USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 846 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 98 GLN : amide:sc= 0.294 K(o=1.2,f=-1.8!) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.913 K(o=1.2,f=-0.77) USER MOD Set 1.3: A 102 GLN : amide:sc=-0.00992 K(o=1.2,f=-0.74) USER MOD Set 2.1: A 37 ASN : amide:sc= 1.62 K(o=-5,f=-10) USER MOD Set 2.2: A 77 HIS : no HE2:sc= -1.88 K(o=-5,f=-14!) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 1.67 K(o=-5,f=-21!) USER MOD Set 2.4: A 100 HIS : no HE2:sc= -2.41 K(o=-5,f=-18!) USER MOD Set 2.5: A 107 HIS : no HE2:sc= -3.99! C(o=-5!,f=-11!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -127:sc= 1.08 (180deg=-0.273) USER MOD Set 3.2: A 13 GLN : amide:sc= -1.08! C(o=-6.8e-05!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.56) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 1.23 (180deg=0.835) USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.399) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0862) USER MOD Single : A 31 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.91) USER MOD Single : A 38 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.054) USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.691) USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.872) USER MOD Single : A 46 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= -2.07! (180deg=-3.74!) USER MOD Single : A 51 TYR OH : rot 130:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= 0.238 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= -0.195 (180deg=-0.771) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.1) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= -0.011 (180deg=-0.106) USER MOD Single : A 92 GLN : amide:sc= -0.81 K(o=-0.81,f=0) USER MOD Single : A 95 SER OG : rot 78:sc= 0.447 USER MOD Single : A 105 GLN : amide:sc= -0.297 K(o=-0.3,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -9.765 -6.344 -2.073 1.00 0.00 N ATOM 106 CA LEU A 7 -8.613 -5.985 -1.251 1.00 0.00 C ATOM 107 C LEU A 7 -7.320 -6.136 -2.039 1.00 0.00 C ATOM 108 O LEU A 7 -6.416 -5.305 -1.939 1.00 0.00 O ATOM 109 CB LEU A 7 -8.555 -6.859 0.004 1.00 0.00 C ATOM 110 CG LEU A 7 -9.755 -6.742 0.941 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.546 -7.594 2.181 1.00 0.00 C ATOM 112 CD2 LEU A 7 -9.994 -5.292 1.328 1.00 0.00 C ATOM 0 HA LEU A 7 -8.725 -4.942 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.456 -7.900 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.654 -6.604 0.562 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.637 -7.106 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.411 -7.499 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.425 -8.637 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.652 -7.258 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.853 -5.231 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.112 -4.901 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.188 -4.703 0.431 1.00 0.00 H new ATOM 124 N LEU A 8 -7.254 -7.196 -2.832 1.00 0.00 N ATOM 125 CA LEU A 8 -6.078 -7.488 -3.634 1.00 0.00 C ATOM 126 C LEU A 8 -5.793 -6.346 -4.602 1.00 0.00 C ATOM 127 O LEU A 8 -4.661 -5.881 -4.714 1.00 0.00 O ATOM 128 CB LEU A 8 -6.283 -8.786 -4.418 1.00 0.00 C ATOM 129 CG LEU A 8 -6.660 -10.005 -3.574 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.836 -11.230 -4.456 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.608 -10.261 -2.511 1.00 0.00 C ATOM 0 H LEU A 8 -8.010 -7.873 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.226 -7.603 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.064 -8.623 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.366 -9.011 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.608 -9.800 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.104 -12.087 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.627 -11.045 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.903 -11.438 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.892 -11.132 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.646 -10.445 