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 74 MET CE :methyl -164:sc= -0.314 (180deg=-0.258) USER MOD Set 1.2: A 91 ASN : amide:sc= -3.05! K(o=-3.4!,f=-7) USER MOD Set 2.1: A 72 SER OG : rot -76:sc= 1.18 USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -2.48! C(o=-4.6!,f=-1.3!) USER MOD Single : A 14 SER OG : rot 34:sc= 0.0022 USER MOD Single : A 17 SER OG : rot 59:sc= 0.816 USER MOD Single : A 22 ASN : amide:sc= -0.141 K(o=-0.14,f=-1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 31 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 86:sc= 1 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 180:sc= 0 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= -2.69! USER MOD Single : A 62 CYS SG : rot 105:sc= -2.46! USER MOD Single : A 64 TYR OH : rot 119:sc= 1.15 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 67 GLN : amide:sc= -7.37! C(o=-7.4!,f=-18!) USER MOD Single : A 69 THR OG1 : rot -169:sc= 0.0134 USER MOD Single : A 78 ASN : amide:sc= -1.04 K(o=-1,f=-1.7!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -8.28! C(o=-9.3!,f=-8.3!) 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 -6.188 2.471 3.612 1.00 0.00 N ATOM 90 CA SER A 14 -7.492 2.433 4.252 1.00 0.00 C ATOM 91 C SER A 14 -7.380 1.780 5.631 1.00 0.00 C ATOM 92 O SER A 14 -8.006 2.231 6.588 1.00 0.00 O ATOM 93 CB SER A 14 -8.507 1.681 3.389 1.00 0.00 C ATOM 94 OG SER A 14 -8.780 2.363 2.168 1.00 0.00 O ATOM 0 HA SER A 14 -7.845 3.458 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.127 0.683 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.434 1.554 3.948 1.00 0.00 H new ATOM 0 HG SER A 14 -7.968 2.814 1.856 1.00 0.00 H new ATOM 100 N LEU A 15 -6.577 0.727 5.688 1.00 0.00 N ATOM 101 CA LEU A 15 -6.374 0.007 6.934 1.00 0.00 C ATOM 102 C LEU A 15 -5.579 0.886 7.902 1.00 0.00 C ATOM 103 O LEU A 15 -5.518 0.600 9.097 1.00 0.00 O ATOM 104 CB LEU A 15 -5.728 -1.354 6.667 1.00 0.00 C ATOM 105 CG LEU A 15 -6.567 -2.348 5.861 1.00 0.00 C ATOM 106 CD1 LEU A 15 -7.808 -2.780 6.645 1.00 0.00 C ATOM 107 CD2 LEU A 15 -6.927 -1.775 4.489 1.00 0.00 C ATOM 0 H LEU A 15 -6.059 0.355 4.891 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.331 -0.208 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.788 -1.191 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.481 -1.811 7.625 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.967 -3.242 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.387 -3.486 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.502 -3.256 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.420 -1.906 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.523 -2.501 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.500 -0.857 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.014 -1.558 3.934 1.00 0.00 H new ATOM 119 N ARG A 16 -4.991 1.937 7.350 1.00 0.00 N ATOM 120 CA ARG A 16 -4.203 2.859 8.150 1.00 0.00 C ATOM 121 C ARG A 16 -4.953 4.180 8.330 1.00 0.00 C ATOM 122 O ARG A 16 -4.548 5.207 7.788 1.00 0.00 O ATOM 123 CB ARG A 16 -2.847 3.135 7.496 1.00 0.00 C ATOM 124 CG ARG A 16 -1.902 1.945 7.671 1.00 0.00 C ATOM 125 CD ARG A 16 -0.561 2.204 6.980 1.00 0.00 C ATOM 126 NE ARG A 16 -0.109 3.587 7.255 1.00 0.00 N ATOM 127 CZ ARG A 16 0.742 4.267 6.476 1.00 0.00 C ATOM 128 NH1 ARG A 16 1.240 3.698 5.370 1.00 0.00 N ATOM 129 NH2 ARG A 16 1.097 5.517 6.803 1.00 0.00 N ATOM 0 H ARG A 16 -5.044 2.171 6.359 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.037 2.396 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.986 3.340 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.401 4.026 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.738 1.759 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.361 1.047 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.184 1.492 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.661 2.052 5.905 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.468 4.051 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.971 2.746 5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.888 4.217 4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.719 5.951 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.745 6.035 6.210 1.00 0.00 H new ATOM 143 N SER A 17 -6.033 4.111 9.094 1.00 0.00 N ATOM 144 CA SER A 17 -6.844 5.289 9.353 1.00 0.00 C ATOM 145 C SER A 17 -7.982 4.940 10.315 1.00 0.00 C ATOM 146 O SER A 17 -8.648 3.920 10.149 1.00 0.00 O ATOM 147 CB SER A 17 -7.406 5.867 8.053 1.00 0.00 C ATOM 148 OG SER A 17 -6.431 6.623 7.340 1.00 0.00 O ATOM 0 H SER A 17 -6.366 3.257 9.542 1.00 0.00 H new ATOM 0 HA SER A 17 -6.209 6.047 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.768 5.055 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.263 6.502 8.279 1.00 0.00 H new ATOM 0 HG SER A 17 -5.661 6.053 7.135 1.00 0.00 H new ATOM 154 N VAL A 18 -8.169 5.808 11.299 1.00 0.00 N ATOM 155 CA VAL A 18 -9.215 5.604 12.287 1.00 0.00 C ATOM 156 C VAL A 18 -10.142 6.821 12.300 1.00 0.00 C ATOM 157 O VAL A 18 -9.686 7.951 12.466 1.00 0.00 O ATOM 158 CB VAL A 18 -8.593 5.312 13.654 1.00 0.00 C ATOM 159 CG1 VAL A 18 -8.540 3.806 13.921 1.00 0.00 C ATOM 160 CG2 VAL A 18 -7.202 5.939 13.769 1.00 0.00 C ATOM 0 H VAL A 18 -7.614 6.653 11.433 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.821 4.736 12.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.228 5.765 14.415 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.094 3.625 14.899 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.550 3.397 13.902 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.938 3.321 13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.783 5.716 14.750 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.553 5.529 12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.278 7.019 13.644 1.00 0.00 H new ATOM 170 N PHE A 19 -11.426 6.548 12.122 1.00 0.00 N ATOM 171 CA PHE A 19 -12.422 7.607 12.111 1.00 0.00 C ATOM 172 C PHE A 19 -12.784 8.033 13.535 1.00 0.00 C ATOM 173 O PHE A 19 -13.102 7.194 14.376 1.00 0.00 O ATOM 174 CB PHE A 19 -13.668 7.041 11.427 1.00 0.00 C ATOM 175 CG PHE A 19 -14.771 8.075 11.192 1.00 0.00 C ATOM 176 CD1 PHE A 19 -14.457 9.307 10.709 1.00 0.00 C ATOM 177 CD2 PHE A 19 -16.066 7.762 11.466 1.00 0.00 C ATOM 178 CE1 PHE A 19 -15.482 10.266 10.490 1.00 0.00 C ATOM 179 CE2 PHE A 19 -17.090 8.721 11.248 1.00 0.00 C ATOM 180 CZ PHE A 19 -16.776 9.953 10.764 1.00 0.00 C ATOM 0 H PHE A 19 -11.800 5.609 11.984 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.032 8.480 11.588 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -13.379 6.608 10.469 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -14.068 6.230 12.036 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.429 9.556 10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -16.315 6.784 11.850 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.233 11.244 10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.118 8.472 11.466 1.00 0.00 H new ATOM 0 HZ PHE A 19 -17.555 10.682 10.597 1.00 0.00 H new ATOM 190 N VAL A 20 -12.725 9.337 13.761 1.00 0.00 N ATOM 191 CA VAL A 20 -13.043 9.885 15.069 1.00 0.00 C ATOM 192 C VAL A 20 -14.280 10.778 14.955 1.00 0.00 C ATOM 193 O VAL A 20 -14.367 11.613 14.056 1.00 0.00 O ATOM 194 CB VAL A 20 -11.827 10.617 15.640 1.00 0.00 C ATOM 195 CG1 VAL A 20 -11.904 12.117 15.348 1.00 0.00 C ATOM 196 CG2 VAL A 20 -11.685 10.357 17.141 1.00 0.00 C ATOM 0 H VAL A 20 -12.462 10.030 13.061 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.282 9.086 15.770 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.938 10.225 15.147 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.028 12.614 15.764 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.934 12.277 14.270 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.805 12.530 15.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.813 10.889 17.521 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.578 10.709 17.657 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.562 9.288 17.315 1.00 0.00 H new ATOM 206 N GLY A 21 -15.206 10.572 15.880 1.00 0.00 N ATOM 207 CA GLY A 21 -16.435 11.348 15.895 1.00 0.00 C ATOM 208 C GLY A 21 -17.056 11.365 17.293 1.00 0.00 C ATOM 209 O GLY A 21 -16.752 10.507 18.122 1.00 0.00 O ATOM 0 H GLY A 21 -15.130 9.879 16.625 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.229 12.369 15.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.144 10.926 15.183 1.00 0.00 H new ATOM 213 N ASN A 22 -17.915 12.349 17.513 1.00 0.00 N ATOM 214 CA ASN A 22 -18.581 12.489 18.797 1.00 0.00 C ATOM 215 C ASN A 22 -17.644 13.193 19.779 1.00 0.00 C ATOM 216 O ASN A 22 -17.629 12.872 20.967 1.00 0.00 O ATOM 217 CB ASN A 22 -18.940 11.122 19.382 1.00 0.00 C ATOM 218 CG ASN A 22 -20.200 11.208 20.245 1.00 0.00 C ATOM 219 OD1 ASN A 22 -21.136 11.935 19.952 1.00 0.00 O ATOM 220 ND2 ASN A 22 -20.173 10.429 21.322 1.00 0.00 N ATOM 0 H ASN A 22 -18.165 13.058 16.823 1.00 0.00 H new ATOM 0 HA ASN A 22 -19.493 13.066 18.643 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -19.096 10.407 18.574 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.109 10.750 19.981 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -20.967 10.416 21.962 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -19.358 9.845 21.508 1.00 0.00 H new ATOM 227 N ILE A 23 -16.884 14.140 19.248 1.00 0.00 N ATOM 228 CA ILE A 23 -15.946 14.892 20.064 1.00 0.00 C ATOM 229 C ILE A 23 -16.404 16.349 20.148 1.00 0.00 C ATOM 230 O ILE A 23 -16.966 16.883 19.192 1.00 0.00 O ATOM 231 CB ILE A 23 -14.521 14.725 19.533 1.00 0.00 C ATOM 232 CG1 ILE A 23 -14.439 13.568 18.535 1.00 0.00 C ATOM 233 CG2 ILE A 23 -13.523 14.563 20.682 1.00 0.00 C ATOM 234 CD1 ILE A 23 -13.061 13.511 17.872 1.00 0.00 C ATOM 0 H ILE A 23 -16.899 14.404 18.263 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.930 14.503 21.082 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.249 15.633 18.995 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.639 12.627 19.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.209 13.686 17.772 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.518 14.446 20.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.557 15.446 21.320 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.783 13.681 21.268 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.030 12.680 17.168 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.874 14.444 17.