 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.559 36.130 3.469 1.00 0.00 H new ATOM 759 N PRO A 56 -4.355 29.703 -0.994 1.00 0.00 N ATOM 760 CA PRO A 56 -3.700 28.748 -1.872 1.00 0.00 C ATOM 761 C PRO A 56 -2.392 29.320 -2.425 1.00 0.00 C ATOM 762 O PRO A 56 -2.336 30.485 -2.814 1.00 0.00 O ATOM 763 CB PRO A 56 -4.721 28.445 -2.956 1.00 0.00 C ATOM 764 CG PRO A 56 -5.728 29.582 -2.910 1.00 0.00 C ATOM 765 CD PRO A 56 -5.515 30.341 -1.611 1.00 0.00 C ATOM 0 HA PRO A 56 -3.405 27.835 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.245 28.384 -3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.207 27.486 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.595 30.244 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.745 29.194 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.333 31.400 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.392 30.277 -0.967 1.00 0.00 H new ATOM 773 N LYS A 57 -1.374 28.473 -2.442 1.00 0.00 N ATOM 774 CA LYS A 57 -0.071 28.879 -2.940 1.00 0.00 C ATOM 775 C LYS A 57 -0.229 29.479 -4.339 1.00 0.00 C ATOM 776 O LYS A 57 0.143 30.628 -4.571 1.00 0.00 O ATOM 777 CB LYS A 57 0.914 27.710 -2.881 1.00 0.00 C ATOM 778 CG LYS A 57 1.966 27.933 -1.792 1.00 0.00 C ATOM 779 CD LYS A 57 3.040 28.917 -2.261 1.00 0.00 C ATOM 780 CE LYS A 57 3.271 30.014 -1.220 1.00 0.00 C ATOM 781 NZ LYS A 57 4.633 30.577 -1.354 1.00 0.00 N ATOM 0 H LYS A 57 -1.425 27.507 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 57 0.354 29.656 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.373 26.784 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.405 27.594 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.486 28.315 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.429 26.982 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.972 28.383 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.738 29.366 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.531 30.804 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.136 29.607 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.773 31.320 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.336 29.823 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.749 30.984 -2.304 1.00 0.00 H new ATOM 795 N GLY A 58 -0.782 28.674 -5.234 1.00 0.00 N ATOM 796 CA GLY A 58 -0.994 29.111 -6.604 1.00 0.00 C ATOM 797 C GLY A 58 -0.753 27.965 -7.588 1.00 0.00 C ATOM 798 O GLY A 58 -1.177 28.033 -8.741 1.00 0.00 O ATOM 0 H GLY A 58 -1.090 27.722 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.012 29.484 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.323 29.939 -6.833 1.00 0.00 H new ATOM 802 N TYR A 59 -0.073 26.939 -7.098 1.00 0.00 N ATOM 803 CA TYR A 59 0.230 25.780 -7.921 1.00 0.00 C ATOM 804 C TYR A 59 -0.253 24.492 -7.251 1.00 0.00 C ATOM 805 O TYR A 59 -0.411 24.443 -6.033 1.00 0.00 O ATOM 806 CB TYR A 59 1.754 25.736 -8.044 1.00 0.00 C ATOM 807 CG TYR A 59 2.489 25.806 -6.703 1.00 0.00 C ATOM 808 CD1 TYR A 59 2.765 27.031 -6.130 1.00 0.00 C ATOM 809 CD2 TYR A 59 2.875 24.643 -6.067 1.00 0.00 C ATOM 810 CE1 TYR A 59 3.456 27.096 -4.869 1.00 0.00 C ATOM 811 CE2 TYR A 59 3.567 24.709 -4.806 1.00 0.00 C ATOM 812 CZ TYR A 59 3.823 25.932 -4.269 1.00 0.00 C ATOM 813 OH TYR A 59 4.476 25.993 -3.078 1.00 0.00 O ATOM 0 H TYR A 59 0.277 26.886 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.265 25.857 -8.889 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.041 24.818 -8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.082 26.566 -8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.463 27.941 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.658 23.685 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.678 28.048 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.876 23.807 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 59 4.675 25.085 -2.767 1.00 0.00 H new ATOM 823 N GLY A 60 -0.474 23.480 -8.078 1.00 0.00 N ATOM 824 CA GLY A 60 -0.935 22.195 -7.582 1.00 0.00 C ATOM 825 C GLY A 60 -0.771 21.106 -8.643 1.00 0.00 C ATOM 826 O GLY A 60 -0.129 21.326 -9.669 1.00 0.00 O ATOM 0 H GLY A 60 -0.342 23.525 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.374 21.924 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.983 22.269 -7.290 1.00 0.00 H new ATOM 830 N PHE A 61 -1.362 19.954 -8.360 1.00 0.00 N ATOM 831 CA PHE A 61 -1.289 18.830 -9.278 1.00 0.00 C ATOM 832 C PHE A 61 -2.670 18.210 -9.496 1.00 0.00 C ATOM 833 O PHE A 61 -3.435 18.039 -8.548 1.00 0.00 O ATOM 834 CB PHE A 61 -0.370 17.788 -8.637 1.00 0.00 C ATOM 835 CG PHE A 61 1.042 18.298 -8.347 1.00 0.00 C ATOM 836 CD1 PHE A 61 1.259 19.144 -7.305 1.00 0.00 C ATOM 837 CD2 PHE A 61 2.082 17.905 -9.131 1.00 0.00 C ATOM 838 CE1 PHE A 61 2.570 19.618 -7.035 1.00 0.00 C ATOM 839 CE2 PHE A 61 3.393 18.379 -8.862 1.00 0.00 C ATOM 840 CZ PHE A 61 3.610 19.226 -7.820 1.00 0.00 C ATOM 0 H PHE A 61 -1.893 19.775 -7.508 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.913 19.163 -10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.820 17.446 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.304 16.922 -9.296 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.434 19.456 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.910 17.232 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.742 20.290 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.218 18.067 -9.485 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.607 19.587 -7.616 1.00 0.00 H new ATOM 850 N CYS A 62 -2.949 17.890 -10.752 1.00 0.00 N ATOM 851 CA CYS A 62 -4.225 17.292 -11.106 1.00 0.00 C ATOM 852 C CYS A 62 -3.968 15.863 -11.588 1.00 0.00 C ATOM 853 O CYS A 62 -3.180 15.646 -12.507 1.00 0.00 O ATOM 854 CB CYS A 62 -4.967 18.123 -12.155 1.00 0.00 C ATOM 855 SG CYS A 62 -6.671 17.490 -12.364 1.00 0.00 S ATOM 0 H CYS A 62 -2.313 18.034 -11.536 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.874 17.268 -10.231 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.994 19.169 -11.850 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.436 18.082 -13.106 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.513 18.329 -11.838 1.00 0.00 H new ATOM 861 N GLU A 63 -4.650 14.925 -10.947 1.00 0.00 N ATOM 862 CA GLU A 63 -4.506 13.522 -11.298 1.00 0.00 C ATOM 863 C GLU A 63 -5.659 13.081 -12.202 1.00 0.00 C ATOM 864 O GLU A 63 -6.825 13.212 -11.835 1.00 0.00 O ATOM 865 CB GLU A 63 -4.426 12.648 -10.045 1.00 0.00 C ATOM 866 CG GLU A 63 -5.234 13.259 -8.898 1.00 0.00 C ATOM 867 CD GLU A 63 -4.434 14.351 -8.185 1.00 0.00 C ATOM 868 OE1 GLU A 63 -3.221 14.445 -8.472 1.00 0.00 O ATOM 869 OE2 GLU A 63 -5.054 15.067 -7.369 1.00 0.00 O ATOM 0 H GLU A 63 -5.304 15.109 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.572 13.399 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.803 11.650 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.385 12.535 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.163 13.678 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.508 12.480 -8.186 1.00 0.00 H new ATOM 876 N TYR A 64 -5.292 12.566 -13.367 1.00 0.00 N ATOM 877 CA TYR A 64 -6.281 12.104 -14.326 1.00 0.00 C ATOM 878 C TYR A 64 -6.568 10.613 -14.142 1.00 0.00 C ATOM 879 O TYR A 64 -6.174 10.020 -13.139 1.00 0.00 O ATOM 880 CB TYR A 64 -5.663 12.325 -15.708 1.00 0.00 C ATOM 881 CG TYR A 64 -6.161 13.586 -16.417 1.00 0.00 C ATOM 882 CD1 TYR A 64 -7.461 13.652 -16.877 1.00 0.00 C ATOM 883 CD2 TYR A 64 -5.310 14.658 -16.597 1.00 0.00 C ATOM 884 CE1 TYR A 64 -7.929 14.839 -17.544 1.00 0.00 C ATOM 885 CE2 TYR A 64 -5.779 15.845 -17.265 1.00 0.00 C ATOM 886 CZ TYR A 64 -7.065 15.877 -17.705 1.00 0.00 C ATOM 887 OH TYR A 64 -7.508 16.998 -18.335 1.00 0.00 O ATOM 0 H TYR A 64 -4.323 12.459 -13.668 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.221 12.641 -14.197 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.579 12.382 -15.605 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.879 11.459 -16.334 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.127 12.813 -16.737 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.293 14.607 -16.237 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.944 14.904 -17.908 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.124 16.691 -17.413 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.460 17.127 -18.142 1.00 0.00 H new ATOM 897 N GLN A 65 -7.254 10.049 -15.125 1.00 0.00 N ATOM 898 CA GLN A 65 -7.599 8.638 -15.085 1.00 0.00 C ATOM 899 C GLN A 65 -6.857 7.878 -16.186 1.00 0.00 C ATOM 900 O GLN A 65 -6.810 6.649 -16.173 1.00 0.00 O ATOM 901 CB GLN A 65 -9.111 8.440 -15.205 1.00 0.00 C ATOM 902 CG GLN A 65 -9.622 7.460 -14.147 1.00 0.00 C ATOM 903 CD GLN A 65 -11.034 6.976 -14.483 1.00 0.00 C ATOM 904 OE1 GLN A 65 -11.287 6.397 -15.527 1.00 0.00 O ATOM 905 NE2 GLN A 65 -11.936 7.244 -13.543 1.00 0.00 N ATOM 0 H GLN A 65 -7.581 10.544 -15.955 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.288 8.235 -14.121 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.617 9.399 -15.092 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.355 8.066 -16.200 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.947 6.606 -14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.622 7.942 -13.170 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.656 7.732 -12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.907 6.961 -13.673 1.00 0.00 H new ATOM 914 N ASP A 66 -6.296 8.641 -17.112 1.00 0.00 N ATOM 915 CA ASP A 66 -5.558 8.055 -18.218 1.00 0.00 C ATOM 916 C ASP A 66 -4.327 8.913 -18.516 1.00 0.00 C ATOM 917 O ASP A 66 -4.425 10.136 -18.606 1.00 0.00 O ATOM 918 CB ASP A 66 -6.415 8.002 -19.485 1.00 0.00 C ATOM 919 CG ASP A 66 -7.906 8.271 -19.269 1.00 0.00 C ATOM 920 OD1 ASP A 66 -8.236 9.441 -18.980 1.00 0.00 O ATOM 921 OD2 ASP A 66 -8.682 7.299 -19.398 1.00 0.00 O ATOM 0 H ASP A 66 -6.338 9.660 -17.119 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.271 7.043 -17.933 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.029 8.731 -20.197 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.301 7.019 -19.942 1.00 0.00 H new ATOM 926 N GLN A 67 -3.196 8.238 -18.661 1.00 0.00 N ATOM 927 CA GLN A 67 -1.947 8.923 -18.946 1.00 0.00 C ATOM 928 C GLN A 67 -2.075 9.749 -20.228 1.00 0.00 C ATOM 929 O GLN A 67 -1.543 10.854 -20.314 1.00 0.00 O ATOM 930 CB GLN A 67 -0.787 7.930 -19.048 1.00 0.00 C ATOM 931 CG GLN A 67 0.144 8.049 -17.840 1.00 0.00 C ATOM 932 CD GLN A 67 0.794 6.703 -17.513 1.00 0.00 C ATOM 933 OE1 GLN A 67 0.485 6.232 -16.308 1.00 0.00 O flip ATOM 934 NE2 GLN A 67 1.526 6.130 -18.302 1.00 0.00 N flip ATOM 0 H GLN A 67 -3.119 7.224 -18.586 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.731 9.600 -18.120 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.178 6.914 -19.112 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.226 8.114 -19.964 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.917 8.790 -18.044 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.418 8.404 -16.977 