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.529 -9.390 -1.860 1.00 0.00 H new ATOM 143 N LYS A 9 -6.839 -5.889 -5.279 1.00 0.00 N ATOM 144 CA LYS A 9 -6.713 -4.845 -6.291 1.00 0.00 C ATOM 145 C LYS A 9 -6.134 -3.563 -5.693 1.00 0.00 C ATOM 146 O LYS A 9 -5.342 -2.877 -6.333 1.00 0.00 O ATOM 147 CB LYS A 9 -8.081 -4.550 -6.913 1.00 0.00 C ATOM 148 CG LYS A 9 -8.006 -3.793 -8.227 1.00 0.00 C ATOM 149 CD LYS A 9 -9.364 -3.249 -8.642 1.00 0.00 C ATOM 150 CE LYS A 9 -9.763 -2.047 -7.799 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.873 -0.879 -8.048 1.00 0.00 N ATOM 0 H LYS A 9 -7.792 -6.228 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.031 -5.204 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.606 -5.491 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.675 -3.972 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.298 -2.970 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.625 -4.453 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.337 -2.965 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.117 -4.031 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.794 -1.773 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.725 -2.315 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.495 -0.532 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.086 -1.167 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.415 -0.122 -8.510 1.00 0.00 H new ATOM 165 N ALA A 10 -6.520 -3.255 -4.458 1.00 0.00 N ATOM 166 CA ALA A 10 -6.078 -2.029 -3.804 1.00 0.00 C ATOM 167 C ALA A 10 -4.576 -2.055 -3.535 1.00 0.00 C ATOM 168 O ALA A 10 -3.866 -1.097 -3.842 1.00 0.00 O ATOM 169 CB ALA A 10 -6.853 -1.813 -2.512 1.00 0.00 C ATOM 0 H ALA A 10 -7.137 -3.837 -3.891 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.278 -1.195 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.514 -0.894 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.917 -1.734 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.684 -2.655 -1.841 1.00 0.00 H new ATOM 175 N GLU A 11 -4.090 -3.164 -2.989 1.00 0.00 N ATOM 176 CA GLU A 11 -2.665 -3.307 -2.702 1.00 0.00 C ATOM 177 C GLU A 11 -1.866 -3.396 -4.002 1.00 0.00 C ATOM 178 O GLU A 11 -0.774 -2.839 -4.106 1.00 0.00 O ATOM 179 CB GLU A 11 -2.414 -4.541 -1.833 1.00 0.00 C ATOM 180 CG GLU A 11 -2.945 -4.407 -0.411 1.00 0.00 C ATOM 181 CD GLU A 11 -2.038 -3.593 0.495 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.666 -2.470 0.162 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.663 -4.064 1.575 1.00 0.00 O ATOM 0 H GLU A 11 -4.657 -3.974 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.333 -2.426 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.878 -5.407 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.342 -4.735 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.930 -3.941 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.076 -5.401 0.016 1.00 0.00 H new ATOM 190 N GLN A 12 -2.427 -4.083 -4.994 1.00 0.00 N ATOM 191 CA GLN A 12 -1.794 -4.193 -6.299 1.00 0.00 C ATOM 192 C GLN A 12 -1.669 -2.821 -6.959 1.00 0.00 C ATOM 193 O GLN A 12 -0.679 -2.535 -7.631 1.00 0.00 O ATOM 194 CB GLN A 12 -2.589 -5.144 -7.200 1.00 0.00 C ATOM 195 CG GLN A 12 -2.546 -6.600 -6.756 1.00 0.00 C ATOM 196 CD GLN A 12 -1.151 -7.195 -6.782 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.306 -6.813 -7.594 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.902 -8.148 -5.902 1.00 0.00 N ATOM 0 H GLN A 12 -3.319 -4.571 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.792 -4.599 -6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.628 -4.815 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.202 -5.073 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.947 -6.676 -5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.197 -7.189 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.627 -8.438 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.015 -8.594 -5.879 1.00 0.00 H new ATOM 207 N GLN A 13 -2.676 -1.975 -6.759 1.00 0.00 N ATOM 208 CA GLN A 13 -2.644 -0.608 -7.272 1.00 0.00 C ATOM 209 C GLN A 13 -1.543 0.194 -6.591 1.00 0.00 C ATOM 210 O GLN A 13 -0.799 0.920 -7.254 1.00 0.00 O ATOM 211 CB GLN A 13 -3.993 0.079 -7.056 1.00 0.00 C ATOM 212 CG GLN A 13 -4.721 0.418 -8.347 1.00 0.00 C ATOM 213 CD GLN A 13 -5.205 -0.810 -9.093 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.317 -1.282 -8.867 1.00 0.00 O ATOM 215 NE2 GLN A 13 -4.384 -1.327 -9.992 1.00 0.00 N ATOM 0 H GLN A 13 -3.525 -2.212 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.438 -0.653 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.628 -0.569 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.837 0.995 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.574 1.058 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.056 0.991 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.469 -0.905 -10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.666 -2.148 -10.528 1.00 0.00 H new ATOM 224 N GLY A 14 -1.448 0.060 -5.273 1.00 0.00 N ATOM 225 CA GLY A 14 -0.391 0.727 -4.539 1.00 0.00 C ATOM 226 C GLY A 14 0.980 0.299 -5.022 1.00 0.00 C ATOM 227 O GLY A 14 1.845 1.138 -5.282 1.00 0.00 O ATOM 0 H GLY A 14 -2.083 -0.497 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.496 1.806 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.489 0.504 -3.476 1.00 0.00 H new ATOM 231 N ILE A 15 1.159 -1.011 -5.177 1.00 0.00 N ATOM 232 CA ILE A 15 2.401 -1.567 -5.703 1.00 0.00 C ATOM 233 C ILE A 15 2.685 -1.010 -7.093 1.00 0.00 C ATOM 234 O ILE A 15 3.809 -0.607 -7.392 1.00 0.00 O ATOM 235 CB ILE A 15 2.338 -3.112 -5.782 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.207 -3.721 -4.384 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.563 -3.666 -6.495 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.372 -3.404 -3.472 1.00 0.00 C ATOM 0 H ILE A 15 0.454 -1.710 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 15 3.201 -1.282 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 15 1.454 -3.386 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.288 -3.359 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.113 -4.803 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.498 -4.753 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.608 -3.264 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.462 -3.378 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.210 -3.868 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.292 -3.791 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.455 -2.324 -3.349 1.00 0.00 H new ATOM 250 N LYS A 16 1.650 -0.976 -7.925 1.00 0.00 N ATOM 251 CA LYS A 16 1.762 -0.500 -9.291 1.00 0.00 C ATOM 252 C LYS A 16 2.323 0.919 -9.344 1.00 0.00 C ATOM 253 O LYS A 16 3.195 1.217 -10.161 1.00 0.00 O ATOM 254 CB LYS A 16 0.391 -0.554 -9.966 1.00 0.00 C ATOM 255 CG LYS A 16 0.256 -1.653 -11.011 1.00 0.00 C ATOM 256 CD LYS A 16 1.331 -1.561 -12.085 1.00 0.00 C ATOM 257 CE LYS A 16 1.263 -0.247 -12.846 1.00 0.00 C ATOM 258 NZ LYS A 16 2.313 -0.171 -13.891 1.00 0.00 N ATOM 0 H LYS A 16 0.711 -1.279 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 16 2.457 -1.149 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.373 -0.698 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.192 0.408 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.315 -2.626 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.727 -1.590 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.314 -1.663 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.218 -2.391 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.281 -0.142 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.379 0.584 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.239 0.738 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.251 -0.247 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.186 -0.951 -14.568 1.00 0.00 H new ATOM 272 N ILE A 17 1.820 1.786 -8.475 1.00 0.00 N ATOM 273 CA ILE A 17 2.305 3.156 -8.410 1.00 0.00 C ATOM 274 C ILE A 17 3.730 3.195 -7.859 1.00 0.00 C ATOM 275 O ILE A 17 4.589 3.906 -8.385 1.00 0.00 O ATOM 276 CB ILE A 17 1.392 4.047 -7.538 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.056 3.955 -8.020 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.874 5.492 -7.577 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.039 4.717 -7.157 1.00 0.00 C ATOM 0 H ILE A 17 1.080 1.565 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 17 2.296 3.548 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 17 1.437 3.693 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.114 4.334 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.352 2.906 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.223 6.110 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.894 5.546 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.851 5.856 -8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.044 4.603 -7.563 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.012 4.324 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.770 5.773 -7.145 1.00 0.00 H new ATOM 291 N LEU A 18 3.979 2.405 -6.816 1.00 0.00 N ATOM 292 CA LEU A 18 5.295 2.349 -6.182 1.00 0.00 C ATOM 293 C LEU A 18 6.380 1.960 -7.187 1.00 0.00 C ATOM 294 O LEU A 18 7.499 2.471 -7.131 1.00 0.00 O ATOM 295 CB LEU A 18 5.282 1.360 -5.008 1.00 0.00 C ATOM 296 CG LEU A 18 4.392 1.749 -3.820 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.395 0.651 -2.768 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.849 3.065 -3.204 1.00 0.00 C ATOM 0 H LEU A 18 3.283 1.792 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 18 5.526 3.345 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.957 0.388 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.304 1.238 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 18 3.375 1.878 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.758 0.945 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.016 -0.273 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.412 0.493 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.202 3.318 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.876 2.965 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.797 3.855 -3.953 1.00 0.00 H new ATOM 310 N LYS A 19 6.038 1.059 -8.107 1.00 0.00 N ATOM 311 CA LYS A 19 6.962 0.631 -9.160 1.00 0.00 C ATOM 312 C LYS A 19 7.453 1.829 -9.973 1.00 0.00 C ATOM 313 O LYS A 19 8.647 1.966 -10.248 1.00 0.00 O ATOM 314 CB LYS A 19 6.264 -0.353 -10.105 1.00 0.00 C ATOM 315 CG LYS A 19 5.824 -1.656 -9.452 1.00 0.00 C ATOM 316 CD LYS A 19 6.929 -2.698 -9.450 1.00 0.00 C ATOM 317 CE LYS A 19 6.470 -3.988 -8.784 1.00 0.00 C ATOM 318 NZ LYS A 19 7.411 -5.114 -9.036 1.00 0.00 N ATOM 0 H LYS A 19 5.124 0.609 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 19 7.814 0.148 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.390 0.135 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.938 -0.585 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.511 -1.459 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.956 -2.050 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.239 -2.905 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.801 -2.306 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.377 -3.828 -7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.480 -4.254 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.060 -5.972 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.481 -5.285 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.350 -4.872 -8.660 1.00 0.00 H new ATOM 332 N GLU A 20 6.518 2.693 -10.340 1.00 0.00 N ATOM 333 CA GLU A 20 6.813 3.843 -11.184 1.00 0.00 C ATOM 334 C GLU A 20 7.551 4.923 -10.400 1.00 0.00 C ATOM 335 O GLU A 20 8.402 5.626 -10.947 1.00 0.00 O ATOM 336 CB GLU A 20 5.522 4.405 -11.774 1.00 0.00 C ATOM 337 CG GLU A 20 4.720 3.380 -12.560 1.00 0.00 C ATOM 338 CD GLU A 20 5.495 2.785 -13.720 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.553 3.425 -14.788 1.00 0.00 O ATOM 340 OE2 GLU A 20 6.045 1.672 -13.569 1.00 0.00 O ATOM 0 H GLU A 20 5.539 2.618 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 20 7.461 3.514 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.903 4.798 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.765 5.244 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.408 2.579 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.813 