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.296 13.368 18.635 1.00 0.00 H new ATOM 246 N PRO A 24 -16.140 16.968 21.330 1.00 0.00 N ATOM 247 CA PRO A 24 -16.519 18.353 21.551 1.00 0.00 C ATOM 248 C PRO A 24 -15.581 19.304 20.804 1.00 0.00 C ATOM 249 O PRO A 24 -14.870 18.889 19.890 1.00 0.00 O ATOM 250 CB PRO A 24 -16.475 18.537 23.059 1.00 0.00 C ATOM 251 CG PRO A 24 -15.628 17.394 23.594 1.00 0.00 C ATOM 252 CD PRO A 24 -15.476 16.367 22.483 1.00 0.00 C ATOM 0 HA PRO A 24 -17.511 18.585 21.164 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.041 19.501 23.322 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.478 18.512 23.485 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.652 17.759 23.913 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.101 16.945 24.467 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.426 16.163 22.273 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.937 15.418 22.755 1.00 0.00 H new ATOM 260 N TYR A 25 -15.611 20.561 21.221 1.00 0.00 N ATOM 261 CA TYR A 25 -14.772 21.574 20.603 1.00 0.00 C ATOM 262 C TYR A 25 -13.509 21.820 21.431 1.00 0.00 C ATOM 263 O TYR A 25 -12.491 22.262 20.900 1.00 0.00 O ATOM 264 CB TYR A 25 -15.608 22.855 20.578 1.00 0.00 C ATOM 265 CG TYR A 25 -16.788 22.809 19.605 1.00 0.00 C ATOM 266 CD1 TYR A 25 -16.585 22.443 18.290 1.00 0.00 C ATOM 267 CD2 TYR A 25 -18.056 23.134 20.042 1.00 0.00 C ATOM 268 CE1 TYR A 25 -17.695 22.399 17.374 1.00 0.00 C ATOM 269 CE2 TYR A 25 -19.167 23.091 19.126 1.00 0.00 C ATOM 270 CZ TYR A 25 -18.931 22.725 17.838 1.00 0.00 C ATOM 271 OH TYR A 25 -19.980 22.684 16.973 1.00 0.00 O ATOM 0 H TYR A 25 -16.203 20.901 21.979 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.459 21.259 19.608 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -15.985 23.050 21.582 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.963 23.692 20.312 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -15.593 22.189 17.948 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.215 23.421 21.071 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.549 22.114 16.343 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.164 23.344 19.455 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.801 22.940 17.442 1.00 0.00 H new ATOM 281 N GLU A 26 -13.617 21.523 22.718 1.00 0.00 N ATOM 282 CA GLU A 26 -12.496 21.706 23.624 1.00 0.00 C ATOM 283 C GLU A 26 -11.382 20.707 23.300 1.00 0.00 C ATOM 284 O GLU A 26 -10.280 20.806 23.836 1.00 0.00 O ATOM 285 CB GLU A 26 -12.942 21.575 25.081 1.00 0.00 C ATOM 286 CG GLU A 26 -12.339 22.688 25.941 1.00 0.00 C ATOM 287 CD GLU A 26 -11.219 22.147 26.831 1.00 0.00 C ATOM 288 OE1 GLU A 26 -11.561 21.490 27.838 1.00 0.00 O ATOM 289 OE2 GLU A 26 -10.045 22.402 26.485 1.00 0.00 O ATOM 0 H GLU A 26 -14.463 21.157 23.154 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.105 22.714 23.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.030 21.616 25.137 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.639 20.604 25.472 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.949 23.478 25.299 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.116 23.136 26.560 1.00 0.00 H new ATOM 296 N ALA A 27 -11.710 19.769 22.424 1.00 0.00 N ATOM 297 CA ALA A 27 -10.751 18.753 22.022 1.00 0.00 C ATOM 298 C ALA A 27 -10.293 19.030 20.589 1.00 0.00 C ATOM 299 O ALA A 27 -10.966 18.648 19.633 1.00 0.00 O ATOM 300 CB ALA A 27 -11.381 17.367 22.176 1.00 0.00 C ATOM 0 H ALA A 27 -12.626 19.691 21.981 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.869 18.782 22.662 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.662 16.605 21.875 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.662 17.209 23.217 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.268 17.298 21.546 1.00 0.00 H new ATOM 306 N THR A 28 -9.149 19.691 20.485 1.00 0.00 N ATOM 307 CA THR A 28 -8.593 20.023 19.185 1.00 0.00 C ATOM 308 C THR A 28 -7.674 18.902 18.696 1.00 0.00 C ATOM 309 O THR A 28 -7.413 17.946 19.425 1.00 0.00 O ATOM 310 CB THR A 28 -7.890 21.377 19.303 1.00 0.00 C ATOM 311 OG1 THR A 28 -7.216 21.310 20.557 1.00 0.00 O ATOM 312 CG2 THR A 28 -8.875 22.536 19.470 1.00 0.00 C ATOM 0 H THR A 28 -8.593 20.005 21.280 1.00 0.00 H new ATOM 0 HA THR A 28 -9.375 20.111 18.431 1.00 0.00 H new ATOM 0 HB THR A 28 -7.278 21.546 18.417 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.732 22.148 20.713 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.324 23.473 19.549 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.539 22.577 18.606 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.465 22.385 20.374 1.00 0.00 H new ATOM 320 N GLU A 29 -7.208 19.056 17.465 1.00 0.00 N ATOM 321 CA GLU A 29 -6.324 18.068 16.870 1.00 0.00 C ATOM 322 C GLU A 29 -5.074 17.886 17.734 1.00 0.00 C ATOM 323 O GLU A 29 -4.499 16.800 17.779 1.00 0.00 O ATOM 324 CB GLU A 29 -5.949 18.459 15.439 1.00 0.00 C ATOM 325 CG GLU A 29 -6.854 17.759 14.424 1.00 0.00 C ATOM 326 CD GLU A 29 -6.258 17.829 13.017 1.00 0.00 C ATOM 327 OE1 GLU A 29 -5.015 17.727 12.922 1.00 0.00 O ATOM 328 OE2 GLU A 29 -7.057 17.983 12.069 1.00 0.00 O ATOM 0 H GLU A 29 -7.426 19.850 16.863 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.853 17.116 16.825 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.031 19.539 15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.909 18.195 15.247 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.992 16.717 14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.840 18.224 14.429 1.00 0.00 H new ATOM 335 N GLU A 30 -4.691 18.966 18.400 1.00 0.00 N ATOM 336 CA GLU A 30 -3.521 18.938 19.260 1.00 0.00 C ATOM 337 C GLU A 30 -3.741 17.972 20.426 1.00 0.00 C ATOM 338 O GLU A 30 -2.799 17.333 20.894 1.00 0.00 O ATOM 339 CB GLU A 30 -3.181 20.341 19.768 1.00 0.00 C ATOM 340 CG GLU A 30 -1.685 20.629 19.624 1.00 0.00 C ATOM 341 CD GLU A 30 -1.414 21.536 18.423 1.00 0.00 C ATOM 342 OE1 GLU A 30 -1.858 21.161 17.316 1.00 0.00 O ATOM 343 OE2 GLU A 30 -0.770 22.585 18.638 1.00 0.00 O ATOM 0 H GLU A 30 -5.171 19.865 18.361 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.673 18.583 18.675 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.753 21.082 19.210 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.474 20.434 20.814 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.313 21.102 20.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.140 19.692 19.507 1.00 0.00 H new ATOM 350 N GLN A 31 -4.990 17.894 20.860 1.00 0.00 N ATOM 351 CA GLN A 31 -5.346 17.016 21.962 1.00 0.00 C ATOM 352 C GLN A 31 -5.664 15.613 21.441 1.00 0.00 C ATOM 353 O GLN A 31 -5.211 14.619 22.006 1.00 0.00 O ATOM 354 CB GLN A 31 -6.521 17.584 22.759 1.00 0.00 C ATOM 355 CG GLN A 31 -6.104 18.838 23.532 1.00 0.00 C ATOM 356 CD GLN A 31 -6.650 18.807 24.961 1.00 0.00 C ATOM 357 OE1 GLN A 31 -6.202 18.053 25.808 1.00 0.00 O ATOM 358 NE2 GLN A 31 -7.640 19.668 25.180 1.00 0.00 N ATOM 0 H GLN A 31 -5.768 18.424 20.469 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.492 16.948 22.636 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.341 17.825 22.083 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.892 16.831 23.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.017 18.910 23.556 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.471 19.726 23.017 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.967 20.271 24.426 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.072 19.725 26.102 1.00 0.00 H new ATOM 367 N LEU A 32 -6.442 15.577 20.369 1.00 0.00 N ATOM 368 CA LEU A 32 -6.827 14.312 19.765 1.00 0.00 C ATOM 369 C LEU A 32 -5.569 13.551 19.342 1.00 0.00 C ATOM 370 O LEU A 32 -5.421 12.369 19.650 1.00 0.00 O ATOM 371 CB LEU A 32 -7.819 14.543 18.624 1.00 0.00 C ATOM 372 CG LEU A 32 -9.281 14.733 19.034 1.00 0.00 C ATOM 373 CD1 LEU A 32 -9.443 15.962 19.931 1.00 0.00 C ATOM 374 CD2 LEU A 32 -10.191 14.796 17.806 1.00 0.00 C ATOM 0 H LEU A 32 -6.816 16.403 19.903 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.350 13.687 20.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.502 15.424 18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.761 13.695 17.941 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.588 13.865 19.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.491 16.075 20.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.841 15.837 20.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.112 16.851 19.394 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.224 14.931 18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.893 15.634 17.175 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.105 13.868 17.241 1.00 0.00 H new ATOM 386 N LYS A 33 -4.694 14.259 18.643 1.00 0.00 N ATOM 387 CA LYS A 33 -3.454 13.665 18.174 1.00 0.00 C ATOM 388 C LYS A 33 -2.665 13.132 19.371 1.00 0.00 C ATOM 389 O LYS A 33 -2.029 12.083 19.283 1.00 0.00 O ATOM 390 CB LYS A 33 -2.673 14.662 17.316 1.00 0.00 C ATOM 391 CG LYS A 33 -1.678 13.940 16.404 1.00 0.00 C ATOM 392 CD LYS A 33 -1.741 14.492 14.979 1.00 0.00 C ATOM 393 CE LYS A 33 -0.365 14.973 14.516 1.00 0.00 C ATOM 394 NZ LYS A 33 -0.362 15.206 13.054 1.00 0.00 N ATOM 0 H LYS A 33 -4.820 15.239 18.390 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.660 12.815 17.524 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.366 15.248 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.140 15.362 17.960 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.668 14.055 16.798 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.897 12.872 16.394 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.107 13.720 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.452 15.317 14.936 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.100 15.893 15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.392 14.232 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.580 15.532 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.593 14.320 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.070 15.930 12.816 1.00 0.00 H new ATOM 408 N ASP A 34 -2.731 13.880 20.463 1.00 0.00 N ATOM 409 CA ASP A 34 -2.030 13.496 21.677 1.00 0.00 C ATOM 410 C ASP A 34 -2.672 12.232 22.253 1.00 0.00 C ATOM 411 O ASP A 34 -1.978 11.366 22.784 1.00 0.00 O ATOM 412 CB ASP A 34 -2.119 14.596 22.736 1.00 0.00 C ATOM 413 CG ASP A 34 -0.805 14.913 23.452 1.00 0.00 C ATOM 414 OD1 ASP A 34 0.223 14.986 22.745 1.00 0.00 O ATOM 415 OD2 ASP A 34 -0.858 15.074 24.690 1.00 0.00 O ATOM 0 H ASP A 34 -3.259 14.750 20.532 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.984 13.325 21.