USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 49 THR OG1 : rot 132:sc= 1.2 USER MOD Set 1.2: A 51 ASN :FLIP amide:sc= -2.12! C(o=-3.9!,f=-0.91!) USER MOD Set 1.3: A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 22 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -135:sc= -2.81! (180deg=-6.99!) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00145) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.067) USER MOD Single : A 46 HIS : no HE2:sc= 0.235 K(o=0.24,f=-0.86) USER MOD Single : A 47 CYS SG : rot 3:sc= 0.307 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.731 X(o=-0.73,f=-0.39) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -5.3! C(o=-5.3!,f=-17!) USER MOD Single : A 67 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.00362) USER MOD Single : A 74 SER OG : rot -26:sc= 0.753 USER MOD Single : A 75 SER OG : rot 53:sc= 0.201 USER MOD Single : A 78 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.94 USER MOD Single : A 83 GLN : amide:sc= 0.42 X(o=0.42,f=-0.029) USER MOD Single : A 88 MET CE :methyl -103:sc= -0.183 (180deg=-0.66) USER MOD Single : A 89 SER OG : rot -150:sc= 0.0141 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= 0.927 F(o=-0.0035,f=0.93) USER MOD Single : A 104 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.1!) USER MOD Single : A 109 TYR OH : rot 0:sc= -0.189 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 30:sc= 0.0952 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.771 18.729 3.320 1.00 0.00 N ATOM 121 CA ARG A 11 10.489 18.092 2.222 1.00 0.00 C ATOM 122 C ARG A 11 9.528 17.688 1.107 1.00 0.00 C ATOM 123 O ARG A 11 9.830 17.850 -0.076 1.00 0.00 O ATOM 124 CB ARG A 11 11.248 16.863 2.726 1.00 0.00 C ATOM 125 CG ARG A 11 12.512 17.203 3.499 1.00 0.00 C ATOM 126 CD ARG A 11 13.628 17.656 2.571 1.00 0.00 C ATOM 127 NE ARG A 11 14.860 17.949 3.299 1.00 0.00 N ATOM 128 CZ ARG A 11 15.653 17.013 3.807 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.345 15.731 3.668 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.758 17.359 4.456 1.00 0.00 N ATOM 0 HA ARG A 11 11.203 18.812 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.588 16.276 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.510 16.234 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.297 17.990 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.839 16.331 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.821 16.880 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.309 18.545 2.027 1.00 0.00 H new ATOM 0 HE ARG A 11 15.126 18.926 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.497 15.461 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.956 15.014 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.998 18.344 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.367 16.640 4.846 1.00 0.00 H new ATOM 144 N LEU A 12 8.372 17.160 1.493 1.00 0.00 N ATOM 145 CA LEU A 12 7.366 16.732 0.526 1.00 0.00 C ATOM 146 C LEU A 12 6.741 17.932 -0.177 1.00 0.00 C ATOM 147 O LEU A 12 6.758 19.056 0.326 1.00 0.00 O ATOM 148 CB LEU A 12 6.279 15.910 1.221 1.00 0.00 C ATOM 149 CG LEU A 12 6.622 14.447 1.504 1.00 0.00 C ATOM 150 CD1 LEU A 12 7.049 13.742 0.225 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.714 14.349 2.559 1.00 0.00 C ATOM 0 H LEU A 12 8.108 17.018 2.468 1.00 0.00 H new ATOM 0 HA LEU A 12 7.859 16.112 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.034 16.394 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.380 15.939 0.605 1.00 0.00 H new ATOM 0 HG LEU A 12 5.730 13.952 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.289 12.702 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.236 13.781 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.928 14.238 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.945 13.301 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.609 14.860 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.371 14.817 3.482 1.00 0.00 H new ATOM 163 N PRO A 13 6.172 17.691 -1.368 1.00 0.00 N ATOM 164 CA PRO A 13 5.528 18.739 -2.165 1.00 0.00 C ATOM 165 C PRO A 13 4.229 19.230 -1.534 1.00 0.00 C ATOM 166 O PRO A 13 3.189 18.582 -1.649 1.00 0.00 O ATOM 167 CB PRO A 13 5.246 18.047 -3.500 1.00 0.00 C ATOM 168 CG PRO A 13 5.155 16.598 -3.164 1.00 0.00 C ATOM 169 CD PRO A 13 6.115 16.376 -2.028 1.00 0.00 C ATOM 0 HA PRO A 13 6.154 19.627 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.319 18.409 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.042 18.237 -4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.139 16.327 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.417 15.981 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.761 15.600 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.096 16.063 -2.386 1.00 0.00 H new ATOM 177 N GLU A 14 4.297 20.379 -0.868 1.00 0.00 N ATOM 178 CA GLU A 14 3.125 20.956 -0.220 1.00 0.00 C ATOM 179 C GLU A 14 1.968 21.088 -1.205 1.00 0.00 C ATOM 180 O GLU A 14 0.800 21.088 -0.814 1.00 0.00 O ATOM 181 CB GLU A 14 3.465 22.325 0.372 1.00 0.00 C ATOM 182 CG GLU A 14 3.970 23.324 -0.655 1.00 0.00 C ATOM 183 CD GLU A 14 4.164 24.711 -0.074 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.207 25.239 0.531 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.271 25.269 -0.225 1.00 0.00 O ATOM 0 H GLU A 14 5.150 20.928 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 14 2.819 20.286 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.578 22.732 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.222 22.199 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.916 22.971 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.263 23.377 -1.483 1.00 0.00 H new ATOM 192 N THR A 15 2.300 21.201 -2.488 1.00 0.00 N ATOM 193 CA THR A 15 1.290 21.336 -3.530 1.00 0.00 C ATOM 194 C THR A 15 0.628 19.996 -3.830 1.00 0.00 C ATOM 195 O THR A 15 -0.164 19.881 -4.766 1.00 0.00 O ATOM 196 CB THR A 15 1.896 21.899 -4.829 1.00 0.00 C ATOM 197 OG1 THR A 15 3.089 21.183 -5.164 1.00 0.00 O ATOM 198 CG2 THR A 15 2.212 23.380 -4.681 1.00 0.00 C ATOM 0 H THR A 15 3.261 21.202 -2.830 1.00 0.00 H new ATOM 0 HA THR A 15 0.540 22.033 -3.156 1.00 0.00 H new ATOM 0 HB THR A 15 1.164 21.778 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.467 21.546 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.639 23.756 -5.611 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.296 23.927 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.927 23.520 -3.871 1.00 0.00 H new ATOM 206 N ILE A 16 0.957 18.987 -3.031 1.00 0.00 N ATOM 207 CA ILE A 16 0.391 17.655 -3.212 1.00 0.00 C ATOM 208 C ILE A 16 0.030 17.025 -1.871 1.00 0.00 C ATOM 209 O ILE A 16 0.592 17.380 -0.835 1.00 0.00 O ATOM 210 CB ILE A 16 1.368 16.725 -3.956 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.944 17.433 -5.185 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.667 15.437 -4.361 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.041 16.652 -5.872 1.00 0.00 C ATOM 0 H ILE A 16 1.612 19.066 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.512 17.774 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 16 2.190 16.474 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.140 17.619 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.335 18.405 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.370 14.790 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.300 14.927 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.171 15.670 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.402 17.213 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.863 16.489 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.650 15.690 -6.203 1.00 0.00 H new ATOM 225 N ASP A 17 -0.911 16.088 -1.899 1.00 0.00 N ATOM 226 CA ASP A 17 -1.347 15.406 -0.686 1.00 0.00 C ATOM 227 C ASP A 17 -1.144 13.898 -0.808 1.00 0.00 C ATOM 228 O ASP A 17 -1.729 13.251 -1.677 1.00 0.00 O ATOM 229 CB ASP A 17 -2.818 15.714 -0.402 1.00 0.00 C ATOM 230 CG ASP A 17 -3.258 15.225 0.964 1.00 0.00 C ATOM 231 OD1 ASP A 17 -3.092 15.978 1.946 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.768 14.088 1.051 1.00 0.00 O ATOM 0 H ASP A 17 -1.387 15.783 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.741 15.770 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.981 16.790 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.438 15.249 -1.168 1.00 0.00 H new ATOM 237 N LEU A 18 -0.312 13.346 0.068 1.00 0.00 N ATOM 238 CA LEU A 18 -0.031 11.914 0.058 1.00 0.00 C ATOM 239 C LEU A 18 -1.324 11.105 0.072 1.00 0.00 C ATOM 240 O LEU A 18 -1.499 10.181 -0.720 1.00 0.00 O ATOM 241 CB LEU A 18 0.834 11.536 1.261 1.00 0.00 C ATOM 242 CG LEU A 18 2.346 11.559 1.035 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.074 11.891 2.328 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.823 10.225 0.480 1.00 0.00 C ATOM 0 H LEU A 18 0.180 13.867 0.794 1.00 0.00 H new ATOM 0 HA LEU A 18 0.511 11.681 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.599 12.216 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.551 10.535 1.586 1.00 0.00 H new ATOM 0 HG LEU A 18 2.573 12.336 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.149 11.903 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.755 12.871 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.841 11.138 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.901 10.260 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.583 9.430 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.327 10.028 -0.470 1.00 0.00 H new ATOM 256 N GLY A 19 -2.230 11.462 0.978 1.00 0.00 N ATOM 257 CA GLY A 19 -3.496 10.761 1.077 1.00 0.00 C ATOM 258 C GLY A 19 -4.163 10.574 -0.272 1.00 0.00 C ATOM 259 O GLY A 19 -4.560 9.465 -0.627 1.00 0.00 O ATOM 0 H GLY A 19 -2.109 12.224 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.333 9.786 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.164 11.316 1.735 1.00 0.00 H new ATOM 263 N ALA A 20 -4.286 11.663 -1.025 1.00 0.00 N ATOM 264 CA ALA A 20 -4.909 11.614 -2.342 1.00 0.00 C ATOM 265 C ALA A 20 -4.105 10.738 -3.297 1.00 0.00 C ATOM 266 O ALA A 20 -4.670 10.026 -4.128 1.00 0.00 O ATOM 267 CB ALA A 20 -5.057 13.018 -2.908 1.00 0.00 C ATOM 0 H ALA A 20 -3.963 12.589 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.899 11.172 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.524 12.966 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.680 13.615 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.074 13.480 -2.997 1.00 0.00 H new ATOM 273 N LEU A 21 -2.783 10.796 -3.174 1.00 0.00 N ATOM 274 CA LEU A 21 -1.900 10.009 -4.028 1.00 0.00 C ATOM 275 C LEU A 21 -2.107 8.516 -3.795 1.00 0.00 C ATOM 276 O LEU A 21 -2.323 7.754 -4.738 1.00 0.00 O ATOM 277 CB LEU A 21 -0.440 10.380 -3.765 1.00 0.00 C ATOM 278 CG LEU A 21 0.584 9.812 -4.748 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.020 8.594 -5.463 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.005 10.875 -5.753 1.00 0.00 C ATOM 0 H LEU A 21 -2.299 11.380 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.144 10.234 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.355 11.467 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.176 10.045 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 21 1.465 9.502 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.763 8.204 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.231 7.826 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.877 8.878 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.734 10.453 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.132 11.216 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.451 11.718 -5.225 1.00 0.00 H new ATOM 292 N TYR A 22 -2.042 8.105 -2.533 1.00 0.00 N ATOM 293 CA TYR A 22 -2.222 6.702 -2.176 1.00 0.00 C ATOM 294 C TYR A 22 -3.498 6.142 -2.796 1.00 0.00 C ATOM 295 O TYR A 22 -3.556 4.972 -3.178 1.00 0.00 O ATOM 296 CB TYR A 22 -2.269 6.544 -0.655 1.00 0.00 C ATOM 297 CG TYR A 22 -2.899 5.246 -0.201 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.168 4.065 -0.186 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.225 5.202 0.212 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.740 2.877 0.228 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.804 4.019 0.629 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.058 2.859 0.634 1.00 0.00 C ATOM 303 OH TYR A 22 -4.631 1.679 1.047 1.00 0.00 O ATOM 0 H TYR A 22 -1.866 8.723 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.373 6.141 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.255 