USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=16 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 22 GLN : amide:sc= -0.33 K(o=-0.58,f=-2) USER MOD Set 1.2: A 25 GLN : amide:sc= -0.246 K(o=-0.58,f=-2.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0276 K(o=-0.028,f=-0.78) USER MOD Single : A 17 CYS SG : rot -106:sc= 0.4 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.122 (180deg=-0.611) USER MOD Single : A 20 SER OG : rot 28:sc= 0.218 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.649 K(o=-0.65,f=-3.1!) USER MOD Single : A 27 TYR OH : rot -1:sc= -3.58! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 52:sc= 0.563 USER MOD Single : A 40 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.015) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= -0.159 (180deg=-1.04) USER MOD Single : A 66 ASN : amide:sc= -0.0731 X(o=-0.073,f=-0.065) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.155 (180deg=-0.649) USER MOD Single : A 75 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.69) USER MOD Single : A 77 GLN : amide:sc= -0.567 K(o=-0.57,f=-1.5!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -140:sc= -0.787 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 SER OG : rot 30:sc= 0.0597 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= -0.655 (180deg=-2.29!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 106 GLN : amide:sc=-0.00359 X(o=-0.0036,f=-0.16) USER MOD Single : A 110 LYS NZ :NH3+ -160:sc= 0.346 (180deg=0.195) USER MOD Single : A 114 GLN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.586 -11.744 8.039 1.00 0.00 N ATOM 105 CA THR A 11 -10.242 -10.429 7.512 1.00 0.00 C ATOM 106 C THR A 11 -9.429 -9.627 8.521 1.00 0.00 C ATOM 107 O THR A 11 -9.690 -9.677 9.723 1.00 0.00 O ATOM 108 CB THR A 11 -11.502 -9.629 7.132 1.00 0.00 C ATOM 109 OG1 THR A 11 -11.129 -8.382 6.535 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.369 -9.373 8.355 1.00 0.00 C ATOM 0 HA THR A 11 -9.642 -10.595 6.617 1.00 0.00 H new ATOM 0 HB THR A 11 -12.077 -10.216 6.416 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.936 -7.880 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.253 -8.807 8.062 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.675 -10.325 8.790 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.801 -8.804 9.091 1.00 0.00 H new ATOM 118 N PHE A 12 -8.443 -8.887 8.026 1.00 0.00 N ATOM 119 CA PHE A 12 -7.591 -8.073 8.885 1.00 0.00 C ATOM 120 C PHE A 12 -8.054 -6.619 8.890 1.00 0.00 C ATOM 121 O PHE A 12 -8.908 -6.226 8.097 1.00 0.00 O ATOM 122 CB PHE A 12 -6.135 -8.155 8.422 1.00 0.00 C ATOM 123 CG PHE A 12 -5.576 -9.549 8.446 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.751 -10.399 7.366 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.875 -10.010 9.549 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.238 -11.682 7.386 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.360 -11.292 9.575 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.541 -12.129 8.491 1.00 0.00 C ATOM 0 H PHE A 12 -8.214 -8.834 7.033 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.664 -8.463 9.900 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.062 -7.760 7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.523 -7.516 9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.295 -10.055 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.729 -9.359 10.399 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.382 -12.335 6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.817 -11.639 10.442 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.138 -13.131 8.508 1.00 0.00 H new ATOM 138 N ASN A 13 -7.484 -5.826 9.792 1.00 0.00 N ATOM 139 CA ASN A 13 -7.838 -4.416 9.902 1.00 0.00 C ATOM 140 C ASN A 13 -6.682 -3.528 9.450 1.00 0.00 C ATOM 141 O ASN A 13 -5.876 -3.059 10.253 1.00 0.00 O ATOM 142 CB ASN A 13 -8.223 -4.076 11.343 1.00 0.00 C ATOM 143 CG ASN A 13 -9.104 -5.139 11.972 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.890 -5.794 11.287 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.976 -5.314 13.282 1.00 0.00 N ATOM 0 H ASN A 13 -6.775 -6.136 10.457 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.692 -4.230 9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.319 -3.958 11.940 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.744 -3.119 11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.542 -6.014 13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.311 -4.748 13.810 1.00 0.00 H new ATOM 152 N PRO A 14 -6.599 -3.290 8.132 1.00 0.00 N ATOM 153 CA PRO A 14 -5.548 -2.456 7.543 1.00 0.00 C ATOM 154 C PRO A 14 -5.709 -0.982 7.899 1.00 0.00 C ATOM 155 O PRO A 14 -6.824 -0.500 8.100 1.00 0.00 O ATOM 156 CB PRO A 14 -5.730 -2.665 6.038 1.00 0.00 C ATOM 157 CG PRO A 14 -7.162 -3.043 5.879 1.00 0.00 C ATOM 158 CD PRO A 14 -7.527 -3.816 7.116 1.00 0.00 C ATOM 0 HA PRO A 14 -4.558 -2.730 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.496 -1.758 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.070 -3.448 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.790 -2.158 5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.309 -3.647 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.567 -3.654 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.399 -4.889 6.972 1.00 0.00 H new ATOM 166 N ARG A 15 -4.589 -0.270 7.976 1.00 0.00 N ATOM 167 CA ARG A 15 -4.607 1.149 8.308 1.00 0.00 C ATOM 168 C ARG A 15 -4.705 2.002 7.046 1.00 0.00 C ATOM 169 O ARG A 15 -3.882 1.881 6.140 1.00 0.00 O ATOM 170 CB ARG A 15 -3.351 1.527 9.096 1.00 0.00 C ATOM 171 CG ARG A 15 -3.453 1.229 10.583 1.00 0.00 C ATOM 172 CD ARG A 15 -2.085 0.967 11.193 1.00 0.00 C ATOM 173 NE ARG A 15 -2.163 0.082 12.353 1.00 0.00 N ATOM 174 CZ ARG A 15 -2.649 0.456 13.531 1.00 0.00 C ATOM 175 NH1 ARG A 15 -3.098 1.691 13.705 1.00 0.00 N ATOM 176 NH2 ARG A 15 -2.687 -0.407 14.538 1.00 0.00 N ATOM 0 H ARG A 15 -3.658 -0.653 7.813 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.485 1.341 8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.498 0.988 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.153 2.590 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.925 2.069 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.094 0.361 10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.432 0.523 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.633 1.914 11.489 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.826 -0.875 12.253 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.071 2.357 12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.471 1.975 14.611 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.343 -1.358 14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.060 -0.119 15.443 1.00 0.00 H new ATOM 190 N GLU A 16 -5.716 2.863 6.997 1.00 0.00 N ATOM 191 CA GLU A 16 -5.921 3.735 5.846 1.00 0.00 C ATOM 192 C GLU A 16 -5.186 5.060 6.029 1.00 0.00 C ATOM 193 O GLU A 16 -5.508 5.841 6.925 1.00 0.00 O ATOM 194 CB GLU A 16 -7.414 3.992 5.632 1.00 0.00 C ATOM 195 CG GLU A 16 -7.722 4.776 4.367 1.00 0.00 C ATOM 196 CD GLU A 16 -9.209 4.871 4.087 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.874 3.815 4.046 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.707 6.003 3.909 1.00 0.00 O ATOM 0 H GLU A 16 -6.406 2.976 7.740 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.517 3.234 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.937 3.036 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.807 4.536 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.308 5.780 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.226 4.301 3.520 1.00 0.00 H new ATOM 205 N CYS A 17 -4.199 5.305 5.175 1.00 0.00 N ATOM 206 CA CYS A 17 -3.417 6.534 5.242 1.00 0.00 C ATOM 207 C CYS A 17 -3.864 7.522 4.170 1.00 0.00 C ATOM 208 O CYS A 17 -4.181 7.134 3.045 1.00 0.00 O ATOM 209 CB CYS A 17 -1.928 6.226 5.081 1.00 0.00 C ATOM 210 SG CYS A 17 -1.195 5.365 6.492 1.00 0.00 S ATOM 0 H CYS A 17 -3.921 4.669 4.428 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.582 6.987 6.219 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.788 5.619 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.390 7.160 4.920 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.457 6.193 7.170 1.00 0.00 H new ATOM 216 N LYS A 18 -3.888 8.802 4.525 1.00 0.00 N ATOM 217 CA LYS A 18 -4.296 9.848 3.594 1.00 0.00 C ATOM 218 C LYS A 18 -3.148 10.816 3.326 1.00 0.00 C ATOM 219 O LYS A 18 -2.916 11.748 4.096 1.00 0.00 O ATOM 220 CB LYS A 18 -5.501 10.610 4.148 1.00 0.00 C ATOM 221 CG LYS A 18 -6.827 9.909 3.908 1.00 0.00 C ATOM 222 CD LYS A 18 -7.394 10.243 2.538 1.00 0.00 C ATOM 223 CE LYS A 18 -8.869 9.882 2.442 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.693 10.656 3.411 1.00 0.00 N ATOM 0 H LYS A 18 -3.629 9.141 5.452 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.575 9.374 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.366 10.757 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.535 11.600 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.690 8.831 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.539 10.202 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.265 11.307 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.836 9.706 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.224 10.073 1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.995 8.815 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.674 10.707 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.673 10.185 4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.308 11.618 3.503 1.00 0.00 H new ATOM 238 N LEU A 19 -2.434 10.590 2.228 1.00 0.00 N ATOM 239 CA LEU A 19 -1.310 11.444 1.857 1.00 0.00 C ATOM 240 C LEU A 19 -1.794 12.693 1.127 1.00 0.00 C ATOM 241 O LEU A 19 -2.736 12.636 0.337 1.00 0.00 O ATOM 242 CB LEU A 19 -0.327 10.672 0.976 1.00 0.00 C ATOM 243 CG LEU A 19 0.783 9.917 1.709 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.267 8.586 2.233 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.979 9.706 0.793 1.00 0.00 C ATOM 0 H LEU A 19 -2.613 9.823 1.580 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.803 11.754 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.891 9.957 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.136 11.374 0.282 1.00 0.00 H new ATOM 0 HG LEU A 19 1.105 10.518 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.071 8.063 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.557 8.762 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.083 7.978 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.759 9.167 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.673 9.126 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.364 10.673 0.468 1.00 0.00 H new ATOM 257 N SER A 20 -1.140 13.819 1.395 1.00 0.00 N ATOM 258 CA SER A 20 -1.504 15.082 0.764 1.00 0.00 C ATOM 259 C SER A 20 -0.261 15.836 0.301 1.00 0.00 C ATOM 260 O SER A 20 0.645 16.108 1.089 1.00 0.00 O ATOM 261 CB SER A 20 -2.307 15.949 1.736 1.00 0.00 C ATOM 262 OG SER A 20 -1.564 16.219 2.912 1.00 0.00 O ATOM 0 H SER A 20 -0.356 13.882 2.044 1.00 0.00 H new ATOM 0 HA SER A 20 -2.119 14.860 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.580 16.886 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.236 15.443 1.997 1.00 0.00 H new ATOM 0 HG SER A 20 -0.606 16.204 2.705 1.00 0.00 H new ATOM 268 N LYS A 21 -0.225 16.171 -0.984 1.00 0.00 N ATOM 269 CA LYS A 21 0.905 16.894 -1.555 1.00 0.00 C ATOM 270 C LYS A 21 0.434 18.141 -2.297 1.00 0.00 C ATOM 271 O LYS A 21 -0.720 18.224 -2.718 1.00 0.00 O ATOM 272 CB LYS A 21 1.690 15.988 -2.506 1.00 0.00 C ATOM 273 CG LYS A 21 0.844 15.402 -3.624 1.00 0.00 C ATOM 274 CD LYS A 21 1.693 14.624 -4.615 1.00 0.00 C ATOM 275 CE LYS A 21 2.193 15.515 -5.742 1.00 0.00 C ATOM 276 NZ LYS A 21 1.151 15.727 -6.785 1.00 0.00 N ATOM 0 H LYS A 21 -0.966 15.953 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 21 1.556 17.203 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.510 16.557 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.136 15.174 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.084 14.746 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.319 16.204 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.543 14.179 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.108 13.803 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.500 16.478 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.076 15.065 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.530 16.339 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.876 14.810 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.318 16.180 -6.357 1.00 0.00 H new ATOM 290 N GLN A 22 1.334 19.106 -2.455 1.00 0.00 N