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.486 15.507 22.262 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.859 14.303 23.481 1.00 0.00 H new ATOM 420 N ILE A 35 -3.989 12.165 22.128 1.00 0.00 N ATOM 421 CA ILE A 35 -4.732 11.022 22.629 1.00 0.00 C ATOM 422 C ILE A 35 -4.391 9.790 21.789 1.00 0.00 C ATOM 423 O ILE A 35 -4.102 8.724 22.332 1.00 0.00 O ATOM 424 CB ILE A 35 -6.228 11.336 22.682 1.00 0.00 C ATOM 425 CG1 ILE A 35 -6.501 12.564 23.553 1.00 0.00 C ATOM 426 CG2 ILE A 35 -7.029 10.116 23.143 1.00 0.00 C ATOM 427 CD1 ILE A 35 -7.662 13.387 22.992 1.00 0.00 C ATOM 0 H ILE A 35 -4.561 12.885 21.686 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.441 10.799 23.655 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.562 11.577 21.673 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.732 12.248 24.570 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.605 13.182 23.607 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.089 10.367 23.172 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.870 9.292 22.447 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.699 9.819 24.139 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.835 14.254 23.630 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.417 13.721 21.984 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.562 12.773 22.962 1.00 0.00 H new ATOM 439 N PHE A 36 -4.437 9.976 20.478 1.00 0.00 N ATOM 440 CA PHE A 36 -4.136 8.893 19.557 1.00 0.00 C ATOM 441 C PHE A 36 -2.653 8.521 19.613 1.00 0.00 C ATOM 442 O PHE A 36 -2.294 7.358 19.435 1.00 0.00 O ATOM 443 CB PHE A 36 -4.472 9.394 18.151 1.00 0.00 C ATOM 444 CG PHE A 36 -5.916 9.125 17.723 1.00 0.00 C ATOM 445 CD1 PHE A 36 -6.944 9.459 18.549 1.00 0.00 C ATOM 446 CD2 PHE A 36 -6.172 8.552 16.516 1.00 0.00 C ATOM 447 CE1 PHE A 36 -8.284 9.209 18.151 1.00 0.00 C ATOM 448 CE2 PHE A 36 -7.512 8.303 16.119 1.00 0.00 C ATOM 449 CZ PHE A 36 -8.540 8.636 16.945 1.00 0.00 C ATOM 0 H PHE A 36 -4.678 10.861 20.031 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.715 8.008 19.822 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.284 10.467 18.104 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.798 8.921 17.437 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.741 9.914 19.507 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.356 8.287 15.860 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.100 9.474 18.807 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.715 7.849 15.160 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.559 8.445 16.643 1.00 0.00 H new ATOM 459 N SER A 37 -1.832 9.531 19.859 1.00 0.00 N ATOM 460 CA SER A 37 -0.396 9.325 19.940 1.00 0.00 C ATOM 461 C SER A 37 -0.062 8.428 21.134 1.00 0.00 C ATOM 462 O SER A 37 0.891 7.652 21.084 1.00 0.00 O ATOM 463 CB SER A 37 0.346 10.658 20.055 1.00 0.00 C ATOM 464 OG SER A 37 0.231 11.437 18.867 1.00 0.00 O ATOM 0 H SER A 37 -2.134 10.494 20.005 1.00 0.00 H new ATOM 0 HA SER A 37 -0.069 8.835 19.023 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.051 11.222 20.899 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.399 10.470 20.265 1.00 0.00 H new ATOM 0 HG SER A 37 -0.595 11.963 18.900 1.00 0.00 H new ATOM 470 N GLU A 38 -0.866 8.563 22.178 1.00 0.00 N ATOM 471 CA GLU A 38 -0.668 7.774 23.382 1.00 0.00 C ATOM 472 C GLU A 38 -0.881 6.288 23.084 1.00 0.00 C ATOM 473 O GLU A 38 -0.529 5.433 23.894 1.00 0.00 O ATOM 474 CB GLU A 38 -1.594 8.246 24.505 1.00 0.00 C ATOM 475 CG GLU A 38 -2.859 7.388 24.569 1.00 0.00 C ATOM 476 CD GLU A 38 -3.978 8.116 25.317 1.00 0.00 C ATOM 477 OE1 GLU A 38 -4.691 8.897 24.651 1.00 0.00 O ATOM 478 OE2 GLU A 38 -4.095 7.875 26.538 1.00 0.00 O ATOM 0 H GLU A 38 -1.656 9.207 22.215 1.00 0.00 H new ATOM 0 HA GLU A 38 0.359 7.913 23.720 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.069 8.198 25.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.866 9.289 24.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.190 7.145 23.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.638 6.444 25.067 1.00 0.00 H new ATOM 485 N VAL A 39 -1.455 6.027 21.919 1.00 0.00 N ATOM 486 CA VAL A 39 -1.718 4.660 21.503 1.00 0.00 C ATOM 487 C VAL A 39 -0.703 4.252 20.434 1.00 0.00 C ATOM 488 O VAL A 39 -0.816 3.179 19.843 1.00 0.00 O ATOM 489 CB VAL A 39 -3.168 4.526 21.033 1.00 0.00 C ATOM 490 CG1 VAL A 39 -3.567 3.055 20.901 1.00 0.00 C ATOM 491 CG2 VAL A 39 -4.120 5.270 21.972 1.00 0.00 C ATOM 0 H VAL A 39 -1.746 6.740 21.250 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.598 3.976 22.343 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.244 4.984 20.047 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.602 2.987 20.566 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.918 2.566 20.175 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.466 2.562 21.868 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.144 5.159 21.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.039 4.855 22.976 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.856 6.327 21.994 1.00 0.00 H new ATOM 501 N GLY A 40 0.266 5.129 20.218 1.00 0.00 N ATOM 502 CA GLY A 40 1.300 4.874 19.230 1.00 0.00 C ATOM 503 C GLY A 40 1.675 6.156 18.483 1.00 0.00 C ATOM 504 O GLY A 40 1.155 7.229 18.786 1.00 0.00 O ATOM 0 H GLY A 40 0.357 6.018 20.711 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.183 4.463 19.720 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.952 4.124 18.520 1.00 0.00 H new ATOM 508 N PRO A 41 2.598 5.998 17.497 1.00 0.00 N ATOM 509 CA PRO A 41 3.047 7.130 16.705 1.00 0.00 C ATOM 510 C PRO A 41 1.982 7.546 15.689 1.00 0.00 C ATOM 511 O PRO A 41 1.642 6.778 14.791 1.00 0.00 O ATOM 512 CB PRO A 41 4.340 6.666 16.054 1.00 0.00 C ATOM 513 CG PRO A 41 4.324 5.148 16.131 1.00 0.00 C ATOM 514 CD PRO A 41 3.235 4.742 17.111 1.00 0.00 C ATOM 0 HA PRO A 41 3.217 8.023 17.306 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.400 7.004 15.019 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.207 7.074 16.573 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.132 4.718 15.148 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.293 4.772 16.460 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.520 4.061 16.649 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.653 4.227 17.976 1.00 0.00 H new ATOM 522 N VAL A 42 1.485 8.762 15.865 1.00 0.00 N ATOM 523 CA VAL A 42 0.465 9.289 14.975 1.00 0.00 C ATOM 524 C VAL A 42 1.137 9.928 13.758 1.00 0.00 C ATOM 525 O VAL A 42 1.952 10.838 13.900 1.00 0.00 O ATOM 526 CB VAL A 42 -0.442 10.260 15.734 1.00 0.00 C ATOM 527 CG1 VAL A 42 -1.109 11.249 14.777 1.00 0.00 C ATOM 528 CG2 VAL A 42 -1.486 9.503 16.558 1.00 0.00 C ATOM 0 H VAL A 42 1.770 9.397 16.611 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.175 8.485 14.610 1.00 0.00 H new ATOM 0 HB VAL A 42 0.180 10.831 16.424 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.748 11.928 15.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.343 11.822 14.254 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.712 10.703 14.051 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.118 10.216 17.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.102 8.895 15.895 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.983 8.858 17.279 1.00 0.00 H new ATOM 538 N VAL A 43 0.771 9.425 12.588 1.00 0.00 N ATOM 539 CA VAL A 43 1.329 9.935 11.347 1.00 0.00 C ATOM 540 C VAL A 43 0.650 11.260 10.994 1.00 0.00 C ATOM 541 O VAL A 43 1.243 12.326 11.150 1.00 0.00 O ATOM 542 CB VAL A 43 1.197 8.883 10.243 1.00 0.00 C ATOM 543 CG1 VAL A 43 1.989 9.292 8.999 1.00 0.00 C ATOM 544 CG2 VAL A 43 1.635 7.506 10.744 1.00 0.00 C ATOM 0 H VAL A 43 0.095 8.670 12.473 1.00 0.00 H new ATOM 0 HA VAL A 43 2.394 10.136 11.461 1.00 0.00 H new ATOM 0 HB VAL A 43 0.145 8.819 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.879 8.528 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.611 10.243 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.043 9.397 9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.532 6.777 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.676 7.549 11.063 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.010 7.209 11.586 1.00 0.00 H new ATOM 554 N SER A 44 -0.585 11.149 10.525 1.00 0.00 N ATOM 555 CA SER A 44 -1.351 12.325 10.149 1.00 0.00 C ATOM 556 C SER A 44 -2.718 12.301 10.836 1.00 0.00 C ATOM 557 O SER A 44 -3.140 11.266 11.349 1.00 0.00 O ATOM 558 CB SER A 44 -1.521 12.409 8.631 1.00 0.00 C ATOM 559 OG SER A 44 -0.765 13.477 8.067 1.00 0.00 O ATOM 0 H SER A 44 -1.074 10.263 10.397 1.00 0.00 H new ATOM 0 HA SER A 44 -0.803 13.209 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.211 11.467 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.576 12.545 8.391 1.00 0.00 H new ATOM 0 HG SER A 44 -0.899 13.496 7.096 1.00 0.00 H new ATOM 565 N PHE A 45 -3.371 13.453 10.823 1.00 0.00 N ATOM 566 CA PHE A 45 -4.681 13.577 11.439 1.00 0.00 C ATOM 567 C PHE A 45 -5.378 14.864 10.991 1.00 0.00 C ATOM 568 O PHE A 45 -4.927 15.963 11.314 1.00 0.00 O ATOM 569 CB PHE A 45 -4.462 13.630 12.952 1.00 0.00 C ATOM 570 CG PHE A 45 -5.677 13.193 13.773 1.00 0.00 C ATOM 571 CD1 PHE A 45 -6.927 13.311 13.252 1.00 0.00 C ATOM 572 CD2 PHE A 45 -5.506 12.686 15.023 1.00 0.00 C ATOM 573 CE1 PHE A 45 -8.055 12.905 14.013 1.00 0.00 C ATOM 574 CE2 PHE A 45 -6.634 12.280 15.785 1.00 0.00 C ATOM 575 CZ PHE A 45 -7.884 12.398 15.264 1.00 0.00 C ATOM 0 H PHE A 45 -3.018 14.309 10.396 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.309 12.735 11.149 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.615 12.993 13.209 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.193 14.648 13.234 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.062 13.714 12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.513 12.592 15.436 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.048 12.999 13.599 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.499 11.878 16.778 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.742 12.089 15.843 1.00 0.00 H new ATOM 585 N ARG A 46 -6.465 14.686 10.256 1.00 0.00 N ATOM 586 CA ARG A 46 -7.228 15.819 9.761 1.00 0.00 C ATOM 587 C ARG A 46 -8.721 15.607 10.019 1.00 0.00 C ATOM 588 O ARG A 46 -9.247 14.520 9.785 1.00 0.00 O ATOM 589 CB ARG A 46 -7.000 16.024 8.262 1.00 0.00 C ATOM 590 CG ARG A 46 -6.157 17.274 8.001 1.00 0.00 C ATOM 591 CD ARG A 46 -4.971 16.955 7.089 1.00 0.00 C ATOM 592 NE ARG A 46 -5.309 17.281 5.686 1.00 0.00 N ATOM 593 CZ ARG A 46 -5.293 18.521 5.177 1.00 0.00 C ATOM 594 NH1 ARG A 46 -4.955 19.559 5.954 1.00 0.00 N ATOM 595 NH2 ARG A 46 -5.614 18.722 3.892 1.00 0.00 N ATOM 0 H ARG A 46 -6.836 13.774 9.991 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.887 16.707 10.293 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.500 15.150 