6.604 -0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.827 7.378 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.136 4.075 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.813 6.108 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.158 1.967 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.835 4.003 0.949 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.945 1.103 1.444 1.00 0.00 H new ATOM 313 N LEU A 23 -4.520 6.985 -2.895 1.00 0.00 N ATOM 314 CA LEU A 23 -5.797 6.576 -3.470 1.00 0.00 C ATOM 315 C LEU A 23 -5.638 6.207 -4.942 1.00 0.00 C ATOM 316 O LEU A 23 -6.215 5.226 -5.412 1.00 0.00 O ATOM 317 CB LEU A 23 -6.828 7.696 -3.322 1.00 0.00 C ATOM 318 CG LEU A 23 -7.265 8.021 -1.893 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.782 9.448 -1.804 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.328 7.037 -1.424 1.00 0.00 C ATOM 0 H LEU A 23 -4.489 7.956 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.146 5.696 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.418 8.601 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.713 7.427 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.398 7.929 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.088 9.661 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.993 10.140 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.636 9.568 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.627 7.283 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.195 7.097 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.923 6.025 -1.449 1.00 0.00 H new ATOM 332 N SER A 24 -4.851 6.998 -5.663 1.00 0.00 N ATOM 333 CA SER A 24 -4.617 6.755 -7.082 1.00 0.00 C ATOM 334 C SER A 24 -3.932 5.409 -7.297 1.00 0.00 C ATOM 335 O SER A 24 -4.059 4.799 -8.358 1.00 0.00 O ATOM 336 CB SER A 24 -3.764 7.876 -7.679 1.00 0.00 C ATOM 337 OG SER A 24 -4.541 9.038 -7.915 1.00 0.00 O ATOM 0 H SER A 24 -4.364 7.813 -5.289 1.00 0.00 H new ATOM 0 HA SER A 24 -5.583 6.736 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.945 8.114 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.316 7.538 -8.614 1.00 0.00 H new ATOM 0 HG SER A 24 -3.973 9.740 -8.295 1.00 0.00 H new ATOM 343 N MET A 25 -3.204 4.954 -6.283 1.00 0.00 N ATOM 344 CA MET A 25 -2.499 3.680 -6.360 1.00 0.00 C ATOM 345 C MET A 25 -3.432 2.521 -6.023 1.00 0.00 C ATOM 346 O MET A 25 -3.156 1.370 -6.362 1.00 0.00 O ATOM 347 CB MET A 25 -1.300 3.678 -5.410 1.00 0.00 C ATOM 348 CG MET A 25 -0.558 5.004 -5.365 1.00 0.00 C ATOM 349 SD MET A 25 0.852 4.973 -4.242 1.00 0.00 S ATOM 350 CE MET A 25 2.210 5.132 -5.399 1.00 0.00 C ATOM 0 H MET A 25 -3.087 5.448 -5.399 1.00 0.00 H new ATOM 0 HA MET A 25 -2.143 3.551 -7.382 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.643 3.429 -4.406 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.607 2.893 -5.714 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.213 5.257 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.246 5.791 -5.056 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.991 4.416 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.852 4.934 -6.409 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.614 6.143 -5.349 1.00 0.00 H new ATOM 360 N LYS A 26 -4.536 2.832 -5.353 1.00 0.00 N ATOM 361 CA LYS A 26 -5.511 1.817 -4.970 1.00 0.00 C ATOM 362 C LYS A 26 -6.344 1.382 -6.171 1.00 0.00 C ATOM 363 O LYS A 26 -6.891 0.280 -6.192 1.00 0.00 O ATOM 364 CB LYS A 26 -6.427 2.351 -3.867 1.00 0.00 C ATOM 365 CG LYS A 26 -5.769 2.399 -2.499 1.00 0.00 C ATOM 366 CD LYS A 26 -6.784 2.213 -1.384 1.00 0.00 C ATOM 367 CE LYS A 26 -7.591 3.481 -1.147 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.354 3.422 0.130 1.00 0.00 N ATOM 0 H LYS A 26 -4.778 3.780 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.967 0.950 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.759 3.354 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.317 1.724 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.008 1.621 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.260 3.354 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.457 1.394 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.269 1.931 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.921 4.340 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.282 3.632 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.877 4.311 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.024 2.627 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.694 3.287 0.923 1.00 0.00 H new ATOM 382 N ASP A 27 -6.434 2.254 -7.169 1.00 0.00 N ATOM 383 CA ASP A 27 -7.198 1.958 -8.376 1.00 0.00 C ATOM 384 C ASP A 27 -6.713 0.665 -9.024 1.00 0.00 C ATOM 385 O ASP A 27 -5.550 0.284 -8.880 1.00 0.00 O ATOM 386 CB ASP A 27 -7.088 3.114 -9.371 1.00 0.00 C ATOM 387 CG ASP A 27 -8.217 3.117 -10.383 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.312 2.149 -11.168 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.005 4.085 -10.390 1.00 0.00 O ATOM 0 H ASP A 27 -5.988 3.171 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.243 1.831 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.089 4.059 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.134 3.049 -9.895 1.00 0.00 H new ATOM 394 N THR A 28 -7.611 -0.007 -9.737 1.00 0.00 N ATOM 395 CA THR A 28 -7.275 -1.258 -10.404 1.00 0.00 C ATOM 396 C THR A 28 -6.632 -1.001 -11.762 1.00 0.00 C ATOM 397 O THR A 28 -5.766 -1.757 -12.201 1.00 0.00 O ATOM 398 CB THR A 28 -8.521 -2.143 -10.599 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.131 -3.512 -10.751 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.316 -1.698 -11.817 1.00 0.00 C ATOM 0 H THR A 28 -8.577 0.294 -9.867 1.00 0.00 H new ATOM 0 HA THR A 28 -6.565 -1.778 -9.761 1.00 0.00 H new ATOM 0 HB THR A 28 -9.153 -2.042 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.929 -4.068 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.191 -2.338 -11.934 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.637 -0.665 -11.684 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.691 -1.772 -12.707 1.00 0.00 H new ATOM 408 N GLU A 29 -7.060 0.070 -12.422 1.00 0.00 N ATOM 409 CA GLU A 29 -6.524 0.425 -13.731 1.00 0.00 C ATOM 410 C GLU A 29 -5.662 1.681 -13.643 1.00 0.00 C ATOM 411 O GLU A 29 -4.793 1.912 -14.484 1.00 0.00 O ATOM 412 CB GLU A 29 -7.662 0.644 -14.730 1.00 0.00 C ATOM 413 CG GLU A 29 -8.869 1.350 -14.134 1.00 0.00 C ATOM 414 CD GLU A 29 -9.632 2.166 -15.159 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.744 1.709 -16.316 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.117 3.261 -14.805 1.00 0.00 O ATOM 0 H GLU A 29 -7.776 0.707 -12.072 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.901 -0.400 -14.076 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.288 1.229 -15.571 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.976 -0.321 -15.127 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.537 0.610 -13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.541 2.004 -13.326 1.00 0.00 H new ATOM 423 N LYS A 30 -5.909 2.491 -12.618 1.00 0.00 N ATOM 424 CA LYS A 30 -5.156 3.723 -12.418 1.00 0.00 C ATOM 425 C LYS A 30 -4.266 3.623 -11.183 1.00 0.00 C ATOM 426 O LYS A 30 -3.712 4.620 -10.722 1.00 0.00 O ATOM 427 CB LYS A 30 -6.111 4.911 -12.276 1.00 0.00 C ATOM 428 CG LYS A 30 -7.240 4.909 -13.292 1.00 0.00 C ATOM 429 CD LYS A 30 -6.839 5.623 -14.572 1.00 0.00 C ATOM 430 CE LYS A 30 -8.055 6.130 -15.331 1.00 0.00 C ATOM 431 NZ LYS A 30 -7.671 7.010 -16.470 1.00 0.00 N ATOM 0 H LYS A 30 -6.625 2.316 -11.913 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.521 3.877 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.537 4.906 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.544 5.836 -12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.523 3.882 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.117 5.394 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.183 6.460 -14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.270 4.943 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.629 5.282 -15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.705 6.680 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.528 7.335 -16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.145 7.832 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.072 6.478 -17.133 1.00 0.00 H new ATOM 445 N GLY A 31 -4.133 2.411 -10.652 1.00 0.00 N ATOM 446 CA GLY A 31 -3.308 2.203 -9.476 1.00 0.00 C ATOM 447 C GLY A 31 -2.200 1.197 -9.716 1.00 0.00 C ATOM 448 O GLY A 31 -2.118 0.598 -10.789 1.00 0.00 O ATOM 0 H GLY A 31 -4.582 1.570 -11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.871 3.154 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.934 1.860 -8.653 1.00 0.00 H new ATOM 452 N ILE A 32 -1.344 1.012 -8.717 1.00 0.00 N ATOM 453 CA ILE A 32 -0.235 0.073 -8.826 1.00 0.00 C ATOM 454 C ILE A 32 -0.733 -1.369 -8.823 1.00 0.00 C ATOM 455 O ILE A 32 -1.525 -1.762 -7.966 1.00 0.00 O ATOM 456 CB ILE A 32 0.774 0.257 -7.677 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.353 1.673 -7.700 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.885 -0.777 -7.776 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.065 2.056 -6.422 1.00 0.00 C ATOM 0 H ILE A 32 -1.397 1.500 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 32 0.263 0.282 -9.773 1.00 0.00 H new ATOM 0 HB ILE A 32 0.254 0.112 -6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.050 1.758 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.547 2.383 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.590 -0.633 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.457 -1.778 -7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.405 -0.662 -8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.450 3.072 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.367 2.003 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.893 1.369 -6.247 1.00 0.00 H new ATOM 471 N LYS A 33 -0.263 -2.153 -9.786 1.00 0.00 N ATOM 472 CA LYS A 33 -0.657 -3.553 -9.895 1.00 0.00 C ATOM 473 C LYS A 33 0.202 -4.432 -8.991 1.00 0.00 C ATOM 474 O LYS A 33 1.320 -4.063 -8.633 1.00 0.00 O ATOM 475 CB LYS A 33 -0.539 -4.026 -11.345 1.00 0.00 C ATOM 476 CG LYS A 33 0.862 -3.893 -11.917 1.00 0.00 C ATOM 477 CD LYS A 33 1.142 -4.960 -12.962 1.00 0.00 C ATOM 478 CE LYS A 33 2.613 -4.994 -13.344 1.00 0.00 C ATOM 479 NZ LYS A 33 2.931 -4.010 -14.416 1.00 0.00 N ATOM 0 H LYS A 33 0.392 -1.843 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.695 -3.638 -9.575 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.849 -5.069 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.230 -3.453 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.982 -2.906 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.593 -3.970 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.842 -5.935 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.539 -4.769 -13.850 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.221 -4.782 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.878 -5.996 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.943 -4.064 -14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.369 -4.227 -15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.703 -3.051 -14.086 1.00 0.00 H new ATOM 493 N GLU A 34 -0.329 -5.595 -8.627 1.00 0.00 N ATOM 494 CA GLU A 34 0.391 -6.526 -7.765 1.00 0.00 C ATOM 495 C GLU A 34 0.760 -7.796 -8.525 1.00 0.00 C ATOM 496 O GLU A 34 0.197 -8.087 -9.581 1.00 0.00 O ATOM 497 CB GLU A 34 -0.455 -6.878 -6.539 1.00 0.00 C ATOM 498 CG GLU A 34 -0.916 -5.666 -5.749 1.00 0.00 C ATOM 499 CD GLU A 34 -2.213 -5.914 -5.003 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.105 -6.579 -5.571 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.336 -5.445 -3.853 1.00 0.00 O ATOM 0 H GLU A 34 -1.254 -5.915 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 34 1.310 -6.041 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.329 -7.445 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.123 -7.529 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.140 -5.384 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.047 -4.823 -6.428 1.00 0.00 H new ATOM 508 N LEU A 35 1.709 -8.550 -7.980 1.00 0.00 N ATOM 509 CA LEU A 35 2.155 -9.790 -8.606 1.00 0.00 C ATOM 510 C LEU A 35 2.135 -10.941 -7.606 1.00 0.00 C ATOM 511 O LEU A 35 1.803 -10.755 -6.437 1.00 0.00 O ATOM 512 CB LEU A 35 3.563 -9.618 -9.177 1.00 0.00 C ATOM 513 CG LEU A 35 3.682 -8.733 -10.418 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.556 -9.033 -11.396 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.675 -7.263 -10.028 1.00 0.00 C ATOM 0 H LEU A 35 2.184 -8.324 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 35 1.468 -10.027 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.201 -9.203 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.958 -10.605 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 35 4.630 -8.953 -10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.656 -8.394 -12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.607 -10.078 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.596 -8.842 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.761 -6.648 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.743 -7.027 -9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.516 -7.058 -9.366 1.00 0.00 H new ATOM 527 N ASN A 36 2.496 -12.132 -8.075 1.00 0.00 N ATOM 528 CA ASN A 36 2.522 -13.314 -7.222 1.00 0.00 C ATOM 529 C ASN A 36 3.911 -13.944 -7.206 1.00 0.00 C ATOM 530 O ASN A 36 4.231 -14.790 -8.042 1.00 0.00 O ATOM 531 CB ASN A 36 1.491 -14.338 -7.702 1.00 0.00 C ATOM 532 CG ASN A 36 1.554 -14.563 -9.201 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.322 -15.396 -9.683 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.746 -13.817 -9.945 1.00 0.00 N ATOM 0 H ASN A 36 2.774 -12.303 -9.041 1.00 0.00 H new ATOM 0 HA ASN A 36 2.272 -13.004 -6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.657 -15.285 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.492 -13.998 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.745 -13.922 -10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.126 -13.139 -9.502 1.00 0.00 H new ATOM 541 N LEU A 37 4.734 -13.525 -6.251 1.00 0.00 N ATOM 542 CA LEU A 37 6.090 -14.048 -6.125 1.00 0.00 C ATOM 543 C LEU A 37 6.204 -14.981 -4.924 1.00 0.00 C ATOM 544 O LEU A 37 5.273 -15.100 -4.128 1.00 0.00 O ATOM 545 CB LEU A 37 7.090 -12.899 -5.989 1.00 0.00 C ATOM 546 CG LEU A 37 7.007 -11.807 -7.057 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.518 -10.484 -6.508 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.792 -12.212 -8.296 1.00 0.00 C ATOM 0 H LEU A 37 4.486 -12.824 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 37 6.319 -14.616 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.950 -12.436 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.097 -13.317 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 37 5.962 -11.680 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.451 -9.719 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.913 -10.187 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.557 -10.596 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.722 -11.423 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.837 -12.367 -8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.380 -13.136 -8.702 1.00 0.00 H new ATOM 560 N GLU A 38 7.353 -15.639 -4.799 1.00 0.00 N ATOM 561 CA GLU A 38 7.588 -16.560 -3.693 1.00 0.00 C ATOM 562 C GLU A 38 9.012 -16.419 -3.161 1.00 0.00 C ATOM 563 O GLU A 38 9.976 -16.422 -3.927 1.00 0.00 O ATOM 564 CB GLU A 38 7.340 -18.002 -4.140 1.00 0.00 C ATOM 565 CG GLU A 38 7.091 -18.962 -2.989 1.00 0.00 C ATOM 566 CD GLU A 38 8.364 -19.617 -2.489 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.396 -18.919 -2.403 1.00 0.00 O ATOM 568 OE2 GLU A 38 8.327 -20.827 -2.183 1.00 0.00 O ATOM 0 H GLU A 38 8.134 -15.551 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 38 6.892 -16.311 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.482 -18.023 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.200 -18.349 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.617 -18.424 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.392 -19.734 -3.310 1.00 0.00 H new ATOM 575 N LYS A 39 9.135 -16.294 -1.844 1.00 0.00 N ATOM 576 CA LYS A 39 10.439 -16.152 -1.207 1.00 0.00 C ATOM 577 C LYS A 39 10.451 -16.820 0.164 1.00 0.00 C ATOM 578 O LYS A 39 9.410 -16.952 0.809 1.00 0.00 O ATOM 579 CB LYS A 39 10.803 -14.672 -1.069 1.00 0.00 C ATOM 580 CG LYS A 39 12.298 -14.420 -0.968 1.00 0.00 C ATOM 581 CD LYS A 39 12.946 -14.355 -2.340 1.00 0.00 C ATOM 582 CE LYS A 39 14.209 -13.508 -2.320 1.00 0.00 C ATOM 583 NZ LYS A 39 15.315 -14.178 -1.583 1.00 0.00 N ATOM 0 H LYS A 39 8.347 -16.288 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 39 11.179 -16.645 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.408 -14.128 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.314 -14.267 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.475 -13.485 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.763 -15.213 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.188 -15.363 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.239 -13.939 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.526 -13.304 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.994 -12.546 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.158 -13.568 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.023 -14.350 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.538 -15.084 -2.041 1.00 0.00 H new ATOM 597 N ASP A 40 11.632 -17.239 0.603 1.00 0.00 N ATOM 598 CA ASP A 40 11.779 -17.891 1.899 1.00 0.00 C ATOM 599 C ASP A 40 10.668 -18.911 2.123 1.00 0.00 C ATOM 600 O ASP A 40 10.161 -19.060 3.236 1.00 0.00 O ATOM 601 CB ASP A 40 11.768 -16.851 3.021 1.00 0.00 C ATOM 602 CG ASP A 40 12.437 -17.356 4.285 1.00 0.00 C ATOM 603 OD1 ASP A 40 12.261 -18.548 4.614 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.137 -16.559 4.944 1.00 0.00 O ATOM 0 H ASP A 40 12.502 -17.139 0.080 1.00 0.00 H new ATOM 0 HA ASP A 40 12.735 -18.414 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.275 -15.948 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.738 -16.573 3.245 1.00 0.00 H new ATOM 609 N LYS A 41 10.291 -19.612 1.059 1.00 0.00 N ATOM 610 CA LYS A 41 9.240 -20.619 1.138 1.00 0.00 C ATOM 611 C LYS A 41 7.911 -19.987 1.540 1.00 0.00 C ATOM 612 O LYS A 41 7.208 -20.496 2.413 1.00 0.00 O ATOM 613 CB LYS A 41 9.623 -21.708 2.142 1.00 0.00 C ATOM 614 CG LYS A 41 10.609 -22.724 1.591 1.00 0.00 C ATOM 615 CD LYS A 41 10.670 -23.969 2.458 1.00 0.00 C ATOM 616 CE LYS A 41 11.867 -24.838 2.103 1.00 0.00 C ATOM 617 NZ LYS A 41 13.088 -24.434 2.853 1.00 0.00 N ATOM 0 H LYS A 41 10.699 -19.501 0.131 1.00 0.00 H new ATOM 0 HA LYS A 41 9.126 -21.067 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.054 -21.239 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.720 -22.228 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.320 -23.000 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.600 -22.274 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.727 -23.680 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.752 -24.544 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.636 -25.881 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.060 -24.771 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.881 -25.050 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.324 -23.447 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.913 -24.522 3.874 1.00 0.00 H new ATOM 631 N LYS A 42 7.570 -18.876 0.896 1.00 0.00 N ATOM 632 CA LYS A 42 6.324 -18.176 1.183 1.00 0.00 C ATOM 633 C LYS A 42 5.823 -17.430 -0.049 1.00 0.00 C ATOM 634 O LYS A 42 6.587 -16.736 -0.720 1.00 0.00 O ATOM 635 CB LYS A 42 6.522 -17.194 2.341 1.00 0.00 C ATOM 636 CG LYS A 42 7.017 -17.852 3.617 1.00 0.00 C ATOM 637 CD LYS A 42 7.163 -16.843 4.744 1.00 0.00 C ATOM 638 CE LYS A 42 8.267 -17.243 5.711 1.00 0.00 C ATOM 639 NZ LYS A 42 8.266 -16.395 6.935 1.00 0.00 N ATOM 0 H LYS A 42 8.140 -18.441 0.171 1.00 0.00 H new ATOM 0 HA LYS A 42 5.577 -18.917 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.234 -16.426 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.577 -16.690 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.321 -18.636 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.978 -18.332 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.381 -15.860 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.219 -16.758 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.141 -18.288 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.233 -17.161 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.033 -16.699 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.411 -15.400 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.353 -16.493 7.424 1.00 0.00 H new ATOM 653 N ILE A 43 4.534 -17.576 -0.340 1.00 0.00 N ATOM 654 CA ILE A 43 3.931 -16.914 -1.490 1.00 0.00 C ATOM 655 C ILE A 43 3.486 -15.499 -1.138 1.00 0.00 C ATOM 656 O ILE A 43 2.493 -15.305 -0.436 1.00 0.00 O ATOM 657 CB ILE A 43 2.721 -17.703 -2.023 1.00 0.00 C ATOM 658 CG1 ILE A 43 3.177 -19.035 -2.623 1.00 0.00 C ATOM 659 CG2 ILE A 43 1.967 -16.881 -3.058 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.759 -18.904 -4.013 1.00 0.00 C ATOM 0 H ILE A 43 3.888 -18.147 0.205 1.00 0.00 H new ATOM 0 HA ILE A 43 4.696 -16.870 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 43 2.047 -17.912 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.923 -19.484 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.329 -19.719 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.114 -17.452 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.615 -15.956 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.631 -16.645 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.061 -19.887 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.009 -18.485 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.627 -18.246 -3.983 1.00 0.00 H new ATOM 672 N PHE A 44 4.226 -14.512 -1.633 1.00 0.00 N ATOM 673 CA PHE A 44 3.907 -13.113 -1.372 1.00 0.00 C ATOM 674 C PHE A 44 2.827 -12.613 -2.327 1.00 0.00 C ATOM 675 O PHE A 44 3.113 -12.248 -3.467 1.00 0.00 O ATOM 676 CB PHE A 44 5.162 -12.248 -1.505 1.00 0.00 C ATOM 677 CG PHE A 44 6.144 -12.440 -0.386 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.811 -13.645 -0.231 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.401 -11.416 0.512 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.715 -13.825 0.799 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.305 -11.590 1.543 1.00 0.00 C ATOM 682 CZ PHE A 44 7.963 -12.796 1.687 1.00 0.00 C ATOM 0 H PHE A 44 5.050 -14.655 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 44 3.528 -13.037 -0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.652 -12.477 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.868 -11.199 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.622 -14.453 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.889 -10.471 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.227 -14.769 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.497 -10.784 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.670 -12.934 2.492 1.00 0.00 H new ATOM 692 N ASN A 45 1.585 -12.602 -1.854 1.00 0.00 N ATOM 693 CA ASN A 45 0.462 -12.149 -2.666 1.00 0.00 C ATOM 694 C ASN A 45 0.168 -10.674 -2.414 1.00 0.00 C ATOM 695 O ASN A 45 0.479 -10.141 -1.348 1.00 0.00 O ATOM 696 CB ASN A 45 -0.782 -12.987 -2.366 1.00 0.00 C ATOM 697 CG ASN A 45 -0.762 -14.327 -3.075 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.699 -14.391 -4.303 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.817 -15.406 -2.303 1.00 0.00 N ATOM 0 H ASN A 45 1.331 -12.902 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 45 0.731 -12.273 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.857 -13.149 -1.291 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.671 -12.433 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.808 -16.335 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.868 -15.306 -1.289 1.00 0.00 H new ATOM 706 N HIS A 46 -0.433 -10.018 -3.401 1.00 0.00 N ATOM 707 CA HIS A 46 -0.770 -8.603 -3.286 1.00 0.00 C ATOM 708 C HIS A 46 0.474 -7.770 -2.997 1.00 0.00 C ATOM 709 O HIS A 46 0.447 -6.865 -2.162 1.00 0.00 O ATOM 710 CB HIS A 46 -1.807 -8.393 -2.182 1.00 0.00 C ATOM 711 CG HIS A 46 -3.108 -9.088 -2.442 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.855 -8.885 -3.584 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.794 -9.989 -1.701 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.945 -9.629 -3.532 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.932 -10.310 -2.400 1.00 0.00 N ATOM 0 H HIS A 46 -0.697 -10.443 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.191 -8.276 -4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.397 -8.749 -1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.992 -7.325 -2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.605 -8.258 -4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.501 -10.383 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.716 -9.673 -4.287 1.00 0.00 H new ATOM 724 N CYS A 47 1.563 -8.081 -3.691 1.00 0.00 N ATOM 725 CA CYS A 47 2.819 -7.362 -3.508 1.00 0.00 C ATOM 726 C CYS A 47 3.337 -6.825 -4.838 1.00 0.00 C ATOM 727 O CYS A 47 3.241 -7.492 -5.868 1.00 0.00 O ATOM 728 CB CYS A 47 3.866 -8.276 -2.870 1.00 0.00 C ATOM 729 SG CYS A 47 4.695 -9.377 -4.039 1.00 0.00 S ATOM 0 H CYS A 47 1.602 -8.827 -4.386 1.00 0.00 H new ATOM 0 HA CYS A 47 2.632 -6.518 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.616 -7.660 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.386 -8.878 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 47 4.276 -9.126 -5.244 1.00 0.00 H new ATOM 735 N PHE A 48 3.886 -5.615 -4.808 1.00 0.00 N ATOM 736 CA PHE A 48 4.417 -4.987 -6.012 1.00 0.00 C ATOM 737 C PHE A 48 5.879 -4.593 -5.820 1.00 0.00 C ATOM 738 O PHE A 48 6.232 -3.928 -4.846 1.00 0.00 O ATOM 739 CB PHE A 48 3.588 -3.754 -6.378 1.00 0.00 C ATOM 740 CG PHE A 48 3.128 -2.966 -5.186 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.970 -2.049 -4.578 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.853 -3.141 -4.673 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.549 -1.322 -3.480 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.426 -2.418 -3.575 1.00 0.00 C ATOM 745 CZ PHE A 48 2.275 -1.506 -2.979 1.00 0.00 C ATOM 0 H PHE A 48 3.975 -5.050 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 48 4.358 -5.710 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.180 -3.107 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.717 -4.069 -6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.967 -1.900 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.184 -3.851 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.215 -0.611 -3.015 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.430 -2.566 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.943 -0.938 -2.123 1.00 0.00 H new ATOM 755 N THR A 49 6.726 -5.008 -6.757 1.00 0.00 N ATOM 756 CA THR A 49 8.149 -4.701 -6.691 1.00 0.00 C ATOM 757 C THR A 49 8.379 -3.224 -6.391 1.00 0.00 C ATOM 758 O THR A 49 7.448 -2.421 -6.427 1.00 0.00 O ATOM 759 CB THR A 49 8.863 -5.062 -8.007 1.00 0.00 C ATOM 760 OG1 THR A 49 8.288 -4.329 -9.094 1.00 0.00 O ATOM 761 CG2 THR A 49 8.762 -6.555 -8.286 1.00 0.00 C ATOM 0 H THR A 49 6.451 -5.558 -7.571 1.00 0.00 H new ATOM 0 HA THR A 49 8.565 -5.303 -5.883 1.00 0.00 H new ATOM 0 HB THR A 49 9.916 -4.797 -7.907 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.002 -3.916 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.273 -6.786 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.227 -7.110 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.713 -6.840 -8.367 1.00 0.00 H new ATOM 769 N GLY A 50 9.627 -2.873 -6.094 1.00 0.00 N ATOM 770 CA GLY A 50 9.957 -1.492 -5.791 1.00 0.00 C ATOM 771 C GLY A 50 9.920 -0.605 -7.020 1.00 0.00 C ATOM 772 O GLY A 50 9.414 0.515 -6.970 1.00 0.00 O ATOM 0 H GLY A 50 10.415 -3.520 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.257 -1.109 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.951 -1.448 -5.345 1.00 0.00 H new ATOM 776 N ASN A 51 10.459 -1.107 -8.126 1.00 0.00 N ATOM 777 CA ASN A 51 10.488 -0.351 -9.373 1.00 0.00 C ATOM 778 C ASN A 51 9.079 0.052 -9.798 1.00 0.00 C ATOM 779 O ASN A 51 8.808 1.227 -10.049 1.00 0.00 O ATOM 780 CB ASN A 51 11.150 -1.175 -10.479 1.00 0.00 C ATOM 781 CG ASN A 51 10.153 -2.025 -11.242 1.00 0.00 C ATOM 782 OD1 ASN A 51 10.052 -3.296 -10.870 1.00 0.00 O flip ATOM 783 ND2 ASN A 51 9.482 -1.545 -12.155 1.00 0.00 N flip ATOM 0 H ASN A 51 10.881 -2.034 -8.184 1.00 0.00 H new ATOM 0 HA ASN A 51 11.071 0.555 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.658 -0.505 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.913 -1.819 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.592 -0.563 -12.407 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.815 -2.129 -12.660 1.00 0.00 H new ATOM 790 N CYS A 52 8.188 -0.929 -9.875 1.00 0.00 N ATOM 791 CA CYS A 52 6.806 -0.678 -10.269 1.00 0.00 C ATOM 792 C CYS A 52 6.272 0.586 -9.604 1.00 0.00 C ATOM 793 O CYS A 52 5.628 1.415 -10.248 1.00 0.00 O ATOM 794 CB CYS A 52 5.924 -1.873 -9.904 1.00 0.00 C ATOM 795 SG CYS A 52 5.853 -3.155 -11.177 1.00 0.00 S ATOM 0 H CYS A 52 8.397 -1.906 -9.670 1.00 0.00 H new ATOM 0 HA CYS A 52 6.783 -0.536 -11.349 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.294 -2.315 -8.979 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.913 -1.517 -9.705 1.00 0.00 H new ATOM 0 HG CYS A 52 5.085 -4.124 -10.775 1.00 0.00 H new ATOM 801 N VAL A 53 6.542 0.727 -8.310 1.00 0.00 N ATOM 802 CA VAL A 53 6.089 1.890 -7.556 1.00 0.00 C ATOM 803 C VAL A 53 6.654 3.179 -8.141 1.00 0.00 C ATOM 804 O VAL A 53 5.907 4.055 -8.576 1.00 0.00 O ATOM 805 CB VAL A 53 6.494 1.790 -6.074 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.166 3.084 -5.343 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.806 0.606 -5.412 1.00 0.00 C ATOM 0 H VAL A 53 7.072 0.050 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 53 5.001 1.909 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 53 7.571 1.632 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.459 2.995 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.709 3.910 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.095 3.275 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.104 0.551 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.725 0.731 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.095 -0.314 -5.920 1.00 0.00 H new ATOM 817 N ILE A 54 7.979 3.287 -8.149 1.00 0.00 N ATOM 818 CA ILE A 54 8.645 4.468 -8.683 1.00 0.00 C ATOM 819 C ILE A 54 8.099 4.833 -10.060 1.00 0.00 C ATOM 820 O ILE A 54 7.536 5.910 -10.250 1.00 0.00 O ATOM 821 CB ILE A 54 10.167 4.259 -8.785 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.725 3.753 -7.453 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.854 5.552 -9.196 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.322 4.602 -6.268 1.00 0.00 C ATOM 0 H ILE A 54 8.612 2.571 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 54 8.445 5.284 -7.988 1.00 0.00 H new ATOM 0 HB ILE A 54 10.364 3.507 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.384 2.731 -7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.813 3.720 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.929 5.387 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.475 5.873 -10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.651 6.324 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.753 4.185 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.687 5.619 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.235 4.615 -6.182 1.00 0.00 H new ATOM 836 N ASP A 55 8.270 3.926 -11.016 1.00 0.00 N ATOM 837 CA ASP A 55 7.792 4.150 -12.375 1.00 0.00 C ATOM 838 C ASP A 55 6.345 4.632 -12.370 1.00 0.00 C ATOM 839 O ASP A 55 6.006 5.616 -13.028 1.00 0.00 O ATOM 840 CB ASP A 55 7.912 2.867 -13.199 1.00 0.00 C ATOM 841 CG ASP A 55 7.631 3.095 -14.671 1.00 0.00 C ATOM 842 OD1 ASP A 55 7.831 4.234 -15.144 1.00 0.00 O ATOM 843 OD2 ASP A 55 7.213 2.135 -15.350 1.00 0.00 O ATOM 0 H ASP A 55 8.736 3.030 -10.875 1.00 0.00 H new ATOM 0 HA ASP A 55 8.412 4.923 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.915 2.457 -13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.217 2.123 -12.811 1.00 0.00 H new ATOM 848 N TRP A 56 5.496 3.932 -11.626 1.00 0.00 N ATOM 849 CA TRP A 56 4.085 4.289 -11.536 1.00 0.00 C ATOM 850 C TRP A 56 3.913 5.795 -11.377 1.00 0.00 C ATOM 851 O TRP A 56 3.077 6.409 -12.043 1.00 0.00 O ATOM 852 CB TRP A 56 3.427 3.561 -10.362 1.00 0.00 C ATOM 853 CG TRP A 56 1.950 3.796 -10.270 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.959 2.974 -10.724 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.298 4.931 -9.688 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.270 3.529 -10.460 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.090 4.729 -9.825 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.751 6.096 -9.064 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.025 5.650 -9.360 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.821 7.010 -8.604 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.553 6.782 -8.753 1.00 0.00 C ATOM 0 H TRP A 56 5.760 3.114 -11.077 1.00 0.00 H new ATOM 0 HA TRP A 56 3.599 3.983 -12.462 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.612 2.491 -10.457 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.898 3.884 -9.434 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.118 2.027 -11.218 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.171 3.114 -10.698 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.808 6.279 -8.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.085 5.477 -9.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.160 7.915 -8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.254 7.515 -8.381 1.00 0.00 H new ATOM 872 N LEU A 57 4.707 6.387 -10.492 1.00 0.00 N ATOM 873 CA LEU A 57 4.643 7.823 -10.246 1.00 0.00 C ATOM 874 C LEU A 57 5.009 8.608 -11.501 1.00 0.00 C ATOM 875 O LEU A 57 4.406 9.638 -11.800 1.00 0.00 O ATOM 876 CB LEU A 57 5.580 8.207 -9.099 1.00 0.00 C ATOM 877 CG LEU A 57 5.135 7.782 -7.699 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.343 7.549 -6.803 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.213 8.829 -7.091 1.00 0.00 C ATOM 0 H LEU A 57 5.403 5.894 -9.932 1.00 0.00 H new ATOM 0 HA LEU A 57 3.619 8.073 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.560 7.771 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.706 9.290 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 57 4.583 6.846 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.007 7.247 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.966 6.763 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.922 8.469 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.906 8.510 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.740 9.781 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.332 8.948 -7.721 1.00 0.00 H new ATOM 891 N VAL A 58 6.001 8.112 -12.234 1.00 0.00 N ATOM 892 CA VAL A 58 6.447 8.765 -13.459 1.00 0.00 C ATOM 893 C VAL A 58 5.397 8.645 -14.559 1.00 0.00 C ATOM 894 O VAL A 58 4.959 9.646 -15.124 1.00 0.00 O ATOM 895 CB VAL A 58 7.773 8.167 -13.964 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.278 8.933 -15.177 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.813 8.165 -12.853 1.00 0.00 C ATOM 0 H VAL A 58 6.511 7.260 -12.001 1.00 0.00 H new ATOM 0 HA VAL A 58 6.600 9.817 -13.219 1.00 0.00 H new ATOM 0 HB VAL A 58 7.594 7.135 -14.