USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 824 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 66 ASN : amide:sc= -4.23! K(o=-6!,f=-3.3) USER MOD Set 1.2: A 85 SER OG : rot 74:sc= -1.79! USER MOD Set 2.1: A 18 LYS NZ :NH3+ -177:sc= 0.0672 (180deg=-0.0761) USER MOD Set 2.2: A 90 THR OG1 : rot -156:sc= 0.111 USER MOD Single : A 11 THR OG1 : rot 25:sc= 0.233 USER MOD Single : A 13 ASN : amide:sc= -0.117 K(o=-0.12,f=-4.5!) USER MOD Single : A 17 CYS SG : rot 180:sc= -4.06 USER MOD Single : A 20 SER OG : rot 28:sc= 0.31 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0746) USER MOD Single : A 22 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.035) USER MOD Single : A 25 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.5) USER MOD Single : A 26 ASN : amide:sc= -0.628 K(o=-0.63,f=-3.2!) USER MOD Single : A 27 TYR OH : rot 18:sc= 1.08 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.0358 USER MOD Single : A 40 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-4.6!) USER MOD Single : A 49 SER OG : rot -110:sc= 0.0201 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc=-0.00819 (180deg=-0.127) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.843 K(o=-0.84,f=-5!) USER MOD Single : A 77 GLN : amide:sc= -0.845 X(o=-0.84,f=-0.84) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.00207 X(o=0.0021,f=-0.0012) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 1:sc= 1.22 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc=-0.00759 (180deg=-0.134) USER MOD Single : A 105 ASN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.215 -12.049 8.706 1.00 0.00 N ATOM 105 CA THR A 11 -10.099 -10.759 8.037 1.00 0.00 C ATOM 106 C THR A 11 -9.212 -9.806 8.830 1.00 0.00 C ATOM 107 O THR A 11 -9.415 -9.605 10.028 1.00 0.00 O ATOM 108 CB THR A 11 -11.479 -10.107 7.832 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.111 -9.888 9.098 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.368 -10.983 6.961 1.00 0.00 C ATOM 0 HA THR A 11 -9.646 -10.947 7.064 1.00 0.00 H new ATOM 0 HB THR A 11 -11.333 -9.151 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.427 -9.811 9.796 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.337 -10.502 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.898 -11.124 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.506 -11.952 7.441 1.00 0.00 H new ATOM 118 N PHE A 12 -8.228 -9.221 8.155 1.00 0.00 N ATOM 119 CA PHE A 12 -7.310 -8.288 8.798 1.00 0.00 C ATOM 120 C PHE A 12 -7.820 -6.855 8.680 1.00 0.00 C ATOM 121 O PHE A 12 -8.605 -6.535 7.789 1.00 0.00 O ATOM 122 CB PHE A 12 -5.917 -8.399 8.173 1.00 0.00 C ATOM 123 CG PHE A 12 -5.229 -9.700 8.471 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.604 -10.863 7.817 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.206 -9.761 9.403 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.972 -12.062 8.090 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.570 -10.956 9.680 1.00 0.00 C ATOM 128 CZ PHE A 12 -3.954 -12.108 9.021 1.00 0.00 C ATOM 0 H PHE A 12 -8.046 -9.376 7.163 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.249 -8.547 9.855 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.002 -8.281 7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.298 -7.578 8.536 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.399 -10.832 7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.902 -8.863 9.920 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.275 -12.962 7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.775 -10.989 10.410 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.458 -13.043 9.234 1.00 0.00 H new ATOM 138 N ASN A 13 -7.367 -5.996 9.588 1.00 0.00 N ATOM 139 CA ASN A 13 -7.778 -4.597 9.588 1.00 0.00 C ATOM 140 C ASN A 13 -6.616 -3.689 9.195 1.00 0.00 C ATOM 141 O ASN A 13 -5.825 -3.253 10.031 1.00 0.00 O ATOM 142 CB ASN A 13 -8.306 -4.198 10.968 1.00 0.00 C ATOM 143 CG ASN A 13 -7.307 -4.482 12.073 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.823 -5.605 12.214 1.00 0.00 O ATOM 145 ND2 ASN A 13 -6.995 -3.462 12.864 1.00 0.00 N ATOM 0 H ASN A 13 -6.716 -6.244 10.333 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.574 -4.479 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.551 -3.136 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.231 -4.738 11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.329 -3.592 13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.421 -2.548 12.710 1.00 0.00 H new ATOM 152 N PRO A 14 -6.510 -3.396 7.890 1.00 0.00 N ATOM 153 CA PRO A 14 -5.449 -2.537 7.355 1.00 0.00 C ATOM 154 C PRO A 14 -5.621 -1.079 7.769 1.00 0.00 C ATOM 155 O PRO A 14 -6.738 -0.616 7.997 1.00 0.00 O ATOM 156 CB PRO A 14 -5.603 -2.685 5.840 1.00 0.00 C ATOM 157 CG PRO A 14 -7.031 -3.058 5.639 1.00 0.00 C ATOM 158 CD PRO A 14 -7.417 -3.881 6.836 1.00 0.00 C ATOM 0 HA PRO A 14 -4.465 -2.824 7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.360 -1.756 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.935 -3.451 5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.658 -2.170 5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.160 -3.625 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.463 -3.732 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.284 -4.947 6.651 1.00 0.00 H new ATOM 166 N ARG A 15 -4.507 -0.361 7.863 1.00 0.00 N ATOM 167 CA ARG A 15 -4.534 1.045 8.249 1.00 0.00 C ATOM 168 C ARG A 15 -4.590 1.946 7.019 1.00 0.00 C ATOM 169 O ARG A 15 -3.775 1.817 6.107 1.00 0.00 O ATOM 170 CB ARG A 15 -3.304 1.388 9.091 1.00 0.00 C ATOM 171 CG ARG A 15 -3.018 2.879 9.171 1.00 0.00 C ATOM 172 CD ARG A 15 -4.039 3.596 10.041 1.00 0.00 C ATOM 173 NE ARG A 15 -4.069 5.032 9.779 1.00 0.00 N ATOM 174 CZ ARG A 15 -5.027 5.840 10.220 1.00 0.00 C ATOM 175 NH1 ARG A 15 -6.028 5.354 10.942 1.00 0.00 N ATOM 176 NH2 ARG A 15 -4.985 7.136 9.940 1.00 0.00 N ATOM 0 H ARG A 15 -3.574 -0.729 7.677 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.432 1.216 8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.444 0.999 10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.434 0.882 8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.018 3.038 9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.028 3.307 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.028 3.174 9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.805 3.424 11.092 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.313 5.437 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.063 4.358 11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.762 5.976 11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.217 7.513 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.721 7.755 10.279 1.00 0.00 H new ATOM 190 N GLU A 16 -5.559 2.857 7.003 1.00 0.00 N ATOM 191 CA GLU A 16 -5.721 3.778 5.884 1.00 0.00 C ATOM 192 C GLU A 16 -4.777 4.969 6.018 1.00 0.00 C ATOM 193 O GLU A 16 -4.535 5.462 7.120 1.00 0.00 O ATOM 194 CB GLU A 16 -7.169 4.267 5.804 1.00 0.00 C ATOM 195 CG GLU A 16 -7.386 5.359 4.769 1.00 0.00 C ATOM 196 CD GLU A 16 -7.135 6.747 5.325 1.00 0.00 C ATOM 197 OE1 GLU A 16 -8.086 7.352 5.861 1.00 0.00 O ATOM 198 OE2 GLU A 16 -5.987 7.228 5.222 1.00 0.00 O ATOM 0 H GLU A 16 -6.242 2.977 7.751 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.474 3.243 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.817 3.422 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.472 4.640 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.724 5.187 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.408 5.301 4.394 1.00 0.00 H new ATOM 205 N CYS A 17 -4.245 5.425 4.889 1.00 0.00 N ATOM 206 CA CYS A 17 -3.326 6.557 4.880 1.00 0.00 C ATOM 207 C CYS A 17 -3.627 7.492 3.713 1.00 0.00 C ATOM 208 O CYS A 17 -3.473 7.120 2.549 1.00 0.00 O ATOM 209 CB CYS A 17 -1.880 6.066 4.796 1.00 0.00 C ATOM 210 SG CYS A 17 -0.664 7.385 4.570 1.00 0.00 S ATOM 0 H CYS A 17 -4.434 5.028 3.969 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.461 7.110 5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.640 5.518 5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.794 5.362 3.968 1.00 0.00 H new ATOM 0 HG CYS A 17 0.529 6.871 4.513 1.00 0.00 H new ATOM 216 N LYS A 18 -4.059 8.707 4.031 1.00 0.00 N ATOM 217 CA LYS A 18 -4.382 9.697 3.011 1.00 0.00 C ATOM 218 C LYS A 18 -3.247 10.702 2.848 1.00 0.00 C ATOM 219 O LYS A 18 -2.792 11.304 3.822 1.00 0.00 O ATOM 220 CB LYS A 18 -5.677 10.428 3.372 1.00 0.00 C ATOM 221 CG LYS A 18 -6.930 9.605 3.125 1.00 0.00 C ATOM 222 CD LYS A 18 -8.184 10.459 3.208 1.00 0.00 C ATOM 223 CE LYS A 18 -9.428 9.658 2.857 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.480 9.319 1.408 1.00 0.00 N ATOM 0 H LYS A 18 -4.194 9.030 4.989 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.519 9.174 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.642 10.714 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.738 11.349 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.871 9.138 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.988 8.800 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.283 10.865 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.093 11.308 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.447 8.741 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.316 10.229 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.367 8.817 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.436 10.193 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.673 8.710 1.165 1.00 0.00 H new ATOM 238 N LEU A 19 -2.794 10.881 1.612 1.00 0.00 N ATOM 239 CA LEU A 19 -1.712 11.816 1.322 1.00 0.00 C ATOM 240 C LEU A 19 -2.228 13.022 0.545 1.00 0.00 C ATOM 241 O LEU A 19 -3.188 12.917 -0.219 1.00 0.00 O ATOM 242 CB LEU A 19 -0.608 11.117 0.527 1.00 0.00 C ATOM 243 CG LEU A 19 0.469 10.410 1.351 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.115 9.202 2.068 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.633 9.995 0.464 1.00 0.00 C ATOM 0 H LEU A 19 -3.159 10.391 0.795 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.303 12.166 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.072 10.384 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.123 11.857 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 19 0.841 11.107 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.666 8.711 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.914 9.526 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.515 8.502 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.390 9.494 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.276 9.315 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.068 10.879 -0.002 1.00 0.00 H new ATOM 257 N SER A 20 -1.584 14.168 0.743 1.00 0.00 N ATOM 258 CA SER A 20 -1.979 15.395 0.062 1.00 0.00 C ATOM 259 C SER A 20 -0.755 16.161 -0.430 1.00 0.00 C ATOM 260 O SER A 20 0.142 16.489 0.347 1.00 0.00 O ATOM 261 CB SER A 20 -2.806 16.279 0.998 1.00 0.00 C ATOM 262 OG SER A 20 -2.018 16.761 2.073 1.00 0.00 O ATOM 0 H SER A 20 -0.786 14.272 1.370 1.00 0.00 H new ATOM 0 HA SER A 20 -2.587 15.123 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.218 17.120 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.650 15.711 1.388 1.00 0.00 H new ATOM 0 HG SER A 20 -1.081 16.818 1.792 1.00 0.00 H new ATOM 268 N LYS A 21 -0.725 16.444 -1.728 1.00 0.00 N ATOM 269 CA LYS A 21 0.387 17.173 -2.327 1.00 0.00 C ATOM 270 C LYS A 21 -0.092 18.041 -3.486 1.00 0.00 C ATOM 271 O LYS A 21 -1.208 17.874 -3.978 1.00 0.00 O ATOM 272 CB LYS A 21 1.459 16.197 -2.817 1.00 0.00 C ATOM 273 CG LYS A 21 1.148 15.582 -4.171 1.00 0.00 C ATOM 274 CD LYS A 21 2.326 14.782 -4.703 1.00 0.00 C ATOM 275 CE LYS A 21 2.040 14.226 -6.090 1.00 0.00 C ATOM 276 NZ LYS A 21 2.002 15.301 -7.121 1.00 0.00 N ATOM 0 H LYS A 21 -1.458 16.179 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 21 0.816 17.822 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.414 16.719 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.575 15.400 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.276 14.934 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.892 16.370 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.212 15.416 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.549 13.962 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.806 13.496 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.086 13.698 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.974 14.873 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.154 15.886 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.851 15.895 -7.034 1.00 0.00 H new ATOM 290 N GLN A 22 0.758 18.967 -3.917 1.00 0.00 N ATOM 291 CA GLN A 22 0.420 19.860 -5.019 1.00 0.00 C ATOM 292 C GLN A 22 1.076 19.398 -6.316 1.00 0.00 C ATOM 293 O GLN A 22 2.148 18.795 -6.299 1.00 0.00 O ATOM 294 CB GLN A 22 0.855 21.291 -4.696 1.00 0.00 C ATOM 295 CG GLN A 22 0.035 21.941 -3.593 1.00 0.00 C ATOM 296 CD GLN A 22 -1.380 22.266 -4.031 1.00 0.00 C ATOM 297 OE1 GLN A 22 -2.341 21.652 -3.568 1.00 0.00 O ATOM 298 NE2 GLN A 22 -1.514 23.235 -4.928 1.00 0.00 N ATOM 0 H GLN A 22 1.685 19.119 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.662 19.837 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.905 21.285 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.780 21.897 -5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.000 21.275 -2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.530 22.856 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.689 23.717 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.442 23.497 -5.261 1.00 0.00 H new ATOM 307 N GLU A 23 0.423 19.684 -7.438 1.00 0.00 N ATOM 308 CA GLU A 23 0.944 19.295 -8.744 1.00 0.00 C ATOM 309 C GLU A 23 2.424 19.644 -8.865 1.00 0.00 C ATOM 310 O GLU A 23 2.794 20.816 -8.925 1.00 0.00 O ATOM 311 CB GLU A 23 0.153 19.984 -9.858 1.00 0.00 C ATOM 312 CG GLU A 23 -0.220 21.422 -9.541 1.00 0.00 C ATOM 313 CD GLU A 23 -0.822 22.145 -10.730 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.015 21.917 -11.020 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.100 22.937 -11.371 1.00 0.00 O ATOM 0 H GLU A 23 -0.466 20.183 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 23 0.834 18.215 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.741 19.964 -10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.757 19.416 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.931 21.435 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.668 21.958 -9.206 1.00 0.00 H new ATOM 322 N GLY A 24 3.268 18.617 -8.900 1.00 0.00 N ATOM 323 CA GLY A 24 4.698 18.835 -9.013 1.00 0.00 C ATOM 324 C GLY A 24 5.435 18.527 -7.725 1.00 0.00 C ATOM 325 O GLY A 24 6.573 18.058 -7.751 1.00 0.00 O ATOM 0 H GLY A 24 2.986 17.638 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.095 18.211 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.883 19.871 -9.295 1.00 0.00 H new ATOM 329 N GLN A 25 4.787 18.792 -6.596 1.00 0.00 N ATOM 330 CA GLN A 25 5.390 18.541 -5.292 1.00 0.00 C ATOM 331 C GLN A 25 5.592 17.047 -5.064 1.00 0.00 C ATOM 332 O GLN A 25 5.032 16.219 -5.780 1.00 0.00 O ATOM 333 CB GLN A 25 4.515 19.125 -4.181 1.00 0.00 C ATOM 334 CG GLN A 25 5.269 19.388 -2.888 1.00 0.00 C ATOM 335 CD GLN A 25 6.514 20.227 -3.098 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.629 19.706 -3.131 1.00 0.00 O ATOM 337 NE2 GLN A 25 6.330 21.534 -3.243 1.00 0.00 N ATOM 0 H GLN A 25 3.845 19.180 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 25 6.365 19.028 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.073 20.058 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.692 18.439 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.609 19.894 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.549 18.437 -2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.388 21.923 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.131 22.149 -3.389 1.00 0.00 H new ATOM 346 N ASN A 26 6.398 16.710 -4.062 1.00 0.00 N ATOM 347 CA ASN A 26 6.675 15.315 -3.740 1.00 0.00 C ATOM 348 C ASN A 26 5.846 14.857 -2.545 1.00 0.00 C ATOM 349 O ASN A 26 5.161 15.658 -1.908 1.00 0.00 O ATOM 350 CB ASN A 26 8.165 15.125 -3.445 1.00 0.00 C ATOM 351 CG ASN A 26 8.660 16.050 -2.351 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.032 16.179 -1.300 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.792 16.701 -2.594 1.00 0.00 N ATOM 0 H ASN A 26 6.870 17.384 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 26 6.401 14.707 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.346 14.091 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.738 15.303 -4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.174 17.338 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.279 16.564 -3.479 1.00 0.00 H new ATOM 360 N TYR A 27 5.913 13.565 -2.245 1.00 0.00 N ATOM 361 CA TYR A 27 5.167 13.000 -1.128 1.00 0.00 C ATOM 362 C TYR A 27 6.096 12.670 0.037 1.00 0.00 C ATOM 363 O TYR A 27 5.686 12.685 1.197 1.00 0.00 O ATOM 364 CB TYR A 27 4.420 11.740 -1.570 1.00 0.00 C ATOM 365 CG TYR A 27 3.038 12.017 -2.117 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.124 12.777 -1.398 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.646 11.518 -3.354 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.860 13.031 -1.894 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.384 11.769 -3.858 1.00 0.00 C ATOM 370 CZ TYR A 27 0.495 12.525 -3.124 1.00 0.00 C ATOM 371 OH TYR A 27 -0.763 12.778 -3.622 1.00 0.00 O ATOM 0 H TYR A 27 6.477 12.889 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 27 4.445 13.745 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.007 11.228 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.337 11.061 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.406 13.176 -0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.340 10.924 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.161 13.623 -1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.096 11.375 -4.821 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.157 13.538 -3.145 1.00 0.00 H new ATOM 381 N GLY A 28 7.352 12.374 -0.283 1.00 0.00 N ATOM 382 CA GLY A 28 8.321 12.045 0.746 1.00 0.00 C ATOM 383 C GLY A 28 8.675 10.571 0.760 1.00 0.00 C ATOM 384 O GLY A 28 9.789 10.196 1.128 1.00 0.00 O ATOM 0 H GLY A 28 7.716 12.356 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.226 12.631 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.922 12.329 1.720 1.00 0.00 H new ATOM 388 N PHE A 29 7.725 9.732 0.360 1.00 0.00 N ATOM 389 CA PHE A 29 7.942 8.291 0.331 1.00 0.00 C ATOM 390 C PHE A 29 8.019 7.782 -1.106 1.00 0.00 C ATOM 391 O PHE A 29 7.311 8.267 -1.988 1.00 0.00 O ATOM 392 CB PHE A 29 6.819 7.570 1.079 1.00 0.00 C ATOM 393 CG PHE A 29 5.634 7.245 0.214 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.768 8.244 -0.201 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.386 5.941 -0.183 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.677 7.949 -0.997 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.297 5.640 -0.979 1.00 0.00 C ATOM 398 CZ PHE A 29 3.441 6.645 -1.386 1.00 0.00 C ATOM 0 H PHE A 29 6.798 10.025 0.052 1.00 0.00 H new ATOM 0 HA PHE A 29 8.891 8.081 0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.212 6.647 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.491 8.191 1.912 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.948 9.265 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.051 5.151 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.010 8.737 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.115 4.620 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.589 6.411 -2.007 1.00 0.00 H new ATOM 408 N PHE A 30 8.886 6.800 -1.333 1.00 0.00 N ATOM 409 CA PHE A 30 9.059 6.225 -2.662 1.00 0.00 C ATOM 410 C PHE A 30 8.725 4.736 -2.658 1.00 0.00 C ATOM 411 O PHE A 30 8.793 4.076 -1.621 1.00 0.00 O ATOM 412 CB PHE A 30 10.493 6.437 -3.150 1.00 0.00 C ATOM 413 CG PHE A 30 10.833 7.878 -3.406 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.391 8.514 -4.555 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.594 8.595 -2.498 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.702 9.840 -4.793 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.907 9.921 -2.730 1.00 0.00 C ATOM 418 CZ PHE A 30 11.462 10.544 -3.880 1.00 0.00 C ATOM 0 H PHE A 30 9.479 6.386 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 30 8.373 6.731 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.184 6.035 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.644 5.868 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.797 7.968 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.947 8.113 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.351 10.325 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.499 10.470 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.708 11.579 -4.065 1.00 0.00 H new ATOM 428 N LEU A 31 8.365 4.214 -3.825 1.00 0.00 N ATOM 429 CA LEU A 31 8.020 2.803 -3.958 1.00 0.00 C ATOM 430 C LEU A 31 9.259 1.966 -4.262 1.00 0.00 C ATOM 431 O LEU A 31 10.048 2.304 -5.144 1.00 0.00 O ATOM 432 CB LEU A 31 6.979 2.613 -5.063 1.00 0.00 C ATOM 433 CG LEU A 31 5.534 2.944 -4.688 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.691 3.143 -5.938 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.946 1.846 -3.814 1.00 0.00 C ATOM 0 H LEU A 31 8.304 4.746 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 31 7.600 2.467 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.264 3.233 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.018 1.576 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 31 5.529 3.874 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.666 3.378 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.101 3.964 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.702 2.230 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.917 2.098 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.963 0.901 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.536 1.752 -2.902 1.00 0.00 H new ATOM 447 N ARG A 32 9.421 0.871 -3.526 1.00 0.00 N ATOM 448 CA ARG A 32 10.563 -0.015 -3.718 1.00 0.00 C ATOM 449 C ARG A 32 10.134 -1.478 -3.645 1.00 0.00 C ATOM 450 O ARG A 32 9.505 -1.903 -2.676 1.00 0.00 O ATOM 451 CB ARG A 32 11.636 0.265 -2.664 1.00 0.00 C ATOM 452 CG ARG A 32 12.406 1.553 -2.907 1.00 0.00 C ATOM 453 CD ARG A 32 13.636 1.312 -3.768 1.00 0.00 C ATOM 454 NE ARG A 32 14.374 2.545 -4.026 1.00 0.00 N ATOM 455 CZ ARG A 32 14.037 3.420 -4.967 1.00 0.00 C ATOM 456 NH1 ARG A 32 12.979 3.198 -5.735 1.00 0.00 N ATOM 457 NH2 ARG A 32 14.758 4.520 -5.141 1.00 0.00 N ATOM 0 H ARG A 32 8.777 0.576 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 32 10.977 0.176 -4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.165 0.313 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.337 -0.569 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.756 2.280 -3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.707 1.984 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.290 0.595 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.333 0.866 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 32 15.193 2.746 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.422 2.354 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.722 3.871 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.572 4.695 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.498 5.191 -5.864 1.00 0.00 H new ATOM 471 N ILE A 33 10.478 -2.242 -4.677 1.00 0.00 N ATOM 472 CA ILE A 33 10.129 -3.656 -4.730 1.00 0.00 C ATOM 473 C ILE A 33 11.342 -4.532 -4.434 1.00 0.00 C ATOM 474 O ILE A 33 12.477 -4.156 -4.724 1.00 0.00 O ATOM 475 CB ILE A 33 9.553 -4.043 -6.104 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.606 -3.848 -7.197 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.309 -3.220 -6.408 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.535 -5.031 -7.358 1.00 0.00 C ATOM 0 H ILE A 33 10.998 -1.905 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 33 9.368 -3.822 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 33 9.272 -5.096 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.103 -3.659 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.197 -2.961 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.913 -3.505 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.555 -3.404 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.567 -2.161 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.255 -4.823 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.065 -5.207 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.955 -5.916 -7.618 1.00 0.00 H new ATOM 490 N GLU A 34 11.092 -5.704 -3.858 1.00 0.00 N ATOM 491 CA GLU A 34 12.164 -6.635 -3.525 1.00 0.00 C ATOM 492 C GLU A 34 11.887 -8.016 -4.112 1.00 0.00 C ATOM 493 O GLU A 34 10.738 -8.377 -4.366 1.00 0.00 O ATOM 494 CB GLU A 34 12.327 -6.737 -2.007 1.00 0.00 C ATOM 495 CG GLU A 34 13.687 -7.258 -1.575 1.00 0.00 C ATOM 496 CD GLU A 34 14.823 -6.354 -2.011 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.067 -5.336 -1.331 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.470 -6.666 -3.033 1.00 0.00 O ATOM 0 H GLU A 34 10.158 -6.031 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 34 13.089 -6.254 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.167 -5.753 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.553 -7.394 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.705 -7.360 