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.722 6.548 -19.212 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.942 5.233 -18.052 1.00 0.00 H new ATOM 943 N GLU A 68 -2.785 9.180 -21.192 1.00 0.00 N ATOM 944 CA GLU A 68 -2.990 9.849 -22.465 1.00 0.00 C ATOM 945 C GLU A 68 -3.771 11.149 -22.261 1.00 0.00 C ATOM 946 O GLU A 68 -3.494 12.153 -22.916 1.00 0.00 O ATOM 947 CB GLU A 68 -3.704 8.931 -23.458 1.00 0.00 C ATOM 948 CG GLU A 68 -4.057 9.683 -24.744 1.00 0.00 C ATOM 949 CD GLU A 68 -5.524 10.115 -24.741 1.00 0.00 C ATOM 950 OE1 GLU A 68 -5.789 11.220 -24.218 1.00 0.00 O ATOM 951 OE2 GLU A 68 -6.348 9.332 -25.260 1.00 0.00 O ATOM 0 H GLU A 68 -3.225 8.263 -21.116 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.015 10.095 -22.885 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.067 8.079 -23.694 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.612 8.534 -23.004 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.416 10.559 -24.845 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.864 9.046 -25.607 1.00 0.00 H new ATOM 958 N THR A 69 -4.730 11.089 -21.349 1.00 0.00 N ATOM 959 CA THR A 69 -5.553 12.249 -21.051 1.00 0.00 C ATOM 960 C THR A 69 -4.710 13.347 -20.399 1.00 0.00 C ATOM 961 O THR A 69 -4.867 14.525 -20.715 1.00 0.00 O ATOM 962 CB THR A 69 -6.725 11.787 -20.184 1.00 0.00 C ATOM 963 OG1 THR A 69 -7.449 10.894 -21.026 1.00 0.00 O ATOM 964 CG2 THR A 69 -7.719 12.914 -19.894 1.00 0.00 C ATOM 0 H THR A 69 -4.956 10.255 -20.807 1.00 0.00 H new ATOM 0 HA THR A 69 -5.958 12.691 -21.961 1.00 0.00 H new ATOM 0 HB THR A 69 -6.345 11.387 -19.244 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.103 10.398 -20.491 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.531 12.533 -19.275 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.210 13.721 -19.367 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.125 13.292 -20.833 1.00 0.00 H new ATOM 972 N ALA A 70 -3.835 12.921 -19.500 1.00 0.00 N ATOM 973 CA ALA A 70 -2.967 13.853 -18.800 1.00 0.00 C ATOM 974 C ALA A 70 -1.990 14.481 -19.797 1.00 0.00 C ATOM 975 O ALA A 70 -1.692 15.671 -19.713 1.00 0.00 O ATOM 976 CB ALA A 70 -2.251 13.127 -17.660 1.00 0.00 C ATOM 0 H ALA A 70 -3.708 11.943 -19.240 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.550 14.660 -18.356 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.600 13.826 -17.135 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.988 12.726 -16.965 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.654 12.311 -18.067 1.00 0.00 H new ATOM 982 N LEU A 71 -1.520 13.651 -20.716 1.00 0.00 N ATOM 983 CA LEU A 71 -0.582 14.110 -21.728 1.00 0.00 C ATOM 984 C LEU A 71 -1.302 15.054 -22.693 1.00 0.00 C ATOM 985 O LEU A 71 -0.807 16.141 -22.988 1.00 0.00 O ATOM 986 CB LEU A 71 0.087 12.919 -22.417 1.00 0.00 C ATOM 987 CG LEU A 71 -0.183 12.773 -23.916 1.00 0.00 C ATOM 988 CD1 LEU A 71 0.516 13.880 -24.709 1.00 0.00 C ATOM 989 CD2 LEU A 71 0.208 11.379 -24.411 1.00 0.00 C ATOM 0 H LEU A 71 -1.770 12.664 -20.782 1.00 0.00 H new ATOM 0 HA LEU A 71 0.227 14.679 -21.269 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.164 12.996 -22.268 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.239 12.006 -21.919 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.254 12.884 -24.082 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.308 13.753 -25.771 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.147 14.852 -24.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.591 13.825 -24.541 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.006 11.302 -25.479 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.270 11.213 -24.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.373 10.627 -23.877 1.00 0.00 H new ATOM 1001 N SER A 72 -2.459 14.606 -23.157 1.00 0.00 N ATOM 1002 CA SER A 72 -3.251 15.397 -24.082 1.00 0.00 C ATOM 1003 C SER A 72 -3.629 16.733 -23.438 1.00 0.00 C ATOM 1004 O SER A 72 -3.647 17.765 -24.107 1.00 0.00 O ATOM 1005 CB SER A 72 -4.510 14.642 -24.516 1.00 0.00 C ATOM 1006 OG SER A 72 -5.102 15.215 -25.678 1.00 0.00 O ATOM 0 H SER A 72 -2.867 13.705 -22.909 1.00 0.00 H new ATOM 0 HA SER A 72 -2.649 15.586 -24.971 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.258 13.600 -24.714 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.234 14.646 -23.701 1.00 0.00 H new ATOM 0 HG SER A 72 -5.441 16.109 -25.465 1.00 0.00 H new ATOM 1012 N ALA A 73 -3.922 16.669 -22.148 1.00 0.00 N ATOM 1013 CA ALA A 73 -4.298 17.860 -21.406 1.00 0.00 C ATOM 1014 C ALA A 73 -3.099 18.807 -21.328 1.00 0.00 C ATOM 1015 O ALA A 73 -3.257 20.024 -21.419 1.00 0.00 O ATOM 1016 CB ALA A 73 -4.814 17.459 -20.023 1.00 0.00 C ATOM 0 H ALA A 73 -3.907 15.811 -21.597 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.104 18.389 -21.914 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.096 18.353 -19.467 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.683 16.811 -20.133 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.031 16.927 -19.483 1.00 0.00 H new ATOM 1022 N MET A 74 -1.926 18.214 -21.161 1.00 0.00 N ATOM 1023 CA MET A 74 -0.701 18.989 -21.070 1.00 0.00 C ATOM 1024 C MET A 74 -0.443 19.761 -22.366 1.00 0.00 C ATOM 1025 O MET A 74 -0.126 20.949 -22.332 1.00 0.00 O ATOM 1026 CB MET A 74 0.477 18.053 -20.791 1.00 0.00 C ATOM 1027 CG MET A 74 1.265 18.515 -19.564 1.00 0.00 C ATOM 1028 SD MET A 74 2.998 18.656 -19.969 1.00 0.00 S ATOM 1029 CE MET A 74 3.427 16.929 -20.103 1.00 0.00 C ATOM 0 H MET A 74 -1.798 17.205 -21.086 1.00 0.00 H new ATOM 