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.216 8.495 -15.519 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.539 8.877 -15.976 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.442 9.976 -14.906 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.744 7.739 -13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.990 9.187 -12.519 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.451 7.567 -12.017 1.00 0.00 H new ATOM 907 N SER A 59 4.998 7.412 -14.856 1.00 0.00 N ATOM 908 CA SER A 59 4.002 7.160 -15.890 1.00 0.00 C ATOM 909 C SER A 59 2.699 7.890 -15.579 1.00 0.00 C ATOM 910 O SER A 59 1.842 8.051 -16.447 1.00 0.00 O ATOM 911 CB SER A 59 3.739 5.658 -16.020 1.00 0.00 C ATOM 912 OG SER A 59 3.253 5.335 -17.312 1.00 0.00 O ATOM 0 H SER A 59 5.349 6.573 -14.395 1.00 0.00 H new ATOM 0 HA SER A 59 4.393 7.537 -16.835 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.659 5.106 -15.826 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.015 5.346 -15.267 1.00 0.00 H new ATOM 0 HG SER A 59 3.094 4.370 -17.370 1.00 0.00 H new ATOM 918 N ASN A 60 2.557 8.330 -14.333 1.00 0.00 N ATOM 919 CA ASN A 60 1.359 9.043 -13.905 1.00 0.00 C ATOM 920 C ASN A 60 1.597 10.550 -13.895 1.00 0.00 C ATOM 921 O ASN A 60 0.872 11.298 -13.240 1.00 0.00 O ATOM 922 CB ASN A 60 0.931 8.574 -12.513 1.00 0.00 C ATOM 923 CG ASN A 60 0.091 7.312 -12.561 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.028 7.279 -12.050 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.630 6.267 -13.177 1.00 0.00 N ATOM 0 H ASN A 60 3.257 8.205 -13.602 1.00 0.00 H new ATOM 0 HA ASN A 60 0.563 8.824 -14.616 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.817 8.394 -11.905 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.364 9.366 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.113 5.390 -13.241 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.561 6.341 -13.586 1.00 0.00 H new ATOM 932 N GLN A 61 2.617 10.987 -14.627 1.00 0.00 N ATOM 933 CA GLN A 61 2.950 12.405 -14.702 1.00 0.00 C ATOM 934 C GLN A 61 2.980 13.032 -13.312 1.00 0.00 C ATOM 935 O GLN A 61 2.639 14.202 -13.141 1.00 0.00 O ATOM 936 CB GLN A 61 1.941 13.141 -15.585 1.00 0.00 C ATOM 937 CG GLN A 61 1.779 12.526 -16.966 1.00 0.00 C ATOM 938 CD GLN A 61 0.408 12.783 -17.561 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.100 13.904 -17.520 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.200 11.742 -18.118 1.00 0.00 N ATOM 0 H GLN A 61 3.226 10.380 -15.176 1.00 0.00 H new ATOM 0 HA GLN A 61 3.943 12.496 -15.143 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.973 13.151 -15.085 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.255 14.179 -15.693 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.542 12.930 -17.632 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.948 11.451 -16.903 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.258 10.831 -18.130 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.125 11.854 -18.534 1.00 0.00 H new ATOM 949 N SER A 62 3.389 12.245 -12.322 1.00 0.00 N ATOM 950 CA SER A 62 3.459 12.721 -10.946 1.00 0.00 C ATOM 951 C SER A 62 4.855 13.248 -10.624 1.00 0.00 C ATOM 952 O SER A 62 5.010 14.206 -9.866 1.00 0.00 O ATOM 953 CB SER A 62 3.088 11.599 -9.975 1.00 0.00 C ATOM 954 OG SER A 62 1.886 10.961 -10.369 1.00 0.00 O ATOM 0 H SER A 62 3.677 11.275 -12.448 1.00 0.00 H new ATOM 0 HA SER A 62 2.746 13.538 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.895 10.868 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.975 12.006 -8.970 1.00 0.00 H new ATOM 0 HG SER A 62 1.671 10.247 -9.733 1.00 0.00 H new ATOM 960 N VAL A 63 5.868 12.613 -11.205 1.00 0.00 N ATOM 961 CA VAL A 63 7.251 13.017 -10.981 1.00 0.00 C ATOM 962 C VAL A 63 7.975 13.253 -12.302 1.00 0.00 C ATOM 963 O VAL A 63 7.491 12.864 -13.365 1.00 0.00 O ATOM 964 CB VAL A 63 8.021 11.957 -10.170 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.629 12.021 -8.701 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.771 10.568 -10.737 1.00 0.00 C ATOM 0 H VAL A 63 5.757 11.818 -11.834 1.00 0.00 H new ATOM 0 HA VAL A 63 7.221 13.947 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 63 9.087 12.169 -10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.183 11.265 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.864 13.009 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.560 11.835 -8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.322 9.832 -10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.705 10.343 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.106 10.533 -11.774 1.00 0.00 H new ATOM 976 N ARG A 64 9.137 13.894 -12.227 1.00 0.00 N ATOM 977 CA ARG A 64 9.927 14.184 -13.418 1.00 0.00 C ATOM 978 C ARG A 64 10.673 12.940 -13.891 1.00 0.00 C ATOM 979 O ARG A 64 10.784 12.689 -15.090 1.00 0.00 O ATOM 980 CB ARG A 64 10.922 15.311 -13.133 1.00 0.00 C ATOM 981 CG ARG A 64 10.269 16.585 -12.623 1.00 0.00 C ATOM 982 CD ARG A 64 11.294 17.689 -12.410 1.00 0.00 C ATOM 983 NE ARG A 64 10.698 19.018 -12.522 1.00 0.00 N ATOM 984 CZ ARG A 64 11.382 20.145 -12.364 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.678 20.105 -12.088 1.00 0.00 N ATOM 986 NH2 ARG A 64 10.769 21.316 -12.482 1.00 0.00 N ATOM 0 H ARG A 64 9.552 14.222 -11.355 1.00 0.00 H new ATOM 0 HA ARG A 64 9.246 14.501 -14.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.648 14.966 -12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.474 15.536 -14.045 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.515 16.919 -13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.753 16.380 -11.685 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.748 17.577 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.094 17.587 -13.143 1.00 0.00 H new ATOM 0 HE ARG A 64 9.702 19.084 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.152 19.207 -11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.201 20.973 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.772 21.351 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.295 22.181 -12.361 1.00 0.00 H new ATOM 1000 N ASN A 65 11.183 12.164 -12.940 1.00 0.00 N ATOM 1001 CA ASN A 65 11.919 10.947 -13.259 1.00 0.00 C ATOM 1002 C ASN A 65 11.841 9.946 -12.110 1.00 0.00 C ATOM 1003 O ASN A 65 11.176 10.192 -11.104 1.00 0.00 O ATOM 1004 CB ASN A 65 13.382 11.276 -13.564 1.00 0.00 C ATOM 1005 CG ASN A 65 14.250 11.259 -12.321 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.591 10.196 -11.802 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.612 12.442 -11.836 1.00 0.00 N ATOM 0 H ASN A 65 11.100 12.357 -11.942 1.00 0.00 H new ATOM 0 HA ASN A 65 11.462 10.497 -14.141 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.771 10.557 -14.285 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.441 12.259 -14.031 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.196 12.494 -11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.306 13.298 -12.299 1.00 0.00 H new ATOM 1014 N ARG A 66 12.524 8.817 -12.268 1.00 0.00 N ATOM 1015 CA ARG A 66 12.531 7.779 -11.245 1.00 0.00 C ATOM 1016 C ARG A 66 12.939 8.352 -9.891 1.00 0.00 C ATOM 1017 O ARG A 66 12.147 8.367 -8.949 1.00 0.00 O ATOM 1018 CB ARG A 66 13.485 6.650 -11.640 1.00 0.00 C ATOM 1019 CG ARG A 66 12.835 5.576 -12.498 1.00 0.00 C ATOM 1020 CD ARG A 66 12.878 5.940 -13.973 1.00 0.00 C ATOM 1021 NE ARG A 66 11.832 5.262 -14.735 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.518 5.571 -15.988 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.167 6.541 -16.618 1.00 0.00 N ATOM 1024 NH2 ARG A 66 10.554 4.908 -16.614 1.00 0.00 N ATOM 0 H ARG A 66 13.080 8.598 -13.095 1.00 0.00 H new ATOM 0 HA ARG A 66 11.520 7.380 -11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.331 7.073 -12.182 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.883 6.189 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.345 4.626 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.800 5.437 -12.186 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.766 7.019 -14.084 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.853 5.677 -14.383 1.00 0.00 H new ATOM 0 HE ARG A 66 11.314 4.510 -14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.909 7.052 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.924 6.776 -17.580 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.054 4.161 -16.133 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.313 5.146 -17.576 1.00 0.00 H new ATOM 1038 N GLN A 67 14.178 8.824 -9.803 1.00 0.00 N ATOM 1039 CA GLN A 67 14.690 9.397 -8.564 1.00 0.00 C ATOM 1040 C GLN A 67 13.644 10.289 -7.903 1.00 0.00 C ATOM 1041 O GLN A 67 13.412 10.200 -6.698 1.00 0.00 O ATOM 1042 CB GLN A 67 15.963 10.200 -8.837 1.00 0.00 C ATOM 1043 CG GLN A 67 17.236 9.375 -8.739 1.00 0.00 C ATOM 1044 CD GLN A 67 17.792 9.324 -7.330 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.763 10.009 -7.008 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.178 8.510 -6.480 1.00 0.00 N ATOM 0 H GLN A 67 14.846 8.821 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 67 14.924 8.578 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.900 10.638 -9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.020 11.026 -8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.034 8.360 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.988 9.794 -9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.376 7.960 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.508 8.434 -5.518 1.00 0.00 H new ATOM 1055 N GLU A 68 13.017 11.148 -8.701 1.00 0.00 N ATOM 1056 CA GLU A 68 11.997 12.057 -8.192 1.00 0.00 C ATOM 1057 C GLU A 68 10.909 11.290 -7.445 1.00 0.00 C ATOM 1058 O GLU A 68 10.395 11.754 -6.428 1.00 0.00 O ATOM 1059 CB GLU A 68 11.375 12.856 -9.340 1.00 0.00 C ATOM 1060 CG GLU A 68 12.317 13.883 -9.946 1.00 0.00 C ATOM 1061 CD GLU A 68 13.252 14.494 -8.920 1.00 0.00 C ATOM 1062 OE1 GLU A 68 12.760 15.205 -8.019 1.00 0.00 O ATOM 1063 OE2 GLU A 68 14.474 14.261 -9.018 1.00 0.00 O ATOM 0 H GLU A 68 13.197 11.233 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 68 12.476 12.746 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.053 12.166 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.482 13.364 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.905 13.411 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.733 14.674 -10.416 1.00 0.00 H new ATOM 1070 N GLY A 69 10.564 10.113 -7.958 1.00 0.00 N ATOM 1071 CA GLY A 69 9.540 9.301 -7.327 1.00 0.00 C ATOM 1072 C GLY A 69 10.044 8.592 -6.086 1.00 0.00 C ATOM 1073 O GLY A 69 9.256 8.076 -5.293 1.00 0.00 O ATOM 0 H GLY A 69 10.975 9.708 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.692 9.933 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.176 8.562 -8.041 1.00 0.00 H new ATOM 1077 N LEU A 70 11.362 8.564 -5.917 1.00 0.00 N ATOM 1078 CA LEU A 70 11.972 7.912 -4.764 1.00 0.00 C ATOM 1079 C LEU A 70 11.504 8.556 -3.463 1.00 0.00 C ATOM 1080 O LEU A 70 11.179 7.865 -2.498 1.00 0.00 O ATOM 1081 CB LEU A 70 13.497 7.981 -4.861 1.00 0.00 C ATOM 1082 CG LEU A 70 14.262 6.805 -4.253 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.618 6.367 -2.946 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.323 5.643 -5.234 1.00 0.00 C ATOM 0 H LEU A 70 12.028 8.985 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 70 11.661 6.867 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.771 8.062 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.831 8.897 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 70 15.281 7.130 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.176 5.529 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.627 7.197 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.589 6.060 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.871 4.815 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.311 5.319 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.830 5.962 -6.145 1.00 0.00 H new ATOM 1096 N MET A 71 11.471 9.885 -3.445 1.00 0.00 N ATOM 1097 CA MET A 71 11.039 10.623 -2.264 1.00 0.00 C ATOM 1098 C MET A 71 9.556 10.394 -1.992 1.00 0.00 C ATOM 1099 O MET A 71 9.175 9.953 -0.907 1.00 0.00 O ATOM 1100 CB MET A 71 11.312 12.118 -2.442 1.00 0.00 C ATOM 1101 CG MET A 71 12.739 12.428 -2.865 1.00 0.00 C ATOM 1102 SD MET A 71 13.241 14.106 -2.436 1.00 0.00 S ATOM 1103 CE MET A 71 12.159 15.064 -3.495 1.00 0.00 C ATOM 0 H MET A 71 11.738 10.472 -4.235 1.00 0.00 H new ATOM 0 HA MET A 71 11.608 10.257 -1.409 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.625 12.518 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.100 12.632 -1.505 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.417 11.718 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.833 12.289 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.362 16.126 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.335 14.793 -4.536 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.120 14.857 -3.237 1.00 0.00 H new ATOM 1113 N ILE A 72 8.724 10.697 -2.982 1.00 0.00 N ATOM 1114 CA ILE A 72 7.283 10.523 -2.849 1.00 0.00 C ATOM 1115 C ILE A 72 6.937 9.098 -2.429 1.00 0.00 C ATOM 1116 O ILE A 72 6.007 8.877 -1.654 1.00 0.00 O ATOM 1117 CB ILE A 72 6.552 10.850 -4.164 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.811 12.303 -4.570 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.059 10.593 -4.019 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.188 13.312 -3.632 1.00 0.00 C ATOM 0 H ILE A 72 9.023 11.064 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 72 6.952 11.217 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 72 6.938 10.199 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.887 12.474 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.423 12.466 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.556 10.829 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.893 9.545 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.657 11.221 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.412 14.320 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.108 13.168 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.594 13.176 -2.630 1.00 0.00 H new ATOM 1132 N ALA A 