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.840 -8.254 -1.991 1.00 0.00 H new ATOM 505 N LYS A 35 12.949 -8.784 -4.327 1.00 0.00 N ATOM 506 CA LYS A 35 12.824 -10.126 -4.884 1.00 0.00 C ATOM 507 C LYS A 35 12.230 -11.087 -3.859 1.00 0.00 C ATOM 508 O LYS A 35 12.584 -11.048 -2.680 1.00 0.00 O ATOM 509 CB LYS A 35 14.189 -10.638 -5.347 1.00 0.00 C ATOM 510 CG LYS A 35 14.581 -10.156 -6.734 1.00 0.00 C ATOM 511 CD LYS A 35 15.345 -8.844 -6.673 1.00 0.00 C ATOM 512 CE LYS A 35 16.833 -9.075 -6.460 1.00 0.00 C ATOM 513 NZ LYS A 35 17.641 -7.891 -6.865 1.00 0.00 N ATOM 0 H LYS A 35 13.907 -8.500 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 35 12.152 -10.075 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.948 -10.320 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.181 -11.728 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.194 -10.913 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.686 -10.029 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.191 -8.289 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.951 -8.230 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.019 -9.300 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.151 -9.946 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.650 -8.088 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.483 -7.691 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.355 -7.066 -6.300 1.00 0.00 H new ATOM 527 N ASP A 36 11.328 -11.949 -4.315 1.00 0.00 N ATOM 528 CA ASP A 36 10.687 -12.922 -3.438 1.00 0.00 C ATOM 529 C ASP A 36 9.960 -12.225 -2.293 1.00 0.00 C ATOM 530 O ASP A 36 10.061 -12.636 -1.136 1.00 0.00 O ATOM 531 CB ASP A 36 11.724 -13.898 -2.881 1.00 0.00 C ATOM 532 CG ASP A 36 12.193 -14.900 -3.918 1.00 0.00 C ATOM 533 OD1 ASP A 36 12.370 -14.503 -5.088 1.00 0.00 O ATOM 534 OD2 ASP A 36 12.381 -16.082 -3.559 1.00 0.00 O ATOM 0 H ASP A 36 11.024 -11.994 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 36 9.955 -13.477 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.581 -13.338 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.297 -14.432 -2.032 1.00 0.00 H new ATOM 539 N THR A 37 9.226 -11.166 -2.621 1.00 0.00 N ATOM 540 CA THR A 37 8.484 -10.410 -1.621 1.00 0.00 C ATOM 541 C THR A 37 7.120 -9.985 -2.153 1.00 0.00 C ATOM 542 O THR A 37 7.016 -9.423 -3.243 1.00 0.00 O ATOM 543 CB THR A 37 9.260 -9.157 -1.173 1.00 0.00 C ATOM 544 OG1 THR A 37 10.568 -9.526 -0.723 1.00 0.00 O ATOM 545 CG2 THR A 37 8.520 -8.432 -0.059 1.00 0.00 C ATOM 0 H THR A 37 9.130 -10.813 -3.573 1.00 0.00 H new ATOM 0 HA THR A 37 8.348 -11.070 -0.764 1.00 0.00 H new ATOM 0 HB THR A 37 9.346 -8.485 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.868 -8.895 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.087 -7.551 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.536 -8.127 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.406 -9.098 0.796 1.00 0.00 H new ATOM 553 N ASP A 38 6.076 -10.258 -1.377 1.00 0.00 N ATOM 554 CA ASP A 38 4.718 -9.902 -1.770 1.00 0.00 C ATOM 555 C ASP A 38 4.392 -8.469 -1.363 1.00 0.00 C ATOM 556 O ASP A 38 4.868 -7.981 -0.339 1.00 0.00 O ATOM 557 CB ASP A 38 3.712 -10.867 -1.139 1.00 0.00 C ATOM 558 CG ASP A 38 2.401 -10.915 -1.898 1.00 0.00 C ATOM 559 OD1 ASP A 38 2.438 -11.081 -3.136 1.00 0.00 O ATOM 560 OD2 ASP A 38 1.338 -10.789 -1.255 1.00 0.00 O ATOM 0 H ASP A 38 6.145 -10.725 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 38 4.649 -9.976 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.145 -11.867 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.521 -10.566 -0.109 1.00 0.00 H new ATOM 565 N GLY A 39 3.577 -7.799 -2.172 1.00 0.00 N ATOM 566 CA GLY A 39 3.202 -6.428 -1.880 1.00 0.00 C ATOM 567 C GLY A 39 4.364 -5.466 -2.026 1.00 0.00 C ATOM 568 O GLY A 39 5.509 -5.885 -2.198 1.00 0.00 O ATOM 0 H GLY A 39 3.170 -8.182 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.397 -6.124 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.811 -6.370 -0.864 1.00 0.00 H new ATOM 572 N HIS A 40 4.070 -4.171 -1.959 1.00 0.00 N ATOM 573 CA HIS A 40 5.100 -3.146 -2.087 1.00 0.00 C ATOM 574 C HIS A 40 5.520 -2.624 -0.716 1.00 0.00 C ATOM 575 O HIS A 40 4.696 -2.500 0.192 1.00 0.00 O ATOM 576 CB HIS A 40 4.595 -1.991 -2.953 1.00 0.00 C ATOM 577 CG HIS A 40 4.782 -2.217 -4.421 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.876 -1.752 -5.121 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.008 -2.865 -5.323 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.765 -2.103 -6.390 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.641 -2.779 -6.539 1.00 0.00 N ATOM 0 H HIS A 40 3.128 -3.807 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 40 5.969 -3.597 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.536 -1.832 -2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.115 -1.077 -2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.068 -3.358 -5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.474 -1.875 -7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.298 -3.173 -7.415 1.00 0.00 H new ATOM 590 N LEU A 41 6.805 -2.320 -0.572 1.00 0.00 N ATOM 591 CA LEU A 41 7.335 -1.812 0.688 1.00 0.00 C ATOM 592 C LEU A 41 7.784 -0.361 0.545 1.00 0.00 C ATOM 593 O LEU A 41 8.518 -0.017 -0.382 1.00 0.00 O ATOM 594 CB LEU A 41 8.507 -2.677 1.157 1.00 0.00 C ATOM 595 CG LEU A 41 8.273 -4.188 1.146 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.578 -4.928 0.898 1.00 0.00 C ATOM 597 CD2 LEU A 41 7.641 -4.640 2.454 1.00 0.00 C ATOM 0 H LEU A 41 7.499 -2.417 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 41 6.539 -1.855 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.369 -2.458 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.770 -2.378 2.172 1.00 0.00 H new ATOM 0 HG LEU A 41 7.585 -4.424 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.392 -6.002 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.990 -4.627 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.289 -4.686 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.482 -5.718 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.303 -4.391 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.684 -4.135 2.589 1.00 0.00 H new ATOM 609 N ILE A 42 7.340 0.484 1.469 1.00 0.00 N ATOM 610 CA ILE A 42 7.699 1.896 1.447 1.00 0.00 C ATOM 611 C ILE A 42 9.103 2.115 1.999 1.00 0.00 C ATOM 612 O ILE A 42 9.420 1.684 3.108 1.00 0.00 O ATOM 613 CB ILE A 42 6.702 2.743 2.261 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.348 2.799 1.551 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.252 4.145 2.477 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.410 1.682 1.949 1.00 0.00 C ATOM 0 H ILE A 42 6.731 0.215 2.242 1.00 0.00 H new ATOM 0 HA ILE A 42 7.667 2.213 0.405 1.00 0.00 H new ATOM 0 HB ILE A 42 6.560 2.275 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.873 3.756 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.510 2.760 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.537 4.732 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.195 4.086 3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.419 4.623 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.470 1.785 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.865 0.721 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.218 1.733 3.021 1.00 0.00 H new ATOM 628 N ARG A 43 9.941 2.789 1.218 1.00 0.00 N ATOM 629 CA ARG A 43 11.313 3.066 1.629 1.00 0.00 C ATOM 630 C ARG A 43 11.708 4.497 1.274 1.00 0.00 C ATOM 631 O ARG A 43 11.170 5.086 0.336 1.00 0.00 O ATOM 632 CB ARG A 43 12.275 2.080 0.964 1.00 0.00 C ATOM 633 CG ARG A 43 13.540 1.828 1.769 1.00 0.00 C ATOM 634 CD ARG A 43 14.525 0.961 1.001 1.00 0.00 C ATOM 635 NE ARG A 43 14.117 -0.442 0.978 1.00 0.00 N ATOM 636 CZ ARG A 43 14.359 -1.293 1.968 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.002 -0.888 3.054 1.00 0.00 N ATOM 638 NH2 ARG A 43 13.955 -2.554 1.874 1.00 0.00 N ATOM 0 H ARG A 43 9.694 3.153 0.298 1.00 0.00 H new ATOM 0 HA ARG A 43 11.373 2.949 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.760 1.133 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.550 2.461 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.009 2.780 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.283 1.342 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.613 1.330 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.512 1.044 1.456 1.00 0.00 H new ATOM 0 HE ARG A 43 13.619 -0.786 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.313 0.080 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.186 -1.545 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.458 -2.870 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.141 -3.207 2.635 1.00 0.00 H new ATOM 652 N VAL A 44 12.651 5.050 2.030 1.00 0.00 N ATOM 653 CA VAL A 44 13.119 6.410 1.796 1.00 0.00 C ATOM 654 C VAL A 44 12.045 7.431 2.159 1.00 0.00 C ATOM 655 O VAL A 44 11.722 8.315 1.366 1.00 0.00 O ATOM 656 CB VAL A 44 13.531 6.617 0.326 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.288 7.926 0.163 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.368 5.444 -0.161 1.00 0.00 C ATOM 0 H VAL A 44 13.106 4.576 2.810 1.00 0.00 H new ATOM 0 HA VAL A 44 13.990 6.559 2.435 1.00 0.00 H new ATOM 0 HB VAL A 44 12.629 6.669 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.571 8.055 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.652 8.755 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.185 7.907 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.651 5.606 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.266 5.359 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.787 4.525 -0.082 1.00 0.00 H new ATOM 668 N ILE A 45 11.497 7.301 3.362 1.00 0.00 N ATOM 669 CA ILE A 45 10.461 8.214 3.831 1.00 0.00 C ATOM 670 C ILE A 45 11.065 9.521 4.331 1.00 0.00 C ATOM 671 O ILE A 45 11.356 9.667 5.518 1.00 0.00 O ATOM 672 CB ILE A 45 9.624 7.583 4.959 1.00 0.00 C ATOM 673 CG1 ILE A 45 8.972 6.286 4.476 1.00 0.00 C ATOM 674 CG2 ILE A 45 8.568 8.563 5.447 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.485 5.399 5.601 1.00 0.00 C ATOM 0 H ILE A 45 11.752 6.573 4.030 1.00 0.00 H new ATOM 0 HA ILE A 45 9.812 8.419 2.980 1.00 0.00 H new ATOM 0 HB ILE A 45 10.285 7.347 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.131 6.531 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.690 5.731 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.985 8.102 6.244 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.054 9.462 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.908 8.828 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.034 4.498 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.326 5.123 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.743 5.936 6.192 1.00 0.00 H new ATOM 687 N GLU A 46 11.249 10.470 3.418 1.00 0.00 N ATOM 688 CA GLU A 46 11.818 11.766 3.768 1.00 0.00 C ATOM 689 C GLU A 46 11.112 12.359 4.984 1.00 0.00 C ATOM 690 O GLU A 46 9.941 12.077 5.233 1.00 0.00 O ATOM 691 CB GLU A 46 11.714 12.730 2.584 1.00 0.00 C ATOM 692 CG GLU A 46 12.818 13.772 2.550 1.00 0.00 C ATOM 693 CD GLU A 46 12.540 14.948 3.466 1.00 0.00 C ATOM 694 OE1 GLU A 46 11.566 15.685 3.204 1.00 0.00 O ATOM 695 OE2 GLU A 46 13.294 15.131 4.444 1.00 0.00 O ATOM 0 H GLU A 46 11.012 10.365 2.431 1.00 0.00 H new ATOM 0 HA GLU A 46 12.869 11.618 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.738 12.157 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.749 13.236 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.760 13.307 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.940 14.133 1.529 1.00 0.00 H new ATOM 702 N GLU A 47 11.835 13.182 5.738 1.00 0.00 N ATOM 703 CA GLU A 47 11.279 13.814 6.928 1.00 0.00 C ATOM 704 C GLU A 47 10.421 15.020 6.554 1.00 0.00 C ATOM 705 O GLU A 47 10.485 15.515 5.430 1.00 0.00 O ATOM 706 CB GLU A 47 12.401 14.246 7.875 1.00 0.00 C ATOM 707 CG GLU A 47 11.901 14.786 9.204 1.00 0.00 C ATOM 708 CD GLU A 47 13.030 15.113 10.162 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.530 16.257 10.123 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.413 14.225 10.952 1.00 0.00 O ATOM 0 H GLU A 47 12.806 13.426 5.545 1.00 0.00 H new ATOM 0 HA GLU A 47 10.647 13.084 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.056 13.395 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.004 15.011 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.308 15.683 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.240 14.052 9.665 1.00 0.00 H new ATOM 717 N GLY A 48 9.619 15.486 7.506 1.00 0.00 N ATOM 718 CA GLY A 48 8.760 16.629 7.258 1.00 0.00 C ATOM 719 C GLY A 48 7.968 16.491 5.973 1.00 0.00 C ATOM 720 O GLY A 48 7.720 17.477 5.280 1.00 0.00 O ATOM 0 H GLY