ATOM 291 CA GLN A 22 1.009 20.348 -3.147 1.00 0.00 C ATOM 292 C GLN A 22 1.156 20.184 -4.656 1.00 0.00 C ATOM 293 O GLN A 22 1.560 19.126 -5.138 1.00 0.00 O ATOM 294 CB GLN A 22 1.910 21.482 -2.655 1.00 0.00 C ATOM 295 CG GLN A 22 1.583 21.950 -1.246 1.00 0.00 C ATOM 296 CD GLN A 22 2.252 21.105 -0.180 1.00 0.00 C ATOM 297 OE1 GLN A 22 3.437 21.274 0.109 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.494 20.189 0.411 1.00 0.00 N ATOM 0 H GLN A 22 2.294 19.052 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.029 20.597 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.948 21.151 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.824 22.326 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.895 22.988 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.503 21.924 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.516 20.084 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.889 19.591 1.136 1.00 0.00 H new ATOM 307 N GLU A 23 0.826 21.238 -5.396 1.00 0.00 N ATOM 308 CA GLU A 23 0.921 21.209 -6.851 1.00 0.00 C ATOM 309 C GLU A 23 2.345 21.509 -7.309 1.00 0.00 C ATOM 310 O GLU A 23 2.814 22.642 -7.215 1.00 0.00 O ATOM 311 CB GLU A 23 -0.048 22.220 -7.467 1.00 0.00 C ATOM 312 CG GLU A 23 0.355 22.679 -8.859 1.00 0.00 C ATOM 313 CD GLU A 23 0.216 21.583 -9.897 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.018 20.626 -9.862 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.695 21.683 -10.746 1.00 0.00 O ATOM 0 H GLU A 23 0.491 22.122 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 23 0.653 20.208 -7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.042 21.776 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.118 23.089 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.261 23.530 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.388 23.026 -8.838 1.00 0.00 H new ATOM 322 N GLY A 24 3.029 20.482 -7.805 1.00 0.00 N ATOM 323 CA GLY A 24 4.393 20.655 -8.270 1.00 0.00 C ATOM 324 C GLY A 24 5.398 19.921 -7.405 1.00 0.00 C ATOM 325 O GLY A 24 6.411 19.428 -7.901 1.00 0.00 O ATOM 0 H GLY A 24 2.663 19.534 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.472 20.297 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.637 21.717 -8.283 1.00 0.00 H new ATOM 329 N GLN A 25 5.119 19.850 -6.107 1.00 0.00 N ATOM 330 CA GLN A 25 6.008 19.173 -5.171 1.00 0.00 C ATOM 331 C GLN A 25 5.694 17.682 -5.103 1.00 0.00 C ATOM 332 O GLN A 25 4.551 17.269 -5.293 1.00 0.00 O ATOM 333 CB GLN A 25 5.887 19.796 -3.779 1.00 0.00 C ATOM 334 CG GLN A 25 6.936 19.299 -2.797 1.00 0.00 C ATOM 335 CD GLN A 25 6.639 19.710 -1.368 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.522 20.116 -1.047 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.639 19.605 -0.501 1.00 0.00 N ATOM 0 H GLN A 25 4.285 20.253 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 25 7.031 19.294 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.968 20.879 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.896 19.581 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.995 18.212 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.912 19.687 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.549 19.263 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.497 19.866 0.475 1.00 0.00 H new ATOM 346 N ASN A 26 6.717 16.879 -4.830 1.00 0.00 N ATOM 347 CA ASN A 26 6.551 15.433 -4.738 1.00 0.00 C ATOM 348 C ASN A 26 6.000 15.035 -3.372 1.00 0.00 C ATOM 349 O ASN A 26 5.899 15.863 -2.467 1.00 0.00 O ATOM 350 CB ASN A 26 7.885 14.728 -4.988 1.00 0.00 C ATOM 351 CG ASN A 26 8.916 15.047 -3.922 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.646 15.802 -2.988 1.00 0.00 O ATOM 353 ND2 ASN A 26 10.105 14.471 -4.057 1.00 0.00 N ATOM 0 H ASN A 26 7.670 17.205 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 26 5.837 15.125 -5.502 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.723 13.651 -5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.272 15.023 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.838 14.648 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.285 13.852 -4.847 1.00 0.00 H new ATOM 360 N TYR A 27 5.645 13.762 -3.232 1.00 0.00 N ATOM 361 CA TYR A 27 5.103 13.254 -1.977 1.00 0.00 C ATOM 362 C TYR A 27 6.202 13.104 -0.930 1.00 0.00 C ATOM 363 O TYR A 27 5.999 13.400 0.247 1.00 0.00 O ATOM 364 CB TYR A 27 4.412 11.909 -2.204 1.00 0.00 C ATOM 365 CG TYR A 27 2.943 12.032 -2.542 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.056 12.640 -1.663 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.443 11.541 -3.742 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.713 12.753 -1.968 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.103 11.651 -4.056 1.00 0.00 C ATOM 370 CZ TYR A 27 0.242 12.258 -3.166 1.00 0.00 C ATOM 371 OH TYR A 27 -1.095 12.371 -3.474 1.00 0.00 O ATOM 0 H TYR A 27 5.723 13.064 -3.971 1.00 0.00 H new ATOM 0 HA TYR A 27 4.372 13.973 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.919 11.381 -3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.520 11.299 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.422 13.031 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.114 11.065 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.036 13.226 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.731 11.264 -4.993 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.565 12.810 -2.734 1.00 0.00 H new ATOM 381 N GLY A 28 7.369 12.642 -1.368 1.00 0.00 N ATOM 382 CA GLY A 28 8.484 12.460 -0.457 1.00 0.00 C ATOM 383 C GLY A 28 8.871 11.003 -0.298 1.00 0.00 C ATOM 384 O GLY A 28 10.017 10.690 0.027 1.00 0.00 O ATOM 0 H GLY A 28 7.562 12.390 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.343 13.023 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.224 12.872 0.518 1.00 0.00 H new ATOM 388 N PHE A 29 7.914 10.110 -0.524 1.00 0.00 N ATOM 389 CA PHE A 29 8.159 8.678 -0.401 1.00 0.00 C ATOM 390 C PHE A 29 8.161 8.007 -1.772 1.00 0.00 C ATOM 391 O PHE A 29 7.466 8.443 -2.690 1.00 0.00 O ATOM 392 CB PHE A 29 7.100 8.032 0.495 1.00 0.00 C ATOM 393 CG PHE A 29 5.878 7.581 -0.252 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.974 8.504 -0.751 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.633 6.232 -0.455 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.848 8.091 -1.439 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.510 5.813 -1.143 1.00 0.00 C ATOM 398 CZ PHE A 29 3.615 6.744 -1.634 1.00 0.00 C ATOM 0 H PHE A 29 6.961 10.353 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 29 9.140 8.540 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.541 7.176 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.803 8.744 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.151 9.559 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.328 5.500 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.151 8.821 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.332 4.759 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.735 6.419 -2.169 1.00 0.00 H new ATOM 408 N PHE A 30 8.946 6.943 -1.902 1.00 0.00 N ATOM 409 CA PHE A 30 9.040 6.211 -3.160 1.00 0.00 C ATOM 410 C PHE A 30 8.784 4.722 -2.943 1.00 0.00 C ATOM 411 O PHE A 30 9.132 4.166 -1.901 1.00 0.00 O ATOM 412 CB PHE A 30 10.418 6.416 -3.792 1.00 0.00 C ATOM 413 CG PHE A 30 10.922 7.827 -3.686 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.189 8.880 -4.208 1.00 0.00 C ATOM 415 CD2 PHE A 30 12.130 8.100 -3.064 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.650 10.179 -4.112 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.596 9.397 -2.964 1.00 0.00 C ATOM 418 CZ PHE A 30 11.855 10.438 -3.490 1.00 0.00 C ATOM 0 H PHE A 30 9.526 6.568 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 30 8.277 6.599 -3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.132 5.747 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.372 6.133 -4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.246 8.683 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.714 7.290 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.068 10.991 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.538 9.597 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.218 11.452 -3.415 1.00 0.00 H new ATOM 428 N LEU A 31 8.172 4.083 -3.935 1.00 0.00 N ATOM 429 CA LEU A 31 7.868 2.659 -3.854 1.00 0.00 C ATOM 430 C LEU A 31 9.028 1.823 -4.385 1.00 0.00 C ATOM 431 O LEU A 31 9.240 1.735 -5.595 1.00 0.00 O ATOM 432 CB LEU A 31 6.595 2.344 -4.642 1.00 0.00 C ATOM 433 CG LEU A 31 5.303 2.958 -4.103 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.315 3.199 -5.234 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.689 2.060 -3.039 1.00 0.00 C ATOM 0 H LEU A 31 7.877 4.529 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 31 7.712 2.405 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.734 2.683 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.472 1.262 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 31 5.542 3.918 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.401 3.636 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.754 3.881 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.081 2.252 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.770 2.513 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.464 1.085 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.393 1.938 -2.216 1.00 0.00 H new ATOM 447 N ARG A 32 9.776 1.211 -3.473 1.00 0.00 N ATOM 448 CA ARG A 32 10.914 0.381 -3.849 1.00 0.00 C ATOM 449 C ARG A 32 10.576 -1.100 -3.713 1.00 0.00 C ATOM 450 O ARG A 32 9.604 -1.467 -3.051 1.00 0.00 O ATOM 451 CB ARG A 32 12.128 0.720 -2.982 1.00 0.00 C ATOM 452 CG ARG A 32 12.620 2.148 -3.154 1.00 0.00 C ATOM 453 CD ARG A 32 13.571 2.271 -4.334 1.00 0.00 C ATOM 454 NE ARG A 32 12.866 2.575 -5.576 1.00 0.00 N ATOM 455 CZ ARG A 32 13.349 2.298 -6.782 1.00 0.00 C ATOM 456 NH1 ARG A 32 14.533 1.713 -6.907 1.00 0.00 N ATOM 457 NH2 ARG A 32 12.648 2.605 -7.866 1.00 0.00 N ATOM 0 H ARG A 32 9.614 1.274 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 32 11.152 0.587 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.873 0.556 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.939 0.034 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.768 2.812 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.124 2.473 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.301 3.054 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.126 1.340 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 32 11.953 3.025 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.074 1.475 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.902 1.501 -7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.737 3.054 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.020 2.392 -8.791 1.00 0.00 H new ATOM 471 N ILE A 33 11.383 -1.947 -4.343 1.00 0.00 N ATOM 472 CA ILE A 33 11.169 -3.388 -4.292 1.00 0.00 C ATOM 473 C ILE A 33 12.370 -4.100 -3.679 1.00 0.00 C ATOM 474 O ILE A 33 13.518 -3.749 -3.953 1.00 0.00 O ATOM 475 CB ILE A 33 10.902 -3.968 -5.693 1.00 0.00 C ATOM 476 CG1 ILE A 33 12.080 -3.672 -6.624 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.612 -3.399 -6.265 1.00 0.00 C ATOM 478 CD1 ILE A 33 12.029 -4.440 -7.926 1.00 0.00 C ATOM 0 H ILE A 33 12.191 -1.660 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 33 10.292 -3.555 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 33 10.793 -5.049 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.101 -2.604 -6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.010 -3.910 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.437 -3.819 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.779 -3.656 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.694 -2.315 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.895 -4.181 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.039 -5.510 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.116 -4.184 -8.464 1.00 0.00 H new ATOM 490 N GLU A 34 12.098 -5.103 -2.850 1.00 0.00 N ATOM 491 CA GLU A 34 13.157 -5.865 -2.200 1.00 0.00 C ATOM 492 C GLU A 34 13.324 -7.233 -2.855 1.00 0.00 C ATOM 493 O GLU A 34 12.460 -7.683 -3.608 1.00 0.00 O ATOM 494 CB GLU A 34 12.853 -6.035 -0.710 1.00 0.00 C ATOM 495 CG GLU A 34 13.406 -4.915 0.156 1.00 0.00 C ATOM 496 CD GLU A 34 13.266 -5.201 1.638 1.00 0.00 C ATOM 497 OE1 GLU A 34 13.838 -6.208 2.106 1.00 0.00 O ATOM 498 OE2 GLU A 34 12.585 -4.417 2.331 1.00 0.00 O ATOM 0 H GLU A 34 11.153 -5.406 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 34 14.089 -5.311 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.773 -6.090 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.267 -6.984 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.458 -4.762 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.887 -3.987 -0.082 1.00 0.00 H new ATOM 505 N LYS A 35 14.441 -7.890 -2.564 1.00 0.00 N ATOM 506 CA LYS A 35 14.723 -9.207 -3.123 1.00 0.00 C ATOM 507 C LYS A 35 13.887 -10.281 -2.434 1.00 0.00 C ATOM 508 O LYS A 35 13.751 -10.285 -1.211 1.00 0.00 O ATOM 509 CB LYS A 35 16.211 -9.536 -2.981 1.00 0.00 C ATOM 510 CG LYS A 35 17.089 -8.835 -4.003 1.00 0.00 C ATOM 511 CD LYS A 35 18.550 -9.224 -3.844 1.00 0.00 C ATOM 512 CE LYS A 35 19.476 -8.143 -4.380 1.00 0.00 C ATOM 513 NZ LYS A 35 19.356 -7.992 -5.857 1.00 0.00 N ATOM 0 H LYS A 35 15.167 -7.532 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 35 14.460 -9.189 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.542 -9.260 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.347 -10.613 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.752 -9.088 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.985 -7.755 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.768 -9.402 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.738 -10.160 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.243 -7.194 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.507 -8.387 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.003 -7.246 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.603 -8.891 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.379 -7.734 -6.101 1.00 0.00 H new ATOM 527 N ASP A 36 13.330 -11.189 -3.228 1.00 0.00 N ATOM 528 CA ASP A 36 12.509 -12.270 -2.694 1.00 0.00 C ATOM 529 C ASP A 36 11.492 -11.735 -1.691 1.00 0.00 C ATOM 530 O ASP A 36 11.282 -12.322 -0.629 1.00 0.00 O ATOM 531 CB ASP A 36 13.390 -13.329 -2.030 1.00 0.00 C ATOM 532 CG ASP A 36 14.335 -13.994 -3.012 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.845 -14.623 -3.973 1.00 0.00 O ATOM 534 OD2 ASP A 36 15.563 -13.885 -2.819 1.00 0.00 O ATOM 0 H ASP A 36 13.432 -11.198 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 36 11.969 -12.727 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.968 -12.867 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.757 -14.087 -1.569 1.00 0.00 H new ATOM 539 N THR A 37 10.862 -10.615 -2.034 1.00 0.00 N ATOM 540 CA THR A 37 9.869 -9.999 -1.163 1.00 0.00 C ATOM 541 C THR A 37 8.559 -9.760 -1.906 1.00 0.00 C ATOM 542 O THR A 37 8.555 -9.265 -3.033 1.00 0.00 O ATOM 543 CB THR A 37 10.374 -8.661 -0.593 1.00 0.00 C ATOM 544 OG1 THR A 37 11.680 -8.830 -0.029 1.00 0.00 O ATOM 545 CG2 THR A 37 9.423 -8.131 0.470 1.00 0.00 C ATOM 0 H THR A 37 11.022 -10.116 -2.909 1.00 0.00 H new ATOM 0 HA THR A 37 9.696 -10.693 -0.341 1.00 0.00 H new ATOM 0 HB THR A 37 10.421 -7.939 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.268 -9.255 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.801 -7.185 0.858 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.437 -7.975 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.348 -8.852 1.284 1.00 0.00 H new ATOM 553 N ASP A 38 7.449 -10.114 -1.267 1.00 0.00 N ATOM 554 CA ASP A 38 6.132 -9.936 -1.867 1.00 0.00 C ATOM 555 C ASP A 38 5.536 -8.586 -1.479 1.00 0.00 C ATOM 556 O ASP A 38 5.736 -8.106 -0.364 1.00 0.00 O ATOM 557 CB ASP A 38 5.195 -11.065 -1.436 1.00 0.00 C ATOM 558 CG ASP A 38 5.377 -12.318 -2.269 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.334 -12.215 -3.513 1.00 0.00 O ATOM 560 OD2 ASP A 38 5.561 -13.402 -1.678 1.00 0.00 O ATOM 0 H ASP A 38 7.435 -10.526 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 38 6.247 -9.964 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.373 -11.301 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.162 -10.726 -1.515 1.00 0.00 H new ATOM 565 N GLY A 39 4.803 -7.979 -2.407 1.00 0.00 N ATOM 566 CA GLY A 39 4.190 -6.690 -2.143 1.00 0.00 C ATOM 567 C GLY A 39 5.185 -5.549 -2.218 1.00 0.00 C ATOM 568 O GLY A 39 6.395 -5.764 -2.138 1.00 0.00 O ATOM 0 H GLY A 39 4.623 -8.357 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.389 -6.518 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.732 -6.704 -1.154 1.00 0.00 H new ATOM 572 N HIS A 40 4.676 -4.331 -2.373 1.00 0.00 N ATOM 573 CA HIS A 40 5.528 -3.151 -2.460 1.00 0.00 C ATOM 574 C HIS A 40 5.806 -2.578 -1.074 1.00 0.00 C ATOM 575 O HIS A 40 4.968 -2.666 -0.175 1.00 0.00 O ATOM 576 CB HIS A 40 4.875 -2.088 -3.343 1.00 0.00 C ATOM 577 CG HIS A 40 4.974 -2.382 -4.808 1.00 0.00 C ATOM 578 ND1 HIS A 40 6.166 -2.362 -5.501 1.00 0.00 N ATOM 579 CD2 HIS A 40 4.020 -2.705 -5.713 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.941 -2.660 -6.768 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.647 -2.873 -6.923 1.00 0.00 N ATOM 0 H HIS A 40 3.677 -4.136 -2.441 1.00 0.00 H new ATOM 0 HA HIS A 40 6.476 -3.450 -2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.824 -1.996 -3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.342 -1.124 -3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.963 -2.811 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.688 -2.719 -7.545 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.188 -3.122 -7.799 1.00 0.00 H new ATOM 590 N LEU A 41 6.986 -1.993 -0.906 1.00 0.00 N ATOM 591 CA LEU A 41 7.375 -1.405 0.371 1.00 0.00 C ATOM 592 C LEU A 41 7.750 0.064 0.204 1.00 0.00 C ATOM 593 O LEU A 41 8.153 0.492 -0.878 1.00 0.00 O ATOM 594 CB LEU A 41 8.550 -2.178 0.974 1.00 0.00 C ATOM 595 CG LEU A 41 8.279 -3.640 1.332 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.396 -4.522 0.099 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.235 -4.109 2.418 1.00 0.00 C ATOM 0 H LEU A 41 7.691 -1.913 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 41 6.522 -1.468 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.380 -2.145 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.876 -1.659 1.875 1.00 0.00 H new ATOM 0 HG LEU A 41 7.261 -3.718 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.200 -5.559 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.670 -4.201 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.402 -4.440 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.028 -5.151 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.262 -4.016 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.102 -3.496 3.309 1.00 0.00 H new ATOM 609 N ILE A 42 7.617 0.829 1.282 1.00 0.00 N ATOM 610 CA ILE A 42 7.945 2.249 1.255 1.00 0.00 C ATOM 611 C ILE A 42 9.355 2.498 1.780 1.00 0.00 C ATOM 612 O ILE A 42 9.702 2.071 2.881 1.00 0.00 O ATOM 613 CB ILE A 42 6.946 3.074 2.088 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.580 3.106 1.401 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.472 4.486 2.300 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.692 1.937 1.765 1.00 0.00 C ATOM 0 H ILE A 42 7.285 0.490 2.185 1.00 0.00 H new ATOM 0 HA ILE A 42 7.886 2.566 0.214 1.00 0.00 H new ATOM 0 HB ILE A 42 6.830 2.600 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.072 4.034 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.726 3.118 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.755 5.057 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.425 4.444 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.614 4.970 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.740 2.026 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.180 1.006 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.515 1.935 2.841 1.00 0.00 H new ATOM 628 N ARG A 43 10.163 3.192 0.985 1.00 0.00 N ATOM 629 CA ARG A 43 11.535 3.498 1.369 1.00 0.00 C ATOM 630 C ARG A 43 11.913 4.916 0.951 1.00 0.00 C ATOM 631 O ARG A 43 11.306 5.491 0.048 1.00 0.00 O ATOM 632 CB ARG A 43 12.501 2.494 0.737 1.00 0.00 C ATOM 633 CG ARG A 43 12.404 1.099 1.332 1.00 0.00 C ATOM 634 CD ARG A 43 13.342 0.931 2.517 1.00 0.00 C ATOM 635 NE ARG A 43 14.710 0.645 2.095 1.00 0.00 N ATOM 636 CZ ARG A 43 15.122 -0.556 1.702 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.275 -1.575 1.676 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.384 -0.738 1.333 1.00 0.00 N ATOM 0 H ARG A 43 9.891 3.553 0.071 1.00 0.00 H new ATOM 0 HA ARG A 43 11.606 3.426 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.304 2.438 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.521 2.860 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.379 0.908 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.645 0.359 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.331 1.839 3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.982 0.122 3.153 1.00 0.00 H new ATOM 0 HE ARG A 43 15.386 1.408 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.304 -1.439 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.594 -2.496 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.038 0.044 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.699 -1.660 1.032 1.00 0.00 H new ATOM 652 N VAL A 44 12.921 5.475 1.615 1.00 0.00 N ATOM 653 CA VAL A 44 13.380 6.825 1.313 1.00 0.00 C ATOM 654 C VAL A 44 12.372 7.867 1.783 1.00 0.00 C ATOM 655 O VAL A 44 11.981 8.754 1.023 1.00 0.00 O ATOM 656 CB VAL A 44 13.627 7.009 -0.196 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.715 8.044 -0.438 1.00 0.00 C ATOM 658 CG2 VAL A 44 13.990 5.680 -0.842 1.00 0.00 C ATOM 0 H VAL A 44 13.435 5.013 2.365 1.00 0.00 H new ATOM 0 HA VAL A 44 14.319 6.967 1.847 1.00 0.00 H new ATOM 0 HB VAL A 44 12.707 7.371 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.875 8.160 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.410 8.999 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.641 7.715 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.161 5.828 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 44 14.896 5.286 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.174 4.972 -0.701 1.00 0.00 H new ATOM 668 N ILE A 45 11.956 7.754 3.040 1.00 0.00 N ATOM 669 CA ILE A 45 10.994 8.688 3.612 1.00 0.00 C ATOM 670 C ILE A 45 11.676 9.979 4.054 1.00 0.00 C ATOM 671 O ILE A 45 12.361 10.011 5.075 1.00 0.00 O ATOM 672 CB ILE A 45 10.258 8.072 4.816 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.545 6.783 4.401 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.267 9.068 5.398 1.00 0.00 C ATOM 675 CD1 ILE A 45 9.019 5.980 5.569 1.00 0.00 C ATOM 0 H ILE A 45 12.270 7.026 3.681 1.00 0.00 H new ATOM 0 HA ILE A 45 10.269 8.912 2.829 1.00 0.00 H new ATOM 0 HB ILE A 45 10.991 7.828 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.715 7.033 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.235 6.165 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.755 8.617 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.799 9.961 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.536 9.341 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.526 5.081 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.847 5.699 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.304 6.581 6.131 1.00 0.00 H new ATOM 687 N GLU A 46 11.482 11.040 3.277 1.00 0.00 N ATOM 688 CA GLU A 46 12.078 12.334 3.590 1.00 0.00 C ATOM 689 C GLU A 46 11.476 12.916 4.866 1.00 0.00 C ATOM 690 O GLU A 46 10.317 12.662 5.189 1.00 0.00 O ATOM 691 CB GLU A 46 11.877 13.307 2.427 1.00 0.00 C ATOM 692 CG GLU A 46 12.950 14.379 2.338 1.00 0.00 C ATOM 693 CD GLU A 46 12.727 15.334 1.181 1.00 0.00 C ATOM 694 OE1 GLU A 46 12.491 14.853 0.053 1.00 0.00 O ATOM 695 OE2 GLU A 46 12.789 16.561 1.404 1.00 0.00 O ATOM 0 H GLU A 46 10.918 11.029 2.427 1.00 0.00 H new ATOM 0 HA GLU A 46 13.146 12.185 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.858 12.745 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.904 13.787 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.973 14.943 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.925 13.904 2.229 1.00 0.00 H new ATOM 702 N GLU A 47 12.274 13.698 5.586 1.00 0.00 N ATOM 703 CA GLU A 47 11.821 14.316 6.827 1.00 0.00 C ATOM 704 C GLU A 47 10.868 15.473 6.542 1.00 0.00 C ATOM 705 O GLU A 47 11.038 16.207 5.569 1.00 0.00 O ATOM 706 CB GLU A 47 13.016 14.814 7.641 1.00 0.00 C ATOM 707 CG GLU A 47 12.773 14.813 9.141 1.00 0.00 C ATOM 708 CD GLU A 47 11.609 15.696 9.544 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.735 16.933 9.426 1.00 0.00 O ATOM 710 OE2 GLU A 47 10.572 15.152 9.977 1.00 0.00 O ATOM 0 H GLU A 47 13.237 13.919 5.332 1.00 0.00 H new ATOM 0 HA GLU A 47 11.287 13.562 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.881 14.188 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.266 15.826 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.582 13.793 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.675 15.151 9.652 1.00 0.00 H new ATOM 717 N GLY A 48 9.863 15.629 7.398 1.00 0.00 N ATOM 718 CA GLY A 48 8.897 16.698 7.222 1.00 0.00 C ATOM 719 C GLY A 48 8.116 16.566 5.929 1.00 0.00 C ATOM 720 O GLY A 48 7.636 