3.850 -12.939 1.00 0.00 H new ATOM 347 N VAL A 21 7.222 5.054 -9.117 1.00 0.00 N ATOM 348 CA VAL A 21 7.873 6.032 -8.247 1.00 0.00 C ATOM 349 C VAL A 21 9.372 5.772 -8.165 1.00 0.00 C ATOM 350 O VAL A 21 10.171 6.702 -8.211 1.00 0.00 O ATOM 351 CB VAL A 21 7.279 6.008 -6.824 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.006 6.983 -5.908 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.795 6.326 -6.863 1.00 0.00 C ATOM 0 H VAL A 21 6.506 4.493 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 21 7.697 7.014 -8.685 1.00 0.00 H new ATOM 0 HB VAL A 21 7.412 5.004 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.565 6.944 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.060 6.710 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.914 7.994 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.392 6.305 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.646 7.317 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.280 5.585 -7.474 1.00 0.00 H new ATOM 363 N LEU A 22 9.744 4.499 -8.072 1.00 0.00 N ATOM 364 CA LEU A 22 11.151 4.111 -8.029 1.00 0.00 C ATOM 365 C LEU A 22 11.892 4.634 -9.260 1.00 0.00 C ATOM 366 O LEU A 22 13.057 5.025 -9.183 1.00 0.00 O ATOM 367 CB LEU A 22 11.281 2.588 -7.937 1.00 0.00 C ATOM 368 CG LEU A 22 10.669 1.956 -6.684 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.806 0.443 -6.730 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.326 2.516 -5.429 1.00 0.00 C ATOM 0 H LEU A 22 9.090 3.717 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 22 11.603 4.554 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.810 2.146 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.338 2.327 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 22 9.608 2.204 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.366 0.010 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.290 0.057 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.861 0.175 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.879 2.056 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.394 2.299 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.176 3.595 -5.390 1.00 0.00 H new ATOM 382 N LYS A 23 11.192 4.649 -10.389 1.00 0.00 N ATOM 383 CA LYS A 23 11.746 5.149 -11.641 1.00 0.00 C ATOM 384 C LYS A 23 11.876 6.668 -11.606 1.00 0.00 C ATOM 385 O LYS A 23 12.912 7.224 -11.967 1.00 0.00 O ATOM 386 CB LYS A 23 10.846 4.751 -12.810 1.00 0.00 C ATOM 387 CG LYS A 23 10.628 3.257 -12.939 1.00 0.00 C ATOM 388 CD LYS A 23 9.548 2.953 -13.960 1.00 0.00 C ATOM 389 CE LYS A 23 9.333 1.462 -14.121 1.00 0.00 C ATOM 390 NZ LYS A 23 8.198 1.171 -15.032 1.00 0.00 N ATOM 0 H LYS A 23 10.230 4.317 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 23 12.735 4.710 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.879 5.240 -12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.283 5.125 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.559 2.774 -13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.346 2.842 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.614 3.424 -13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.823 3.387 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.241 1.003 -14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.142 1.013 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.426 0.342 -15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.344 0.975 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.027 1.992 -15.647 1.00 0.00 H new ATOM 404 N LYS A 24 10.816 7.330 -11.160 1.00 0.00 N ATOM 405 CA LYS A 24 10.760 8.787 -11.167 1.00 0.00 C ATOM 406 C LYS A 24 11.651 9.395 -10.094 1.00 0.00 C ATOM 407 O LYS A 24 12.132 10.521 -10.239 1.00 0.00 O ATOM 408 CB LYS A 24 9.314 9.262 -11.016 1.00 0.00 C ATOM 409 CG LYS A 24 8.500 9.092 -12.289 1.00 0.00 C ATOM 410 CD LYS A 24 9.133 9.858 -13.439 1.00 0.00 C ATOM 411 CE LYS A 24 8.421 9.620 -14.759 1.00 0.00 C ATOM 412 NZ LYS A 24 9.095 10.345 -15.870 1.00 0.00 N ATOM 0 H LYS A 24 9.980 6.879 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 24 11.142 9.131 -12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.837 8.707 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.310 10.313 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.432 8.034 -12.544 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.482 9.447 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.122 10.924 -13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.178 9.564 -13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.400 8.552 -14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.385 9.950 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.457 11.075 -16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.964 10.794 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.336 9.674 -16.627 1.00 0.00 H new ATOM 426 N ALA A 25 11.881 8.651 -9.024 1.00 0.00 N ATOM 427 CA ALA A 25 12.823 9.070 -8.000 1.00 0.00 C ATOM 428 C ALA A 25 14.239 9.044 -8.562 1.00 0.00 C ATOM 429 O ALA A 25 15.066 9.895 -8.246 1.00 0.00 O ATOM 430 CB ALA A 25 12.717 8.173 -6.775 1.00 0.00 C ATOM 0 H ALA A 25 11.429 7.755 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 25 12.582 10.088 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.430 8.503 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.707 8.229 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.938 7.144 -7.058 1.00 0.00 H new ATOM 436 N LYS A 26 14.492 8.065 -9.424 1.00 0.00 N ATOM 437 CA LYS A 26 15.794 7.907 -10.060 1.00 0.00 C ATOM 438 C LYS A 26 16.010 8.999 -11.113 1.00 0.00 C ATOM 439 O LYS A 26 17.141 9.278 -11.513 1.00 0.00 O ATOM 440 CB LYS A 26 15.894 6.517 -10.697 1.00 0.00 C ATOM 441 CG LYS A 26 17.308 6.123 -11.092 1.00 0.00 C ATOM 442 CD LYS A 26 17.355 4.713 -11.662 1.00 0.00 C ATOM 443 CE LYS A 26 18.783 4.259 -11.916 1.00 0.00 C ATOM 444 NZ LYS A 26 19.489 5.139 -12.884 1.00 0.00 N ATOM 0 H LYS A 26 13.805 7.363 -9.700 1.00 0.00 H new ATOM 0 HA LYS A 26 16.573 8.005 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.503 5.778 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.258 6.486 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.691 6.828 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.961 6.187 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.871 4.024 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.790 4.678 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.331 4.245 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.775 3.237 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.408 4.718 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.913 5.241 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.641 6.075 -12.456 1.00 0.00 H new ATOM 458 N GLU A 27 14.911 9.597 -11.570 1.00 0.00 N ATOM 459 CA GLU A 27 14.969 10.716 -12.504 1.00 0.00 C ATOM 460 C GLU A 27 15.156 12.032 -11.759 1.00 0.00 C ATOM 461 O GLU A 27 15.621 13.020 -12.329 1.00 0.00 O ATOM 462 CB GLU A 27 13.690 10.788 -13.341 1.00 0.00 C ATOM 463 CG GLU A 27 13.508 9.617 -14.287 1.00 0.00 C ATOM 464 CD GLU A 27 12.221 9.701 -15.081 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.747 10.826 -15.349 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.664 8.640 -15.431 1.00 0.00 O ATOM 0 H GLU A 27 13.965 9.322 -11.306 1.00 0.00 H new ATOM 0 HA GLU A 27 15.822 10.553 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.832 10.838 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.697 11.712 -13.919 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.352 9.577 -14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.518 8.689 -13.716 1.00 0.00 H new ATOM 473 N GLY A 28 14.788 12.037 -10.484 1.00 0.00 N ATOM 474 CA GLY A 28 14.859 13.248 -9.693 1.00 0.00 C ATOM 475 C GLY A 28 13.821 14.265 -10.122 1.00 0.00 C ATOM 476 O GLY A 28 14.094 15.465 -10.161 1.00 0.00 O ATOM 0 H GLY A 28 14.440 11.220 -9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.714 13.003 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.854 13.684 -9.785 1.00 0.00 H new ATOM 480 N ASP A 29 12.630 13.781 -10.449 1.00 0.00 N ATOM 481 CA ASP A 29 11.559 14.648 -10.928 1.00 0.00 C ATOM 482 C ASP A 29 10.545 14.906 -9.820 1.00 0.00 C ATOM 483 O ASP