A 48 9.549 15.093 8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.071 16.750 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.367 17.533 7.211 1.00 0.00 H new ATOM 724 N SER A 49 7.572 15.263 5.653 1.00 0.00 N ATOM 725 CA SER A 49 6.808 14.998 4.439 1.00 0.00 C ATOM 726 C SER A 49 5.367 14.625 4.774 1.00 0.00 C ATOM 727 O SER A 49 5.063 14.132 5.861 1.00 0.00 O ATOM 728 CB SER A 49 7.464 13.875 3.634 1.00 0.00 C ATOM 729 OG SER A 49 6.979 12.607 4.039 1.00 0.00 O ATOM 0 H SER A 49 7.767 14.436 6.217 1.00 0.00 H new ATOM 0 HA SER A 49 6.799 15.908 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.266 14.021 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.545 13.913 3.765 1.00 0.00 H new ATOM 0 HG SER A 49 7.690 12.118 4.503 1.00 0.00 H new ATOM 735 N PRO A 50 4.457 14.865 3.818 1.00 0.00 N ATOM 736 CA PRO A 50 3.033 14.561 3.987 1.00 0.00 C ATOM 737 C PRO A 50 2.759 13.061 4.009 1.00 0.00 C ATOM 738 O PRO A 50 1.634 12.630 4.263 1.00 0.00 O ATOM 739 CB PRO A 50 2.385 15.205 2.759 1.00 0.00 C ATOM 740 CG PRO A 50 3.468 15.247 1.737 1.00 0.00 C ATOM 741 CD PRO A 50 4.749 15.450 2.499 1.00 0.00 C ATOM 0 HA PRO A 50 2.646 14.934 4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.533 14.622 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.015 16.205 2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.498 14.321 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.304 16.058 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.588 14.951 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.008 16.506 2.576 1.00 0.00 H new ATOM 749 N ALA A 51 3.794 12.271 3.743 1.00 0.00 N ATOM 750 CA ALA A 51 3.664 10.819 3.735 1.00 0.00 C ATOM 751 C ALA A 51 3.936 10.236 5.117 1.00 0.00 C ATOM 752 O ALA A 51 3.455 9.153 5.449 1.00 0.00 O ATOM 753 CB ALA A 51 4.608 10.211 2.708 1.00 0.00 C ATOM 0 H ALA A 51 4.732 12.612 3.530 1.00 0.00 H new ATOM 0 HA ALA A 51 2.638 10.572 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.501 9.126 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.365 10.596 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.636 10.475 2.957 1.00 0.00 H new ATOM 759 N GLU A 52 4.711 10.961 5.918 1.00 0.00 N ATOM 760 CA GLU A 52 5.047 10.513 7.265 1.00 0.00 C ATOM 761 C GLU A 52 4.024 11.019 8.278 1.00 0.00 C ATOM 762 O GLU A 52 3.770 10.374 9.296 1.00 0.00 O ATOM 763 CB GLU A 52 6.447 10.996 7.652 1.00 0.00 C ATOM 764 CG GLU A 52 7.085 10.182 8.765 1.00 0.00 C ATOM 765 CD GLU A 52 8.279 10.880 9.386 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.070 11.817 10.184 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.423 10.489 9.074 1.00 0.00 O ATOM 0 H GLU A 52 5.117 11.860 5.658 1.00 0.00 H new ATOM 0 HA GLU A 52 5.031 9.423 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.090 10.961 6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.389 12.039 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.342 9.984 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.399 9.216 8.370 1.00 0.00 H new ATOM 774 N LYS A 53 3.441 12.178 7.992 1.00 0.00 N ATOM 775 CA LYS A 53 2.445 12.772 8.876 1.00 0.00 C ATOM 776 C LYS A 53 1.295 11.803 9.129 1.00 0.00 C ATOM 777 O LYS A 53 0.748 11.748 10.230 1.00 0.00 O ATOM 778 CB LYS A 53 1.908 14.072 8.273 1.00 0.00 C ATOM 779 CG LYS A 53 1.210 13.879 6.937 1.00 0.00 C ATOM 780 CD LYS A 53 0.450 15.127 6.521 1.00 0.00 C ATOM 781 CE LYS A 53 -0.715 14.790 5.603 1.00 0.00 C ATOM 782 NZ LYS A 53 -1.831 14.135 6.341 1.00 0.00 N ATOM 0 H LYS A 53 3.641 12.725 7.155 1.00 0.00 H new ATOM 0 HA LYS A 53 2.927 12.993 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.210 14.528 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.734 14.772 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.946 13.629 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.521 13.037 7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.079 15.641 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.127 15.815 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.079 15.701 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.371 14.131 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.703 14.196 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.596 13.136 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.974 14.616 7.252 1.00 0.00 H new ATOM 796 N ALA A 54 0.933 11.040 8.103 1.00 0.00 N ATOM 797 CA ALA A 54 -0.150 10.071 8.216 1.00 0.00 C ATOM 798 C ALA A 54 0.271 8.874 9.062 1.00 0.00 C ATOM 799 O ALA A 54 -0.571 8.142 9.581 1.00 0.00 O ATOM 800 CB ALA A 54 -0.594 9.613 6.834 1.00 0.00 C ATOM 0 H ALA A 54 1.374 11.074 7.184 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.990 10.557 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.403 8.890 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.943 10.472 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.246 9.149 6.317 1.00 0.00 H new ATOM 806 N GLY A 55 1.579 8.680 9.196 1.00 0.00 N ATOM 807 CA GLY A 55 2.088 7.570 9.980 1.00 0.00 C ATOM 808 C GLY A 55 2.735 6.502 9.121 1.00 0.00 C ATOM 809 O GLY A 55 2.818 5.340 9.520 1.00 0.00 O ATOM 0 H GLY A 55 2.296 9.272 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.816 7.942 10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.271 7.128 10.551 1.00 0.00 H new ATOM 813 N LEU A 56 3.194 6.895 7.938 1.00 0.00 N ATOM 814 CA LEU A 56 3.835 5.962 7.018 1.00 0.00 C ATOM 815 C LEU A 56 5.292 5.729 7.407 1.00 0.00 C ATOM 816 O LEU A 56 6.112 6.647 7.359 1.00 0.00 O ATOM 817 CB LEU A 56 3.756 6.492 5.585 1.00 0.00 C ATOM 818 CG LEU A 56 3.921 5.453 4.475 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.734 4.503 4.453 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.085 6.137 3.125 1.00 0.00 C ATOM 0 H LEU A 56 3.134 7.853 7.593 1.00 0.00 H new ATOM 0 HA LEU A 56 3.306 5.011 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.793 6.985 5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.524 7.255 5.458 1.00 0.00 H new ATOM 0 HG LEU A 56 4.821 4.872 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.869 3.771 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.662 3.988 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.819 5.068 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.201 5.383 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.204 6.743 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.968 6.776 3.146 1.00 0.00 H new ATOM 832 N LEU A 57 5.607 4.497 7.788 1.00 0.00 N ATOM 833 CA LEU A 57 6.966 4.142 8.183 1.00 0.00 C ATOM 834 C LEU A 57 7.607 3.214 7.156 1.00 0.00 C ATOM 835 O LEU A 57 6.912 2.540 6.395 1.00 0.00 O ATOM 836 CB LEU A 57 6.960 3.473 9.559 1.00 0.00 C ATOM 837 CG LEU A 57 6.874 4.412 10.762 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.425 4.760 11.065 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.538 3.784 11.978 1.00 0.00 C ATOM 0 H LEU A 57 4.940 3.726 7.832 1.00 0.00 H new ATOM 0 HA LEU A 57 7.554 5.058 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.117 2.783 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.867 2.875 9.654 1.00 0.00 H new ATOM 0 HG LEU A 57 7.404 5.332 10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.384 5.429 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.980 5.252 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.871 3.848 11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.467 4.467 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.036 2.848 12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.587 3.586 11.758 1.00 0.00 H new ATOM 851 N ASP A 58 8.935 3.183 7.142 1.00 0.00 N ATOM 852 CA ASP A 58 9.670 2.335 6.211 1.00 0.00 C ATOM 853 C ASP A 58 9.418 0.859 6.505 1.00 0.00 C ATOM 854 O ASP A 58 9.557 0.410 7.642 1.00 0.00 O ATOM 855 CB ASP A 58 11.168 2.634 6.289 1.00 0.00 C ATOM 856 CG ASP A 58 12.017 1.451 5.870 1.00 0.00 C ATOM 857 OD1 ASP A 58 12.069 0.460 6.628 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.632 1.516 4.784 1.00 0.00 O ATOM 0 H ASP A 58 9.524 3.735 7.765 1.00 0.00 H new ATOM 0 HA ASP A 58 9.316 2.552 5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.399 3.487 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.426 2.919 7.309 1.00 0.00 H new ATOM 863 N GLY A 59 9.045 0.110 5.472 1.00 0.00 N ATOM 864 CA GLY A 59 8.778 -1.306 5.640 1.00 0.00 C ATOM 865 C GLY A 59 7.318 -1.651 5.422 1.00 0.00 C ATOM 866 O GLY A 59 6.996 -2.729 4.921 1.00 0.00 O ATOM 0 H GLY A 59 8.923 0.459 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.391 -1.874 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.074 -1.612 6.643 1.00 0.00 H new ATOM 870 N ASP A 60 6.433 -0.736 5.799 1.00 0.00 N ATOM 871 CA ASP A 60 4.999 -0.949 5.642 1.00 0.00 C ATOM 872 C ASP A 60 4.692 -1.621 4.308 1.00 0.00 C ATOM 873 O ASP A 60 5.493 -1.565 3.374 1.00 0.00 O ATOM 874 CB ASP A 60 4.250 0.381 5.741 1.00 0.00 C ATOM 875 CG ASP A 60 3.889 0.738 7.169 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.660 0.377 8.083 1.00 0.00 O ATOM 877 OD2 ASP A 60 2.836 1.378 7.374 1.00 0.00 O ATOM 0 H ASP A 60 6.683 0.161 6.216 1.00 0.00 H new ATOM 0 HA ASP A 60 4.665 -1.606 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.866 1.174 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.341 0.328 5.142 1.00 0.00 H new ATOM 882 N ARG A 61 3.528 -2.258 4.226 1.00 0.00 N ATOM 883 CA ARG A 61 3.117 -2.944 3.007 1.00 0.00 C ATOM 884 C ARG A 61 1.795 -2.384 2.488 1.00 0.00 C ATOM 885 O ARG A 61 0.786 -2.394 3.192 1.00 0.00 O ATOM 886 CB ARG A 61 2.982 -4.446 3.262 1.00 0.00 C ATOM 887 CG ARG A 61 4.269 -5.221 3.032 1.00 0.00 C ATOM 888 CD ARG A 61 5.097 -5.314 4.304 1.00 0.00 C ATOM 889 NE ARG A 61 6.054 -6.417 4.256 1.00 0.00 N ATOM 890 CZ ARG A 61 5.701 -7.697 4.290 1.00 0.00 C ATOM 891 NH1 ARG A 61 4.422 -8.034 4.373 1.00 0.00 N ATOM 892 NH2 ARG A 61 6.630 -8.643 4.241 1.00 0.00 N ATOM 0 H ARG A 61 2.853 -2.313 4.989 1.00 0.00 H new ATOM 0 HA ARG A 61 3.884 -2.779 2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.652 -4.603 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.205 -4.848 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.033 -6.224 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.853 -4.735 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.632 -4.377 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.434 -5.446 5.159 1.00 0.00 H new ATOM 0 HE ARG A 61 7.047 -6.192 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.705 -7.309 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.155 -9.018 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.615 -8.387 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.359 -9.626 4.267 1.00 0.00 H new ATOM 906 N VAL A 62 1.810 -1.896 1.251 1.00 0.00 N ATOM 907 CA VAL A 62 0.614 -1.333 0.637 1.00 0.00 C ATOM 908 C VAL A 62 -0.197 -2.409 -0.075 1.00 0.00 C ATOM 909 O VAL A 62 0.291 -3.061 -0.999 1.00 0.00 O ATOM 910 CB VAL A 62 0.969 -0.223 -0.369 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.152 -0.640 -1.229 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.236 0.117 -1.234 1.00 0.00 C ATOM 0 H VAL A 62 2.638 -1.880 0.655 1.00 0.00 H new ATOM 0 HA VAL A 62 0.016 -0.905 1.442 1.00 0.00 H new ATOM 0 HB VAL A 62 1.252 0.671 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.388 0.157 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.016 -0.829 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.901 -1.547 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.033 0.903 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.552 -0.770 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.053 0.462 -0.600 1.00 0.00 H new ATOM 922 N LEU A 63 -1.440 -2.591 0.360 1.00 0.00 N ATOM 923 CA LEU A 63 -2.321 -3.589 -0.237 1.00 0.00 C ATOM 924 C LEU A 63 -3.068 -3.010 -1.434 1.00 0.00 C ATOM 925 O LEU A 63 -3.055 -3.583 -2.523 1.00 0.00 O ATOM 926 CB LEU A 63 -3.319 -4.103 0.802 1.00 0.00 C ATOM 927 CG LEU A 63 -2.718 -4.807 2.019 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.604 -4.613 3.240 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.517 -6.288 1.733 1.00 0.00 C ATOM 0 H LEU A 63 -1.860 -2.061 1.123 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.706 -4.420 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.915 -3.260 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.003 -4.794 0.309 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.745 -4.363 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.160 -5.121 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.696 -3.549 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.592 -5.030 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.088 -6.773 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.477 -6.747 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.841 -6.407 0.886 1.00 0.00 H new