17.559 5.382 1.00 0.00 O ATOM 0 H GLY A 48 9.700 15.034 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.204 16.699 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.415 17.657 7.234 1.00 0.00 H new ATOM 724 N SER A 49 7.990 15.337 5.438 1.00 0.00 N ATOM 725 CA SER A 49 7.267 15.080 4.198 1.00 0.00 C ATOM 726 C SER A 49 5.815 14.709 4.483 1.00 0.00 C ATOM 727 O SER A 49 5.472 14.217 5.558 1.00 0.00 O ATOM 728 CB SER A 49 7.946 13.957 3.411 1.00 0.00 C ATOM 729 OG SER A 49 7.420 12.692 3.769 1.00 0.00 O ATOM 0 H SER A 49 8.379 14.504 5.880 1.00 0.00 H new ATOM 0 HA SER A 49 7.281 15.993 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.807 14.123 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.019 13.974 3.600 1.00 0.00 H new ATOM 0 HG SER A 49 7.870 11.992 3.251 1.00 0.00 H new ATOM 735 N PRO A 50 4.939 14.951 3.496 1.00 0.00 N ATOM 736 CA PRO A 50 3.509 14.651 3.616 1.00 0.00 C ATOM 737 C PRO A 50 3.231 13.151 3.628 1.00 0.00 C ATOM 738 O PRO A 50 2.132 12.717 3.973 1.00 0.00 O ATOM 739 CB PRO A 50 2.906 15.296 2.366 1.00 0.00 C ATOM 740 CG PRO A 50 4.024 15.336 1.382 1.00 0.00 C ATOM 741 CD PRO A 50 5.277 15.536 2.188 1.00 0.00 C ATOM 0 HA PRO A 50 3.090 15.026 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.066 14.714 1.987 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.530 16.297 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.072 14.410 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.886 16.147 0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.132 15.035 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.535 16.592 2.275 1.00 0.00 H new ATOM 749 N ALA A 51 4.233 12.365 3.249 1.00 0.00 N ATOM 750 CA ALA A 51 4.097 10.914 3.220 1.00 0.00 C ATOM 751 C ALA A 51 4.330 10.312 4.601 1.00 0.00 C ATOM 752 O ALA A 51 3.707 9.316 4.967 1.00 0.00 O ATOM 753 CB ALA A 51 5.063 10.314 2.210 1.00 0.00 C ATOM 0 H ALA A 51 5.148 12.709 2.958 1.00 0.00 H new ATOM 0 HA ALA A 51 3.077 10.676 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.951 9.230 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.846 10.712 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.085 10.570 2.488 1.00 0.00 H new ATOM 759 N GLU A 52 5.232 10.923 5.363 1.00 0.00 N ATOM 760 CA GLU A 52 5.548 10.445 6.704 1.00 0.00 C ATOM 761 C GLU A 52 4.480 10.882 7.703 1.00 0.00 C ATOM 762 O GLU A 52 3.968 10.072 8.476 1.00 0.00 O ATOM 763 CB GLU A 52 6.918 10.965 7.145 1.00 0.00 C ATOM 764 CG GLU A 52 7.536 10.164 8.279 1.00 0.00 C ATOM 765 CD GLU A 52 8.941 10.623 8.618 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.256 11.805 8.366 1.00 0.00 O ATOM 767 OE2 GLU A 52 9.725 9.801 9.137 1.00 0.00 O ATOM 0 H GLU A 52 5.756 11.749 5.075 1.00 0.00 H new ATOM 0 HA GLU A 52 5.572 9.356 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.595 10.951 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.820 12.005 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.906 10.249 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.558 9.109 8.004 1.00 0.00 H new ATOM 774 N LYS A 53 4.150 12.169 7.681 1.00 0.00 N ATOM 775 CA LYS A 53 3.143 12.716 8.583 1.00 0.00 C ATOM 776 C LYS A 53 1.979 11.745 8.752 1.00 0.00 C ATOM 777 O LYS A 53 1.296 11.752 9.776 1.00 0.00 O ATOM 778 CB LYS A 53 2.630 14.057 8.055 1.00 0.00 C ATOM 779 CG LYS A 53 1.700 13.925 6.862 1.00 0.00 C ATOM 780 CD LYS A 53 0.725 15.089 6.783 1.00 0.00 C ATOM 781 CE LYS A 53 1.450 16.409 6.573 1.00 0.00 C ATOM 782 NZ LYS A 53 1.808 17.058 7.865 1.00 0.00 N ATOM 0 H LYS A 53 4.565 12.853 7.048 1.00 0.00 H new ATOM 0 HA LYS A 53 3.609 12.870 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.107 14.578 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.481 14.677 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.287 13.878 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.146 12.989 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.024 14.923 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.138 15.137 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.355 16.237 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.819 17.081 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.799 18.091 7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.117 16.786 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.758 16.750 8.157 1.00 0.00 H new ATOM 796 N ALA A 54 1.759 10.910 7.741 1.00 0.00 N ATOM 797 CA ALA A 54 0.679 9.932 7.780 1.00 0.00 C ATOM 798 C ALA A 54 1.107 8.672 8.526 1.00 0.00 C ATOM 799 O ALA A 54 0.685 7.566 8.189 1.00 0.00 O ATOM 800 CB ALA A 54 0.231 9.585 6.368 1.00 0.00 C ATOM 0 H ALA A 54 2.314 10.892 6.886 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.160 10.374 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.576 8.854 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.123 10.486 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.070 9.166 5.813 1.00 0.00 H new ATOM 806 N GLY A 55 1.947 8.847 9.541 1.00 0.00 N ATOM 807 CA GLY A 55 2.418 7.716 10.318 1.00 0.00 C ATOM 808 C GLY A 55 2.984 6.611 9.448 1.00 0.00 C ATOM 809 O GLY A 55 3.021 5.448 9.854 1.00 0.00 O ATOM 0 H GLY A 55 2.310 9.752 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.184 8.053 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.595 7.320 10.913 1.00 0.00 H new ATOM 813 N LEU A 56 3.425 6.972 8.248 1.00 0.00 N ATOM 814 CA LEU A 56 3.991 6.002 7.317 1.00 0.00 C ATOM 815 C LEU A 56 5.489 5.833 7.550 1.00 0.00 C ATOM 816 O LEU A 56 6.268 6.766 7.350 1.00 0.00 O ATOM 817 CB LEU A 56 3.733 6.440 5.874 1.00 0.00 C ATOM 818 CG LEU A 56 3.748 5.330 4.823 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.653 4.313 5.104 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.590 5.915 3.427 1.00 0.00 C ATOM 0 H LEU A 56 3.402 7.929 7.897 1.00 0.00 H new ATOM 0 HA LEU A 56 3.505 5.042 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.764 6.937 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.484 7.182 5.601 1.00 0.00 H new ATOM 0 HG LEU A 56 4.710 4.820 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.680 3.531 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.811 3.870 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.682 4.808 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.603 5.110 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.643 6.451 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.411 6.603 3.226 1.00 0.00 H new ATOM 832 N LEU A 57 5.886 4.637 7.972 1.00 0.00 N ATOM 833 CA LEU A 57 7.292 4.345 8.229 1.00 0.00 C ATOM 834 C LEU A 57 7.874 3.462 7.131 1.00 0.00 C ATOM 835 O LEU A 57 7.139 2.878 6.334 1.00 0.00 O ATOM 836 CB LEU A 57 7.449 3.660 9.588 1.00 0.00 C ATOM 837 CG LEU A 57 6.257 2.829 10.063 1.00 0.00 C ATOM 838 CD1 LEU A 57 6.685 1.852 11.147 1.00 0.00 C ATOM 839 CD2 LEU A 57 5.143 3.734 10.568 1.00 0.00 C ATOM 0 H LEU A 57 5.254 3.855 8.143 1.00 0.00 H new ATOM 0 HA LEU A 57 7.839 5.288 8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.324 3.012 9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.654 4.425 10.337 1.00 0.00 H new ATOM 0 HG LEU A 57 5.877 2.257 9.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.823 1.269 11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.448 1.181 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.091 2.404 11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.303 3.125 10.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.511 4.333 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.816 4.393 9.763 1.00 0.00 H new ATOM 851 N ASP A 58 9.199 3.368 7.095 1.00 0.00 N ATOM 852 CA ASP A 58 9.881 2.553 6.096 1.00 0.00 C ATOM 853 C ASP A 58 9.683 1.067 6.380 1.00 0.00 C ATOM 854 O ASP A 58 9.915 0.601 7.494 1.00 0.00 O ATOM 855 CB ASP A 58 11.374 2.885 6.069 1.00 0.00 C ATOM 856 CG ASP A 58 12.075 2.504 7.358 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.964 3.265 8.341 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.736 1.444 7.383 1.00 0.00 O ATOM 0 H ASP A 58 9.822 3.846 7.746 1.00 0.00 H new ATOM 0 HA ASP A 58 9.449 2.779 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.844 2.364 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.503 3.953 5.891 1.00 0.00 H new ATOM 863 N GLY A 59 9.251 0.328 5.362 1.00 0.00 N ATOM 864 CA GLY A 59 9.027 -1.097 5.522 1.00 0.00 C ATOM 865 C GLY A 59 7.579 -1.485 5.303 1.00 0.00 C ATOM 866 O GLY A 59 7.285 -2.604 4.883 1.00 0.00 O ATOM 0 H GLY A 59 9.052 0.691 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.656 -1.642 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.333 -1.399 6.523 1.00 0.00 H new ATOM 870 N ASP A 60 6.670 -0.558 5.588 1.00 0.00 N ATOM 871 CA ASP A 60 5.243 -0.809 5.420 1.00 0.00 C ATOM 872 C ASP A 60 4.947 -1.347 4.023 1.00 0.00 C ATOM 873 O ASP A 60 5.607 -0.976 3.052 1.00 0.00 O ATOM 874 CB ASP A 60 4.446 0.472 5.666 1.00 0.00 C ATOM 875 CG ASP A 60 4.723 1.073 7.030 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.790 0.773 7.605 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.873 1.844 7.524 1.00 0.00 O ATOM 0 H ASP A 60 6.896 0.374 5.936 1.00 0.00 H new ATOM 0 HA ASP A 60 4.943 -1.560 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.690 1.202 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.381 0.257 5.576 1.00 0.00 H new ATOM 882 N ARG A 61 3.952 -2.223 3.930 1.00 0.00 N ATOM 883 CA ARG A 61 3.570 -2.813 2.653 1.00 0.00 C ATOM 884 C ARG A 61 2.226 -2.265 2.181 1.00 0.00 C ATOM 885 O ARG A 61 1.300 -2.097 2.974 1.00 0.00 O ATOM 886 CB ARG A 61 3.499 -4.336 2.772 1.00 0.00 C ATOM 887 CG ARG A 61 4.827 -5.030 2.519 1.00 0.00 C ATOM 888 CD ARG A 61 5.624 -5.193 3.805 1.00 0.00 C ATOM 889 NE ARG A 61 6.529 -6.338 3.746 1.00 0.00 N ATOM 890 CZ ARG A 61 7.407 -6.630 4.699 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.498 -5.865 5.778 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.196 -7.689 4.574 1.00 0.00 N ATOM 0 H ARG A 61 3.396 -2.540 4.724 1.00 0.00 H new ATOM 0 HA ARG A 61 4.329 -2.548 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.146 -4.598 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.761 -4.713 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.648 -6.009 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.409 -4.454 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.199 -4.286 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.938 -5.316 4.643 1.00 0.00 H new ATOM 0 HE ARG A 61 6.484 -6.946 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.893 -5.050 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.173 -6.092 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.129 -8.280 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.870 -7.912 5.306 1.00 0.00 H new ATOM 906 N VAL A 62 2.128 -1.988 0.885 1.00 0.00 N ATOM 907 CA VAL A 62 0.898 -1.460 0.307 1.00 0.00 C ATOM 908 C VAL A 62 0.082 -2.566 -0.353 1.00 0.00 C ATOM 909 O VAL A 62 0.535 -3.203 -1.305 1.00 0.00 O ATOM 910 CB VAL A 62 1.193 -0.364 -0.734 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.257 -0.831 -1.715 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.081 0.032 -1.465 1.00 0.00 C ATOM 0 H VAL A 62 2.886 -2.120 0.215 1.00 0.00 H new ATOM 0 HA VAL A 62 0.323 -1.028 1.126 1.00 0.00 H new ATOM 0 HB VAL A 62 1.574 0.514 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.452 -0.043 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.175 -1.060 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.908 -1.725 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.145 0.807 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.494 -0.839 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.809 0.411 -0.748 1.00 0.00 H new ATOM 922 N LEU A 63 -1.123 -2.789 0.158 1.00 0.00 N ATOM 923 CA LEU A 63 -2.005 -3.819 -0.382 1.00 0.00 C ATOM 924 C LEU A 63 -2.740 -3.312 -1.618 1.00 0.00 C ATOM 925 O LEU A 63 -2.637 -3.896 -2.697 1.00 0.00 O ATOM 926 CB LEU A 63 -3.013 -4.263 0.679 1.00 0.00 C ATOM 927 CG LEU A 63 -2.423 -4.842 1.965 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.388 -4.657 3.126 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.085 -6.314 1.780 1.00 0.00 C ATOM 0 H LEU A 63 -1.513 -2.271 0.946 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.392 -4.673 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.635 -3.407 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.671 -5.011 0.236 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.503 -4.304 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.951 -5.075 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.581 -3.594 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.325 -5.169 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.666 -6.710 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.990 -6.866 