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.960 16.116 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.776 18.045 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.795 17.677 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.097 17.525 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.710 15.900 7.173 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.571 16.514 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.710 19.405 6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.943 20.503 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.871 17.931 3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.602 19.666 3.505 1.00 0.00 H new ATOM 609 N LEU A 47 -9.362 16.663 10.497 1.00 0.00 N ATOM 610 CA LEU A 47 -10.784 16.607 10.790 1.00 0.00 C ATOM 611 C LEU A 47 -11.539 17.506 9.808 1.00 0.00 C ATOM 612 O LEU A 47 -10.925 18.257 9.051 1.00 0.00 O ATOM 613 CB LEU A 47 -11.043 16.946 12.259 1.00 0.00 C ATOM 614 CG LEU A 47 -9.849 16.793 13.203 1.00 0.00 C ATOM 615 CD1 LEU A 47 -10.193 17.293 14.607 1.00 0.00 C ATOM 616 CD2 LEU A 47 -9.344 15.349 13.217 1.00 0.00 C ATOM 0 H LEU A 47 -8.922 17.563 10.689 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.162 15.594 10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.397 17.975 12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.851 16.310 12.621 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.036 17.416 12.830 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.327 17.173 15.258 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.469 18.346 14.561 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.028 16.716 15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.495 15.267 13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.142 14.688 13.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.034 15.062 12.212 1.00 0.00 H new ATOM 628 N VAL A 48 -12.858 17.400 9.853 1.00 0.00 N ATOM 629 CA VAL A 48 -13.703 18.195 8.977 1.00 0.00 C ATOM 630 C VAL A 48 -13.974 19.552 9.630 1.00 0.00 C ATOM 631 O VAL A 48 -14.376 19.617 10.791 1.00 0.00 O ATOM 632 CB VAL A 48 -14.983 17.425 8.645 1.00 0.00 C ATOM 633 CG1 VAL A 48 -14.716 16.345 7.595 1.00 0.00 C ATOM 634 CG2 VAL A 48 -15.603 16.822 9.907 1.00 0.00 C ATOM 0 H VAL A 48 -13.363 16.776 10.482 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.199 18.385 8.030 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.699 18.131 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.642 15.813 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -14.341 16.809 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.975 15.643 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.511 16.280 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.893 16.136 10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.847 17.619 10.609 1.00 0.00 H new ATOM 644 N TYR A 49 -13.742 20.602 8.856 1.00 0.00 N ATOM 645 CA TYR A 49 -13.956 21.954 9.345 1.00 0.00 C ATOM 646 C TYR A 49 -14.810 22.762 8.366 1.00 0.00 C ATOM 647 O TYR A 49 -14.426 22.953 7.213 1.00 0.00 O ATOM 648 CB TYR A 49 -12.569 22.592 9.440 1.00 0.00 C ATOM 649 CG TYR A 49 -12.037 22.714 10.870 1.00 0.00 C ATOM 650 CD1 TYR A 49 -11.355 21.660 11.444 1.00 0.00 C ATOM 651 CD2 TYR A 49 -12.238 23.877 11.584 1.00 0.00 C ATOM 652 CE1 TYR A 49 -10.855 21.775 12.790 1.00 0.00 C ATOM 653 CE2 TYR A 49 -11.737 23.992 12.930 1.00 0.00 C ATOM 654 CZ TYR A 49 -11.070 22.935 13.466 1.00 0.00 C ATOM 655 OH TYR A 49 -10.598 23.043 14.737 1.00 0.00 O ATOM 0 H TYR A 49 -13.408 20.544 7.894 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.476 21.938 10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.867 22.001 8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -12.605 23.584 8.991 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.196 20.750 10.884 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.771 24.702 11.134 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.321 20.958 13.252 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.888 24.897 13.500 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.824 23.926 15.096 1.00 0.00 H new ATOM 665 N ASP A 50 -15.952 23.215 8.862 1.00 0.00 N ATOM 666 CA ASP A 50 -16.864 23.998 8.045 1.00 0.00 C ATOM 667 C ASP A 50 -16.258 25.381 7.796 1.00 0.00 C ATOM 668 O ASP A 50 -16.189 26.206 8.705 1.00 0.00 O ATOM 669 CB ASP A 50 -18.208 24.191 8.751 1.00 0.00 C ATOM 670 CG ASP A 50 -18.717 22.969 9.517 1.00 0.00 C ATOM 671 OD1 ASP A 50 -18.321 21.849 9.127 1.00 0.00 O ATOM 672 OD2 ASP A 50 -19.491 23.182 10.475 1.00 0.00 O ATOM 0 H ASP A 50 -16.267 23.055 9.819 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.022 23.464 7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.120 25.026 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.954 24.472 8.008 1.00 0.00 H new ATOM 677 N ARG A 51 -15.834 25.592 6.558 1.00 0.00 N ATOM 678 CA ARG A 51 -15.237 26.860 6.177 1.00 0.00 C ATOM 679 C ARG A 51 -16.313 27.942 6.069 1.00 0.00 C ATOM 680 O ARG A 51 -16.043 29.118 6.312 1.00 0.00 O ATOM 681 CB ARG A 51 -14.503 26.744 4.840 1.00 0.00 C ATOM 682 CG ARG A 51 -13.202 25.954 4.994 1.00 0.00 C ATOM 683 CD ARG A 51 -12.523 25.746 3.639 1.00 0.00 C ATOM 684 NE ARG A 51 -11.917 27.014 3.176 1.00 0.00 N ATOM 685 CZ ARG A 51 -12.579 27.958 2.494 1.00 0.00 C ATOM 686 NH1 ARG A 51 -13.873 27.782 2.191 1.00 0.00 N ATOM 687 NH2 ARG A 51 -11.948 29.077 2.114 1.00 0.00 N ATOM 0 H ARG A 51 -15.892 24.905 5.806 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.518 27.134 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.146 26.253 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.284 27.740 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.527 26.485 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.411 24.987 5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.756 24.976 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.251 25.393 2.909 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.933 27.180 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.353 26.930 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.377 28.501 1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.963 29.210 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.452 29.796 1.595 1.00 0.00 H new ATOM 701 N GLU A 52 -17.510 27.507 5.704 1.00 0.00 N ATOM 702 CA GLU A 52 -18.627 28.425 5.560 1.00 0.00 C ATOM 703 C GLU A 52 -19.092 28.914 6.934 1.00 0.00 C ATOM 704 O GLU A 52 -19.552 30.047 7.070 1.00 0.00 O ATOM 705 CB GLU A 52 -19.778 27.771 4.793 1.00 0.00 C ATOM 706 CG GLU A 52 -19.908 28.364 3.389 1.00 0.00 C ATOM 707 CD GLU A 52 -20.912 27.571 2.549 1.00 0.00 C ATOM 708 OE1 GLU A 52 -20.783 26.328 2.535 1.00 0.00 O ATOM 709 OE2 GLU A 52 -21.785 28.226 1.940 1.00 0.00 O ATOM 0 H GLU A 52 -17.731 26.531 5.504 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.292 29.287 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.609 26.696 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.711 27.913 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.227 29.404 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -18.935 28.361 2.898 1.00 0.00 H new ATOM 716 N THR A 53 -18.956 28.036 7.916 1.00 0.00 N ATOM 717 CA THR A 53 -19.356 28.364 9.274 1.00 0.00 C ATOM 718 C THR A 53 -18.125 28.613 10.148 1.00 0.00 C ATOM 719 O THR A 53 -18.251 28.981 11.314 1.00 0.00 O ATOM 720 CB THR A 53 -20.249 27.234 9.790 1.00 0.00 C ATOM 721 OG1 THR A 53 -21.467 27.398 9.069 1.00 0.00 O ATOM 722 CG2 THR A 53 -20.653 27.429 11.253 1.00 0.00 C ATOM 0 H THR A 53 -18.574 27.097 7.799 1.00 0.00 H new ATOM 0 HA THR A 53 -19.929 29.291 9.304 1.00 0.00 H new ATOM 0 HB THR A 53 -19.730 26.282 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 53 -22.104 26.704 9.341 1.00 0.00 H new ATOM 0 HG21 THR A 53 -21.286 26.600 11.569 1.00 0.00 H new ATOM 0 HG22 THR A 53 -19.759 27.462 11.876 1.00 0.00 H new ATOM 0 HG23 THR A 53 -21.202 28.365 11.357 1.00 0.00 H new ATOM 730 N GLY A 54 -16.962 28.401 9.549 1.00 0.00 N ATOM 731 CA GLY A 54 -15.709 28.597 10.258 1.00 0.00 C ATOM 732 C GLY A 54 -15.681 27.789 11.557 1.00 0.00 C ATOM 733 O GLY A 54 -14.869 28.056 12.441 1.00 0.00 O ATOM 0 H GLY A 54 -16.861 28.096 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.876 28.298 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.575 29.655 10.481 1.00 0.00 H new ATOM 737 N LYS A 55 -16.578 26.816 11.630 1.00 0.00 N ATOM 738 CA LYS A 55 -16.666 25.967 12.806 1.00 0.00 C ATOM 739 C LYS A 55 -16.366 24.521 12.408 1.00 0.00 C ATOM 740 O LYS A 55 -16.711 24.090 11.309 1.00 0.00 O ATOM 741 CB LYS A 55 -18.020 26.147 13.496 1.00 0.00 C ATOM 742 CG LYS A 55 -18.128 27.530 14.141 1.00 0.00 C ATOM 743 CD LYS A 55 -17.072 27.708 15.234 1.00 0.00 C ATOM 744 CE LYS A 55 -17.701 28.243 16.522 1.00 0.00 C ATOM 745 NZ LYS A 55 -16.974 29.443 16.995 1.00 0.00 N ATOM 0 H LYS A 55 -17.250 26.597 10.894 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.917 26.257 13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.822 26.017 12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.150 25.376 14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.003 28.301 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.123 27.660 14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.584 26.754 15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.299 28.395 14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.748 28.491 16.347 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.680 27.471 17.