73 7.694 8.135 -2.945 1.00 0.00 N ATOM 1133 CA ALA A 73 7.471 6.732 -2.621 1.00 0.00 C ATOM 1134 C ALA A 73 7.772 6.453 -1.152 1.00 0.00 C ATOM 1135 O ALA A 73 6.955 5.868 -0.441 1.00 0.00 O ATOM 1136 CB ALA A 73 8.322 5.842 -3.515 1.00 0.00 C ATOM 0 H ALA A 73 8.467 8.301 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 73 6.419 6.506 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.145 4.797 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.056 6.013 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.376 6.078 -3.366 1.00 0.00 H new ATOM 1142 N SER A 74 8.951 6.874 -0.705 1.00 0.00 N ATOM 1143 CA SER A 74 9.362 6.665 0.679 1.00 0.00 C ATOM 1144 C SER A 74 8.331 7.242 1.645 1.00 0.00 C ATOM 1145 O SER A 74 7.870 6.560 2.559 1.00 0.00 O ATOM 1146 CB SER A 74 10.728 7.306 0.930 1.00 0.00 C ATOM 1147 OG SER A 74 10.740 8.661 0.514 1.00 0.00 O ATOM 0 H SER A 74 9.638 7.361 -1.280 1.00 0.00 H new ATOM 0 HA SER A 74 9.435 5.591 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.972 7.246 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.498 6.751 0.394 1.00 0.00 H new ATOM 0 HG SER A 74 10.077 8.791 -0.196 1.00 0.00 H new ATOM 1153 N SER A 75 7.975 8.506 1.434 1.00 0.00 N ATOM 1154 CA SER A 75 7.002 9.178 2.288 1.00 0.00 C ATOM 1155 C SER A 75 5.757 8.317 2.474 1.00 0.00 C ATOM 1156 O SER A 75 5.341 8.041 3.601 1.00 0.00 O ATOM 1157 CB SER A 75 6.616 10.531 1.688 1.00 0.00 C ATOM 1158 OG SER A 75 6.654 10.491 0.272 1.00 0.00 O ATOM 0 H SER A 75 8.345 9.084 0.680 1.00 0.00 H new ATOM 0 HA SER A 75 7.460 9.338 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.615 10.807 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.297 11.301 2.051 1.00 0.00 H new ATOM 0 HG SER A 75 6.106 9.745 -0.049 1.00 0.00 H new ATOM 1164 N LEU A 76 5.165 7.895 1.362 1.00 0.00 N ATOM 1165 CA LEU A 76 3.966 7.065 1.401 1.00 0.00 C ATOM 1166 C LEU A 76 4.124 5.928 2.406 1.00 0.00 C ATOM 1167 O LEU A 76 3.189 5.596 3.136 1.00 0.00 O ATOM 1168 CB LEU A 76 3.670 6.496 0.012 1.00 0.00 C ATOM 1169 CG LEU A 76 2.919 7.422 -0.946 1.00 0.00 C ATOM 1170 CD1 LEU A 76 2.952 6.865 -2.361 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.484 7.619 -0.481 1.00 0.00 C ATOM 0 H LEU A 76 5.496 8.114 0.422 1.00 0.00 H new ATOM 0 HA LEU A 76 3.131 7.691 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.615 6.215 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.089 5.582 0.132 1.00 0.00 H new ATOM 0 HG LEU A 76 3.415 8.393 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.413 7.537 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.986 6.776 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.480 5.882 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.964 8.281 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.976 6.655 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.482 8.063 0.515 1.00 0.00 H new ATOM 1183 N LEU A 77 5.312 5.335 2.439 1.00 0.00 N ATOM 1184 CA LEU A 77 5.594 4.236 3.356 1.00 0.00 C ATOM 1185 C LEU A 77 5.804 4.752 4.776 1.00 0.00 C ATOM 1186 O LEU A 77 5.455 4.083 5.747 1.00 0.00 O ATOM 1187 CB LEU A 77 6.830 3.464 2.893 1.00 0.00 C ATOM 1188 CG LEU A 77 6.859 1.974 3.237 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.931 1.260 2.428 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.092 1.775 4.727 1.00 0.00 C ATOM 0 H LEU A 77 6.096 5.597 1.841 1.00 0.00 H new ATOM 0 HA LEU A 77 4.734 3.566 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.915 3.568 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.712 3.934 3.329 1.00 0.00 H new ATOM 0 HG LEU A 77 5.891 1.543 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.937 0.201 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.720 1.373 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.906 1.694 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.110 0.709 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.045 2.222 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.288 2.252 5.288 1.00 0.00 H new ATOM 1202 N ASN A 78 6.376 5.946 4.887 1.00 0.00 N ATOM 1203 CA ASN A 78 6.632 6.553 6.188 1.00 0.00 C ATOM 1204 C ASN A 78 5.328 6.786 6.945 1.00 0.00 C ATOM 1205 O ASN A 78 5.262 6.600 8.160 1.00 0.00 O ATOM 1206 CB ASN A 78 7.380 7.877 6.019 1.00 0.00 C ATOM 1207 CG ASN A 78 8.885 7.700 6.062 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.394 6.764 6.680 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.606 8.600 5.403 1.00 0.00 N ATOM 0 H ASN A 78 6.671 6.513 4.092 1.00 0.00 H new ATOM 0 HA ASN A 78 7.250 5.866 6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.097 8.332 5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.075 8.566 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.624 8.532 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.142 9.359 4.904 1.00 0.00 H new ATOM 1216 N GLU A 79 4.292 7.195 6.218 1.00 0.00 N ATOM 1217 CA GLU A 79 2.991 7.453 6.822 1.00 0.00 C ATOM 1218 C GLU A 79 2.267 6.147 7.136 1.00 0.00 C ATOM 1219 O GLU A 79 1.564 6.039 8.140 1.00 0.00 O ATOM 1220 CB GLU A 79 2.133 8.313 5.890 1.00 0.00 C ATOM 1221 CG GLU A 79 2.557 9.771 5.847 1.00 0.00 C ATOM 1222 CD GLU A 79 1.403 10.705 5.536 1.00 0.00 C ATOM 1223 OE1 GLU A 79 0.519 10.866 6.404 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.384 11.274 4.425 1.00 0.00 O ATOM 0 H GLU A 79 4.329 7.354 5.211 1.00 0.00 H new ATOM 0 HA GLU A 79 3.153 7.991 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.180 7.900 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.093 8.255 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.994 10.047 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.335 9.897 5.094 1.00 0.00 H new ATOM 1231 N GLY A 80 2.444 5.155 6.267 1.00 0.00 N ATOM 1232 CA GLY A 80 1.802 3.870 6.468 1.00 0.00 C ATOM 1233 C GLY A 80 1.124 3.358 5.213 1.00 0.00 C ATOM 1234 O GLY A 80 0.779 2.180 5.122 1.00 0.00 O ATOM 0 H GLY A 80 3.021 5.219 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.545 3.144 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.065 3.957 7.266 1.00 0.00 H new ATOM 1238 N TYR A 81 0.930 4.245 4.244 1.00 0.00 N ATOM 1239 CA TYR A 81 0.285 3.878 2.989 1.00 0.00 C ATOM 1240 C TYR A 81 0.907 2.613 2.406 1.00 0.00 C ATOM 1241 O TYR A 81 0.216 1.784 1.812 1.00 0.00 O ATOM 1242 CB TYR A 81 0.392 5.024 1.981 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.349 6.272 2.403 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.737 6.296 2.454 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.339 7.429 2.748 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.419 7.435 2.837 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.334 8.572 3.135 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.713 8.570 3.177 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.387 9.707 3.560 1.00 0.00 O ATOM 0 H TYR A 81 1.210 5.224 4.303 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.767 3.682 3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.444 5.269 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.004 4.688 1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.293 5.409 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.418 7.435 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.498 7.437 2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.216 9.462 3.403 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.742 10.415 3.767 1.00 0.00 H new ATOM 1259 N LEU A 82 2.216 2.471 2.581 1.00 0.00 N ATOM 1260 CA LEU A 82 2.934 1.306 2.074 1.00 0.00 C ATOM 1261 C LEU A 82 3.627 0.558 3.208 1.00 0.00 C ATOM 1262 O LEU A 82 4.090 1.165 4.173 1.00 0.00 O ATOM 1263 CB LEU A 82 3.962 1.734 1.025 1.00 0.00 C ATOM 1264 CG LEU A 82 3.397 2.303 -0.276 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.427 3.184 -0.965 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.951 1.179 -1.200 1.00 0.00 C ATOM 0 H LEU A 82 2.802 3.148 3.070 1.00 0.00 H new ATOM 0 HA LEU A 82 2.210 0.635 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.617 2.483 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.583 0.872 0.781 1.00 0.00 H new ATOM 0 HG LEU A 82 2.528 2.915 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.007 3.580 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.698 4.009 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.315 2.595 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.551 1.602 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.803 0.540 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.179 0.588 -0.708 1.00 0.00 H new ATOM 1278 N GLN A 83 3.697 -0.764 3.082 1.00 0.00 N ATOM 1279 CA GLN A 83 4.336 -1.594 4.095 1.00 0.00 C ATOM 1280 C GLN A 83 5.380 -2.512 3.468 1.00 0.00 C ATOM 1281 O GLN A 83 5.177 -3.083 2.396 1.00 0.00 O ATOM 1282 CB GLN A 83 3.289 -2.426 4.837 1.00 0.00 C ATOM 1283 CG GLN A 83 2.193 -1.592 5.481 1.00 0.00 C ATOM 1284 CD GLN A 83 2.654 -0.904 6.752 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.118 -1.553 7.689 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.528 0.417 6.789 1.00 0.00 N ATOM 0 H GLN A 83 3.319 -1.282 2.289 1.00 0.00 H new ATOM 0 HA GLN A 83 4.837 -0.936 4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.836 -3.130 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.785 -3.016 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.848 -0.841 4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.340 -2.232 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.138 0.915 5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.821 0.934 7.618 1.00 0.00 H new ATOM 1295 N PRO A 84 6.526 -2.659 4.150 1.00 0.00 N ATOM 1296 CA PRO A 84 7.625 -3.507 3.679 1.00 0.00 C ATOM 1297 C PRO A 84 7.281 -4.991 3.744 1.00 0.00 C ATOM 1298 O PRO A 84 6.636 -5.447 4.688 1.00 0.00 O ATOM 1299 CB PRO A 84 8.766 -3.179 4.645 1.00 0.00 C ATOM 1300 CG PRO A 84 8.088 -2.710 5.886 1.00 0.00 C ATOM 1301 CD PRO A 84 6.836 -2.009 5.435 1.00 0.00 C ATOM 0 HA PRO A 84 7.867 -3.317 2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.385 -4.055 4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.421 -2.410 4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.851 -3.548 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.731 -2.035 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.026 -2.132 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.996 -0.938 5.315 1.00 0.00 H new ATOM 1309 N ALA A 85 7.717 -5.740 2.736 1.00 0.00 N ATOM 1310 CA ALA A 85 7.457 -7.173 2.681 1.00 0.00 C ATOM 1311 C ALA A 85 8.717 -7.945 2.302 1.00 0.00 C ATOM 1312 O ALA A 85 8.997 -8.154 1.123 1.00 0.00 O ATOM 1313 CB ALA A 85 6.338 -7.469 1.695 1.00 0.00 C ATOM 0 H ALA A 85 8.252 -5.378 1.947 1.00 0.00 H new ATOM 0 HA ALA A 85 7.147 -7.499 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.155 -8.543 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.430 -6.955 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.626 -7.122 0.703 1.00 0.00 H new ATOM 1319 N GLY A 86 9.474 -8.365 3.311 1.00 0.00 N ATOM 1320 CA GLY A 86 10.695 -9.108 3.063 1.00 0.00 C ATOM 1321 C GLY A 86 11.888 -8.527 3.796 1.00 0.00 C ATOM 1322 O GLY A 86 11.968 -7.315 4.001 1.00 0.00 O ATOM 0 H GLY A 86 9.263 -8.204 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.554 -10.145 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.900 -9.117 1.992 1.00 0.00 H new ATOM 1326 N ASP A 87 12.815 -9.391 4.193 1.00 0.00 N ATOM 1327 CA ASP A 87 14.009 -8.956 4.909 1.00 0.00 C ATOM 1328 C ASP A 87 14.676 -7.786 4.192 1.00 0.00 C ATOM 1329 O ASP A 87 15.145 -6.842 4.828 1.00 0.00 O ATOM 1330 CB ASP A 87 14.997 -10.115 5.047 1.00 0.00 C ATOM 1331 CG ASP A 87 16.003 -9.889 6.159 1.00 0.00 C ATOM 1332 OD1 ASP A 87 15.578 -9.761 7.327 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.214 -9.840 5.861 1.00 0.00 O ATOM 0 H ASP A 87 12.763 -10.397 4.031 1.00 0.00 H new ATOM 0 HA ASP A 87 13.707 -8.626 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.447 -11.036 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.527 -10.251 4.104 1.00 0.00 H new ATOM 1338 N MET A 88 14.715 -7.856 2.866 1.00 0.00 N ATOM 1339 CA MET A 88 15.325 -6.802 2.063 1.00 0.00 C ATOM 1340 C MET A 88 14.879 -5.425 2.545 1.00 0.00 C ATOM 1341 O MET A 88 15.666 -4.673 3.120 1.00 0.00 O ATOM 1342 CB MET A 88 14.963 -6.981 0.587 1.00 0.00 C ATOM 1343 CG MET A 88 15.709 -6.036 -0.341 1.00 0.00 C ATOM 1344 SD MET A 88 15.308 -6.308 -2.077 1.00 0.00 S ATOM 1345 CE MET A 88 16.258 -5.002 -2.852 1.00 0.00 C ATOM 0 H MET A 88 14.332 -8.631 2.325 1.00 0.00 H new ATOM 0 HA MET A 88 16.407 -6.874 