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.356 -6.422 0.976 1.00 0.00 H new ATOM 941 N ARG A 64 -3.481 -2.221 -1.454 1.00 0.00 N ATOM 942 CA ARG A 64 -4.233 -1.635 -2.557 1.00 0.00 C ATOM 943 C ARG A 64 -3.888 -0.158 -2.726 1.00 0.00 C ATOM 944 O ARG A 64 -3.795 0.583 -1.748 1.00 0.00 O ATOM 945 CB ARG A 64 -5.736 -1.795 -2.320 1.00 0.00 C ATOM 946 CG ARG A 64 -6.205 -3.240 -2.339 1.00 0.00 C ATOM 947 CD ARG A 64 -7.632 -3.370 -1.829 1.00 0.00 C ATOM 948 NE ARG A 64 -8.260 -4.613 -2.268 1.00 0.00 N ATOM 949 CZ ARG A 64 -8.606 -4.856 -3.527 1.00 0.00 C ATOM 950 NH1 ARG A 64 -8.386 -3.946 -4.467 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.173 -6.012 -3.849 1.00 0.00 N ATOM 0 H ARG A 64 -3.577 -1.725 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.958 -2.162 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.993 -1.351 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.277 -1.236 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.144 -3.630 -3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.541 -3.847 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.633 -3.329 -0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.221 -2.523 -2.180 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.443 -5.334 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.950 -3.057 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.653 -4.136 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.343 -6.714 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.438 -6.198 -4.816 1.00 0.00 H new ATOM 965 N ILE A 65 -3.700 0.261 -3.973 1.00 0.00 N ATOM 966 CA ILE A 65 -3.366 1.648 -4.270 1.00 0.00 C ATOM 967 C ILE A 65 -4.569 2.394 -4.836 1.00 0.00 C ATOM 968 O ILE A 65 -5.129 2.003 -5.859 1.00 0.00 O ATOM 969 CB ILE A 65 -2.198 1.745 -5.270 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.473 3.083 -5.113 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.706 1.575 -6.694 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.398 4.280 -5.155 1.00 0.00 C ATOM 0 H ILE A 65 -3.773 -0.340 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.066 2.109 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.490 0.943 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.932 3.085 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.730 3.180 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.870 1.646 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.182 0.600 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.431 2.358 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.816 5.194 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.920 4.303 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.125 4.207 -4.346 1.00 0.00 H new ATOM 984 N ASN A 66 -4.960 3.473 -4.165 1.00 0.00 N ATOM 985 CA ASN A 66 -6.096 4.275 -4.602 1.00 0.00 C ATOM 986 C ASN A 66 -7.305 3.392 -4.896 1.00 0.00 C ATOM 987 O ASN A 66 -8.093 3.679 -5.796 1.00 0.00 O ATOM 988 CB ASN A 66 -5.727 5.084 -5.847 1.00 0.00 C ATOM 989 CG ASN A 66 -6.636 6.280 -6.051 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.436 6.315 -6.986 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.518 7.269 -5.172 1.00 0.00 N ATOM 0 H ASN A 66 -4.506 3.812 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.356 4.960 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.695 5.426 -5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.778 4.439 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.104 8.099 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.841 7.198 -4.412 1.00 0.00 H new ATOM 998 N GLY A 67 -7.445 2.315 -4.129 1.00 0.00 N ATOM 999 CA GLY A 67 -8.560 1.406 -4.322 1.00 0.00 C ATOM 1000 C GLY A 67 -8.330 0.443 -5.469 1.00 0.00 C ATOM 1001 O GLY A 67 -9.237 0.180 -6.259 1.00 0.00 O ATOM 0 H GLY A 67 -6.806 2.056 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.727 0.841 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.466 1.982 -4.511 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.114 -0.085 -5.563 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.768 -1.025 -6.622 1.00 0.00 C ATOM 1007 C VAL A 68 -5.727 -2.032 -6.146 1.00 0.00 C ATOM 1008 O VAL A 68 -4.699 -1.658 -5.581 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.227 -0.294 -7.866 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.913 -1.287 -8.974 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.223 0.752 -8.343 1.00 0.00 C ATOM 0 H VAL A 68 -6.352 0.123 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.684 -1.553 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.302 0.215 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.532 -0.753 -9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.161 -1.995 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.820 -1.826 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.825 1.259 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.165 0.267 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.393 1.480 -7.550 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.000 -3.311 -6.377 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.088 -4.374 -5.970 1.00 0.00 C ATOM 1023 C PHE A 69 -3.808 -4.338 -6.801 1.00 0.00 C ATOM 1024 O PHE A 69 -3.832 -4.573 -8.009 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.764 -5.739 -6.113 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.141 -6.808 -5.263 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.053 -6.656 -3.888 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.643 -7.966 -5.838 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -4.479 -7.639 -3.104 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.068 -8.953 -5.058 1.00 0.00 C ATOM 1031 CZ PHE A 69 -3.987 -8.789 -3.689 1.00 0.00 C ATOM 0 H PHE A 69 -6.846 -3.637 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.827 -4.214 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.817 -5.643 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.724 -6.048 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.437 -5.760 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.705 -8.100 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.415 -7.508 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.683 -9.851 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.540 -9.559 -3.077 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.691 -4.043 -6.143 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.401 -3.977 -6.819 1.00 0.00 C ATOM 1043 C VAL A 70 -0.394 -4.922 -6.174 1.00 0.00 C ATOM 1044 O VAL A 70 0.787 -4.596 -6.048 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.830 -2.546 -6.800 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.692 -1.616 -7.641 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.717 -2.036 -5.372 1.00 0.00 C ATOM 0 H VAL A 70 -2.654 -3.846 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.569 -4.280 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 70 0.170 -2.567 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.273 -0.610 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.716 -1.973 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.705 -1.597 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.312 -1.024 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.704 -2.029 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.054 -2.689 -4.804 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.868 -6.095 -5.768 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.008 -7.090 -5.138 1.00 0.00 C ATOM 1059 C ASP A 71 0.930 -7.725 -6.160 1.00 0.00 C ATOM 1060 O ASP A 71 2.113 -7.932 -5.889 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.854 -8.171 -4.463 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.138 -8.822 -3.296 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.732 -8.162 -2.690 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.448 -9.992 -2.988 1.00 0.00 O ATOM 0 H ASP A 71 -1.843 -6.380 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 71 0.596 -6.586 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.788 -7.731 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.116 -8.934 -5.196 1.00 0.00 H new ATOM 1069 N LYS A 72 0.394 -8.032 -7.336 1.00 0.00 N ATOM 1070 CA LYS A 72 1.181 -8.642 -8.400 1.00 0.00 C ATOM 1071 C LYS A 72 1.664 -7.590 -9.393 1.00 0.00 C ATOM 1072 O LYS A 72 2.636 -7.805 -10.116 1.00 0.00 O ATOM 1073 CB LYS A 72 0.355 -9.705 -9.129 1.00 0.00 C ATOM 1074 CG LYS A 72 1.083 -10.345 -10.299 1.00 0.00 C ATOM 1075 CD LYS A 72 2.131 -11.339 -9.826 1.00 0.00 C ATOM 1076 CE LYS A 72 1.526 -12.713 -9.585 1.00 0.00 C ATOM 1077 NZ LYS A 72 1.000 -13.317 -10.840 1.00 0.00 N ATOM 0 H LYS A 72 -0.584 -7.868 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 72 2.052 -9.115 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.071 -10.482 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.568 -9.251 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.364 -10.851 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.560 -9.571 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.924 -11.415 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.590 -10.976 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.280 -13.371 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.720 -12.632 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.007 -14.354 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.026 -12.990 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.599 -13.030 -11.641 1.00 0.00 H new ATOM 1091 N GLU A 73 0.979 -6.451 -9.421 1.00 0.00 N ATOM 1092 CA GLU A 73 1.340 -5.365 -10.325 1.00 0.00 C ATOM 1093 C GLU A 73 2.806 -4.978 -10.153 1.00 0.00 C ATOM 1094 O GLU A 73 3.436 -5.324 -9.154 1.00 0.00 O ATOM 1095 CB GLU A 73 0.447 -4.147 -10.076 1.00 0.00 C ATOM 1096 CG GLU A 73 -0.977 -4.324 -10.575 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.040 -4.679 -12.048 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -0.527 -3.890 -12.869 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -1.601 -5.744 -12.379 1.00 0.00 O ATOM 0 H GLU A 73 0.172 -6.256 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 73 1.192 -5.713 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.425 -3.936 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.888 -3.278 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.466 -5.107 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.535 -3.404 -10.403 1.00 0.00 H new ATOM 1106 N GLU A 74 3.341 -4.260 -11.135 1.00 0.00 N ATOM 1107 CA GLU A 74 4.733 -3.827 -11.093 1.00 0.00 C ATOM 1108 C GLU A 74 4.840 -2.383 -10.613 1.00 0.00 C ATOM 1109 O GLU A 74 3.898 -1.601 -10.748 1.00 0.00 O ATOM 1110 CB GLU A 74 5.376 -3.967 -12.474 1.00 0.00 C ATOM 1111 CG GLU A 74 6.007 -5.327 -12.718 1.00 0.00 C ATOM 1112 CD GLU A 74 5.992 -5.724 -14.181 1.00 0.00 C ATOM 1113 OE1 GLU A 74 4.967 -6.271 -14.638 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.007 -5.486 -14.870 1.00 0.00 O ATOM 0 H GLU A 74 2.832 -3.966 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 74 5.264 -4.466 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.620 -3.785 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.138 -3.196 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.036 -5.315 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.475 -6.080 -12.136 1.00 0.00 H new ATOM 1121 N HIS A 75 5.994 -2.035 -10.052 1.00 0.00 N ATOM 1122 CA HIS A 75 6.225 -0.685 -9.552 1.00 0.00 C ATOM 1123 C HIS A 75 5.922 0.353 -10.629 1.00 0.00 C ATOM 1124 O HIS A 75 5.386 1.422 -10.341 1.00 0.00 O ATOM 1125 CB HIS A 75 7.670 -0.535 -9.076 1.00 0.00 C ATOM 1126 CG HIS A 75 8.076 0.886 -8.831 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.334 1.759 -8.065 1.00 0.00 N ATOM 1128 CD2 HIS A 75 9.155 1.584 -9.255 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.938 2.934 -8.030 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.046 2.854 -8.744 1.00 0.00 N ATOM 0 H HIS A 75 6.784 -2.670 -9.932 1.00 0.00 H new ATOM 0 HA HIS A 75 5.553 -0.516 -8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.802 -1.106 -8.157 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.336 -0.971 -9.820 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.954 1.211 -9.879 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.585 3.810 -7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.712 3.612 -8.892 1.00 0.00 H new ATOM 1139 N ALA A 76 6.269 0.029 -11.870 1.00 0.00 N ATOM 1140 CA ALA A 76 6.033 0.932 -12.990 1.00 0.00 C ATOM 1141 C ALA A 76 4.540 1.108 -13.247 1.00 0.00 C ATOM 1142 O ALA A 76 4.119 2.091 -13.857 1.00 0.00 O ATOM 1143 CB ALA A 76 6.729 0.415 -14.240 1.00 0.00 C ATOM 0 H ALA A 76 6.715 -0.852 -12.125 1.00 0.00 H new ATOM 0 HA ALA A 76 6.448 1.907 -12.734 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.544 