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.414 29.793 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.981 29.196 17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.016 30.184 16.266 1.00 0.00 H new ATOM 759 N PRO A 56 -15.708 23.791 13.349 1.00 0.00 N ATOM 760 CA PRO A 56 -15.357 22.402 13.108 1.00 0.00 C ATOM 761 C PRO A 56 -16.588 21.498 13.217 1.00 0.00 C ATOM 762 O PRO A 56 -17.407 21.666 14.119 1.00 0.00 O ATOM 763 CB PRO A 56 -14.291 22.080 14.143 1.00 0.00 C ATOM 764 CG PRO A 56 -14.417 23.149 15.217 1.00 0.00 C ATOM 765 CD PRO A 56 -15.284 24.267 14.662 1.00 0.00 C ATOM 0 HA PRO A 56 -14.979 22.233 12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.442 21.085 14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.297 22.090 13.696 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.863 22.732 16.120 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.434 23.530 15.494 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.140 24.462 15.308 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.725 25.200 14.584 1.00 0.00 H new ATOM 773 N LYS A 57 -16.677 20.560 12.287 1.00 0.00 N ATOM 774 CA LYS A 57 -17.794 19.630 12.267 1.00 0.00 C ATOM 775 C LYS A 57 -17.912 18.953 13.634 1.00 0.00 C ATOM 776 O LYS A 57 -18.958 19.026 14.278 1.00 0.00 O ATOM 777 CB LYS A 57 -17.651 18.646 11.104 1.00 0.00 C ATOM 778 CG LYS A 57 -18.818 18.782 10.124 1.00 0.00 C ATOM 779 CD LYS A 57 -19.877 17.708 10.381 1.00 0.00 C ATOM 780 CE LYS A 57 -21.083 18.293 11.120 1.00 0.00 C ATOM 781 NZ LYS A 57 -21.868 17.216 11.765 1.00 0.00 N ATOM 0 H LYS A 57 -15.994 20.423 11.541 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.729 20.161 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.711 18.827 10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.611 17.627 11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -19.266 19.771 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.450 18.698 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.201 17.277 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.444 16.898 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.745 19.006 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -21.714 18.842 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.682 17.630 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -22.206 16.551 11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.268 16.709 12.447 1.00 0.00 H new ATOM 795 N GLY A 58 -16.826 18.310 14.036 1.00 0.00 N ATOM 796 CA GLY A 58 -16.795 17.620 15.315 1.00 0.00 C ATOM 797 C GLY A 58 -16.087 16.270 15.193 1.00 0.00 C ATOM 798 O GLY A 58 -15.644 15.705 16.192 1.00 0.00 O ATOM 0 H GLY A 58 -15.961 18.252 13.499 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.283 18.238 16.053 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -17.813 17.470 15.676 1.00 0.00 H new ATOM 802 N TYR A 59 -16.001 15.792 13.960 1.00 0.00 N ATOM 803 CA TYR A 59 -15.354 14.518 13.695 1.00 0.00 C ATOM 804 C TYR A 59 -14.212 14.683 12.690 1.00 0.00 C ATOM 805 O TYR A 59 -14.176 15.657 11.940 1.00 0.00 O ATOM 806 CB TYR A 59 -16.430 13.618 13.084 1.00 0.00 C ATOM 807 CG TYR A 59 -16.671 13.860 11.593 1.00 0.00 C ATOM 808 CD1 TYR A 59 -15.722 13.474 10.668 1.00 0.00 C ATOM 809 CD2 TYR A 59 -17.838 14.466 11.172 1.00 0.00 C ATOM 810 CE1 TYR A 59 -15.949 13.702 9.265 1.00 0.00 C ATOM 811 CE2 TYR A 59 -18.065 14.694 9.768 1.00 0.00 C ATOM 812 CZ TYR A 59 -17.109 14.301 8.884 1.00 0.00 C ATOM 813 OH TYR A 59 -17.324 14.517 7.558 1.00 0.00 O ATOM 0 H TYR A 59 -16.368 16.264 13.134 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.933 14.103 14.611 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.144 12.576 13.231 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -17.365 13.771 13.622 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.809 13.001 10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -18.581 14.769 11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.215 13.404 8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.974 15.166 9.425 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.194 14.951 7.434 1.00 0.00 H new ATOM 823 N GLY A 60 -13.308 13.714 12.706 1.00 0.00 N ATOM 824 CA GLY A 60 -12.168 13.740 11.806 1.00 0.00 C ATOM 825 C GLY A 60 -11.578 12.339 11.628 1.00 0.00 C ATOM 826 O GLY A 60 -12.159 11.355 12.085 1.00 0.00 O ATOM 0 H GLY A 60 -13.342 12.906 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.474 14.136 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.405 14.413 12.199 1.00 0.00 H new ATOM 830 N PHE A 61 -10.433 12.294 10.964 1.00 0.00 N ATOM 831 CA PHE A 61 -9.758 11.030 10.721 1.00 0.00 C ATOM 832 C PHE A 61 -8.272 11.125 11.073 1.00 0.00 C ATOM 833 O PHE A 61 -7.637 12.149 10.826 1.00 0.00 O ATOM 834 CB PHE A 61 -9.899 10.728 9.228 1.00 0.00 C ATOM 835 CG PHE A 61 -11.322 10.368 8.797 1.00 0.00 C ATOM 836 CD1 PHE A 61 -12.206 11.352 8.479 1.00 0.00 C ATOM 837 CD2 PHE A 61 -11.704 9.064 8.731 1.00 0.00 C ATOM 838 CE1 PHE A 61 -13.527 11.018 8.079 1.00 0.00 C ATOM 839 CE2 PHE A 61 -13.024 8.730 8.332 1.00 0.00 C ATOM 840 CZ PHE A 61 -13.908 9.714 8.014 1.00 0.00 C ATOM 0 H PHE A 61 -9.955 13.112 10.586 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.200 10.247 11.338 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.567 11.597 8.659 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.233 9.905 8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.903 12.387 8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -11.002 8.283 8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -14.229 11.799 7.827 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.327 7.695 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.913 9.460 7.710 1.00 0.00 H new ATOM 850 N CYS A 62 -7.761 10.043 11.642 1.00 0.00 N ATOM 851 CA CYS A 62 -6.362 9.992 12.030 1.00 0.00 C ATOM 852 C CYS A 62 -5.721 8.777 11.356 1.00 0.00 C ATOM 853 O CYS A 62 -6.159 7.646 11.560 1.00 0.00 O ATOM 854 CB CYS A 62 -6.197 9.953 13.551 1.00 0.00 C ATOM 855 SG CYS A 62 -4.432 10.139 13.994 1.00 0.00 S ATOM 0 H CYS A 62 -8.291 9.195 11.844 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.857 10.900 11.699 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.781 10.751 14.009 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.581 9.011 13.943 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.223 11.338 14.450 1.00 0.00 H new ATOM 861 N GLU A 63 -4.694 9.053 10.566 1.00 0.00 N ATOM 862 CA GLU A 63 -3.988 7.996 9.860 1.00 0.00 C ATOM 863 C GLU A 63 -2.694 7.640 10.595 1.00 0.00 C ATOM 864 O GLU A 63 -1.849 8.503 10.826 1.00 0.00 O ATOM 865 CB GLU A 63 -3.703 8.400 8.412 1.00 0.00 C ATOM 866 CG GLU A 63 -2.565 7.563 7.824 1.00 0.00 C ATOM 867 CD GLU A 63 -2.671 7.488 6.300 1.00 0.00 C ATOM 868 OE1 GLU A 63 -3.808 7.286 5.819 1.00 0.00 O ATOM 869 OE2 GLU A 63 -1.614 7.634 5.649 1.00 0.00 O ATOM 0 H GLU A 63 -4.334 9.992 10.399 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.625 7.112 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.603 8.271 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.441 9.457 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.606 7.999 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.594 6.558 8.244 1.00 0.00 H new ATOM 876 N TYR A 64 -2.580 6.366 10.942 1.00 0.00 N ATOM 877 CA TYR A 64 -1.404 5.885 11.646 1.00 0.00 C ATOM 878 C TYR A 64 -0.362 5.342 10.666 1.00 0.00 C ATOM 879 O TYR A 64 -0.497 5.510 9.455 1.00 0.00 O ATOM 880 CB TYR A 64 -1.887 4.742 12.543 1.00 0.00 C ATOM 881 CG TYR A 64 -2.477 5.205 13.876 1.00 0.00 C ATOM 882 CD1 TYR A 64 -1.707 5.941 14.753 1.00 0.00 C ATOM 883 CD2 TYR A 64 -3.780 4.885 14.202 1.00 0.00 C ATOM 884 CE1 TYR A 64 -2.263 6.376 16.008 1.00 0.00 C ATOM 885 CE2 TYR A 64 -4.336 5.320 15.457 1.00 0.00 C ATOM 886 CZ TYR A 64 -3.550 6.044 16.298 1.00 0.00 C ATOM 887 OH TYR A 64 -4.074 6.455 17.484 1.00 0.00 O ATOM 0 H TYR A 64 -3.283 5.653 10.749 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.939 6.692 12.211 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.639 4.165 12.005 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.051 4.071 12.741 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.688 6.191 14.498 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.382 4.308 13.516 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.672 6.953 16.704 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.354 5.077 15.724 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.846 7.035 17.317 1.00 0.00 H new ATOM 897 N GLN A 65 0.654 4.703 11.226 1.00 0.00 N ATOM 898 CA GLN A 65 1.719 4.135 10.417 1.00 0.00 C ATOM 899 C GLN A 65 1.697 2.607 10.507 1.00 0.00 C ATOM 900 O GLN A 65 2.316 1.925 9.692 1.00 0.00 O ATOM 901 CB GLN A 65 3.082 4.689 10.835 1.00 0.00 C ATOM 902 CG GLN A 65 3.965 4.952 9.615 1.00 0.00 C ATOM 903 CD GLN A 65 5.204 5.764 9.999 1.00 0.00 C ATOM 904 OE1 GLN A 65 5.137 6.737 10.731 1.00 0.00 O ATOM 905 NE2 GLN A 65 6.335 5.311 9.465 1.00 0.00 N ATOM 0 H GLN A 65 0.763 4.566 12.231 1.00 0.00 H new ATOM 0 HA GLN A 65 1.551 4.421 9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.946 5.614 11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.577 3.982 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.270 4.004 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.394 5.489 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.320 4.490 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.217 5.785 9.661 1.00 0.00 H new ATOM 914 N ASP A 66 0.977 2.116 11.504 1.00 0.00 N ATOM 915 CA ASP A 66 0.866 0.682 11.712 1.00 0.00 C ATOM 916 C ASP A 66 -0.611 0.302 11.838 1.00 0.00 C ATOM 917 O ASP A 66 -1.355 0.932 12.588 1.00 0.00 O ATOM 918 CB ASP A 66 1.576 0.255 12.998 1.00 0.00 C ATOM 919 CG ASP A 66 2.522 1.300 13.592 1.00 0.00 C ATOM 920 OD1 ASP A 66 2.000 2.245 14.222 1.00 0.00 O ATOM 921 OD2 ASP A 66 3.746 1.131 13.402 1.00 0.00 O ATOM 0 H ASP A 66 0.464 2.686 12.177 1.00 0.00 H new ATOM 0 HA ASP A 66 1.329 0.181 10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.823 0.003 13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.143 -0.654 12.797 1.00 0.00 H new ATOM 926 N GLN A 67 -0.990 -0.727 11.094 1.00 0.00 N ATOM 927 CA GLN A 67 -2.364 -1.198 11.114 1.00 0.00 C ATOM 928 C GLN A 67 -2.737 -1.689 12.514 1.00 0.00 C ATOM 929 O GLN A 67 -3.813 -1.374 13.020 1.00 0.00 O ATOM 930 CB GLN A 67 -2.582 -2.296 10.071 1.00 0.00 C ATOM 931 CG GLN A 67 -3.962 -2.171 9.423 1.00 0.00 C ATOM 932 CD GLN A 67 -5.071 -2.238 10.476 1.00 0.00 C ATOM 933 OE1 GLN A 67 -4.939 -2.864 11.514 1.00 0.00 O ATOM 934 NE2 GLN A 67 -6.167 -1.559 10.150 1.00 0.00 N ATOM 0 H GLN A 67 -0.369 -1.247 10.474 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.017 -0.364 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.809 -2.233 9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.485 -3.274 10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.028 -1.229 8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.099 -2.970 8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.211 -1.056 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.964 -1.541 10.786 1.00 0.00 H new ATOM 943 N GLU A 68 -1.827 -2.453 13.100 1.00 0.00 N ATOM 944 CA GLU A 68 -2.046 -2.991 14.432 1.00 0.00 C ATOM 945 C GLU A 68 -2.245 -1.855 15.437 1.00 0.00 C ATOM 946 O GLU A 68 -3.056 -1.968 16.354 1.00 0.00 O ATOM 947 CB GLU A 68 -0.890 -3.900 14.853 1.00 0.00 C ATOM 948 CG GLU A 68 -1.055 -4.360 16.303 1.00 0.00 C ATOM 949 CD GLU A 68 -2.098 -5.474 16.410 1.00 0.00 C ATOM 950 OE1 GLU A 68 -1.699 -6.645 16.231 1.00 0.00 O ATOM 951 OE2 GLU A 68 -3.272 -5.129 16.670 1.00 0.00 O ATOM 0 H GLU A 68 -0.936 -2.712 12.677 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.952 -3.596 14.