0 HA MET A 74 -0.807 19.706 -20.256 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.111 17.039 -20.632 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.135 18.022 -21.660 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.885 19.476 -19.218 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.130 17.806 -18.747 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.512 16.824 -20.123 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.025 16.387 -19.247 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.006 16.520 -21.021 1.00 0.00 H new ATOM 1039 N ARG A 75 -0.589 19.055 -23.477 1.00 0.00 N ATOM 1040 CA ARG A 75 -0.376 19.659 -24.781 1.00 0.00 C ATOM 1041 C ARG A 75 -1.582 20.514 -25.173 1.00 0.00 C ATOM 1042 O ARG A 75 -1.452 21.457 -25.952 1.00 0.00 O ATOM 1043 CB ARG A 75 -0.147 18.590 -25.852 1.00 0.00 C ATOM 1044 CG ARG A 75 0.306 19.223 -27.170 1.00 0.00 C ATOM 1045 CD ARG A 75 -0.422 18.593 -28.359 1.00 0.00 C ATOM 1046 NE ARG A 75 -1.852 18.974 -28.336 1.00 0.00 N ATOM 1047 CZ ARG A 75 -2.809 18.341 -29.029 1.00 0.00 C ATOM 1048 NH1 ARG A 75 -2.494 17.294 -29.804 1.00 0.00 N ATOM 1049 NH2 ARG A 75 -4.080 18.756 -28.948 1.00 0.00 N ATOM 0 H ARG A 75 -0.852 18.070 -23.501 1.00 0.00 H new ATOM 0 HA ARG A 75 0.512 20.287 -24.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.605 17.880 -25.508 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.067 18.027 -26.012 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.113 20.296 -27.148 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.382 19.095 -27.288 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.036 18.922 -29.292 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.326 17.508 -28.322 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.126 19.768 -27.757 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.526 16.979 -29.867 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.222 16.812 -30.331 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.320 19.554 -28.359 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.808 18.274 -29.475 1.00 0.00 H new ATOM 1063 N ASN A 76 -2.729 20.154 -24.616 1.00 0.00 N ATOM 1064 CA ASN A 76 -3.958 20.877 -24.897 1.00 0.00 C ATOM 1065 C ASN A 76 -3.943 22.210 -24.147 1.00 0.00 C ATOM 1066 O ASN A 76 -4.449 23.213 -24.647 1.00 0.00 O ATOM 1067 CB ASN A 76 -5.181 20.085 -24.431 1.00 0.00 C ATOM 1068 CG ASN A 76 -5.715 19.190 -25.552 1.00 0.00 C ATOM 1069 OD1 ASN A 76 -6.072 17.974 -25.149 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 -5.797 19.578 -26.705 1.00 0.00 N flip ATOM 0 H ASN A 76 -2.833 19.371 -23.971 1.00 0.00 H new ATOM 0 HA ASN A 76 -4.019 21.034 -25.974 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.916 19.474 -23.568 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.962 20.773 -24.107 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.505 20.525 -26.946 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.158 18.956 -27.428 1.00 0.00 H new ATOM 1077 N LEU A 77 -3.358 22.178 -22.959 1.00 0.00 N ATOM 1078 CA LEU A 77 -3.271 23.372 -22.135 1.00 0.00 C ATOM 1079 C LEU A 77 -1.852 23.938 -22.214 1.00 0.00 C ATOM 1080 O LEU A 77 -1.550 24.747 -23.090 1.00 0.00 O ATOM 1081 CB LEU A 77 -3.735 23.073 -20.708 1.00 0.00 C ATOM 1082 CG LEU A 77 -5.192 22.631 -20.555 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -5.295 21.370 -19.695 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -6.056 23.769 -20.009 1.00 0.00 C ATOM 0 H LEU A 77 -2.939 21.344 -22.547 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.944 24.143 -22.509 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.094 22.294 -20.295 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.582 23.966 -20.103 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.578 22.379 -21.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.341 21.077 -19.602 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.733 20.563 -20.164 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.885 21.570 -18.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.087 23.428 -19.910 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.680 24.075 -19.033 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.018 24.616 -20.694 1.00 0.00 H new ATOM 1096 N ASN A 78 -1.018 23.491 -21.286 1.00 0.00 N ATOM 1097 CA ASN A 78 0.362 23.944 -21.240 1.00 0.00 C ATOM 1098 C ASN A 78 0.425 25.418 -21.644 1.00 0.00 C ATOM 1099 O ASN A 78 0.623 25.737 -22.815 1.00 0.00 O ATOM 1100 CB ASN A 78 1.235 23.149 -22.214 1.00 0.00 C ATOM 1101 CG ASN A 78 2.478 23.948 -22.612 1.00 0.00 C ATOM 1102 OD1 ASN A 78 3.134 24.573 -21.795 1.00 0.00 O ATOM 1103 ND2 ASN A 78 2.764 23.892 -23.910 1.00 0.00 N ATOM 0 H ASN A 78 -1.271 22.820 -20.561 1.00 0.00 H new ATOM 0 HA ASN A 78 0.730 23.800 -20.224 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.535 22.208 -21.754 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.658 22.899 -23.104 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.575 24.391 -24.276 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.173 23.350 -24.540 1.00 0.00 H new ATOM 1110 N GLY A 79 0.252 26.279 -20.651 1.00 0.00 N ATOM 1111 CA GLY A 79 0.286 27.712 -20.889 1.00 0.00 C ATOM 1112 C GLY A 79 -1.046 28.205 -21.457 1.00 0.00 C ATOM 1113 O GLY A 79 -1.070 29.085 -22.317 1.00 0.00 O ATOM 0 H GLY A 79 0.088 26.011 -19.680 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.504 28.234 -19.957 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.092 27.950 -21.583 