1.099 -15.068 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.801 0.347 -14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.341 -0.572 -14.491 1.00 0.00 H new ATOM 1149 N GLN A 77 3.747 0.150 -12.779 1.00 0.00 N ATOM 1150 CA GLN A 77 2.301 0.201 -12.961 1.00 0.00 C ATOM 1151 C GLN A 77 1.639 0.995 -11.839 1.00 0.00 C ATOM 1152 O GLN A 77 0.699 1.755 -12.074 1.00 0.00 O ATOM 1153 CB GLN A 77 1.722 -1.215 -13.010 1.00 0.00 C ATOM 1154 CG GLN A 77 1.707 -1.818 -14.405 1.00 0.00 C ATOM 1155 CD GLN A 77 0.971 -0.950 -15.407 1.00 0.00 C ATOM 1156 OE1 GLN A 77 1.553 -0.049 -16.011 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.316 -1.219 -15.591 1.00 0.00 N ATOM 0 H GLN A 77 4.080 -0.670 -12.272 1.00 0.00 H new ATOM 0 HA GLN A 77 2.096 0.703 -13.907 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.304 -1.859 -12.351 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.704 -1.196 -12.620 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.732 -1.968 -14.743 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.237 -2.801 -14.367 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.759 -1.975 -15.069 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.862 -0.669 -16.254 1.00 0.00 H new ATOM 1166 N VAL A 78 2.134 0.813 -10.619 1.00 0.00 N ATOM 1167 CA VAL A 78 1.591 1.513 -9.461 1.00 0.00 C ATOM 1168 C VAL A 78 1.904 3.003 -9.524 1.00 0.00 C ATOM 1169 O VAL A 78 1.037 3.842 -9.277 1.00 0.00 O ATOM 1170 CB VAL A 78 2.147 0.937 -8.146 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.565 1.676 -6.951 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.858 -0.554 -8.053 1.00 0.00 C ATOM 0 H VAL A 78 2.910 0.186 -10.407 1.00 0.00 H new ATOM 0 HA VAL A 78 0.511 1.371 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 78 3.228 1.076 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.970 1.255 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.828 2.732 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.480 1.571 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.258 -0.944 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.781 -0.718 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.328 -1.069 -8.891 1.00 0.00 H new ATOM 1182 N VAL A 79 3.150 3.327 -9.856 1.00 0.00 N ATOM 1183 CA VAL A 79 3.578 4.717 -9.953 1.00 0.00 C ATOM 1184 C VAL A 79 2.634 5.524 -10.837 1.00 0.00 C ATOM 1185 O VAL A 79 2.545 6.745 -10.714 1.00 0.00 O ATOM 1186 CB VAL A 79 5.008 4.826 -10.515 1.00 0.00 C ATOM 1187 CG1 VAL A 79 5.081 4.222 -11.909 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.466 6.277 -10.529 1.00 0.00 C ATOM 0 H VAL A 79 3.880 2.645 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 79 3.560 5.124 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 79 5.679 4.264 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.099 4.308 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.798 3.170 -11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.399 4.754 -12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.478 6.335 -10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.794 6.865 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.454 6.672 -9.513 1.00 0.00 H new ATOM 1198 N GLU A 80 1.930 4.831 -11.727 1.00 0.00 N ATOM 1199 CA GLU A 80 0.991 5.484 -12.632 1.00 0.00 C ATOM 1200 C GLU A 80 -0.358 5.701 -11.953 1.00 0.00 C ATOM 1201 O GLU A 80 -0.880 6.817 -11.927 1.00 0.00 O ATOM 1202 CB GLU A 80 0.807 4.648 -13.901 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.345 5.114 -14.775 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.842 4.031 -15.712 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -0.908 2.860 -15.284 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.165 4.355 -16.874 1.00 0.00 O ATOM 0 H GLU A 80 1.992 3.819 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 80 1.403 6.456 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.728 4.678 -14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.641 3.608 -13.620 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.167 5.445 -14.140 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.026 5.977 -15.360 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.917 4.629 -11.404 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.206 4.700 -10.725 1.00 0.00 C ATOM 1215 C LEU A 81 -2.190 5.772 -9.640 1.00 0.00 C ATOM 1216 O LEU A 81 -3.217 6.382 -9.339 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.559 3.344 -10.113 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.460 2.139 -11.049 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.100 0.884 -10.269 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -3.766 1.943 -11.805 1.00 0.00 C ATOM 0 H LEU A 81 -0.498 3.699 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.963 4.966 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.903 3.171 -9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.577 3.396 -9.727 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.668 2.330 -11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.034 0.037 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.139 1.026 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.868 0.688 -9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.678 1.081 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.576 1.774 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.982 2.833 -12.396 1.00 0.00 H new ATOM 1232 N VAL A 82 -1.018 5.998 -9.055 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.867 6.999 -8.006 1.00 0.00 C ATOM 1234 C VAL A 82 -0.839 8.407 -8.589 1.00 0.00 C ATOM 1235 O VAL A 82 -1.248 9.368 -7.937 1.00 0.00 O ATOM 1236 CB VAL A 82 0.418 6.767 -7.189 1.00 0.00 C ATOM 1237 CG1 VAL A 82 0.567 7.832 -6.114 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.415 5.375 -6.576 1.00 0.00 C ATOM 0 H VAL A 82 -0.159 5.501 -9.290 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.730 6.899 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 82 1.273 6.841 -7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.480 7.652 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.618 8.816 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.290 7.793 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.330 5.228 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.447 5.269 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.360 4.629 -7.368 1.00 0.00 H new ATOM 1248 N ARG A 83 -0.353 8.522 -9.821 1.00 0.00 N ATOM 1249 CA ARG A 83 -0.270 9.813 -10.492 1.00 0.00 C ATOM 1250 C ARG A 83 -1.659 10.410 -10.695 1.00 0.00 C ATOM 1251 O ARG A 83 -1.976 11.471 -10.156 1.00 0.00 O ATOM 1252 CB ARG A 83 0.436 9.666 -11.841 1.00 0.00 C ATOM 1253 CG ARG A 83 1.226 10.898 -12.253 1.00 0.00 C ATOM 1254 CD ARG A 83 1.572 10.869 -13.733 1.00 0.00 C ATOM 1255 NE ARG A 83 0.379 10.900 -14.575 1.00 0.00 N ATOM 1256 CZ ARG A 83 -0.254 9.810 -14.994 1.00 0.00 C ATOM 1257 NH1 ARG A 83 0.190 8.609 -14.651 1.00 0.00 N ATOM 1258 NH2 ARG A 83 -1.334 9.921 -15.757 1.00 0.00 N ATOM 0 H ARG A 83 -0.011 7.736 -10.374 1.00 0.00 H new ATOM 0 HA ARG A 83 0.307 10.487 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.110 8.811 -11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.307 9.448 -12.608 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.646 11.794 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.142 10.957 -11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.208 11.721 -13.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.148 9.970 -13.953 1.00 0.00 H new ATOM 0 HE ARG A 83 0.012 11.809 -14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.019 8.520 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.298 7.773 -14.974 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.679 10.844 -16.022 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.820 9.084 -16.078 1.00 0.00 H new ATOM 1272 N LYS A 84 -2.485 9.723 -11.477 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.841 10.183 -11.752 1.00 0.00 C ATOM 1274 C LYS A 84 -4.570 10.532 -10.459 1.00 0.00 C ATOM 1275 O LYS A 84 -5.311 11.513 -10.397 1.00 0.00 O ATOM 1276 CB LYS A 84 -4.620 9.111 -12.517 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.859 7.844 -11.714 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.956 6.623 -12.614 1.00 0.00 C ATOM 1279 CE LYS A 84 -5.710 5.490 -11.936 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.373 4.595 -12.925 1.00 0.00 N ATOM 0 H LYS A 84 -2.238 8.844 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.776 11.082 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.581 9.523 -12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.075 8.857 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.048 7.707 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.778 7.946 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.460 6.893 -13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.954 6.286 -12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.019 4.908 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.459 5.905 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.876 3.836 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.051 5.145 -13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.655 4.179 -13.552 1.00 0.00 H new ATOM 1294 N SER A 85 -4.354 9.723 -9.426 1.00 0.00 N ATOM 1295 CA SER A 85 -4.992 9.944 -8.134 1.00 0.00 C ATOM 1296 C SER A 85 -5.151 11.436 -7.856 1.00 0.00 C ATOM 1297 O SER A 85 -6.241 11.906 -7.531 1.00 0.00 O ATOM 1298 CB SER A 85 -4.175 9.290 -7.019 1.00 0.00 C ATOM 1299 OG SER A 85 -3.833 7.956 -7.353 1.00 0.00 O ATOM 0 H SER A 85 -3.741 8.908 -9.459 1.00 0.00 H new ATOM 0 HA SER A 85 -5.982 9.489 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.268 9.868 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.746 9.301 -6.091 1.00 0.00 H new ATOM 0 HG SER A 85 -3.914 7.389 -6.558 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.054 12.176 -7.986 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.092 13.607 -7.745 1.00 0.00 C ATOM 1307 C GLY A 86 -3.171 14.029 -6.617 1.00 0.00 C ATOM 1308 O GLY A 86 -2.104 13.446 -6.426 1.00 0.00 O ATOM 0 H GLY A 86 -3.140 11.810 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.810 14.134 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.113 13.905 -7.507 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.584 15.046 -5.867 1.00 0.00 N ATOM 1313 CA ASN A 87 -2.787 15.547 -4.753 1.00 0.00 C ATOM 1314 C ASN A 87 -2.976 14.677 -3.514 1.00 0.00 C ATOM 1315 O ASN A 87 -2.205 14.764 -2.559 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.168 16.995 -4.437 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.063 17.899 -5.650 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -3.968 17.945 -6.484 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -1.955 18.622 -5.755 1.00 0.00 N ATOM 0 H ASN A 87 -4.465 15.539 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.737 15.510 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.188 17.024 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.519 17.374 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.828 19.247 -6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.231 18.552 -5.040 1.00 0.00 H new ATOM 1326 N SER A 88 -4.007 13.839 -3.539 1.00 0.00 N ATOM 1327 CA SER A 88 -4.300 12.955 -2.417 1.00 0.00 C ATOM 1328 C SER A 88 -4.416 11.506 -2.882 1.00 0.00 C ATOM 1329 O SER A 88 -5.108 11.209 -3.856 1.00 0.00 O ATOM 1330 CB SER A 88 -5.595 13.386 -1.725 1.00 0.00 C ATOM 1331 OG SER A 88 -6.672 13.436 -2.645 1.00 0.00 O ATOM 0 H SER A 88 -4.653 13.754 -4.324 1.00 0.00 H new ATOM 0 HA SER A 88 -3.476 13.025 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.831 12.689 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.458 14.366 -1.267 1.00 0.00 H new ATOM 0 HG SER A 88 -6.527 12.776 -3.355 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.734 10.609 -2.178 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.761 9.191 -2.516 1.00 0.00 C ATOM 1339 C VAL A 89 -4.013 8.335 -1.280 1.00 0.00 C ATOM 1340 O VAL A 89 -3.370 8.514 -0.245 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.441 8.746 -3.174 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.560 7.325 -3.705 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.050 9.708 -4.286 1.00 0.00 C ATOM 0 H VAL A 89 -3.156 10.839 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.578 9.050 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.656 8.761 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.618 7.029 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.791 6.647 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.357 7.279 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.115 9.379 