A 29 9.764 14.024 -9.463 1.00 0.00 O ATOM 484 CB ASP A 29 10.859 14.010 -12.129 1.00 0.00 C ATOM 485 CG ASP A 29 9.984 14.992 -12.881 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.119 15.642 -12.254 1.00 0.00 O ATOM 487 OD2 ASP A 29 10.170 15.130 -14.108 1.00 0.00 O ATOM 0 H ASP A 29 12.380 12.794 -10.392 1.00 0.00 H new ATOM 0 HA ASP A 29 11.998 15.598 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.608 13.603 -12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.250 13.173 -11.788 1.00 0.00 H new ATOM 492 N GLU A 30 10.560 16.119 -9.283 1.00 0.00 N ATOM 493 CA GLU A 30 9.675 16.485 -8.180 1.00 0.00 C ATOM 494 C GLU A 30 8.218 16.556 -8.621 1.00 0.00 C ATOM 495 O GLU A 30 7.314 16.292 -7.828 1.00 0.00 O ATOM 496 CB GLU A 30 10.080 17.837 -7.602 1.00 0.00 C ATOM 497 CG GLU A 30 11.462 17.861 -6.976 1.00 0.00 C ATOM 498 CD GLU A 30 11.875 19.262 -6.582 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.527 19.701 -5.467 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.536 19.934 -7.397 1.00 0.00 O ATOM 0 H GLU A 30 11.177 16.870 -9.593 1.00 0.00 H new ATOM 0 HA GLU A 30 9.771 15.708 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.040 18.584 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.348 18.131 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.474 17.217 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.187 17.452 -7.680 1.00 0.00 H new ATOM 507 N GLN A 31 7.981 16.938 -9.868 1.00 0.00 N ATOM 508 CA GLN A 31 6.629 17.080 -10.369 1.00 0.00 C ATOM 509 C GLN A 31 5.972 15.714 -10.519 1.00 0.00 C ATOM 510 O GLN A 31 4.833 15.510 -10.094 1.00 0.00 O ATOM 511 CB GLN A 31 6.635 17.830 -11.698 1.00 0.00 C ATOM 512 CG GLN A 31 7.183 19.246 -11.591 1.00 0.00 C ATOM 513 CD GLN A 31 6.989 20.046 -12.862 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.022 19.843 -13.594 1.00 0.00 O ATOM 515 NE2 GLN A 31 7.909 20.957 -13.137 1.00 0.00 N ATOM 0 H GLN A 31 8.710 17.154 -10.548 1.00 0.00 H new ATOM 0 HA GLN A 31 6.047 17.659 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.231 17.271 -12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.618 17.870 -12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.692 19.760 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.246 19.203 -11.353 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.696 21.094 -12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.831 21.522 -13.983 1.00 0.00 H new ATOM 524 N GLU A 32 6.707 14.776 -11.105 1.00 0.00 N ATOM 525 CA GLU A 32 6.233 13.407 -11.234 1.00 0.00 C ATOM 526 C GLU A 32 6.077 12.769 -9.860 1.00 0.00 C ATOM 527 O GLU A 32 5.072 12.113 -9.580 1.00 0.00 O ATOM 528 CB GLU A 32 7.198 12.585 -12.089 1.00 0.00 C ATOM 529 CG GLU A 32 7.250 13.033 -13.542 1.00 0.00 C ATOM 530 CD GLU A 32 5.959 12.753 -14.281 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.908 13.293 -13.883 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.992 11.995 -15.277 1.00 0.00 O ATOM 0 H GLU A 32 7.634 14.941 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 32 5.260 13.424 -11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.198 12.651 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.903 11.536 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.464 14.101 -13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.071 12.524 -14.047 1.00 0.00 H new ATOM 539 N LEU A 33 7.070 12.984 -9.002 1.00 0.00 N ATOM 540 CA LEU A 33 7.036 12.459 -7.641 1.00 0.00 C ATOM 541 C LEU A 33 5.837 12.990 -6.870 1.00 0.00 C ATOM 542 O LEU A 33 5.184 12.244 -6.149 1.00 0.00 O ATOM 543 CB LEU A 33 8.331 12.798 -6.899 1.00 0.00 C ATOM 544 CG LEU A 33 9.526 11.908 -7.241 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.760 12.358 -6.477 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.209 10.453 -6.929 1.00 0.00 C ATOM 0 H LEU A 33 7.909 13.519 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 33 6.941 11.375 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.595 13.833 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.145 12.734 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 33 9.730 