1.00 0.00 H new ATOM 1117 N ARG A 80 -2.122 27.617 -20.955 1.00 0.00 N ATOM 1118 CA ARG A 80 -3.454 27.986 -21.402 1.00 0.00 C ATOM 1119 C ARG A 80 -3.981 29.167 -20.583 1.00 0.00 C ATOM 1120 O ARG A 80 -4.094 29.078 -19.362 1.00 0.00 O ATOM 1121 CB ARG A 80 -4.424 26.811 -21.271 1.00 0.00 C ATOM 1122 CG ARG A 80 -5.843 27.224 -21.667 1.00 0.00 C ATOM 1123 CD ARG A 80 -6.230 26.628 -23.022 1.00 0.00 C ATOM 1124 NE ARG A 80 -7.638 26.173 -22.992 1.00 0.00 N ATOM 1125 CZ ARG A 80 -8.142 25.236 -23.807 1.00 0.00 C ATOM 1126 NH1 ARG A 80 -7.357 24.650 -24.721 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -9.432 24.886 -23.708 1.00 0.00 N ATOM 0 H ARG A 80 -2.098 26.887 -20.243 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.384 28.270 -22.452 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.091 25.988 -21.903 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.421 26.445 -20.244 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.548 26.892 -20.905 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.910 28.311 -21.711 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.096 27.372 -23.807 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.574 25.791 -23.261 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.264 26.599 -22.308 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.375 24.917 -24.797 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.741 23.937 -25.341 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.030 25.333 -23.013 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.816 24.173 -24.328 1.00 0.00 H new ATOM 1141 N GLU A 81 -4.288 30.245 -21.289 1.00 0.00 N ATOM 1142 CA GLU A 81 -4.800 31.442 -20.643 1.00 0.00 C ATOM 1143 C GLU A 81 -6.140 31.147 -19.965 1.00 0.00 C ATOM 1144 O GLU A 81 -6.987 30.458 -20.530 1.00 0.00 O ATOM 1145 CB GLU A 81 -4.933 32.591 -21.644 1.00 0.00 C ATOM 1146 CG GLU A 81 -3.685 32.700 -22.522 1.00 0.00 C ATOM 1147 CD GLU A 81 -4.059 32.724 -24.006 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -4.205 31.619 -24.572 1.00 0.00 O ATOM 1149 OE2 GLU A 81 -4.191 33.846 -24.540 1.00 0.00 O ATOM 0 H GLU A 81 -4.192 30.315 -22.302 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.088 31.751 -19.878 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.810 32.432 -22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.089 33.528 -21.109 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.135 33.606 -22.267 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.022 31.858 -22.324 1.00 0.00 H new ATOM 1156 N PHE A 82 -6.289 31.684 -18.763 1.00 0.00 N ATOM 1157 CA PHE A 82 -7.511 31.488 -18.002 1.00 0.00 C ATOM 1158 C PHE A 82 -7.575 32.445 -16.810 1.00 0.00 C ATOM 1159 O PHE A 82 -6.592 32.611 -16.090 1.00 0.00 O ATOM 1160 CB PHE A 82 -7.490 30.048 -17.485 1.00 0.00 C ATOM 1161 CG PHE A 82 -8.727 29.660 -16.673 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -8.761 29.893 -15.333 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -9.792 29.082 -17.290 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -9.909 29.533 -14.579 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -10.940 28.722 -16.536 1.00 0.00 C ATOM 1166 CZ PHE A 82 -10.974 28.955 -15.196 1.00 0.00 C ATOM 0 H PHE A 82 -5.584 32.255 -18.297 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.378 31.681 -18.634 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.397 29.370 -18.333 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.603 29.908 -16.867 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.915 30.352 -14.843 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.765 28.897 -18.354 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.936 29.718 -13.515 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.786 28.263 -17.026 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.847 28.681 -14.622 1.00 0.00 H new ATOM 1218 N ALA A 86 -2.025 32.551 -17.405 1.00 0.00 N ATOM 1219 CA ALA A 86 -1.643 31.358 -18.141 1.00 0.00 C ATOM 1220 C ALA A 86 -1.591 30.167 -17.182 1.00 0.00 C ATOM 1221 O ALA A 86 -1.143 30.301 -16.044 1.00 0.00 O ATOM 1222 CB ALA A 86 -0.306 31.598 -18.846 1.00 0.00 C ATOM 0 HA ALA A 86 -2.380 31.130 -18.911 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.020 30.703 -19.398 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.404 32.435 -19.538 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.460 31.828 -18.105 1.00 0.00 H new ATOM 1228 N LEU A 87 -2.055 29.029 -17.677 1.00 0.00 N ATOM 1229 CA LEU A 87 -2.067 27.815 -16.878 1.00 0.00 C ATOM 1230 C LEU A 87 -0.878 26.938 -17.273 1.00 0.00 C ATOM 1231 O LEU A 87 -0.952 26.185 -18.243 1.00 0.00 O ATOM 1232 CB LEU A 87 -3.419 27.109 -16.997 1.00 0.00 C ATOM 1233 CG LEU A 87 -4.396 27.331 -15.840 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -3.959 26.554 -14.597 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -4.573 28.823 -15.551 1.00 0.00 C ATOM 0 H LEU A 87 -2.425 28.922 -18.621 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.950 28.053 -15.