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.834 9.727 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.920 10.708 -3.873 1.00 0.00 H new ATOM 1353 N THR A 90 -4.954 7.403 -1.394 1.00 0.00 N ATOM 1354 CA THR A 90 -5.293 6.519 -0.286 1.00 0.00 C ATOM 1355 C THR A 90 -4.495 5.222 -0.353 1.00 0.00 C ATOM 1356 O THR A 90 -4.667 4.422 -1.274 1.00 0.00 O ATOM 1357 CB THR A 90 -6.796 6.183 -0.275 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.568 7.388 -0.315 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.162 5.381 0.965 1.00 0.00 C ATOM 0 H THR A 90 -5.495 7.241 -2.243 1.00 0.00 H new ATOM 0 HA THR A 90 -5.040 7.051 0.631 1.00 0.00 H new ATOM 0 HB THR A 90 -7.018 5.581 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.522 7.165 -0.309 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.228 5.155 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.594 4.451 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.926 5.962 1.857 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.621 5.020 0.627 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.795 3.818 0.680 1.00 0.00 C ATOM 1369 C LEU A 91 -3.160 2.960 1.887 1.00 0.00 C ATOM 1370 O LEU A 91 -3.353 3.472 2.990 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.314 4.196 0.736 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.818 5.132 -0.366 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.524 5.740 0.014 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.713 4.390 -1.690 1.00 0.00 C ATOM 0 H LEU A 91 -3.466 5.672 1.395 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.981 3.238 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.116 4.665 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.724 3.280 0.700 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.541 5.940 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.861 6.403 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.418 6.308 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.256 4.945 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.358 5.072 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.012 3.561 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.693 4.004 -1.969 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.249 1.652 1.671 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.588 0.721 2.742 1.00 0.00 C ATOM 1388 C LEU A 92 -2.360 -0.069 3.184 1.00 0.00 C ATOM 1389 O LEU A 92 -1.838 -0.896 2.436 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.688 -0.237 2.283 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.086 0.366 2.139 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -6.980 -0.550 1.318 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.698 0.624 3.508 1.00 0.00 C ATOM 0 H LEU A 92 -3.091 1.212 0.764 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.951 1.299 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.396 -0.660 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.742 -1.063 2.992 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.999 1.318 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.971 -0.105 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.549 -0.685 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.062 -1.518 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.693 1.053 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.772 -0.315 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.068 1.319 4.063 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.906 0.188 4.406 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.742 -0.502 4.950 1.00 0.00 C ATOM 1407 C VAL A 93 -1.151 -1.511 6.017 1.00 0.00 C ATOM 1408 O VAL A 93 -1.873 -1.179 6.958 1.00 0.00 O ATOM 1409 CB VAL A 93 0.266 0.491 5.558 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.724 1.496 4.511 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.342 1.200 6.759 1.00 0.00 C ATOM 0 H VAL A 93 -2.326 0.869 5.038 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.268 -1.026 4.120 1.00 0.00 H new ATOM 0 HB VAL A 93 1.139 -0.067 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.436 2.189 4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.202 0.969 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.137 2.051 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.384 1.898 7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.232 1.746 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.614 0.465 7.516 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.684 -2.746 5.865 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.000 -3.806 6.817 1.00 0.00 C ATOM 1423 C LEU A 94 0.177 -4.069 7.750 1.00 0.00 C ATOM 1424 O LEU A 94 1.333 -3.858 7.382 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.374 -5.090 6.074 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.188 -6.112 6.868 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.539 -5.531 7.257 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.367 -7.392 6.065 1.00 0.00 C ATOM 0 H LEU A 94 -0.086 -3.038 5.092 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.849 -3.480 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.939 -4.819 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.456 -5.571 5.735 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.642 -6.353 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.105 -6.272 7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.390 -4.643 7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.092 -5.261 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.949 -8.108 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.891 -7.168 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.390 -7.818 5.837 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.124 -4.532 8.958 1.00 0.00 N ATOM 1441 CA ASP A 95 0.910 -4.828 9.943 1.00 0.00 C ATOM 1442 C ASP A 95 1.696 -6.074 9.549 1.00 0.00 C ATOM 1443 O ASP A 95 1.117 -7.095 9.179 1.00 0.00 O ATOM 1444 CB ASP A 95 0.286 -5.020 11.326 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.745 -3.955 11.649 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.883 -4.061 11.147 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.413 -3.017 12.403 1.00 0.00 O ATOM 0 H ASP A 95 -1.076 -4.711 9.279 1.00 0.00 H new ATOM 0 HA ASP A 95 1.597 -3.983 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.183 -6.003 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.071 -5.002 12.082 1.00 0.00 H new ATOM 1452 N GLY A 96 3.020 -5.983 9.630 1.00 0.00 N ATOM 1453 CA GLY A 96 3.864 -7.110 9.277 1.00 0.00 C ATOM 1454 C GLY A 96 3.275 -8.436 9.717 1.00 0.00 C ATOM 1455 O GLY A 96 3.052 -9.326 8.897 1.00 0.00 O ATOM 0 H GLY A 96 3.523 -5.149 9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.014 -7.123 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.845 -6.982 9.734 1.00 0.00 H new ATOM 1459 N ASP A 97 3.024 -8.568 11.015 1.00 0.00 N ATOM 1460 CA ASP A 97 2.458 -9.796 11.562 1.00 0.00 C ATOM 1461 C ASP A 97 1.224 -10.224 10.774 1.00 0.00 C ATOM 1462 O ASP A 97 1.180 -11.321 10.217 1.00 0.00 O ATOM 1463 CB ASP A 97 2.095 -9.602 13.036 1.00 0.00 C ATOM 1464 CG ASP A 97 3.253 -9.916 13.963 1.00 0.00 C ATOM 1465 OD1 ASP A 97 3.613 -11.106 14.080 1.00 0.00 O ATOM 1466 OD2 ASP A 97 3.799 -8.971 14.571 1.00 0.00 O ATOM 0 H ASP A 97 3.203 -7.841 11.707 1.00 0.00 H new ATOM 0 HA ASP A 97 3.209 -10.581 11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.774 -8.573 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.249 -10.242 13.286 1.00 0.00 H new ATOM 1471 N SER A 98 0.222 -9.351 10.733 1.00 0.00 N ATOM 1472 CA SER A 98 -1.015 -9.641 10.017 1.00 0.00 C ATOM 1473 C SER A 98 -0.722 -10.135 8.604 1.00 0.00 C ATOM 1474 O SER A 98 -1.346 -11.081 8.123 1.00 0.00 O ATOM 1475 CB SER A 98 -1.901 -8.394 9.961 1.00 0.00 C ATOM 1476 OG SER A 98 -2.475 -8.119 11.227 1.00 0.00 O ATOM 0 H SER A 98 0.243 -8.438 11.187 1.00 0.00 H new ATOM 0 HA SER A 98 -1.542 -10.428 10.556 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.310 -7.539 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.691 -8.538 9.224 1.00 0.00 H new ATOM 0 HG SER A 98 -3.035 -7.317 11.165 1.00 0.00 H new ATOM 1482 N TYR A 99 0.231 -9.486 7.943 1.00 0.00 N ATOM 1483 CA TYR A 99 0.606 -9.857 6.584 1.00 0.00 C ATOM 1484 C TYR A 99 1.200 -11.262 6.546 1.00 0.00 C ATOM 1485 O TYR A 99 0.632 -12.170 5.941 1.00 0.00 O ATOM 1486 CB TYR A 99 1.610 -8.851 6.018 1.00 0.00 C ATOM 1487 CG TYR A 99 1.723 -8.892 4.510 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.194 -10.026 3.860 1.00 0.00 C ATOM 1489 CD2 TYR A 99 1.359 -7.797 3.737 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.300 -10.067 2.483 1.00 0.00 C ATOM 1491 CE2 TYR A 99 1.460 -7.830 2.360 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.931 -8.967 1.737 1.00 0.00 C ATOM 1493 OH TYR A 99 2.034 -9.005 0.366 1.00 0.00 O ATOM 0 H TYR A 99 0.757 -8.701 8.327 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.295 -9.847 5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.318 -7.847 6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.590 -9.045 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.482 -10.890 4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.991 -6.905 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.670 -10.956 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.172 -6.970 1.774 1.00 0.00 H new ATOM 0 HH TYR A 99 1.733 -8.151 -0.008 1.00 0.00 H new ATOM 1503 N GLU A 100 2.345 -11.431 7.199 1.00 0.00 N ATOM 1504 CA GLU A 100 3.017 -12.725 7.240 1.00 0.00 C ATOM 1505 C GLU A 100 2.031 -13.838 7.582 1.00 0.00 C ATOM 1506 O GLU A 100 2.041 -14.903 6.964 1.00 0.00 O ATOM 1507 CB GLU A 100 4.153 -12.702 8.265 1.00 0.00 C ATOM 1508 CG GLU A 100 5.240 -11.690 7.945 1.00 0.00 C ATOM 1509 CD GLU A 100 6.515 -11.937 8.729 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.524 -11.662 9.947 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.503 -12.404 8.124 1.00 0.00 O ATOM 0 H GLU A 100 2.827 -10.689 7.707 1.00 0.00 H new ATOM 0 HA GLU A 100 3.433 -12.922 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.739 -12.480 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.599 -13.695 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.461 -11.725 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.873 -10.687 8.162 1.00 0.00 H new ATOM 1518 N LYS A 101 1.180 -13.585 8.571 1.00 0.00 N ATOM 1519 CA LYS A 101 0.187 -14.563 8.996 1.00 0.00 C ATOM 1520 C LYS A 101 -0.734 -14.942 7.840 1.00 0.00 C ATOM 1521 O LYS A 101 -1.031 -16.117 7.630 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.639 -14.010 10.160 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.816 -14.889 10.542 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.213 -14.689 11.995 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.275 -15.427 12.937 1.00 0.00 C ATOM 1526 NZ LYS A 101 -1.612 -15.177 14.366 1.00 0.00 N ATOM 0 H LYS A 101 1.159 -12.709 9.093 1.00 0.00 H new ATOM 0 HA LYS A 101 0.714 -15.458 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.009 -13.887 11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.007 -13.019 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.665 -14.662 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.559 -15.935 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.205 -13.625 12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.233 -15.042 12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.325 -16.497 12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.249 -15.114 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.949 -15.698 14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.540 -14.159 14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.583 -15.499 14.555 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.182 -13.938 7.093 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.065 -14.166 5.957 1.00 0.00 C ATOM 1542 C ALA A 102 -1.369 -14.985 4.875 1.00 0.00 C ATOM 1543 O ALA A 102 -1.709 -16.145 4.645 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.548 -12.840 5.389 1.00 0.00 C ATOM 0 H ALA A 102 -0.947 -12.959 7.255 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.927 -14.734 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.207 -13.026 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.092 -12.291 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.691 -12.251 5.061 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.391 -14.373 4.214 1.00 0.00 N ATOM 1551 CA VAL A 103 0.354 -15.045 3.156 1.00 0.00 C ATOM 1552 C VAL A 103 0.649 -16.494 3.528 1.00 0.00 C ATOM 1553 O VAL A 103 0.578 -17.390 2.686 1.00 0.00 O ATOM 1554 CB VAL A 103 1.681 -14.323 2.858 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.508 -14.181 4.127 