ATOM 941 N ARG A 64 -3.717 -1.869 -1.224 1.00 0.00 N ATOM 942 CA ARG A 64 -4.469 -1.211 -2.286 1.00 0.00 C ATOM 943 C ARG A 64 -4.039 0.245 -2.435 1.00 0.00 C ATOM 944 O ARG A 64 -3.835 0.947 -1.444 1.00 0.00 O ATOM 945 CB ARG A 64 -5.969 -1.284 -1.998 1.00 0.00 C ATOM 946 CG ARG A 64 -6.504 -2.704 -1.908 1.00 0.00 C ATOM 947 CD ARG A 64 -8.003 -2.720 -1.654 1.00 0.00 C ATOM 948 NE ARG A 64 -8.643 -3.900 -2.230 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.845 -4.064 -3.533 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.458 -3.129 -4.390 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.434 -5.165 -3.980 1.00 0.00 N ATOM 0 H ARG A 64 -3.737 -1.381 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.260 -1.731 -3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.176 -0.767 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.507 -0.751 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.285 -3.236 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.992 -3.236 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.189 -2.694 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.452 -1.821 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.952 -4.638 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.004 -2.281 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.614 -3.257 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.732 -5.886 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.589 -5.290 -4.980 1.00 0.00 H new ATOM 965 N ILE A 65 -3.903 0.692 -3.679 1.00 0.00 N ATOM 966 CA ILE A 65 -3.498 2.065 -3.957 1.00 0.00 C ATOM 967 C ILE A 65 -4.628 2.849 -4.615 1.00 0.00 C ATOM 968 O ILE A 65 -5.127 2.469 -5.673 1.00 0.00 O ATOM 969 CB ILE A 65 -2.257 2.112 -4.868 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.492 3.420 -4.657 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.665 1.959 -6.326 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.364 4.652 -4.750 1.00 0.00 C ATOM 0 H ILE A 65 -4.067 0.124 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.253 2.522 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.600 1.283 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.013 3.397 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.697 3.490 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.777 1.994 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.171 1.003 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.339 2.770 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.755 5.542 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.823 4.699 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.143 4.604 -3.989 1.00 0.00 H new ATOM 984 N ASN A 66 -5.027 3.947 -3.980 1.00 0.00 N ATOM 985 CA ASN A 66 -6.098 4.786 -4.505 1.00 0.00 C ATOM 986 C ASN A 66 -7.338 3.954 -4.817 1.00 0.00 C ATOM 987 O ASN A 66 -8.150 4.324 -5.663 1.00 0.00 O ATOM 988 CB ASN A 66 -5.630 5.517 -5.765 1.00 0.00 C ATOM 989 CG ASN A 66 -6.453 6.759 -6.051 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.418 6.715 -6.815 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.073 7.874 -5.438 1.00 0.00 N ATOM 0 H ASN A 66 -4.625 4.276 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.358 5.520 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.582 5.796 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.689 4.841 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.587 8.741 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.267 7.863 -4.813 1.00 0.00 H new ATOM 998 N GLY A 67 -7.477 2.826 -4.125 1.00 0.00 N ATOM 999 CA GLY A 67 -8.620 1.959 -4.342 1.00 0.00 C ATOM 1000 C GLY A 67 -8.374 0.938 -5.435 1.00 0.00 C ATOM 1001 O GLY A 67 -9.276 0.616 -6.208 1.00 0.00 O ATOM 0 H GLY A 67 -6.818 2.498 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.861 1.442 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.487 2.565 -4.604 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.149 0.427 -5.500 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.786 -0.564 -6.507 1.00 0.00 C ATOM 1007 C VAL A 68 -5.805 -1.585 -5.943 1.00 0.00 C ATOM 1008 O VAL A 68 -4.712 -1.234 -5.500 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.162 0.100 -7.749 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.801 -0.948 -8.790 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.111 1.137 -8.331 1.00 0.00 C ATOM 0 H VAL A 68 -6.391 0.683 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.706 -1.071 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.246 0.608 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.362 -0.460 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.083 -1.650 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.700 -1.486 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.655 1.596 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.045 0.654 -8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.314 1.904 -7.584 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.203 -2.853 -5.964 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.359 -3.928 -5.455 1.00 0.00 C ATOM 1023 C PHE A 69 -4.027 -3.971 -6.197 1.00 0.00 C ATOM 1024 O PHE A 69 -3.966 -4.360 -7.364 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.074 -5.274 -5.588 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.466 -6.361 -4.749 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.426 -6.248 -3.368 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.936 -7.496 -5.340 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.867 -7.247 -2.594 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.376 -8.499 -4.571 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.342 -8.374 -3.196 1.00 0.00 C ATOM 0 H PHE A 69 -7.105 -3.161 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.162 -3.733 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.120 -5.150 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.060 -5.582 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.836 -5.370 -2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.961 -7.599 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.841 -7.147 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.966 -9.379 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.906 -9.156 -2.592 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.961 -3.569 -5.513 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.629 -3.562 -6.106 1.00 0.00 C ATOM 1043 C VAL A 70 -0.711 -4.559 -5.408 1.00 0.00 C ATOM 1044 O VAL A 70 0.383 -4.207 -4.965 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.992 -2.161 -6.040 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.559 -1.265 -7.130 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -1.206 -1.543 -4.666 1.00 0.00 C ATOM 0 H VAL A 70 -2.994 -3.244 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.747 -3.851 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 70 0.081 -2.260 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.097 -0.280 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.350 -1.703 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.637 -1.170 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.750 -0.554 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.274 -1.456 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.747 -2.176 -3.907 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.163 -5.804 -5.312 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.381 -6.854 -4.669 1.00 0.00 C ATOM 1059 C ASP A 71 0.540 -7.539 -5.673 1.00 0.00 C ATOM 1060 O ASP A 71 1.659 -7.930 -5.340 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.308 -7.885 -4.021 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.547 -9.053 -3.426 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.655 -8.890 -3.130 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.154 -10.131 -3.256 1.00 0.00 O ATOM 0 H ASP A 71 -2.067 -6.111 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 71 0.234 -6.393 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.895 -7.402 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.012 -8.255 -4.766 1.00 0.00 H new ATOM 1069 N LYS A 72 0.061 -7.683 -6.905 1.00 0.00 N ATOM 1070 CA LYS A 72 0.840 -8.321 -7.959 1.00 0.00 C ATOM 1071 C LYS A 72 1.282 -7.300 -9.003 1.00 0.00 C ATOM 1072 O LYS A 72 2.283 -7.496 -9.690 1.00 0.00 O ATOM 1073 CB LYS A 72 0.022 -9.428 -8.628 1.00 0.00 C ATOM 1074 CG LYS A 72 -0.011 -10.723 -7.835 1.00 0.00 C ATOM 1075 CD LYS A 72 1.166 -11.619 -8.181 1.00 0.00 C ATOM 1076 CE LYS A 72 0.965 -13.032 -7.657 1.00 0.00 C ATOM 1077 NZ LYS A 72 0.112 -13.845 -8.568 1.00 0.00 N ATOM 0 H LYS A 72 -0.863 -7.366 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 72 1.729 -8.759 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.999 -9.076 -8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.436 -9.627 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.003 -10.498 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.943 -11.251 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.298 -11.646 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.080 -11.200 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.934 -13.517 -7.538 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.506 -12.991 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.001 -14.802 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.822 -13.396 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.562 -13.906 -9.503 1.00 0.00 H new ATOM 1091 N GLU A 73 0.529 -6.210 -9.114 1.00 0.00 N ATOM 1092 CA GLU A 73 0.844 -5.159 -10.074 1.00 0.00 C ATOM 1093 C GLU A 73 2.331 -4.818 -10.038 1.00 0.00 C ATOM 1094 O GLU A 73 3.001 -5.022 -9.026 1.00 0.00 O ATOM 1095 CB GLU A 73 0.016 -3.906 -9.782 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.430 -4.013 -10.236 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.559 -4.197 -11.735 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.262 -3.238 -12.478 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.957 -5.299 -12.166 1.00 0.00 O ATOM 0 H GLU A 73 -0.303 -6.032 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 73 0.596 -5.526 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.038 -3.708 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.480 -3.051 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.905 -4.853 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.968 -3.114 -9.937 1.00 0.00 H new ATOM 1106 N GLU A 74 2.840 -4.300 -11.151 1.00 0.00 N ATOM 1107 CA GLU A 74 4.248 -3.932 -11.248 1.00 0.00 C ATOM 1108 C GLU A 74 4.481 -2.524 -10.710 1.00 0.00 C ATOM 1109 O GLU A 74 3.593 -1.672 -10.762 1.00 0.00 O ATOM 1110 CB GLU A 74 4.723 -4.021 -12.700 1.00 0.00 C ATOM 1111 CG GLU A 74 6.235 -4.046 -12.845 1.00 0.00 C ATOM 1112 CD GLU A 74 6.682 -4.026 -14.294 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.653 -5.095 -14.939 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.061 -2.941 -14.782 1.00 0.00 O ATOM 0 H GLU A 74 2.299 -4.126 -11.998 1.00 0.00 H new ATOM 0 HA GLU A 74 4.822 -4.633 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.308 -4.920 -13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.327 -3.171 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.660 -3.187 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.628 -4.939 -12.360 1.00 0.00 H new ATOM 1121 N HIS A 75 5.682 -2.285 -10.192 1.00 0.00 N ATOM 1122 CA HIS A 75 6.033 -0.980 -9.644 1.00 0.00 C ATOM 1123 C HIS A 75 5.566 0.141 -10.568 1.00 0.00 C ATOM 1124 O HIS A 75 5.005 1.138 -10.116 1.00 0.00 O ATOM 1125 CB HIS A 75 7.544 -0.883 -9.429 1.00 0.00 C ATOM 1126 CG HIS A 75 7.988 0.443 -8.893 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.836 1.625 -9.588 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.582 0.771 -7.722 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.319 2.622 -8.868 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.778 2.130 -7.731 1.00 0.00 N ATOM 0 H HIS A 75 6.428 -2.978 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 75 5.529 -0.869 -8.684 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.856 -1.667 -8.739 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.050 -1.071 -10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.852 0.090 -6.928 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.336 3.662 -9.159 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.208 2.672 -6.981 1.00 0.00 H new ATOM 1139 N ALA A 76 5.803 -0.031 -11.865 1.00 0.00 N ATOM 1140 CA ALA A 76 5.406 0.965 -12.852 1.00 0.00 C ATOM 1141 C ALA A 76 3.888 1.033 -12.984 1.00 0.00 C ATOM 1142 O ALA A 76 3.326 2.096 -13.244 1.00 0.00 O ATOM 1143 CB ALA A 76 6.042 0.655 -14.199 1.00 0.00 C ATOM 0 H ALA A 76 6.268 -0.851 -12.256 1.00 0.00 H new ATOM 0 HA ALA A 76 5.758 1.939 -12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.737 1.407 -14.927 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.127 0.665 -14.100 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.718 -0.329 -14.537 1.00 0.00 H new ATOM 1149 N GLN A 77 3.232 -0.109 -12.803 1.00 0.00 N ATOM 1150 CA GLN A 77 1.779 -0.178 -12.904 1.00 0.00 C ATOM 1151 C GLN A 77 1.119 0.417 -11.665 1.00 0.00 C ATOM 1152 O GLN A 77 -0.046 0.815 -11.700 1.00 0.00 O ATOM 1153 CB GLN A 77 1.328 -1.628 -13.091 1.00 0.00 C ATOM 1154 CG GLN A 77 1.344 -2.088 -14.540 1.00 0.00 C ATOM 1155 CD GLN A 77 0.300 -3.150 -14.826 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.518 -4.335 -14.573 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.842 -2.729 -15.356 1.00 0.00 N ATOM 0 H GLN A 77 3.683 -0.998 -12.586 1.00 0.00 H new ATOM 0 HA GLN A 77 1.472 0.405 -13.772 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.976 -2.280 -12.504 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.319 -1.740 -12.694 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.173 -1.231 -15.191 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.332 -2.480 -14.782 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.979 -1.737 -15.549 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.582 -3.398 -15.570 1.00 0.00 H new ATOM 1166 N VAL A 78 1.870 0.473 -10.569 1.00 0.00 N ATOM 1167 CA VAL A 78 1.358 1.020 -9.319 1.00 0.00 C ATOM 1168 C VAL A 78 1.672 2.507 -9.199 1.00 0.00 C ATOM 1169 O VAL A 78 0.780 3.325 -8.972 1.00 0.00 O ATOM 1170 CB VAL A 78 1.946 0.283 -8.101 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.247 0.720 -6.823 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.841 -1.223 -8.288 1.00 0.00 C ATOM 0 H VAL A 78 2.835 0.146 -10.522 1.00 0.00 H new ATOM 0 HA VAL A 78 0.277 0.880 -9.333 1.00 0.00 H new ATOM 0 HB VAL A 78 3.001 0.543 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.676 0.188 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.380 1.793 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.183 0.492 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.261 -1.728 -7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.794 -1.504 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.393 -1.518 -9.180 1.00 0.00 H new ATOM 1182 N VAL A 79 2.947 2.851 -9.354 1.00 0.00 N ATOM 1183 CA VAL A 79 3.379 4.241 -9.266 1.00 0.00 C ATOM 1184 C VAL A 79 2.575 5.128 -10.209 1.00 0.00 C ATOM 1185 O VAL A 79 2.398 6.319 -9.955 1.00 0.00 O ATOM 1186 CB VAL A 79 4.877 4.384 -9.596 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.160 3.902 -11.011 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.326 5.826 -9.417 1.00 0.00 C ATOM 0 H VAL A 79 3.698 2.187 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 79 3.208 4.561 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 79 5.445 3.761 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.223 4.010 -11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.877 2.853 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.584 4.496 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.387 5.909 -9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.753 6.471 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.160 6.133 -8.384 1.00 0.00 H new ATOM 1198 N GLU A 80 2.089 4.539 -11.297 1.00 0.00 N ATOM 1199 CA GLU A 80 1.303 5.278 -12.278 1.00 0.00 C ATOM 1200 C GLU A 80 -0.018 5.747 -11.675 1.00 0.00 C ATOM 1201 O GLU A 80 -0.434 6.889 -11.877 1.00 0.00 O ATOM 1202 CB GLU A 80 1.034 4.408 -13.508 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.270 3.631 -13.431 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.422 2.633 -14.563 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.610 2.136 -15.059 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.575 2.350 -14.952 1.00 0.00 O ATOM 0 H GLU A 80 2.226 3.553 -11.521 1.00 0.00 H new ATOM 0 HA GLU A 80 1.876 6.155 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.017 5.042 -14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.858 3.706 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.319 3.104 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.107 4.329 -13.452 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.672 4.859 -10.935 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.946 5.181 -10.302 1.00 0.00 C ATOM 1215 C LEU A 81 -1.773 6.277 -9.256 1.00 0.00 C ATOM 1216 O LEU A 81 -2.629 7.150 -9.108 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.546 3.932 -9.654 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.940 2.804 -10.608 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.805 1.453 -9.922 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.360 3.007 -11.117 1.00 0.00 C ATOM 0 H LEU A 81 -0.341 3.910 -10.758 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.625 5.545 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.827 3.539 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.430 4.229 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.263 2.824 -11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.090 0.662 -10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.772 1.306 -9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.457 1.421 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.623 2.195 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.051 3.015 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.424 3.957 -11.647 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.659 6.228 -8.533 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.371 7.218 -7.503 1.00 0.00 C ATOM 1234 C VAL A 82 -0.129 8.594 -8.115 1.00 0.00 C ATOM 1235 O VAL A 82 -0.430 9.618 -7.502 1.00 0.00 O ATOM 1236 CB VAL A 82 0.858 6.818 -6.666 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.062 7.791 -5.516 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.711 5.394 -6.151 1.00 0.00 C ATOM 0 H VAL A 82 0.059 5.512 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.245 7.261 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 82 1.740 6.860 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.935 7.491 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.216 8.795 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.181 7.785 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.588 5.128 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.180 5.323 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.619 4.710 -6.994 1.00 0.00 H new ATOM 1248 N ARG A 83 0.415 8.608 -9.327 1.00 0.00 N ATOM 1249 CA ARG A 83 0.697 9.858 -10.023 1.00 0.00 C ATOM 1250 C ARG A 83 -0.584 10.475 -10.575 1.00 0.00 C ATOM 1251 O ARG A 83 -0.895 11.635 -10.302 1.00 0.00 O ATOM 1252 CB ARG A 83 1.692 9.619 -11.160 1.00 0.00 C ATOM 1253 CG ARG A 83 1.809 10.790 -12.123 1.00 0.00 C ATOM 1254 CD ARG A 83 3.199 10.871 -12.735 1.00 0.00 C ATOM 1255 NE ARG A 83 3.246 11.794 -13.865 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.368 12.335 -14.327 1.00 0.00 C ATOM 1257 NH1 ARG A 83 5.530 12.047 -13.757 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.329 13.167 -15.360 1.00 0.00 N ATOM 0 H ARG A 83 0.669 7.768 -9.847 1.00 0.00 H new ATOM 0 HA ARG A 83 1.134 10.553 -9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.674 9.410 -10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.390 8.731 -11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.067 10.687 -12.915 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.587 11.719 -11.597 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.912 11.192 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.509 9.879 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 83 2.369 12.037 -14.325 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.564 11.409 -12.962 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.390 12.464 -14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.437 13.392 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.191 13.582 -15.714 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.324 9.693 -11.353 1.00 0.00 N ATOM 1273 CA LYS A 84 -2.572 10.160 -11.943 1.00 0.00 C ATOM 1274 C LYS A 84 -3.602 10.474 -10.862 1.00 0.00 C ATOM 1275 O LYS A 84 -4.410 11.391 -11.008 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.131 9.109 -12.905 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.788 7.932 -12.205 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.235 6.872 -13.198 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.454 7.325 -13.986 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.719 7.089 -13.235 1.00 0.00 N ATOM 0 H LYS A 84 -1.080 8.731 -11.590 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.362 11.075 -12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.860 9.582 -13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.323 8.740 -13.537 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.088 7.494 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.647 8.281 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.419 6.648 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.466 5.949 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.362 8.386 -14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.491 6.792 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.527 7.411 -13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.820 6.073 -13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.695 7.618 -12.340 1.00 0.00 H new ATOM 1294 N SER A 85 -3.566 9.707 -9.777 1.00 0.00 N ATOM 1295 CA SER A 85 -4.498 9.901 -8.672 1.00 0.00 C ATOM 1296 C SER A 85 -4.788 11.384 -8.461 1.00 0.00 C ATOM 1297 O SER A 85 -5.938 11.785 -8.286 1.00 0.00 O ATOM 1298 CB SER A 85 -3.933 9.293 -7.388 1.00 0.00 C ATOM 1299 OG SER A 85 -4.327 7.939 -7.249 1.00 0.00 O ATOM 0 H SER A 85 -2.902 8.945 -9.639 1.00 0.00 H new ATOM 0 HA SER A 85 -5.432 9.398 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.845 9.359 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.279 9.866 -6.528 1.00 0.00 H new ATOM 0 HG SER A 85 -3.825 7.386 -7.883 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.734 12.195 -8.479 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.896 13.625 -8.289 1.00 0.00 C ATOM 1307 C GLY A 86 -3.233 14.119 -7.018 1.00 0.00 C ATOM 1308 O GLY A 86 -2.133 13.688 -6.676 1.00 0.00 O ATOM 0 H GLY A 86 -2.772 11.888 -8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.474 14.152 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.958 13.866 -8.259 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.904 15.027 -6.317 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.372 15.582 -5.077 1.00 0.00 C ATOM 1314 C ASN A 87 -3.622 14.636 -3.907 1.00 0.00 C ATOM 1315 O ASN A 87 -2.707 14.318 -3.146 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.007 16.944 -4.791 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.023 17.843 -6.012 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -5.078 18.313 -6.436 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.849 18.085 -6.583 1.00 0.00 N ATOM 0 H ASN A 87 -4.817 15.394 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.296 15.708 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.028 16.799 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.458 17.436 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.797 18.682 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.999 17.674 -6.197 1.00 0.00 H new ATOM 1326 N SER A 88 -4.866 14.188 -3.769 1.00 0.00 N ATOM 1327 CA SER A 88 -5.237 13.281 -2.689 1.00 0.00 C ATOM 1328 C SER A 88 -5.138 11.828 -3.143 1.00 0.00 C ATOM 1329 O SER A 88 -5.680 11.452 -4.183 1.00 0.00 O ATOM 1330 CB SER A 88 -6.657 13.581 -2.208 1.00 0.00 C ATOM 1331 OG SER A 88 -6.986 12.801 -1.072 1.00 0.00 O ATOM 0 H SER A 88 -5.634 14.438 -4.392 1.00 0.00 H new ATOM 0 HA SER A 88 -4.542 13.434 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.746 14.640 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.367 13.378 -3.010 1.00 0.00 H new ATOM 0 HG SER A 88 -7.898 13.013 -0.783 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.442 11.014 -2.356 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.272 9.602 -2.675 1.00 0.00 C ATOM 1339 C VAL A 89 -4.418 8.736 -1.429 1.00 0.00 C ATOM 1340 O VAL A 89 -3.846 9.035 -0.380 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.897 9.332 -3.316 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.775 7.872 -3.723 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.678 10.248 -4.510 1.00 0.00 C ATOM 0 H VAL A 89 -3.986 11.309 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.054 9.343 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.123 9.544 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.798 7.700 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.885 