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.898 27.438 -17.919 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.240 26.038 -17.095 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.371 26.943 -16.136 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.670 26.729 -13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.926 25.489 -14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.969 26.889 -14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.272 28.953 -14.725 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.610 29.259 -15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.963 29.322 -16.438 1.00 0.00 H new ATOM 1247 N ARG A 88 0.193 27.065 -16.502 1.00 0.00 N ATOM 1248 CA ARG A 88 1.396 26.293 -16.760 1.00 0.00 C ATOM 1249 C ARG A 88 1.173 24.824 -16.395 1.00 0.00 C ATOM 1250 O ARG A 88 1.186 24.464 -15.219 1.00 0.00 O ATOM 1251 CB ARG A 88 2.581 26.836 -15.960 1.00 0.00 C ATOM 1252 CG ARG A 88 3.800 27.049 -16.860 1.00 0.00 C ATOM 1253 CD ARG A 88 4.955 27.678 -16.079 1.00 0.00 C ATOM 1254 NE ARG A 88 6.184 27.677 -16.904 1.00 0.00 N ATOM 1255 CZ ARG A 88 7.391 28.047 -16.455 1.00 0.00 C ATOM 1256 NH1 ARG A 88 7.538 28.452 -15.186 1.00 0.00 N ATOM 1257 NH2 ARG A 88 8.450 28.014 -17.275 1.00 0.00 N ATOM 0 H ARG A 88 0.252 27.691 -15.699 1.00 0.00 H new ATOM 0 HA ARG A 88 1.621 26.376 -17.823 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.304 27.779 -15.488 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.833 26.141 -15.159 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.118 26.095 -17.280 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.530 27.692 -17.698 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.699 28.699 -15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.126 27.123 -15.157 1.00 0.00 H new ATOM 0 HE ARG A 88 6.107 27.376 -17.875 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.731 28.478 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.457 28.734 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.337 27.707 -18.241 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.369 28.296 -16.933 1.00 0.00 H new ATOM 1271 N VAL A 89 0.975 24.014 -17.425 1.00 0.00 N ATOM 1272 CA VAL A 89 0.749 22.593 -17.227 1.00 0.00 C ATOM 1273 C VAL A 89 2.000 21.819 -17.649 1.00 0.00 C ATOM 1274 O VAL A 89 2.450 21.933 -18.788 1.00 0.00 O ATOM 1275 CB VAL A 89 -0.508 22.152 -17.979 1.00 0.00 C ATOM 1276 CG1 VAL A 89 -0.875 20.707 -17.636 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -1.677 23.097 -17.693 1.00 0.00 C ATOM 0 H VAL A 89 0.966 24.315 -18.399 1.00 0.00 H new ATOM 0 HA VAL A 89 0.573 22.378 -16.173 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.293 22.198 -19.047 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.772 20.419 -18.184 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.053 20.047 -17.914 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.062 20.623 -16.565 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.558 22.761 -18.240 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.891 23.098 -16.624 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.415 24.106 -18.011 1.00 0.00 H new ATOM 1287 N ASP A 90 2.526 21.048 -16.708 1.00 0.00 N ATOM 1288 CA ASP A 90 3.715 20.256 -16.968 1.00 0.00 C ATOM 1289 C ASP A 90 3.561 18.882 -16.313 1.00 0.00 C ATOM 1290 O ASP A 90 3.072 18.777 -15.189 1.00 0.00 O ATOM 1291 CB ASP A 90 4.961 20.923 -16.380 1.00 0.00 C ATOM 1292 CG ASP A 90 4.703 22.238 -15.643 1.00 0.00 C ATOM 1293 OD1 ASP A 90 3.754 22.257 -14.830 1.00 0.00 O ATOM 1294 OD2 ASP A 90 5.460 23.196 -15.910 1.00 0.00 O ATOM 0 H ASP A 90 2.150 20.955 -15.764 1.00 0.00 H new ATOM 0 HA ASP A 90 3.830 20.165 -18.048 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.437 20.225 -15.691 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.670 21.109 -17.187 1.00 0.00 H new ATOM 1299 N ASN A 91 3.987 17.862 -17.043 1.00 0.00 N ATOM 1300 CA ASN A 91 3.902 16.499 -16.547 1.00 0.00 C ATOM 1301 C ASN A 91 4.237 16.482 -15.054 1.00 0.00 C ATOM 1302 O ASN A 91 5.332 16.876 -14.656 1.00 0.00 O ATOM 1303 CB ASN A 91 4.900 15.588 -17.266 1.00 0.00 C ATOM 1304 CG ASN A 91 4.255 14.251 -17.635 1.00 0.00 C ATOM 1305 OD1 ASN A 91 3.472 14.146 -18.565 1.00 0.00 O ATOM 1306 ND2 ASN A 91 4.625 13.239 -16.856 1.00 0.00 N ATOM 0 H ASN A 91 4.392 17.952 -17.975 1.00 0.00 H new ATOM 0 HA ASN A 91 2.889 16.138 -16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.264 16.081 -18.167 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.765 15.414 -16.626 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.249 12.305 -17.020 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.285 13.397 -16.094 1.00 0.00 H new ATOM 1313 N ALA A 92 3.274 16.023 -14.269 1.00 0.00 N ATOM 1314 CA ALA A 92 3.452 15.950 -12.829 1.00 0.00 C ATOM 1315 C ALA A 92 4.644 15.044 -12.513 1.00 0.00 C ATOM 1316 O ALA A 92 5.242 15.149 -11.443 1.00 0.00 O ATOM 1317 CB ALA A 92 2.158 15.458 -12.178 1.00 0.00 C ATOM 0 H ALA A 92 2.367 15.698 -14.603 1.00 0.00 H new ATOM 0 HA ALA A 92 3.668 16.936 -12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.292 15.403 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.349 16.151 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.910 14.469 -12.563 1.00 0.00 H new ATOM 1323 N ALA A 93 4.955 14.175 -13.464 1.00 0.00 N ATOM 1324 CA ALA A 93 6.065 13.252 -13.300 1.00 0.00 C ATOM 1325 C ALA A 93 7.337 13.884 -13.869 1.00 0.00 C ATOM 1326 O ALA A 93 8.158 13.197 -14.474 1.00 0.00 O ATOM 1327 CB ALA A 93 5.725 11.920 -13.971 1.00 0.00 C ATOM 0 H ALA A 93 4.458 14.091 -14.351 1.00 0.00 H new ATOM 0 HA ALA A 93 6.242 13.049 -12.244 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.558 11.228 -13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.831 11.498 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.543 12.084 -15.033 1.00 0.00 H new ATOM 1333 N SER A 94 7.459 15.186 -13.655 1.00 0.00 N ATOM 1334 CA SER A 94 8.617 15.918 -14.140 