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.461 -15.065 1.784 1.00 0.00 C ATOM 0 H VAL A 103 -0.096 -13.413 4.393 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.272 -15.021 2.264 1.00 0.00 H new ATOM 0 HB VAL A 103 1.456 -13.324 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.442 -13.669 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.949 -13.603 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.726 -15.169 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.396 -14.541 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.678 -16.077 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.869 -15.109 0.870 1.00 0.00 H new ATOM 1566 N LYS A 104 0.980 -16.719 4.795 1.00 0.00 N ATOM 1567 CA LYS A 104 1.285 -18.059 5.281 1.00 0.00 C ATOM 1568 C LYS A 104 0.045 -18.946 5.244 1.00 0.00 C ATOM 1569 O LYS A 104 0.116 -20.113 4.859 1.00 0.00 O ATOM 1570 CB LYS A 104 1.836 -17.994 6.707 1.00 0.00 C ATOM 1571 CG LYS A 104 2.121 -19.358 7.312 1.00 0.00 C ATOM 1572 CD LYS A 104 3.438 -19.926 6.809 1.00 0.00 C ATOM 1573 CE LYS A 104 4.619 -19.373 7.592 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.093 -18.074 7.036 1.00 0.00 N ATOM 0 H LYS A 104 1.044 -15.989 5.505 1.00 0.00 H new ATOM 0 HA LYS A 104 2.041 -18.493 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.755 -17.407 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.122 -17.467 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.150 -19.276 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.310 -20.043 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.422 -21.013 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.558 -19.689 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.333 -19.239 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.436 -20.095 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.132 -18.040 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.775 -17.982 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.703 -17.292 7.600 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.091 -18.385 5.644 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.348 -19.125 5.656 1.00 0.00 C ATOM 1590 C ASN A 105 -3.118 -18.910 4.356 1.00 0.00 C ATOM 1591 O ASN A 105 -4.319 -19.168 4.286 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.206 -18.696 6.847 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.589 -19.090 8.176 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.146 -20.225 8.355 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.558 -18.152 9.115 1.00 0.00 N ATOM 0 H ASN A 105 -1.167 -17.420 5.964 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.115 -20.186 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.345 -17.615 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.194 -19.147 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.155 -18.359 10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.937 -17.225 8.922 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.417 -18.435 3.331 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.035 -18.185 2.035 1.00 0.00 C ATOM 1604 C GLN A 106 -4.392 -17.508 2.200 1.00 0.00 C ATOM 1605 O GLN A 106 -5.372 -17.894 1.563 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.197 -19.495 1.262 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.876 -20.154 0.898 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.999 -21.656 0.734 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.483 -22.353 1.627 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.561 -22.165 -0.412 1.00 0.00 N ATOM 0 H GLN A 106 -1.422 -18.216 3.373 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.382 -17.518 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.787 -20.189 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.761 -19.301 0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.501 -19.721 -0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.140 -19.936 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.167 -21.551 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.619 -23.170 -0.579 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.441 -16.495 3.059 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.677 -15.762 3.308 1.00 0.00 C ATOM 1621 C VAL A 107 -5.918 -14.710 2.231 1.00 0.00 C ATOM 1622 O VAL A 107 -4.980 -14.080 1.743 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.655 -15.075 4.686 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.924 -14.264 4.899 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.478 -16.105 5.791 1.00 0.00 C ATOM 0 H VAL A 107 -3.639 -16.163 3.594 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.487 -16.491 3.288 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.807 -14.391 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.890 -13.786 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.002 -13.501 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.790 -14.923 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.465 -15.602 6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.305 -16.815 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.538 -16.637 5.645 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.182 -14.525 1.865 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.548 -13.548 0.847 1.00 0.00 C ATOM 1637 C ASP A 108 -7.171 -12.137 1.288 1.00 0.00 C ATOM 1638 O ASP A 108 -7.559 -11.688 2.367 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.048 -13.621 0.555 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.455 -14.947 -0.055 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -8.597 -15.597 -0.689 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.631 -15.336 0.102 1.00 0.00 O ATOM 0 H ASP A 108 -7.970 -15.039 2.259 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.997 -13.784 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.603 -13.464 1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.323 -12.813 -0.123 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.412 -11.443 0.447 1.00 0.00 N ATOM 1648 CA LEU A 109 -5.982 -10.082 0.750 1.00 0.00 C ATOM 1649 C LEU A 109 -6.837 -9.062 0.006 1.00 0.00 C ATOM 1650 O LEU A 109 -7.061 -7.952 0.490 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.509 -9.898 0.379 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.497 -10.619 1.269 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.126 -10.639 0.612 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.425 -9.959 2.638 1.00 0.00 C ATOM 0 H LEU A 109 -6.082 -11.800 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.104 -9.918 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.368 -10.239 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.282 -8.832 0.395 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.828 -11.649 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.419 -11.156 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.188 -11.158 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.786 -9.616 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.700 -10.486 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.119 -8.919 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.405 -9.999 3.113 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.314 -9.445 -1.173 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.149 -8.566 -1.984 1.00 0.00 C ATOM 1668 C LYS A 110 -9.314 -8.017 -1.168 1.00 0.00 C ATOM 1669 O LYS A 110 -9.783 -6.906 -1.409 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.678 -9.317 -3.208 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.600 -9.669 -4.218 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.077 -10.731 -5.195 1.00 0.00 C ATOM 1673 CE LYS A 110 -6.915 -11.350 -5.956 1.00 0.00 C ATOM 1674 NZ LYS A 110 -6.551 -10.552 -7.159 1.00 0.00 N ATOM 0 H LYS A 110 -7.137 -10.359 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.535 -7.729 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.168 -10.233 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.438 -8.708 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.308 -8.774 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.713 -10.026 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.615 -11.509 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.781 -10.289 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.050 -11.428 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.178 -12.364 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.014 -11.148 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.416 -10.211 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.968 -9.739 -6.873 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.776 -8.804 -0.201 1.00 0.00 N ATOM 1689 CA GLU A 111 -10.887 -8.395 0.651 1.00 0.00 C ATOM 1690 C GLU A 111 -10.497 -7.202 1.518 1.00 0.00 C ATOM 1691 O GLU A 111 -11.299 -6.295 1.745 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.335 -9.559 1.537 1.00 0.00 C ATOM 1693 CG GLU A 111 -10.269 -10.024 2.516 1.00 0.00 C ATOM 1694 CD GLU A 111 -10.707 -11.228 3.327 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.930 -11.420 3.492 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -9.827 -11.979 3.796 1.00 0.00 O ATOM 0 H GLU A 111 -9.399 -9.727 0.012 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.715 -8.099 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.223 -9.260 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.624 -10.397 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.360 -10.271 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.020 -9.206 3.192 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.259 -7.209 2.001 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.761 -6.128 2.845 1.00 0.00 C ATOM 1705 C LEU A 112 -9.190 -4.770 2.300 1.00 0.00 C ATOM 1706 O LEU A 112 -8.628 -4.276 1.322 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.236 -6.192 2.942 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.648 -7.526 3.405 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.169 -7.605 3.063 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -6.862 -7.713 4.900 1.00 0.00 C ATOM 0 H LEU A 112 -8.582 -7.951 1.823 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.188 -6.251 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.819 -5.954 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.903 -5.413 3.628 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.164 -8.330 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.768 -8.561 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.040 -7.517 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.637 -6.793 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.437 -8.667 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.372 -6.904 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.930 -7.702 5.119 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.187 -4.169 2.940 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.690 -2.866 2.521 1.00 0.00 C ATOM 1724 C ASP A 113 -11.411 -2.167 3.670 1.00 0.00 C ATOM 1725 O ASP A 113 -12.513 -2.558 4.052 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.634 -3.019 1.328 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.972 -3.615 1.721 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -12.978 -4.666 2.396 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.012 -3.030 1.354 1.00 0.00 O ATOM 0 H ASP A 113 -10.663 -4.564 3.751 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.839 -2.254 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.795 -2.044 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.164 -3.653 0.576 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.779 -1.133 4.216 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.360 -0.381 5.322 1.00 0.00 C ATOM 1736 C GLN A 114 -12.872 -0.257 5.162 1.00 0.00 C ATOM 1737 O GLN A 114 -13.360 0.605 4.431 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.729 1.009 5.409 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.873 1.659 6.776 1.00 0.00 C ATOM 1740 CD GLN A 114 -12.304 2.049 7.088 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -12.905 2.863 6.386 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -12.858 1.470 8.146 1.00 0.00 N ATOM 0 H GLN A 114 -9.865 -0.797 3.911 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.154 -0.924 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.670 0.934 5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.187 1.654 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.513 0.971 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -10.241 2.546 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.323 0.801 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.819 1.694 8.405 1.00 0.00 H new