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.174 -8.009 0.292 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.891 -6.828 0.463 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.470 -5.007 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.782 -6.162 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.593 -4.186 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.009 -4.634 -2.153 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.752 -5.391 -3.743 1.00 0.00 H new ATOM 1355 N SER A 89 13.613 -5.100 2.305 1.00 0.00 N ATOM 1356 CA SER A 89 13.064 -3.812 2.711 1.00 0.00 C ATOM 1357 C SER A 89 13.065 -3.675 4.230 1.00 0.00 C ATOM 1358 O SER A 89 13.487 -2.655 4.774 1.00 0.00 O ATOM 1359 CB SER A 89 11.641 -3.647 2.173 1.00 0.00 C ATOM 1360 OG SER A 89 10.892 -4.839 2.339 1.00 0.00 O ATOM 0 H SER A 89 12.948 -5.711 1.831 1.00 0.00 H new ATOM 0 HA SER A 89 13.696 -3.028 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.145 -2.827 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.677 -3.380 1.117 1.00 0.00 H new ATOM 0 HG SER A 89 10.224 -4.907 1.625 1.00 0.00 H new ATOM 1366 N LYS A 90 12.588 -4.712 4.911 1.00 0.00 N ATOM 1367 CA LYS A 90 12.534 -4.711 6.368 1.00 0.00 C ATOM 1368 C LYS A 90 13.833 -4.175 6.961 1.00 0.00 C ATOM 1369 O LYS A 90 13.828 -3.532 8.011 1.00 0.00 O ATOM 1370 CB LYS A 90 12.268 -6.125 6.890 1.00 0.00 C ATOM 1371 CG LYS A 90 10.792 -6.465 7.002 1.00 0.00 C ATOM 1372 CD LYS A 90 10.575 -7.772 7.747 1.00 0.00 C ATOM 1373 CE LYS A 90 9.199 -8.353 7.463 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.175 -7.847 8.419 1.00 0.00 N ATOM 0 H LYS A 90 12.233 -5.564 4.477 1.00 0.00 H new ATOM 0 HA LYS A 90 11.718 -4.057 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.748 -6.844 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.733 -6.235 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.271 -5.660 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.358 -6.537 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.342 -8.490 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.686 -7.604 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.901 -8.101 6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.245 -9.440 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.251 -8.266 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.445 -8.109 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.113 -6.811 8.345 1.00 0.00 H new ATOM 1388 N SER A 91 14.943 -4.443 6.281 1.00 0.00 N ATOM 1389 CA SER A 91 16.250 -3.989 6.742 1.00 0.00 C ATOM 1390 C SER A 91 16.442 -2.503 6.454 1.00 0.00 C ATOM 1391 O SER A 91 17.092 -1.790 7.218 1.00 0.00 O ATOM 1392 CB SER A 91 17.361 -4.798 6.070 1.00 0.00 C ATOM 1393 OG SER A 91 18.633 -4.436 6.577 1.00 0.00 O ATOM 0 H SER A 91 14.964 -4.972 5.409 1.00 0.00 H new ATOM 0 HA SER A 91 16.300 -4.142 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.190 -5.862 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.335 -4.633 4.993 1.00 0.00 H new ATOM 0 HG SER A 91 19.326 -4.968 6.133 1.00 0.00 H new ATOM 1399 N ALA A 92 15.871 -2.043 5.345 1.00 0.00 N ATOM 1400 CA ALA A 92 15.976 -0.643 4.956 1.00 0.00 C ATOM 1401 C ALA A 92 15.083 0.237 5.824 1.00 0.00 C ATOM 1402 O ALA A 92 15.474 1.334 6.222 1.00 0.00 O ATOM 1403 CB ALA A 92 15.619 -0.475 3.487 1.00 0.00 C ATOM 0 H ALA A 92 15.331 -2.620 4.701 1.00 0.00 H new ATOM 0 HA ALA A 92 17.008 -0.327 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.702 0.576 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.302 -1.066 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.597 -0.815 3.320 1.00 0.00 H new ATOM 1409 N VAL A 93 13.881 -0.251 6.113 1.00 0.00 N ATOM 1410 CA VAL A 93 12.932 0.492 6.934 1.00 0.00 C ATOM 1411 C VAL A 93 13.398 0.564 8.383 1.00 0.00 C ATOM 1412 O VAL A 93 13.239 1.589 9.047 1.00 0.00 O ATOM 1413 CB VAL A 93 11.531 -0.147 6.888 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.000 -0.170 5.463 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.566 -1.550 7.475 1.00 0.00 C ATOM 0 H VAL A 93 13.541 -1.157 5.791 1.00 0.00 H new ATOM 0 HA VAL A 93 12.878 1.500 6.522 1.00 0.00 H new ATOM 0 HB VAL A 93 10.855 0.459 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.010 -0.625 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.936 0.849 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.674 -0.751 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.568 -1.986 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.256 -2.168 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.899 -1.502 8.512 1.00 0.00 H new ATOM 1425 N ASP A 94 13.975 -0.530 8.869 1.00 0.00 N ATOM 1426 CA ASP A 94 14.466 -0.591 10.240 1.00 0.00 C ATOM 1427 C ASP A 94 15.988 -0.481 10.277 1.00 0.00 C ATOM 1428 O ASP A 94 16.658 -1.241 10.974 1.00 0.00 O ATOM 1429 CB ASP A 94 14.020 -1.892 10.908 1.00 0.00 C ATOM 1430 CG ASP A 94 12.511 -2.042 10.933 1.00 0.00 C ATOM 1431 OD1 ASP A 94 11.830 -1.098 11.384 1.00 0.00 O ATOM 1432 OD2 ASP A 94 12.013 -3.104 10.504 1.00 0.00 O ATOM 0 H ASP A 94 14.114 -1.387 8.333 1.00 0.00 H new ATOM 0 HA ASP A 94 14.045 0.252 10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.458 -2.738 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.402 -1.923 11.928 1.00 0.00 H new ATOM 1483 N ASN A 99 16.049 6.860 3.264 1.00 0.00 N ATOM 1484 CA ASN A 99 14.805 6.425 2.640 1.00 0.00 C ATOM 1485 C ASN A 99 14.568 4.937 2.876 1.00 0.00 C ATOM 1486 O ASN A 99 15.330 4.082 2.424 1.00 0.00 O ATOM 1487 CB ASN A 99 14.834 6.717 1.138 1.00 0.00 C ATOM 1488 CG ASN A 99 16.229 6.602 0.554 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.720 7.692 -0.022 1.00 0.00 O flip ATOM 1490 ND2 ASN A 99 16.856 5.545 0.620 1.00 0.00 N flip ATOM 0 HA ASN A 99 13.986 6.981 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.169 6.024 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.449 7.721 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.439 4.732 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.793 5.482 0.222 1.00 0.00 H new ATOM 1497 N PRO A 100 13.485 4.618 3.601 1.00 0.00 N ATOM 1498 CA PRO A 100 13.122 3.232 3.913 1.00 0.00 C ATOM 1499 C PRO A 100 12.645 2.467 2.683 1.00 0.00 C ATOM 1500 O PRO A 100 12.407 1.261 2.744 1.00 0.00 O ATOM 1501 CB PRO A 100 11.982 3.383 4.924 1.00 0.00 C ATOM 1502 CG PRO A 100 11.392 4.720 4.632 1.00 0.00 C ATOM 1503 CD PRO A 100 12.532 5.585 4.171 1.00 0.00 C ATOM 0 HA PRO A 100 13.972 2.663 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.243 2.590 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.351 3.328 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.622 4.647 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.918 5.140 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.208 6.315 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.972 6.144 4.997 1.00 0.00 H new ATOM 1511 N PHE A 101 12.509 3.176 1.567 1.00 0.00 N ATOM 1512 CA PHE A 101 12.060 2.563 0.323 1.00 0.00 C ATOM 1513 C PHE A 101 13.248 2.174 -0.552 1.00 0.00 C ATOM 1514 O PHE A 101 14.346 2.712 -0.402 1.00 0.00 O ATOM 1515 CB PHE A 101 11.142 3.520 -0.440 1.00 0.00 C ATOM 1516 CG PHE A 101 10.310 2.843 -1.492 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.835 2.583 -2.748 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.004 2.467 -1.225 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.072 1.961 -3.717 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.236 1.844 -2.191 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.771 1.589 -3.438 1.00 0.00 C ATOM 0 H PHE A 101 12.703 4.175 1.499 1.00 0.00 H new ATOM 0 HA PHE A 101 11.504 1.659 0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.481 4.019 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 101 11.748 4.294 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.852 2.870 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.581 2.663 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.492 1.766 -4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.218 1.557 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.174 1.100 -4.193 1.00 0.00 H new ATOM 1531 N LEU A 102 13.021 1.237 -1.466 1.00 0.00 N ATOM 1532 CA LEU A 102 14.073 0.775 -2.366 1.00 0.00 C ATOM 1533 C LEU A 102 13.553 0.655 -3.794 1.00 0.00 C ATOM 1534 O LEU A 102 12.661 -0.145 -4.076 1.00 0.00 O ATOM 1535 CB LEU A 102 14.618 -0.574 -1.894 1.00 0.00 C ATOM 1536 CG LEU A 102 14.946 -0.682 -0.405 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.812 -2.121 0.068 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.347 -0.156 -0.128 1.00 0.00 C ATOM 0 H LEU A 102 12.118 0.782 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 102 14.878 1.510 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.888 -1.345 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.522 -0.797 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 102 14.234 -0.071 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.049 -2.178 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.790 -2.464 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.500 -2.754 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.563 -0.241 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.073 -0.740 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.409 0.890 -0.429 1.00 0.00 H new ATOM 1550 N ASP A 103 14.118 1.454 -4.693 1.00 0.00 N ATOM 1551 CA ASP A 103 13.714 1.435 -6.094 1.00 0.00 C ATOM 1552 C ASP A 103 14.270 0.205 -6.804 1.00 0.00 C ATOM 1553 O ASP A 103 14.792 0.299 -7.914 1.00 0.00 O ATOM 1554 CB ASP A 103 14.190 2.705 -6.801 1.00 0.00 C ATOM 1555 CG ASP A 103 13.950 2.659 -8.298 1.00 0.00 C ATOM 1556 OD1 ASP A 103 12.950 2.041 -8.720 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.763 3.241 -9.046 1.00 0.00 O ATOM 0 H ASP A 103 14.857 2.123 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 103 12.625 1.393 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.673 3.567 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.254 2.846 -6.611 1.00 0.00 H new ATOM 1562 N ASN A 104 14.155 -0.949 -6.154 1.00 0.00 N ATOM 1563 CA ASN A 104 14.648 -2.199 -6.722 1.00 0.00 C ATOM 1564 C ASN A 104 13.492 -3.135 -7.062 1.00 0.00 C ATOM 1565 O ASN A 104 12.465 -3.164 -6.385 1.00 0.00 O ATOM 1566 CB ASN A 104 15.604 -2.885 -5.744 1.00 0.00 C ATOM 1567 CG ASN A 104 17.058 -2.569 -6.040 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.428 -2.310 -7.185 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.890 -2.590 -5.005 1.00 0.00 N ATOM 0 H ASN A 104 13.725 -1.044 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 104 15.185 -1.965 -7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.366 -2.571 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.453 -3.964 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.880 -2.386 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.539 -2.810 -4.073 1.00 0.00 H new ATOM 1576 N PRO A 105 13.663 -3.919 -8.137 1.00 0.00 N ATOM 1577 CA PRO A 105 12.645 -4.872 -8.591 1.00 0.00 C ATOM 1578 C PRO A 105 12.486 -6.049 -7.635 1.00 0.00 C ATOM 1579 O PRO A 105 11.639 -6.919 -7.842 1.00 0.00 O ATOM 1580 CB PRO A 105 13.184 -5.349 -9.942 1.00 0.00 C ATOM 1581 CG PRO A 105 14.658 -5.152 -9.853 1.00 0.00 C ATOM 1582 CD PRO A 105 14.862 -3.937 -8.991 1.00 0.00 C ATOM 0 HA PRO A 105 11.656 -4.417 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.935 -6.395 -10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.757 -4.774 -10.764 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.143 -6.026 -9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.093 -5.006 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.775 -4.012 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.943 -3.029 -9.589 1.00 0.00 H new ATOM 1590 N ASP A 106 13.304 -6.070 -6.589 1.00 0.00 N ATOM 1591 CA ASP A 106 13.252 -7.141 -5.600 1.00 0.00 C ATOM 1592 C ASP A 106 12.459 -6.707 -4.371 1.00 0.00 C ATOM 1593 O ASP A 106 11.714 -7.496 -3.790 1.00 0.00 O ATOM 1594 CB ASP A 106 14.666 -7.554 -5.190 1.00 0.00 C ATOM 1595 CG ASP A 106 14.678 -8.801 -4.328 1.00 0.00 C ATOM 1596 OD1 ASP A 106 13.887 -8.864 -3.363 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.478 -9.715 -4.619 1.00 0.00 O ATOM 0 H ASP A 106 14.011 -5.358 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 106 12.749 -7.996 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.264 -7.728 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.137 -6.735 -4.646 1.00 0.00 H new ATOM 1602 N ALA A 107 12.627 -5.448 -3.979 1.00 0.00 N ATOM 1603 CA ALA A 107 11.926 -4.910 -2.819 1.00 0.00 C ATOM 1604 C ALA A 107 10.419 -4.887 -3.050 1.00 0.00 C ATOM 1605 O ALA A 107 9.929 -4.204 -3.950 1.00 0.00 O ATOM 1606 CB ALA A 107 12.434 -3.512 -2.498 1.00 0.00 C ATOM 0 H ALA A 107 13.242 -4.782 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 107 12.127 -5.562 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.902 -3.122 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.501 -3.554 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.263 -2.857 -3.353 1.00 0.00 H new ATOM 1612 N PHE A 108 9.688 -5.637 -2.232 1.00 0.00 N ATOM 1613 CA PHE A 108 8.236 -5.704 -2.349 1.00 0.00 C ATOM 1614 C PHE A 108 7.568 -4.721 -1.392 1.00 0.00 C ATOM 1615 O PHE A 108 8.178 -4.269 -0.422 1.00 0.00 O ATOM 1616 CB PHE A 108 7.745 -7.124 -2.064 1.00 0.00 C ATOM 1617 CG PHE A 108 8.603 -8.191 -2.683 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.992 -8.101 -4.010 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.019 -9.283 -1.939 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.782 -9.080 -4.583 1.00 0.00 C ATOM 1621 CE2 PHE A 108 9.808 -10.265 -2.506 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.189 -10.164 -3.830 1.00 0.00 C ATOM 0 H PHE A 108 10.077 -6.207 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 108 7.966 -5.432 -3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.709 -7.278 -0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.725 -7.229 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.674 -7.256 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.723 -9.368 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.080 -8.997 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.127 -11.111 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.804 -10.932 -4.276 1.00 0.00 H new ATOM 1632 N TYR A 109 6.311 -4.394 -1.672 1.00 0.00 N ATOM 1633 CA TYR A 109 5.560 -3.462 -0.839 1.00 0.00 C ATOM 1634 C TYR A 109 4.060 -3.608 -1.074 1.00 0.00 C ATOM 1635 O TYR A 109 3.591 -3.559 -2.211 1.00 0.00 O ATOM 1636 CB TYR A 109 5.995 -2.024 -1.126 1.00 0.00 C ATOM 1637 CG TYR A 109 7.473 -1.784 -0.915 1.00 0.00 C ATOM 1638 CD1 TYR A 109 8.017 -1.752 0.363 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.326 -1.592 -1.995 1.00 0.00 C ATOM 1640 CE1 TYR A 109 9.366 -1.532 0.560 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.678 -1.374 -1.807 1.00 0.00 C ATOM 1642 CZ TYR A 109 10.193 -1.344 -0.528 1.00 0.00 C ATOM 1643 OH TYR A 109 11.538 -1.127 -0.336 1.00 0.00 O ATOM 0 H TYR A 109 5.791 -4.760 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 109 5.770 -3.697 0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.738 -1.775 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.431 -1.348 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.374 -1.902 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.926 -1.613 -2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.771 -1.507 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.328 -1.228 -2.657 1.00 0.00 H new ATOM 0 HH TYR A 109 11.737 -1.138 0.623 1.00 0.00 H new ATOM 1653 N TYR A 110 3.313 -3.788 0.009 1.00 0.00 N ATOM 1654 CA TYR A 110 1.866 -3.943 -0.078 1.00 0.00 C ATOM 1655 C TYR A 110 1.151 -2.787 0.615 1.00 0.00 C ATOM 1656 O TYR A 110 1.778 -1.966 1.285 1.00 0.00 O ATOM 1657 CB TYR A 110 1.436 -5.271 0.548 1.00 0.00 C ATOM 1658 CG TYR A 110 1.791 -5.394 2.013 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.921 -4.943 2.998 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.995 -5.959 2.411 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.241 -5.052 4.337 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.323 -6.074 3.748 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.443 -5.618 4.707 1.00 0.00 C ATOM 1664 OH TYR A 110 2.766 -5.729 6.040 1.00 0.00 O ATOM 0 H TYR A 110 3.685 -3.830 0.958 1.00 0.00 H new ATOM 0 HA TYR A 110 1.589 -3.938 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.358 -5.385 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.903 -6.089 -0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.021 -4.500 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.687 -6.315 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.554 -4.696 5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.263 -6.518 4.041 1.00 0.00 H new ATOM 0 HH TYR A 110 3.646 -6.151 6.129 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.166 -2.730 0.450 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.968 -1.675 1.058 1.00 0.00 C ATOM 1676 C PHE A 111 -1.633 -2.168 2.340 1.00 0.00 C ATOM 1677 O PHE A 111 -2.019 -3.331 2.462 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.032 -1.183 0.075 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.460 -0.556 -1.164 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.492 0.431 -1.073 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.889 -0.955 -2.420 1.00 0.00 C ATOM 1682 CE1 PHE A 111 0.036 1.009 -2.212 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.365 -0.380 -3.562 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.400 0.602 -3.458 1.00 0.00 C ATOM 0 H PHE A 111 -0.701 -3.402 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.304 -0.847 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.666 -2.022 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.672 -0.457 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.146 0.752 -0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.642 -1.724 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.789 1.779 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.710 -0.698 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.013 1.051 -4.349 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.770 -1.263 3.321 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.387 -1.582 4.611 1.00 0.00 C ATOM 1696 C PRO A 112 -3.888 -1.824 4.492 1.00 0.00 C ATOM 1697 O PRO A 112 -4.530 -2.283 5.437 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.112 -0.334 5.454 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.956 0.766 4.462 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.332 0.141 3.245 1.00 0.00 C ATOM 0 HA PRO A 112 -1.984 -2.500 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.933 -0.133 6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.212 -0.454 6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.920 1.213 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.326 1.562 4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.674 0.620 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.245 0.225 3.263 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.442 -1.513 3.325 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.868 -1.698 3.082 1.00 0.00 C ATOM 1710 C ASP A 113 -6.134 -3.042 2.411 1.00 0.00 C ATOM 1711 O ASP A 113 -7.057 -3.763 2.790 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.410 -0.563 2.211 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.904 -0.368 2.378 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.326 0.069 3.469 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.651 -0.652 1.419 1.00 0.00 O ATOM 0 H ASP A 113 -3.925 -1.132 2.533 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.381 -1.684 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.895 0.364 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.189 -0.774 1.165 1.00 0.00 H new ATOM 1720 N SER A 114 -5.320 -3.372 1.414 1.00 0.00 N ATOM 1721 CA SER A 114 -5.471 -4.628 0.688 1.00 0.00 C ATOM 1722 C SER A 114 -5.521 -5.810 1.651 1.00 0.00 C ATOM 1723 O SER A 114 -6.529 -6.510 1.740 1.00 0.00 O ATOM 1724 CB SER A 114 -4.319 -4.810 -0.302 1.00 0.00 C ATOM 1725 OG SER A 114 -4.647 -5.765 -1.296 1.00 0.00 O ATOM 0 H SER A 114 -4.549 -2.788 1.090 1.00 0.00 H new ATOM 0 HA SER A 114 -6.411 -4.591 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.086 -3.855 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.424 -5.129 0.232 1.00 0.00 H new ATOM 0 HG SER A 114 -3.895 -5.862 -1.917 1.00 0.00 H new ATOM 1731 N GLY A 115 -4.424 -6.026 2.371 1.00 0.00 N ATOM 1732 CA GLY A 115 -4.363 -7.123 3.318 1.00 0.00 C ATOM 1733 C GLY A 115 -3.367 -8.189 2.906 1.00 0.00 C ATOM 1734 O GLY A 115 -3.737 -9.341 2.681 1.00 0.00 O ATOM 0 H GLY A 115 -3.577 -5.461 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.091 -6.736 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.352 -7.572 3.414 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.099 -7.805 2.807 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.046 -8.736 2.417 1.00 0.00 C ATOM 1740 C PHE A 116 -1.065 -9.980 3.300 1.00 0.00 C ATOM 1741 O PHE A 116 -1.501 -9.931 4.450 1.00 0.00 O ATOM 1742 CB PHE A 116 0.322 -8.056 2.503 1.00 0.00 C ATOM 1743 CG PHE A 116 1.470 -9.024 2.542 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.985 -9.557 1.371 1.00 0.00 C ATOM 1745 CD2 PHE A 116 2.036 -9.400 3.749 1.00 0.00 C ATOM 1746 CE1 PHE A 116 3.040 -10.448 1.404 1.00 0.00 C ATOM 1747 CE2 PHE A 116 3.092 -10.290 3.789 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.596 -10.814 2.615 1.00 0.00 C ATOM 0 H PHE A 116 -1.775 -6.855 2.991 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.228 -9.041 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 116 0.444 -7.394 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 116 0.353 -7.431 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.556 -9.272 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.647 -8.992 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.430 -10.858 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.523 -10.576 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.423 -11.508 2.643 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.590 -11.093 2.753 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.553 -12.351 3.490 1.00 0.00 C ATOM 1760 C PHE A 117 0.427 -13.329 2.848 1.00 0.00 C ATOM 1761 O PHE A 117 0.320 -13.643 1.662 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.950 -12.974 3.547 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.341 -13.685 2.283 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.872 -14.962 2.017 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.178 -13.077 1.361 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.230 -15.617 0.854 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.540 -13.728 0.197 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.066 -15.001 -0.056 1.00 0.00 C ATOM 0 H PHE A 117 -0.225 -11.150 1.802 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.215 -12.139 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.992 -13.678 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.680 -12.192 3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.220 -15.450 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.552 -12.082 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.856 -16.611 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.192 -13.243 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.349 -15.513 -0.964 1.00 0.00 H new ATOM 1778 N CYS A 118 1.380 -13.807 3.640 1.00 0.00 N ATOM 1779 CA CYS A 118 2.381 -14.749 3.149 1.00 0.00 C ATOM 1780 C CYS A 118 2.052 -16.171 3.593 1.00 0.00 C ATOM 1781 O CYS A 118 1.989 -16.459 4.787 1.00 0.00 O ATOM 1782 CB CYS A 118 3.771 -14.354 3.649 1.00 0.00 C ATOM 1783 SG CYS A 118 3.926 -14.321 5.451 1.00 0.00 S ATOM 0 H CYS A 118 1.481 -13.559 4.624 1.00 0.00 H new ATOM 0 HA CYS A 118 2.372 -14.717 2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.503 -15.053 3.245 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.020 -13.369 3.255 1.00 0.00 H new ATOM 0 HG CYS A 118 3.108 -15.187 5.973 1.00 0.00 H new ATOM 1789 N GLU A 119 1.842 -17.054 2.621 1.00 0.00 N ATOM 1790 CA GLU A 119 1.518 -18.446 2.913 1.00 0.00 C ATOM 1791 C GLU A 119 2.721 -19.349 2.661 1.00 0.00 C ATOM 1792 O GLU A 119 3.275 -19.371 1.562 1.00 0.00 O ATOM 1793 CB GLU A 119 0.334 -18.905 2.060 1.00 0.00 C ATOM 1794 CG GLU A 119 0.518 -18.649 0.573 1.00 0.00 C ATOM 1795 CD GLU A 119 -0.645 -19.159 -0.256 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.954 -20.365 -0.164 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -1.245 -18.352 -0.996 1.00 0.00 O ATOM 0 H GLU A 119 1.890 -16.831 1.627 1.00 0.00 H new ATOM 0 HA GLU A 119 1.248 -18.517 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.174 -19.971 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.567 -18.394 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.637 -17.579 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.437 -19.129 0.237 1.00 0.00 H new