1.00 0.00 C ATOM 1335 C SER A 94 9.750 15.842 -13.115 1.00 0.00 C ATOM 1336 O SER A 94 9.503 15.673 -11.922 1.00 0.00 O ATOM 1337 CB SER A 94 8.263 17.377 -14.432 1.00 0.00 C ATOM 1338 OG SER A 94 8.078 17.613 -15.825 1.00 0.00 O ATOM 0 H SER A 94 6.776 15.753 -13.153 1.00 0.00 H new ATOM 0 HA SER A 94 8.947 15.459 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.353 17.644 -13.895 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.056 18.024 -14.057 1.00 0.00 H new ATOM 0 HG SER A 94 7.135 17.481 -16.057 1.00 0.00 H new ATOM 1344 N GLU A 95 10.969 15.970 -13.618 1.00 0.00 N ATOM 1345 CA GLU A 95 12.142 15.918 -12.761 1.00 0.00 C ATOM 1346 C GLU A 95 12.134 17.091 -11.778 1.00 0.00 C ATOM 1347 O GLU A 95 12.543 16.945 -10.628 1.00 0.00 O ATOM 1348 CB GLU A 95 13.427 15.907 -13.591 1.00 0.00 C ATOM 1349 CG GLU A 95 13.569 14.595 -14.364 1.00 0.00 C ATOM 1350 CD GLU A 95 15.041 14.208 -14.522 1.00 0.00 C ATOM 1351 OE1 GLU A 95 15.856 15.138 -14.708 1.00 0.00 O ATOM 1352 OE2 GLU A 95 15.318 12.991 -14.453 1.00 0.00 O ATOM 0 H GLU A 95 11.170 16.110 -14.608 1.00 0.00 H new ATOM 0 HA GLU A 95 12.110 14.990 -12.190 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.421 16.745 -14.288 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.288 16.043 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.035 13.801 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.108 14.696 -15.347 1.00 0.00 H new ATOM 1359 N LYS A 96 11.663 18.229 -12.268 1.00 0.00 N ATOM 1360 CA LYS A 96 11.596 19.426 -11.447 1.00 0.00 C ATOM 1361 C LYS A 96 10.344 19.368 -10.570 1.00 0.00 C ATOM 1362 O LYS A 96 10.350 19.855 -9.440 1.00 0.00 O ATOM 1363 CB LYS A 96 11.677 20.680 -12.321 1.00 0.00 C ATOM 1364 CG LYS A 96 11.328 21.933 -11.515 1.00 0.00 C ATOM 1365 CD LYS A 96 12.476 22.943 -11.547 1.00 0.00 C ATOM 1366 CE LYS A 96 12.259 24.053 -10.517 1.00 0.00 C ATOM 1367 NZ LYS A 96 13.484 24.262 -9.714 1.00 0.00 N ATOM 0 H LYS A 96 11.324 18.347 -13.223 1.00 0.00 H new ATOM 0 HA LYS A 96 12.454 19.477 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.682 20.776 -12.733 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.994 20.584 -13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.425 22.390 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.110 21.657 -10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.419 22.434 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.555 23.377 -12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.987 24.979 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.428 23.792 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.319 25.019 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.727 23.382 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.268 24.532 -10.341 1.00 0.00 H new ATOM 1381 N ASN A 97 9.300 18.768 -11.123 1.00 0.00 N ATOM 1382 CA ASN A 97 8.043 18.641 -10.405 1.00 0.00 C ATOM 1383 C ASN A 97 8.200 17.604 -9.291 1.00 0.00 C ATOM 1384 O ASN A 97 7.417 17.582 -8.343 1.00 0.00 O ATOM 1385 CB ASN A 97 6.923 18.170 -11.334 1.00 0.00 C ATOM 1386 CG ASN A 97 6.537 19.267 -12.328 1.00 0.00 C ATOM 1387 OD1 ASN A 97 7.076 20.361 -12.324 1.00 0.00 O ATOM 1388 ND2 ASN A 97 5.576 18.914 -13.177 1.00 0.00 N ATOM 0 H ASN A 97 9.299 18.365 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 97 7.787 19.619 -9.998 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.245 17.281 -11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.052 17.886 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.248 19.576 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.167 17.981 -13.125 1.00 0.00 H new ATOM 1395 N LYS A 98 9.218 16.769 -9.442 1.00 0.00 N ATOM 1396 CA LYS A 98 9.489 15.733 -8.461 1.00 0.00 C ATOM 1397 C LYS A 98 9.862 16.383 -7.127 1.00 0.00 C ATOM 1398 O LYS A 98 9.362 15.985 -6.077 1.00 0.00 O ATOM 1399 CB LYS A 98 10.545 14.759 -8.987 1.00 0.00 C ATOM 1400 CG LYS A 98 10.070 13.311 -8.855 1.00 0.00 C ATOM 1401 CD LYS A 98 9.657 12.743 -10.214 1.00 0.00 C ATOM 1402 CE LYS A 98 9.858 11.227 -10.259 1.00 0.00 C ATOM 1403 NZ LYS A 98 11.080 10.889 -11.023 1.00 0.00 N ATOM 0 H LYS A 98 9.865 16.789 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 98 8.596 15.134 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.761 14.981 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.475 14.892 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.866 12.701 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.227 13.262 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.611 12.981 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.243 13.215 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.935 10.834 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.991 10.753 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.202 9.856 -11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.992 11.247 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.906 11.326 -10.567 1.00 0.00 H new ATOM 1417 N GLU A 99 10.738 17.374 -7.213 1.00 0.00 N ATOM 1418 CA GLU A 99 11.184 18.083 -6.026 1.00 0.00 C ATOM 1419 C GLU A 99 9.999 18.765 -5.339 1.00 0.00 C ATOM 1420 O GLU A 99 9.937 18.820 -4.112 1.00 0.00 O ATOM 1421 CB GLU A 99 12.275 19.099 -6.372 1.00 0.00 C ATOM 1422 CG GLU A 99 13.313 19.191 -5.252 1.00 0.00 C ATOM 1423 CD GLU A 99 14.729 19.004 -5.801 1.00 0.00 C ATOM 1424 OE1 GLU A 99 15.039 17.859 -6.196 1.00 0.00 O ATOM 1425 OE2 GLU A 99 15.470 20.011 -5.813 1.00 0.00 O ATOM 0 H GLU A 99 11.150 17.702 -8.086 1.00 