7.239 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.555 7.629 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.702 10.044 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.456 10.070 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.719 11.287 -4.184 1.00 0.00 H new ATOM 1353 N THR A 90 -5.188 7.659 -1.550 1.00 0.00 N ATOM 1354 CA THR A 90 -5.410 6.749 -0.433 1.00 0.00 C ATOM 1355 C THR A 90 -4.472 5.549 -0.506 1.00 0.00 C ATOM 1356 O THR A 90 -4.197 5.028 -1.588 1.00 0.00 O ATOM 1357 CB THR A 90 -6.866 6.246 -0.400 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.767 7.357 -0.337 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.095 5.332 0.795 1.00 0.00 C ATOM 0 H THR A 90 -5.668 7.396 -2.410 1.00 0.00 H new ATOM 0 HA THR A 90 -5.206 7.311 0.478 1.00 0.00 H new ATOM 0 HB THR A 90 -7.053 5.679 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.616 7.067 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.130 4.989 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.428 4.472 0.729 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.892 5.879 1.716 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.983 5.115 0.650 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.075 3.975 0.717 1.00 0.00 C ATOM 1369 C LEU A 91 -3.358 3.126 1.952 1.00 0.00 C ATOM 1370 O LEU A 91 -3.366 3.629 3.077 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.623 4.455 0.736 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.251 5.508 -0.308 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -0.011 6.275 0.125 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.030 4.858 -1.666 1.00 0.00 C ATOM 0 H LEU A 91 -4.200 5.535 1.554 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.236 3.361 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.408 4.861 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.974 3.590 0.598 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.078 6.213 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.238 7.020 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.204 6.773 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.823 5.583 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.766 5.623 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.222 4.130 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.944 4.355 -1.982 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.589 1.836 1.736 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.870 0.915 2.832 1.00 0.00 C ATOM 1388 C LEU A 92 -2.614 0.151 3.238 1.00 0.00 C ATOM 1389 O LEU A 92 -2.145 -0.725 2.511 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.970 -0.069 2.428 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.405 0.452 2.523 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.347 -0.428 1.717 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.851 0.524 3.975 1.00 0.00 C ATOM 0 H LEU A 92 -3.587 1.404 0.812 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.209 1.500 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.787 -0.386 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.885 -0.956 3.055 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.434 1.458 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.363 -0.042 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.040 -0.428 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.315 -1.446 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.874 0.897 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.806 -0.470 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.193 1.197 4.525 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.074 0.488 4.405 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.873 -0.167 4.910 1.00 0.00 C ATOM 1407 C VAL A 93 -1.217 -1.189 5.988 1.00 0.00 C ATOM 1408 O VAL A 93 -1.890 -0.870 6.969 1.00 0.00 O ATOM 1409 CB VAL A 93 0.124 0.855 5.487 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.795 1.636 4.367 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.577 1.794 6.457 1.00 0.00 C ATOM 0 H VAL A 93 -2.449 1.211 5.019 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.411 -0.676 4.064 1.00 0.00 H new ATOM 0 HB VAL A 93 0.896 0.315 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.496 2.354 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.332 0.948 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.038 2.167 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.143 2.509 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.371 2.329 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.006 1.217 7.276 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.751 -2.418 5.800 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.009 -3.489 6.757 1.00 0.00 C ATOM 1423 C LEU A 94 0.223 -3.759 7.616 1.00 0.00 C ATOM 1424 O LEU A 94 1.329 -3.331 7.285 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.424 -4.766 6.025 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.829 -5.945 6.909 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.067 -5.602 7.723 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.073 -7.187 6.064 1.00 0.00 C ATOM 0 H LEU A 94 -0.192 -2.698 4.994 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.823 -3.172 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.259 -4.528 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.597 -5.082 5.389 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.011 -6.154 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.340 -6.454 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.858 -4.740 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.891 -5.366 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.360 -8.016 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.872 -6.990 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.161 -7.446 5.526 1.00 0.00 H new ATOM 1440 N ASP A 95 0.024 -4.474 8.718 1.00 0.00 N ATOM 1441 CA ASP A 95 1.118 -4.804 9.623 1.00 0.00 C ATOM 1442 C ASP A 95 2.009 -5.888 9.025 1.00 0.00 C ATOM 1443 O ASP A 95 1.540 -6.758 8.291 1.00 0.00 O ATOM 1444 CB ASP A 95 0.570 -5.266 10.974 1.00 0.00 C ATOM 1445 CG ASP A 95 0.163 -4.106 11.861 1.00 0.00 C ATOM 1446 OD1 ASP A 95 1.035 -3.575 12.581 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -1.027 -3.728 11.834 1.00 0.00 O ATOM 0 H ASP A 95 -0.885 -4.836 9.006 1.00 0.00 H new ATOM 0 HA ASP A 95 1.717 -3.906 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.291 -5.914 10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.326 -5.862 11.485 1.00 0.00 H new ATOM 1452 N GLY A 96 3.299 -5.829 9.342 1.00 0.00 N ATOM 1453 CA GLY A 96 4.236 -6.811 8.826 1.00 0.00 C ATOM 1454 C GLY A 96 3.863 -8.228 9.214 1.00 0.00 C ATOM 1455 O GLY A 96 3.403 -9.007 8.379 1.00 0.00 O ATOM 0 H GLY A 96 3.712 -5.119 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.277 -6.734 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.235 -6.586 9.199 1.00 0.00 H new ATOM 1459 N ASP A 97 4.063 -8.564 10.484 1.00 0.00 N ATOM 1460 CA ASP A 97 3.746 -9.897 10.981 1.00 0.00 C ATOM 1461 C ASP A 97 2.418 -10.387 10.412 1.00 0.00 C ATOM 1462 O ASP A 97 2.364 -11.409 9.728 1.00 0.00 O ATOM 1463 CB ASP A 97 3.690 -9.895 12.510 1.00 0.00 C ATOM 1464 CG ASP A 97 4.985 -9.416 13.136 1.00 0.00 C ATOM 1465 OD1 ASP A 97 6.061 -9.864 12.689 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.922 -8.593 14.073 1.00 0.00 O ATOM 0 H ASP A 97 4.443 -7.931 11.188 1.00 0.00 H new ATOM 0 HA ASP A 97 4.534 -10.576 10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.872 -9.255 12.840 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.469 -10.902 12.864 1.00 0.00 H new ATOM 1471 N SER A 98 1.349 -9.652 10.700 1.00 0.00 N ATOM 1472 CA SER A 98 0.020 -10.015 10.222 1.00 0.00 C ATOM 1473 C SER A 98 0.058 -10.384 8.742 1.00 0.00 C ATOM 1474 O SER A 98 -0.440 -11.436 8.340 1.00 0.00 O ATOM 1475 CB SER A 98 -0.959 -8.860 10.446 1.00 0.00 C ATOM 1476 OG SER A 98 -1.085 -8.560 11.825 1.00 0.00 O ATOM 0 H SER A 98 1.377 -8.801 11.262 1.00 0.00 H new ATOM 0 HA SER A 98 -0.318 -10.883 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.614 -7.977 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.935 -9.121 10.037 1.00 0.00 H new ATOM 0 HG SER A 98 -1.714 -7.818 11.942 1.00 0.00 H new ATOM 1482 N TYR A 99 0.652 -9.511 7.936 1.00 0.00 N ATOM 1483 CA TYR A 99 0.754 -9.742 6.500 1.00 0.00 C ATOM 1484 C TYR A 99 1.369 -11.108 6.211 1.00 0.00 C ATOM 1485 O TYR A 99 0.756 -11.950 5.555 1.00 0.00 O ATOM 1486 CB TYR A 99 1.591 -8.644 5.843 1.00 0.00 C ATOM 1487 CG TYR A 99 1.469 -8.609 4.336 1.00 0.00 C ATOM 1488 CD1 TYR A 99 1.827 -9.707 3.565 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.995 -7.477 3.684 1.00 0.00 C ATOM 1490 CE1 TYR A 99 1.718 -9.680 2.188 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.881 -7.441 2.308 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.244 -8.544 1.564 1.00 0.00 C ATOM 1493 OH TYR A 99 1.133 -8.513 0.193 1.00 0.00 O ATOM 0 H TYR A 99 1.070 -8.636 8.253 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.252 -9.721 6.082 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.288 -7.678 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.638 -8.787 6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.197 -10.598 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.711 -6.611 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.002 -10.543 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.509 -6.554 1.817 1.00 0.00 H new ATOM 0 HH TYR A 99 1.415 -9.375 -0.178 1.00 0.00 H new ATOM 1503 N GLU A 100 2.584 -11.319 6.705 1.00 0.00 N ATOM 1504 CA GLU A 100 3.283 -12.582 6.500 1.00 0.00 C ATOM 1505 C GLU A 100 2.408 -13.762 6.914 1.00 0.00 C ATOM 1506 O GLU A 100 2.265 -14.734 6.172 1.00 0.00 O ATOM 1507 CB GLU A 100 4.592 -12.601 7.292 1.00 0.00 C ATOM 1508 CG GLU A 100 5.533 -11.461 6.941 1.00 0.00 C ATOM 1509 CD GLU A 100 6.851 -11.541 7.687 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.435 -12.643 7.743 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.298 -10.501 8.214 1.00 0.00 O ATOM 0 H GLU A 100 3.105 -10.632 7.250 1.00 0.00 H new ATOM 0 HA GLU A 100 3.508 -12.674 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.363 -12.557 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.101 -13.548 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.726 -11.471 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.048 -10.512 7.168 1.00 0.00 H new ATOM 1518 N LYS A 101 1.825 -13.669 8.104 1.00 0.00 N ATOM 1519 CA LYS A 101 0.963 -14.726 8.619 1.00 0.00 C ATOM 1520 C LYS A 101 -0.114 -15.093 7.603 1.00 0.00 C ATOM 1521 O LYS A 101 -0.305 -16.266 7.283 1.00 0.00 O ATOM 1522 CB LYS A 101 0.312 -14.288 9.932 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.519 -15.375 10.592 1.00 0.00 C ATOM 1524 CD LYS A 101 -0.784 -15.063 12.056 1.00 0.00 C ATOM 1525 CE LYS A 101 0.462 -15.267 12.904 1.00 0.00 C ATOM 1526 NZ LYS A 101 0.566 -16.664 13.409 1.00 0.00 N ATOM 0 H LYS A 101 1.934 -12.872 8.731 1.00 0.00 H new ATOM 0 HA LYS A 101 1.580 -15.606 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.090 -13.967 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.323 -13.422 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.467 -15.481 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.001 -16.330 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.127 -14.033 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.586 -15.702 12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.346 -15.027 12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.445 -14.576 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.428 -16.763 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.266 -16.885 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.608 -17.322 12.604 1.00 0.00 H new ATOM 1540 N ALA A 102 -0.814 -14.083 7.098 1.00 0.00 N ATOM 1541 CA ALA A 102 -1.869 -14.299 6.115 1.00 0.00 C ATOM 1542 C ALA A 102 -1.363 -15.130 4.941 1.00 0.00 C ATOM 1543 O ALA A 102 -1.905 -16.193 4.640 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.415 -12.967 5.626 1.00 0.00 C ATOM 0 H ALA A 102 -0.670 -13.106 7.353 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.674 -14.853 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.202 -13.143 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.823 -12.410 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.612 -12.392 5.165 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.320 -14.637 4.279 1.00 0.00 N ATOM 1551 CA VAL A 103 0.260 -15.334 3.137 1.00 0.00 C ATOM 1552 C VAL A 103 0.300 -16.840 3.375 1.00 0.00 C ATOM 1553 O VAL A 103 -0.039 -17.628 2.493 1.00 0.00 O ATOM 1554 CB VAL A 103 1.685 -14.834 2.839 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.297 -15.620 1.689 