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.847 -4.768 14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.055 -3.368 14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.098 -4.715 16.687 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.354 -3.516 16.924 1.00 0.00 H new ATOM 958 N THR A 69 -1.490 -0.786 15.230 1.00 0.00 N ATOM 959 CA THR A 69 -1.573 0.370 16.107 1.00 0.00 C ATOM 960 C THR A 69 -2.934 1.053 15.962 1.00 0.00 C ATOM 961 O THR A 69 -3.531 1.472 16.952 1.00 0.00 O ATOM 962 CB THR A 69 -0.393 1.291 15.788 1.00 0.00 C ATOM 963 OG1 THR A 69 0.747 0.563 16.235 1.00 0.00 O ATOM 964 CG2 THR A 69 -0.389 2.556 16.648 1.00 0.00 C ATOM 0 H THR A 69 -0.818 -0.696 14.468 1.00 0.00 H new ATOM 0 HA THR A 69 -1.502 0.078 17.155 1.00 0.00 H new ATOM 0 HB THR A 69 -0.424 1.569 14.734 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.532 1.149 16.229 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.468 3.174 16.382 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.308 3.116 16.476 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.324 2.280 17.701 1.00 0.00 H new ATOM 972 N ALA A 70 -3.385 1.144 14.719 1.00 0.00 N ATOM 973 CA ALA A 70 -4.665 1.769 14.432 1.00 0.00 C ATOM 974 C ALA A 70 -5.790 0.901 14.999 1.00 0.00 C ATOM 975 O ALA A 70 -6.765 1.419 15.541 1.00 0.00 O ATOM 976 CB ALA A 70 -4.800 1.986 12.923 1.00 0.00 C ATOM 0 H ALA A 70 -2.887 0.796 13.900 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.731 2.747 14.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.760 2.455 12.707 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.994 2.632 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.742 1.026 12.411 1.00 0.00 H new ATOM 982 N LEU A 71 -5.617 -0.405 14.855 1.00 0.00 N ATOM 983 CA LEU A 71 -6.606 -1.349 15.346 1.00 0.00 C ATOM 984 C LEU A 71 -6.602 -1.335 16.876 1.00 0.00 C ATOM 985 O LEU A 71 -7.660 -1.320 17.503 1.00 0.00 O ATOM 986 CB LEU A 71 -6.369 -2.735 14.743 1.00 0.00 C ATOM 987 CG LEU A 71 -7.226 -3.093 13.527 1.00 0.00 C ATOM 988 CD1 LEU A 71 -6.749 -4.397 12.885 1.00 0.00 C ATOM 989 CD2 LEU A 71 -8.709 -3.146 13.898 1.00 0.00 C ATOM 0 H LEU A 71 -4.807 -0.831 14.405 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.606 -1.055 15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.320 -2.811 14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.544 -3.481 15.518 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.108 -2.306 12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.375 -4.629 12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.714 -4.286 12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.818 -5.207 13.611 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.296 -3.402 13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.864 -3.901 14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.025 -2.173 14.274 1.00 0.00 H new ATOM 1001 N SER A 72 -5.400 -1.341 17.433 1.00 0.00 N ATOM 1002 CA SER A 72 -5.245 -1.329 18.878 1.00 0.00 C ATOM 1003 C SER A 72 -5.825 -0.037 19.456 1.00 0.00 C ATOM 1004 O SER A 72 -6.427 -0.048 20.529 1.00 0.00 O ATOM 1005 CB SER A 72 -3.774 -1.475 19.275 1.00 0.00 C ATOM 1006 OG SER A 72 -3.622 -1.776 20.660 1.00 0.00 O ATOM 0 H SER A 72 -4.524 -1.354 16.910 1.00 0.00 H new ATOM 0 HA SER A 72 -5.790 -2.179 19.288 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.315 -2.264 18.680 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.243 -0.552 19.044 1.00 0.00 H new ATOM 0 HG SER A 72 -3.764 -0.963 21.189 1.00 0.00 H new ATOM 1012 N ALA A 73 -5.623 1.046 18.720 1.00 0.00 N ATOM 1013 CA ALA A 73 -6.118 2.344 19.147 1.00 0.00 C ATOM 1014 C ALA A 73 -7.648 2.334 19.120 1.00 0.00 C ATOM 1015 O ALA A 73 -8.291 2.917 19.992 1.00 0.00 O ATOM 1016 CB ALA A 73 -5.526 3.435 18.253 1.00 0.00 C ATOM 0 H ALA A 73 -5.123 1.051 17.831 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.807 2.557 20.170 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.897 4.409 18.573 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.439 3.418 18.330 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.820 3.257 17.219 1.00 0.00 H new ATOM 1022 N MET A 74 -8.187 1.666 18.111 1.00 0.00 N ATOM 1023 CA MET A 74 -9.629 1.573 17.960 1.00 0.00 C ATOM 1024 C MET A 74 -10.257 0.830 19.140 1.00 0.00 C ATOM 1025 O MET A 74 -11.248 1.286 19.709 1.00 0.00 O ATOM 1026 CB MET A 74 -9.960 0.839 16.659 1.00 0.00 C ATOM 1027 CG MET A 74 -10.891 1.675 15.779 1.00 0.00 C ATOM 1028 SD MET A 74 -12.367 0.747 15.398 1.00 0.00 S ATOM 1029 CE MET A 74 -11.691 -0.468 14.280 1.00 0.00 C ATOM 0 H MET A 74 -7.651 1.184 17.390 1.00 0.00 H new ATOM 0 HA MET A 74 -10.038 2.583 17.932 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.040 0.621 16.116 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.431 -0.117 16.887 1.00 0.00 H new ATOM 0 HG2 MET A 74 -11.155 2.600 16.291 1.00 0.00 H new ATOM 0 HG3 MET A 74 -10.380 1.955 14.858 1.00 0.00 H new ATOM 0 HE1 MET A 74 -12.501 -0.946 13.729 1.00 0.00 H new ATOM 0 HE2 MET A 74 -11.013 0.020 13.579 1.00 0.00 H new ATOM 0 HE3 MET A 74 -11.145 -1.221 14.848 1.00 0.00 H new ATOM 1039 N ARG A 75 -9.655 -0.302 19.473 1.00 0.00 N ATOM 1040 CA ARG A 75 -10.143 -1.113 20.575 1.00 0.00 C ATOM 1041 C ARG A 75 -9.704 -0.512 21.912 1.00 0.00 C ATOM 1042 O ARG A 75 -10.359 -0.715 22.933 1.00 0.00 O ATOM 1043 CB ARG A 75 -9.625 -2.549 20.475 1.00 0.00 C ATOM 1044 CG ARG A 75 -10.336 -3.460 21.477 1.00 0.00 C ATOM 1045 CD ARG A 75 -11.109 -4.568 20.759 1.00 0.00 C ATOM 1046 NE ARG A 75 -11.964 -5.296 21.723 1.00 0.00 N ATOM 1047 CZ ARG A 75 -11.499 -6.157 22.639 1.00 0.00 C ATOM 1048 NH1 ARG A 75 -10.184 -6.402 22.720 1.00 0.00 N ATOM 1049 NH2 ARG A 75 -12.348 -6.772 23.473 1.00 0.00 N ATOM 0 H ARG A 75 -8.833 -0.677 18.999 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.231 -1.127 20.519 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.779 -2.925 19.464 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.551 -2.566 20.661 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.605 -3.902 22.154 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.021 -2.871 22.087 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.723 -4.140 19.967 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.413 -5.259 20.284 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.970 -5.132 21.688 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.538 -5.933 22.085 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.829 -7.057 23.417 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.349 -6.585 23.411 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.994 -7.427 24.170 1.00 0.00 H new ATOM 1063 N ASN A 76 -8.598 0.216 21.862 1.00 0.00 N ATOM 1064 CA ASN A 76 -8.063 0.848 23.056 1.00 0.00 C ATOM 1065 C ASN A 76 -8.891 2.093 23.383 1.00 0.00 C ATOM 1066 O ASN A 76 -9.052 2.446 24.550 1.00 0.00 O ATOM 1067 CB ASN A 76 -6.613 1.287 22.845 1.00 0.00 C ATOM 1068 CG ASN A 76 -5.653 0.109 23.021 1.00 0.00 C ATOM 1069 OD1 ASN A 76 -4.595 0.148 22.216 1.00 0.00 O flip ATOM 1070 ND2 ASN A 76 -5.858 -0.777 23.834 1.00 0.00 N flip ATOM 0 H ASN A 76 -8.058 0.382 21.013 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.105 0.123 23.869 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.498 1.708 21.846 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.361 2.075 23.554 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.691 -0.747 24.422 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.197 -1.548 23.926 1.00 0.00 H new ATOM 1077 N LEU A 77 -9.393 2.723 22.332 1.00 0.00 N ATOM 1078 CA LEU A 77 -10.200 3.921 22.492 1.00 0.00 C ATOM 1079 C LEU A 77 -11.672 3.575 22.255 1.00 0.00 C ATOM 1080 O LEU A 77 -12.384 3.203 23.187 1.00 0.00 O ATOM 1081 CB LEU A 77 -9.679 5.043 21.592 1.00 0.00 C ATOM 1082 CG LEU A 77 -8.240 5.495 21.848 1.00 0.00 C ATOM 1083 CD1 LEU A 77 -7.472 5.648 20.533 1.00 0.00 C ATOM 1084 CD2 LEU A 77 -8.208 6.776 22.683 1.00 0.00 C ATOM 0 H LEU A 77 -9.257 2.427 21.366 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.121 4.300 23.511 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.757 4.716 20.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.335 5.906 21.704 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.736 4.721 22.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.452 5.970 20.743 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.450 4.691 20.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.966 6.392 19.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.173 7.075 22.850 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.734 7.570 22.152 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.694 6.597 23.642 1.00 0.00 H new ATOM 1096 N ASN A 78 -12.084 3.709 21.003 1.00 0.00 N ATOM 1097 CA ASN A 78 -13.458 3.416 20.632 1.00 0.00 C ATOM 1098 C ASN A 78 -14.392 3.865 21.757 1.00 0.00 C ATOM 1099 O ASN A 78 -14.716 3.082 22.649 1.00 0.00 O ATOM 1100 CB ASN A 78 -13.662 1.915 20.419 1.00 0.00 C ATOM 1101 CG ASN A 78 -15.125 1.524 20.633 1.00 0.00 C ATOM 1102 OD1 ASN A 78 -15.504 0.970 21.652 1.00 0.00 O ATOM 1103 ND2 ASN A 78 -15.924 1.843 19.618 1.00 0.00 N ATOM 0 H ASN A 78 -11.490 4.017 20.233 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.678 3.945 19.705 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.353 1.642 19.410 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.028 1.357 21.108 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.919 1.624 19.664 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.541 2.306 18.794 1.00 0.00 H new ATOM 1110 N GLY A 79 -14.799 5.123 21.678 1.00 0.00 N ATOM 1111 CA GLY A 79 -15.691 5.686 22.678 1.00 0.00 C ATOM 1112 C GLY A 79 -14.937 5.991 23.974 1.00 0.00 C ATOM 1113 O GLY A 79 -15.464 5.786 25.066 1.00 0.00 O ATOM 0 H GLY A 79 -14.528 5.769 20.937 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.145 6.599 22.293 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.503 4.988 22.881 1.00 0.00 H new ATOM 1117 N ARG A 80 -13.716 6.478 23.810 1.00 0.00 N ATOM 1118 CA ARG A 80 -12.884 6.814 24.953 1.00 0.00 C ATOM 1119 C ARG A 80 -13.254 8.198 25.490 1.00 0.00 C ATOM 1120 O ARG A 80 -13.170 9.190 24.767 1.00 0.00 O ATOM 1121 CB ARG A 80 -11.401 6.798 24.579 1.00 0.00 C ATOM 1122 CG ARG A 80 -10.533 7.235 25.761 1.00 0.00 C ATOM 1123 CD ARG A 80 -9.787 6.043 26.364 1.00 0.00 C ATOM 1124 NE ARG A 80 -8.409 6.441 26.729 1.00 0.00 N ATOM 1125 CZ ARG A 80 -7.386 5.583 26.847 1.00 0.00 C ATOM 1126 NH1 ARG A 80 -7.580 4.275 26.630 1.00 0.00 N ATOM 1127 NH2 ARG A 80 -6.169 6.033 