0.00 H new ATOM 0 HA GLU A 99 11.613 17.359 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.764 18.811 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.826 20.078 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.235 20.160 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.108 18.431 -4.498 1.00 0.00 H new ATOM 1432 N GLU A 100 9.088 19.266 -6.160 1.00 0.00 N ATOM 1433 CA GLU A 100 7.908 19.942 -5.646 1.00 0.00 C ATOM 1434 C GLU A 100 6.951 18.930 -5.013 1.00 0.00 C ATOM 1435 O GLU A 100 6.383 19.187 -3.953 1.00 0.00 O ATOM 1436 CB GLU A 100 7.211 20.742 -6.748 1.00 0.00 C ATOM 1437 CG GLU A 100 6.438 21.924 -6.161 1.00 0.00 C ATOM 1438 CD GLU A 100 5.803 22.768 -7.268 1.00 0.00 C ATOM 1439 OE1 GLU A 100 6.580 23.315 -8.080 1.00 0.00 O ATOM 1440 OE2 GLU A 100 4.556 22.848 -7.277 1.00 0.00 O ATOM 0 H GLU A 100 9.143 19.218 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 100 8.222 20.646 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.950 21.105 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.529 20.093 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.663 21.558 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.110 22.543 -5.567 1.00 0.00 H new ATOM 1447 N LEU A 101 6.801 17.801 -5.691 1.00 0.00 N ATOM 1448 CA LEU A 101 5.922 16.750 -5.208 1.00 0.00 C ATOM 1449 C LEU A 101 6.440 16.235 -3.864 1.00 0.00 C ATOM 1450 O LEU A 101 5.656 15.838 -3.003 1.00 0.00 O ATOM 1451 CB LEU A 101 5.765 15.656 -6.266 1.00 0.00 C ATOM 1452 CG LEU A 101 4.661 15.879 -7.302 1.00 0.00 C ATOM 1453 CD1 LEU A 101 5.153 15.536 -8.710 1.00 0.00 C ATOM 1454 CD2 LEU A 101 3.396 15.101 -6.932 1.00 0.00 C ATOM 0 H LEU A 101 7.273 17.592 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 101 4.920 17.141 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.713 15.548 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.573 14.711 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 101 4.400 16.937 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.349 15.703 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.003 16.170 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.458 14.490 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.627 15.277 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.624 14.036 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.035 15.435 -5.959 1.00 0.00 H new ATOM 1466 N LYS A 102 7.758 16.257 -3.725 1.00 0.00 N ATOM 1467 CA LYS A 102 8.390 15.798 -2.500 1.00 0.00 C ATOM 1468 C LYS A 102 7.724 16.478 -1.302 1.00 0.00 C ATOM 1469 O LYS A 102 7.676 15.912 -0.211 1.00 0.00 O ATOM 1470 CB LYS A 102 9.903 16.010 -2.566 1.00 0.00 C ATOM 1471 CG LYS A 102 10.542 15.091 -3.609 1.00 0.00 C ATOM 1472 CD LYS A 102 11.729 14.330 -3.015 1.00 0.00 C ATOM 1473 CE LYS A 102 11.406 12.842 -2.865 1.00 0.00 C ATOM 1474 NZ LYS A 102 12.642 12.032 -2.954 1.00 0.00 N ATOM 0 H LYS A 102 8.405 16.586 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 102 8.248 14.724 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.117 17.050 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.344 15.817 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.800 14.383 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.874 15.680 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.602 14.454 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.985 14.750 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.916 12.665 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.706 12.535 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.405 11.025 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.094 12.188 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.297 12.313 -2.197 1.00 0.00 H new ATOM 1488 N SER A 103 7.227 17.681 -1.546 1.00 0.00 N ATOM 1489 CA SER A 103 6.567 18.444 -0.501 1.00 0.00 C ATOM 1490 C SER A 103 5.093 18.043 -0.412 1.00 0.00 C ATOM 1491 O SER A 103 4.532 17.963 0.680 1.00 0.00 O ATOM 1492 CB SER A 103 6.693 19.948 -0.753 1.00 0.00 C ATOM 1493 OG SER A 103 8.054 20.368 -0.806 1.00 0.00 O ATOM 0 H SER A 103 7.268 18.146 -2.453 1.00 0.00 H new ATOM 0 HA SER A 103 7.056 18.220 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.199 20.201 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.176 20.493 0.037 1.00 0.00 H new ATOM 0 HG SER A 103 8.092 21.333 -0.970 1.00 0.00 H new ATOM 1499 N LEU A 104 4.507 17.802 -1.576 1.00 0.00 N ATOM 1500 CA LEU A 104 3.109 17.411 -1.644 1.00 0.00 C ATOM 1501 C LEU A 104 2.984 15.922 -1.318 1.00 0.00 C ATOM 1502 O LEU A 104 1.886 15.368 -1.338 1.00 0.00 O ATOM 1503 CB LEU A 104 2.510 17.797 -2.998 1.00 0.00 C ATOM 1504 CG LEU A 104 1.186 18.563 -2.951 1.00 0.00 C ATOM 1505 CD1 LEU A 104 1.236 19.682 -1.909 1.00 0.00 C ATOM 1506 CD2 LEU A 104 0.808 19.088 -4.338 1.00 0.00 C ATOM 0 H LEU A 104 4.975 17.870 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 104 2.526 17.951 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.239 18.403 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.360 16.887 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 104 0.402 17.872 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.283 20.210 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.427 19.254 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.034 20.380 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.137 19.629 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.588 19.759 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.703 18.251 -5.028 1.00 0.00 H new