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.673 -13.344 2.531 1.00 0.00 C ATOM 0 H VAL A 103 0.140 -13.758 4.514 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.378 -15.122 2.279 1.00 0.00 H new ATOM 0 HB VAL A 103 2.300 -14.994 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.304 -15.253 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.341 -16.677 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.685 -15.495 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.689 -13.007 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.043 -13.157 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.279 -12.798 3.388 1.00 0.00 H new ATOM 1566 N LYS A 104 0.717 -17.232 4.574 1.00 0.00 N ATOM 1567 CA LYS A 104 0.801 -18.644 4.931 1.00 0.00 C ATOM 1568 C LYS A 104 -0.572 -19.304 4.866 1.00 0.00 C ATOM 1569 O LYS A 104 -0.744 -20.339 4.223 1.00 0.00 O ATOM 1570 CB LYS A 104 1.389 -18.802 6.335 1.00 0.00 C ATOM 1571 CG LYS A 104 2.834 -18.348 6.444 1.00 0.00 C ATOM 1572 CD LYS A 104 3.773 -19.293 5.713 1.00 0.00 C ATOM 1573 CE LYS A 104 4.056 -20.542 6.534 1.00 0.00 C ATOM 1574 NZ LYS A 104 4.952 -20.254 7.689 1.00 0.00 N ATOM 0 H LYS A 104 1.002 -16.592 5.315 1.00 0.00 H new ATOM 0 HA LYS A 104 1.456 -19.137 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.784 -18.232 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.322 -19.849 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.933 -17.344 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.120 -18.290 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.334 -19.577 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.710 -18.780 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.117 -20.958 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.515 -21.299 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.325 -21.147 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.742 -19.655 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.415 -19.759 8.430 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.548 -18.698 5.535 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.906 -19.227 5.553 1.00 0.00 C ATOM 1590 C ASN A 105 -3.683 -18.772 4.321 1.00 0.00 C ATOM 1591 O ASN A 105 -4.914 -18.767 4.319 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.634 -18.780 6.822 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.819 -19.035 8.076 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.746 -20.163 8.563 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.202 -17.985 8.604 1.00 0.00 N ATOM 0 H ASN A 105 -1.423 -17.840 6.072 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.845 -20.315 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.863 -17.717 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.585 -19.307 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.639 -18.095 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.291 -17.068 8.166 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.955 -18.390 3.277 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.576 -17.933 2.039 1.00 0.00 C ATOM 1604 C GLN A 106 -4.847 -17.140 2.328 1.00 0.00 C ATOM 1605 O GLN A 106 -5.866 -17.316 1.661 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.899 -19.124 1.136 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.701 -19.636 0.352 1.00 0.00 C ATOM 1608 CD GLN A 106 -3.060 -20.769 -0.589 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -3.253 -20.558 -1.787 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -3.151 -21.979 -0.052 1.00 0.00 N ATOM 0 H GLN A 106 -1.935 -18.388 3.263 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.870 -17.279 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.297 -19.935 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.684 -18.837 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.269 -18.816 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.934 -19.976 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.983 -22.108 0.946 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.389 -22.780 -0.637 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.778 -16.266 3.328 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.923 -15.445 3.705 1.00 0.00 C ATOM 1621 C VAL A 107 -6.304 -14.485 2.584 1.00 0.00 C ATOM 1622 O VAL A 107 -5.449 -14.037 1.819 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.636 -14.636 4.983 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.852 -13.811 5.378 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.219 -15.561 6.117 1.00 0.00 C ATOM 0 H VAL A 107 -3.942 -16.109 3.891 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.753 -16.126 3.893 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.812 -13.952 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.630 -13.246 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.101 -13.121 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.697 -14.474 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.020 -14.972 7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.020 -16.271 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.317 -16.103 5.832 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.592 -14.173 2.492 1.00 0.00 N ATOM 1636 CA ASP A 108 -8.087 -13.264 1.465 1.00 0.00 C ATOM 1637 C ASP A 108 -7.547 -11.853 1.681 1.00 0.00 C ATOM 1638 O ASP A 108 -7.970 -11.149 2.599 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.616 -13.244 1.465 1.00 0.00 C ATOM 1640 CG ASP A 108 -10.213 -14.637 1.475 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.646 -15.531 0.813 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -11.247 -14.834 2.147 1.00 0.00 O ATOM 0 H ASP A 108 -8.312 -14.536 3.116 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.736 -13.623 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.969 -12.694 2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.969 -12.707 0.585 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.610 -11.447 0.832 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.010 -10.121 0.931 1.00 0.00 C ATOM 1649 C LEU A 109 -6.640 -9.163 -0.076 1.00 0.00 C ATOM 1650 O LEU A 109 -6.547 -7.944 0.069 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.501 -10.203 0.698 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.714 -11.059 1.692 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.279 -11.239 1.223 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.750 -10.435 3.079 1.00 0.00 C ATOM 0 H LEU A 109 -6.249 -12.017 0.067 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.196 -9.739 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.329 -10.595 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.095 -9.192 0.719 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.182 -12.042 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.735 -11.851 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.273 -11.732 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.799 -10.264 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.185 -11.058 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.307 -9.440 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.783 -10.360 3.418 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.282 -9.722 -1.095 1.00 0.00 N ATOM 1667 CA LYS A 110 -7.931 -8.919 -2.125 1.00 0.00 C ATOM 1668 C LYS A 110 -9.178 -8.235 -1.576 1.00 0.00 C ATOM 1669 O LYS A 110 -9.600 -7.195 -2.081 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.302 -9.794 -3.325 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.147 -10.039 -4.280 1.00 0.00 C ATOM 1672 CD LYS A 110 -7.628 -10.617 -5.600 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.471 -11.156 -6.427 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.045 -12.508 -5.969 1.00 0.00 N ATOM 0 H LYS A 110 -7.367 -10.729 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.229 -8.150 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.673 -10.753 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.119 -9.321 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.620 -9.103 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.433 -10.723 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.344 -11.417 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.153 -9.847 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.765 -11.204 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.628 -10.468 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.255 -12.841 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.740 -12.458 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.842 -13.170 -6.054 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.763 -8.824 -0.537 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.962 -8.270 0.080 1.00 0.00 C ATOM 1690 C GLU A 111 -10.608 -7.455 1.320 1.00 0.00 C ATOM 1691 O GLU A 111 -11.397 -7.360 2.261 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.935 -9.390 0.453 1.00 0.00 C ATOM 1693 CG GLU A 111 -12.400 -10.214 -0.736 1.00 0.00 C ATOM 1694 CD GLU A 111 -13.476 -11.216 -0.367 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.207 -12.088 0.487 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -14.586 -11.129 -0.931 1.00 0.00 O ATOM 0 H GLU A 111 -9.426 -9.684 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.440 -7.610 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.456 -10.050 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.805 -8.955 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.780 -9.546 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.547 -10.743 -1.162 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.416 -6.868 1.315 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.955 -6.061 2.439 1.00 0.00 C ATOM 1705 C LEU A 112 -9.366 -4.602 2.266 1.00 0.00 C ATOM 1706 O LEU A 112 -8.788 -3.876 1.457 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.435 -6.162 2.577 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.900 -7.468 3.165 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.397 -7.571 2.957 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.243 -7.566 4.645 1.00 0.00 C ATOM 0 H LEU A 112 -8.751 -6.936 0.545 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.421 -6.446 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.991 -6.022 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.091 -5.338 3.202 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.376 -8.300 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.034 -8.507 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.175 -7.547 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.903 -6.733 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.855 -8.502 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.795 -6.728 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.325 -7.539 4.770 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.364 -4.179 3.034 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.850 -2.805 2.968 1.00 0.00 C ATOM 1724 C ASP A 113 -11.422 -2.367 4.312 1.00 0.00 C ATOM 1725 O ASP A 113 -12.510 -2.790 4.701 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.913 -2.669 1.878 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.292 -1.225 1.615 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -11.599 -0.567 0.812 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.281 -0.753 2.214 1.00 0.00 O ATOM 0 H ASP A 113 -10.852 -4.767 3.709 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.007 -2.158 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.543 -3.118 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.802 -3.227 2.170 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.682 -1.517 5.016 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.116 -1.023 6.318 1.00 0.00 C ATOM 1736 C GLN A 114 -12.550 -0.508 6.254 1.00 0.00 C ATOM 1737 O GLN A 114 -13.087 -0.267 5.172 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.183 0.089 6.802 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.657 0.768 8.077 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.802 -0.201 9.234 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -9.871 -0.934 9.566 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -11.976 -0.210 9.855 1.00 0.00 N ATOM 0 H GLN A 114 -9.779 -1.156 4.707 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.078 -1.852 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.190 -0.328 6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.085 0.838 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -9.951 1.552 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -11.616 1.253 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.721 0.415 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.133 -0.842 10.640 1.00 0.00 H new