27.182 1.00 0.00 N ATOM 0 H ARG A 80 -13.283 6.648 22.902 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.060 6.063 25.723 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.113 5.796 24.263 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.229 7.462 23.732 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.817 7.988 25.432 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.158 7.701 26.523 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.316 5.681 27.246 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.760 5.221 25.649 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.226 7.430 26.901 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.506 3.932 26.375 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.801 3.622 26.720 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.021 7.029 27.347 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.391 5.380 27.272 1.00 0.00 H new ATOM 1141 N GLU A 81 -13.655 8.221 26.752 1.00 0.00 N ATOM 1142 CA GLU A 81 -14.037 9.468 27.393 1.00 0.00 C ATOM 1143 C GLU A 81 -12.855 10.439 27.413 1.00 0.00 C ATOM 1144 O GLU A 81 -11.733 10.051 27.733 1.00 0.00 O ATOM 1145 CB GLU A 81 -14.564 9.217 28.808 1.00 0.00 C ATOM 1146 CG GLU A 81 -15.485 7.995 28.842 1.00 0.00 C ATOM 1147 CD GLU A 81 -14.939 6.924 29.788 1.00 0.00 C ATOM 1148 OE1 GLU A 81 -13.716 6.673 29.716 1.00 0.00 O ATOM 1149 OE2 GLU A 81 -15.756 6.381 30.562 1.00 0.00 O ATOM 0 H GLU A 81 -13.724 7.396 27.348 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.843 9.920 26.814 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.727 9.065 29.490 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.106 10.095 29.159 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.482 8.295 29.164 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.585 7.582 27.838 1.00 0.00 H new ATOM 1156 N PHE A 82 -13.148 11.684 27.066 1.00 0.00 N ATOM 1157 CA PHE A 82 -12.124 12.714 27.039 1.00 0.00 C ATOM 1158 C PHE A 82 -12.741 14.096 26.817 1.00 0.00 C ATOM 1159 O PHE A 82 -13.370 14.341 25.789 1.00 0.00 O ATOM 1160 CB PHE A 82 -11.194 12.390 25.868 1.00 0.00 C ATOM 1161 CG PHE A 82 -10.053 13.393 25.683 1.00 0.00 C ATOM 1162 CD1 PHE A 82 -10.276 14.563 25.028 1.00 0.00 C ATOM 1163 CD2 PHE A 82 -8.816 13.113 26.175 1.00 0.00 C ATOM 1164 CE1 PHE A 82 -9.217 15.494 24.856 1.00 0.00 C ATOM 1165 CE2 PHE A 82 -7.757 14.044 26.003 1.00 0.00 C ATOM 1166 CZ PHE A 82 -7.980 15.215 25.348 1.00 0.00 C ATOM 0 H PHE A 82 -14.080 12.002 26.801 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.591 12.732 27.989 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -10.770 11.397 26.018 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.782 12.351 24.951 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.259 14.785 24.638 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.639 12.184 26.696 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.394 16.423 24.335 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.774 13.822 26.392 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.175 15.923 25.219 1.00 0.00 H new ATOM 1218 N ALA A 86 -17.088 11.044 24.773 1.00 0.00 N ATOM 1219 CA ALA A 86 -16.477 9.810 24.308 1.00 0.00 C ATOM 1220 C ALA A 86 -15.929 10.018 22.895 1.00 0.00 C ATOM 1221 O ALA A 86 -16.575 10.654 22.062 1.00 0.00 O ATOM 1222 CB ALA A 86 -17.502 8.676 24.375 1.00 0.00 C ATOM 0 HA ALA A 86 -15.640 9.531 24.948 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -17.044 7.750 24.026 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.838 8.549 25.404 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -18.356 8.919 23.742 1.00 0.00 H new ATOM 1228 N LEU A 87 -14.745 9.471 22.667 1.00 0.00 N ATOM 1229 CA LEU A 87 -14.103 9.588 21.369 1.00 0.00 C ATOM 1230 C LEU A 87 -14.491 8.389 20.502 1.00 0.00 C ATOM 1231 O LEU A 87 -13.822 7.357 20.529 1.00 0.00 O ATOM 1232 CB LEU A 87 -12.592 9.766 21.532 1.00 0.00 C ATOM 1233 CG LEU A 87 -12.092 11.210 21.616 1.00 0.00 C ATOM 1234 CD1 LEU A 87 -11.605 11.701 20.251 1.00 0.00 C ATOM 1235 CD2 LEU A 87 -13.163 12.128 22.207 1.00 0.00 C ATOM 0 H LEU A 87 -14.213 8.945 23.360 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.452 10.482 20.851 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.280 9.241 22.435 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.096 9.279 20.692 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.237 11.237 22.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.255 12.730 20.338 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.788 11.067 19.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.425 11.656 19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.782 13.148 22.255 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.052 12.103 21.577 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.420 11.789 23.211 1.00 0.00 H new ATOM 1247 N ARG A 88 -15.570 8.564 19.754 1.00 0.00 N ATOM 1248 CA ARG A 88 -16.055 7.508 18.881 1.00 0.00 C ATOM 1249 C ARG A 88 -15.008 7.177 17.816 1.00 0.00 C ATOM 1250 O ARG A 88 -14.878 7.893 16.825 1.00 0.00 O ATOM 1251 CB ARG A 88 -17.359 7.917 18.194 1.00 0.00 C ATOM 1252 CG ARG A 88 -18.228 6.694 17.895 1.00 0.00 C ATOM 1253 CD ARG A 88 -19.679 7.103 17.632 1.00 0.00 C ATOM 1254 NE ARG A 88 -20.596 6.249 18.419 1.00 0.00 N ATOM 1255 CZ ARG A 88 -21.932 6.292 18.321 1.00 0.00 C ATOM 1256 NH1 ARG A 88 -22.515 7.147 17.470 1.00 0.00 N ATOM 1257 NH2 ARG A 88 -22.686 5.479 19.075 1.00 0.00 N ATOM 0 H ARG A 88 -16.122 9.421 19.734 1.00 0.00 H new ATOM 0 HA ARG A 88 -16.242 6.629 19.497 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -17.908 8.611 18.831 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -17.136 8.444 17.267 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -17.832 6.166 17.027 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -18.188 6.001 18.735 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -19.825 8.150 17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -19.905 7.011 16.570 1.00 0.00 H new ATOM 0 HE ARG A 88 -20.186 5.586 19.077 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -21.942 7.766 16.896 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -23.532 7.179 17.396 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -22.243 4.828 19.723 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -23.703 5.512 19.000 1.00 0.00 H new ATOM 1271 N VAL A 89 -14.287 6.091 18.057 1.00 0.00 N ATOM 1272 CA VAL A 89 -13.256 5.657 17.131 1.00 0.00 C ATOM 1273 C VAL A 89 -13.743 4.419 16.375 1.00 0.00 C ATOM 1274 O VAL A 89 -14.092 3.411 16.987 1.00 0.00 O ATOM 1275 CB VAL A 89 -11.944 5.420 17.882 1.00 0.00 C ATOM 1276 CG1 VAL A 89 -10.799 5.130 16.909 1.00 0.00 C ATOM 1277 CG2 VAL A 89 -11.608 6.608 18.786 1.00 0.00 C ATOM 0 H VAL A 89 -14.397 5.499 18.881 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.057 6.432 16.391 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.075 4.543 18.516 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.878 4.965 17.469 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.033 4.239 16.326 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.668 5.979 16.238 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.671 6.414 19.308 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.506 7.509 18.181 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.407 6.749 19.514 1.00 0.00 H new ATOM 1287 N ASP A 90 -13.752 4.537 15.055 1.00 0.00 N ATOM 1288 CA ASP A 90 -14.191 3.440 14.209 1.00 0.00 C ATOM 1289 C ASP A 90 -13.283 3.353 12.981 1.00 0.00 C ATOM 1290 O ASP A 90 -12.908 4.375 12.409 1.00 0.00 O ATOM 1291 CB ASP A 90 -15.625 3.660 13.722 1.00 0.00 C ATOM 1292 CG ASP A 90 -16.272 4.966 14.186 1.00 0.00 C ATOM 1293 OD1 ASP A 90 -15.580 6.004 14.100 1.00 0.00 O ATOM 1294 OD2 ASP A 90 -17.444 4.898 14.616 1.00 0.00 O ATOM 0 H ASP A 90 -13.462 5.375 14.551 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.146 2.523 14.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.630 3.637 12.632 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -16.240 2.827 14.062 1.00 0.00 H new ATOM 1299 N ASN A 91 -12.955 2.123 12.613 1.00 0.00 N ATOM 1300 CA ASN A 91 -12.097 1.890 11.464 1.00 0.00 C ATOM 1301 C ASN A 91 -12.456 2.881 10.355 1.00 0.00 C ATOM 1302 O ASN A 91 -13.626 3.031 10.006 1.00 0.00 O ATOM 1303 CB ASN A 91 -12.287 0.475 10.913 1.00 0.00 C ATOM 1304 CG ASN A 91 -10.943 -0.154 10.542 1.00 0.00 C ATOM 1305 OD1 ASN A 91 -10.162 -0.557 11.389 1.00 0.00 O ATOM 1306 ND2 ASN A 91 -10.718 -0.217 9.233 1.00 0.00 N ATOM 0 H ASN A 91 -13.268 1.278 13.090 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.063 2.017 11.784 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.789 -0.144 11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.933 0.506 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.849 -0.621 8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.414 0.139 8.578 1.00 0.00 H new ATOM 1313 N ALA A 92 -11.428 3.533 9.832 1.00 0.00 N ATOM 1314 CA ALA A 92 -11.621 4.506 8.770 1.00 0.00 C ATOM 1315 C ALA A 92 -12.109 3.789 7.510 1.00 0.00 C ATOM 1316 O ALA A 92 -12.709 4.408 6.632 1.00 0.00 O ATOM 1317 CB ALA A 92 -10.317 5.272 8.537 1.00 0.00 C ATOM 0 H ALA A 92 -10.459 3.407 10.124 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.382 5.235 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.461 6.002 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.029 5.787 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.531 4.573 8.251 1.00 0.00 H new ATOM 1323 N ALA A 93 -11.835 2.493 7.461 1.00 0.00 N ATOM 1324 CA ALA A 93 -12.239 1.686 6.323 1.00 0.00 C ATOM 1325 C ALA A 93 -13.642 1.128 6.571 1.00 0.00 C ATOM 1326 O ALA A 93 -13.915 -0.032 6.268 1.00 0.00 O ATOM 1327 CB ALA A 93 -11.206 0.582 6.088 1.00 0.00 C ATOM 0 H ALA A 93 -11.338 1.983 8.191 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.281 2.292 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.509 -0.024 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.233 1.031 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -11.139 -0.048 6.975 1.00 0.00 H new ATOM 1333 N SER A 94 -14.494 1.981 7.119 1.00 0.00 N ATOM 1334 CA SER A 94 -15.862 1.588 7.412 1.00 0.00 C ATOM 1335 C SER A 94 -16.774 1.956 6.240 1.00 0.00 C ATOM 1336 O SER A 94 -16.511 2.919 5.522 1.00 0.00 O ATOM 1337 CB SER A 94 -16.361 2.247 8.699 1.00 0.00 C ATOM 1338 OG SER A 94 -16.372 1.336 9.795 1.00 0.00 O ATOM 0 H SER A 94 -14.264 2.943 7.368 1.00 0.00 H new ATOM 0 HA SER A 94 -15.884 0.508 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.724 3.098 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.367 2.636 8.541 1.00 0.00 H new ATOM 0 HG SER A 94 -16.695 1.795 10.598 1.00 0.00 H new ATOM 1344 N GLU A 95 -17.828 1.168 6.082 1.00 0.00 N ATOM 1345 CA GLU A 95 -18.781 1.399 5.009 1.00 0.00 C ATOM 1346 C GLU A 95 -19.489 2.741 5.207 1.00 0.00 C ATOM 1347 O GLU A 95 -19.777 3.443 4.239 1.00 0.00 O ATOM 1348 CB GLU A 95 -19.791 0.254 4.918 1.00 0.00 C ATOM 1349 CG GLU A 95 -19.814 -0.346 3.511 1.00 0.00 C ATOM 1350 CD GLU A 95 -19.197 -1.747 3.502 1.00 0.00 C ATOM 1351 OE1 GLU A 95 -18.325 -1.988 4.364 1.00 0.00 O ATOM 1352 OE2 GLU A 95 -19.612 -2.544 2.633 1.00 0.00 O ATOM 0 H GLU A 95 -18.043 0.369 6.679 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.236 1.435 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.536 -0.519 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.785 0.619 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.841 -0.395 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.265 0.301 2.827 1.00 0.00 H new ATOM 1359 N LYS A 96 -19.748 3.056 6.467 1.00 0.00 N ATOM 1360 CA LYS A 96 -20.417 4.302 6.804 1.00 0.00 C ATOM 1361 C LYS A 96 -19.395 5.440 6.804 1.00 0.00 C ATOM 1362 O LYS A 96 -19.722 6.572 6.451 1.00 0.00 O ATOM 1363 CB LYS A 96 -21.179 4.160 8.123 1.00 0.00 C ATOM 1364 CG LYS A 96 -22.246 3.068 8.026 1.00 0.00 C ATOM 1365 CD LYS A 96 -23.613 3.665 7.688 1.00 0.00 C ATOM 1366 CE LYS A 96 -24.744 2.766 8.192 1.00 0.00 C ATOM 1367 NZ LYS A 96 -25.882 3.583 8.669 1.00 0.00 N ATOM 0 H LYS A 96 -19.507 2.471 7.267 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.168 4.547 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -20.482 3.921 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.648 5.110 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -21.962 2.344 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -22.305 2.527 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -23.703 4.654 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.700 3.795 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -25.074 2.104 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -24.380 2.132 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -26.641 2.957 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -25.567 4.197 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -26.240 4.170 7.888 1.00 0.00 H new ATOM 1381 N ASN A 97 -18.178 5.101 7.203 1.00 0.00 N ATOM 1382 CA ASN A 97 -17.106 6.081 7.253 1.00 0.00 C ATOM 1383 C ASN A 97 -16.671 6.427 5.828 1.00 0.00 C ATOM 1384 O ASN A 97 -16.088 7.485 5.593 1.00 0.00 O ATOM 1385 CB ASN A 97 -15.890 5.529 7.999 1.00 0.00 C ATOM 1386 CG ASN A 97 -16.180 5.387 9.494 1.00 0.00 C ATOM 1387 OD1 ASN A 97 -15.128 5.013 10.216 1.00 0.00 O flip ATOM 1388 ND2 ASN A 97 -17.287 5.602 9.961 1.00 0.00 N flip ATOM 0 H ASN A 97 -17.910 4.161 7.495 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.478 6.963 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.615 4.559 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.037 6.192 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.052 5.887 9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.447 5.497 10.963 1.00 0.00 H new ATOM 1395 N LYS A 98 -16.971 5.516 4.914 1.00 0.00 N ATOM 1396 CA LYS A 98 -16.618 5.712 3.518 1.00 0.00 C ATOM 1397 C LYS A 98 -17.382 6.918 2.968 1.00 0.00 C ATOM 1398 O LYS A 98 -16.859 7.666 2.144 1.00 0.00 O ATOM 1399 CB LYS A 98 -16.843 4.425 2.723 1.00 0.00 C ATOM 1400 CG LYS A 98 -15.810 4.285 1.603 1.00 0.00 C ATOM 1401 CD LYS A 98 -15.738 2.841 1.101 1.00 0.00 C ATOM 1402 CE LYS A 98 -14.559 2.099 1.732 1.00 0.00 C ATOM 1403 NZ LYS A 98 -13.352 2.228 0.885 1.00 0.00 N ATOM 0 H LYS A 98 -17.455 4.640 5.113 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.556 5.937 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.780 3.565 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.847 4.426 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.071 4.948 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.831 4.597 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.667 2.323 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.638 2.834 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.358 2.501 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.810 1.046 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.561 1.718 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.542 1.823 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.104 3.233 0.785 1.00 0.00 H new ATOM 1417 N GLU A 99 -18.609 7.068 3.445 1.00 0.00 N ATOM 1418 CA GLU A 99 -19.451 8.169 3.010 1.00 0.00 C ATOM 1419 C GLU A 99 -18.870 9.502 3.486 1.00 0.00 C ATOM 1420 O GLU A 99 -18.895 10.491 2.755 1.00 0.00 O ATOM 1421 CB GLU A 99 -20.888 7.990 3.506 1.00 0.00 C ATOM 1422 CG GLU A 99 -21.830 8.989 2.831 1.00 0.00 C ATOM 1423 CD GLU A 99 -23.286 8.709 3.206 1.00 0.00 C ATOM 1424 OE1 GLU A 99 -23.736 7.577 2.928 1.00 0.00 O ATOM 1425 OE2 GLU A 99 -23.917 9.634 3.763 1.00 0.00 O ATOM 0 H GLU A 99 -19.040 6.445 4.128 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.475 8.173 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.223 6.973 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.923 8.125 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.563 10.003 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.712 8.932 1.749 1.00 0.00 H new ATOM 1432 N GLU A 100 -18.359 9.486 4.709 1.00 0.00 N ATOM 1433 CA GLU A 100 -17.772 10.680 5.291 1.00 0.00 C ATOM 1434 C GLU A 100 -16.437 10.999 4.614 1.00 0.00 C ATOM 1435 O GLU A 100 -16.158 12.155 4.296 1.00 0.00 O ATOM 1436 CB GLU A 100 -17.597 10.525 6.803 1.00 0.00 C ATOM 1437 CG GLU A 100 -18.173 11.730 7.548 1.00 0.00 C ATOM 1438 CD GLU A 100 -19.590 11.439 8.048 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -20.511 11.486 7.205 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -19.719 11.175 9.263 1.00 0.00 O ATOM 0 H GLU A 100 -18.340 8.664 5.313 1.00 0.00 H new ATOM 0 HA GLU A 100 -18.452 11.515 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.093 9.614 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -16.539 10.418 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.530 11.982 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -18.187 12.597 6.888 1.00 0.00 H new ATOM 1447 N LEU A 101 -15.647 9.955 4.414 1.00 0.00 N ATOM 1448 CA LEU A 101 -14.348 10.109 3.781 1.00 0.00 C ATOM 1449 C LEU A 101 -14.539 10.628 2.354 1.00 0.00 C ATOM 1450 O LEU A 101 -13.705 11.375 1.845 1.00 0.00 O ATOM 1451 CB LEU A 101 -13.555 8.803 3.859 1.00 0.00 C ATOM 1452 CG LEU A 101 -12.794 8.558 5.163 1.00 0.00 C ATOM 1453 CD1 LEU A 101 -13.211 7.231 5.801 1.00 0.00 C ATOM 1454 CD2 LEU A 101 -11.282 8.635 4.939 1.00 0.00 C ATOM 0 H LEU A 101 -15.881 8.998 4.679 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.751 10.850 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -14.244 7.973 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.841 8.785 3.036 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.057 9.350 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.655 7.082 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.279 7.252 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -12.997 6.413 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.765 8.457 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.983 7.879 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.020 9.624 4.562 1.00 0.00 H new ATOM 1466 N LYS A 102 -15.642 10.211 1.750 1.00 0.00 N ATOM 1467 CA LYS A 102 -15.953 10.624 0.392 1.00 0.00 C ATOM 1468 C LYS A 102 -15.977 12.152 0.322 1.00 0.00 C ATOM 1469 O LYS A 102 -15.672 12.734 -0.718 1.00 0.00 O ATOM 1470 CB LYS A 102 -17.249 9.966 -0.085 1.00 0.00 C ATOM 1471 CG LYS A 102 -17.221 9.730 -1.596 1.00 0.00 C ATOM 1472 CD LYS A 102 -16.308 8.553 -1.950 1.00 0.00 C ATOM 1473 CE LYS A 102 -16.112 8.448 -3.464 1.00 0.00 C ATOM 1474 NZ LYS A 102 -17.200 7.650 -4.073 1.00 0.00 N ATOM 0 H LYS A 102 -16.331 9.591 2.176 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.179 10.285 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.391 9.017 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.098 10.599 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.231 9.533 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.873 10.630 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.341 8.678 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.739 7.627 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.094 9.445 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.149 7.986 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.052 7.588 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -17.199 6.693 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.114 8.107 -3.882 1.00 0.00 H new ATOM 1488 N SER A 103 -16.343 12.759 1.441 1.00 0.00 N ATOM 1489 CA SER A 103 -16.411 14.208 1.520 1.00 0.00 C ATOM 1490 C SER A 103 -15.036 14.778 1.872 1.00 0.00 C ATOM 1491 O SER A 103 -14.673 15.861 1.414 1.00 0.00 O ATOM 1492 CB SER A 103 -17.451 14.656 2.549 1.00 0.00 C ATOM 1493 OG SER A 103 -18.707 14.011 2.355 1.00 0.00 O ATOM 0 H SER A 103 -16.596 12.273 2.301 1.00 0.00 H new ATOM 0 HA SER A 103 -16.717 14.589 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 103 -17.084 14.441 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 103 -17.584 15.736 2.483 1.00 0.00 H new ATOM 0 HG SER A 103 -19.343 14.323 3.033 1.00 0.00 H new ATOM 1499 N LEU A 104 -14.308 14.024 2.682 1.00 0.00 N ATOM 1500 CA LEU A 104 -12.980 14.441 3.101 1.00 0.00 C ATOM 1501 C LEU A 104 -11.981 14.144 1.981 1.00 0.00 C ATOM 1502 O LEU A 104 -10.788 14.408 2.124 1.00 0.00 O ATOM 1503 CB LEU A 104 -12.614 13.796 4.439 1.00 0.00 C ATOM 1504 CG LEU A 104 -11.806 14.667 5.404 1.00 0.00 C ATOM 1505 CD1 LEU A 104 -12.412 16.067 5.516 1.00 0.00 C ATOM 1506 CD2 LEU A 104 -11.670 13.990 6.770 1.00 0.00 C ATOM 0 H LEU A 104 -14.612 13.127 3.060 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.955 15.517 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.535 13.493 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.046 12.887 4.239 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.800 14.783 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.819 16.666 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.414 16.542 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.435 15.992 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.092 14.629 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.660 13.824 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.161 13.033 6.653 1.00 0.00 H new