11.997 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.601 11.714 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.998 13.388 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.568 12.296 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.069 9.832 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.981 10.350 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.349 10.134 -7.517 1.00 0.00 H new ATOM 558 N ALA A 34 5.540 14.273 -7.036 1.00 0.00 N ATOM 559 CA ALA A 34 4.406 14.884 -6.352 1.00 0.00 C ATOM 560 C ALA A 34 3.092 14.259 -6.808 1.00 0.00 C ATOM 561 O ALA A 34 2.234 13.930 -5.989 1.00 0.00 O ATOM 562 CB ALA A 34 4.386 16.386 -6.587 1.00 0.00 C ATOM 0 H ALA A 34 6.066 14.909 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 34 4.519 14.700 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.533 16.824 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.307 16.826 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.303 16.586 -7.655 1.00 0.00 H new ATOM 568 N ARG A 35 2.952 14.090 -8.117 1.00 0.00 N ATOM 569 CA ARG A 35 1.752 13.504 -8.695 1.00 0.00 C ATOM 570 C ARG A 35 1.581 12.070 -8.215 1.00 0.00 C ATOM 571 O ARG A 35 0.507 11.676 -7.760 1.00 0.00 O ATOM 572 CB ARG A 35 1.860 13.519 -10.221 1.00 0.00 C ATOM 573 CG ARG A 35 0.526 13.591 -10.932 1.00 0.00 C ATOM 574 CD ARG A 35 0.659 13.238 -12.410 1.00 0.00 C ATOM 575 NE ARG A 35 1.888 13.771 -13.009 1.00 0.00 N ATOM 576 CZ ARG A 35 1.920 14.697 -13.968 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.800 15.233 -14.433 1.00 0.00 N ATOM 578 NH2 ARG A 35 3.080 15.070 -14.480 1.00 0.00 N ATOM 0 H ARG A 35 3.661 14.353 -8.802 1.00 0.00 H new ATOM 0 HA ARG A 35 0.888 14.089 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.468 14.372 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.386 12.621 -10.547 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.178 12.909 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.114 14.595 -10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.644 12.154 -12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.203 13.627 -12.952 1.00 0.00 H new ATOM 0 HE ARG A 35 2.779 13.408 -12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.101 14.938 -14.057 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.839 15.940 -15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.946 14.650 -14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.110 15.778 -15.214 1.00 0.00 H new ATOM 592 N LEU A 36 2.657 11.301 -8.308 1.00 0.00 N ATOM 593 CA LEU A 36 2.635 9.905 -7.905 1.00 0.00 C ATOM 594 C LEU A 36 2.374 9.772 -6.411 1.00 0.00 C ATOM 595 O LEU A 36 1.536 8.976 -5.997 1.00 0.00 O ATOM 596 CB LEU A 36 3.955 9.225 -8.279 1.00 0.00 C ATOM 597 CG LEU A 36 4.215 9.100 -9.782 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.570 8.461 -10.037 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.114 8.293 -10.450 1.00 0.00 C ATOM 0 H LEU A 36 3.558 11.623 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 36 1.821 9.410 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.775 9.785 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.970 8.228 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 36 4.218 10.101 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.738 8.380 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.352 9.077 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.593 7.467 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.317 8.215 -11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.079 7.295 -10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.156 8.789 -10.298 1.00 0.00 H new ATOM 611 N ASN A 37 3.068 10.577 -5.617 1.00 0.00 N ATOM 612 CA ASN A 37 2.913 10.555 -4.163 1.00 0.00 C ATOM 613 C ASN A 37 1.464 10.833 -3.780 1.00 0.00 C ATOM 614 O ASN A 37 0.888 10.154 -2.929 1.00 0.00 O ATOM 615 CB ASN A 37 3.824 11.601 -3.516 1.00 0.00 C ATOM 616 CG ASN A 37 3.854 11.491 -2.005 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.782 10.399 -1.453 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.957 12.623 -1.326 1.00 0.00 N ATOM 0 H ASN A 37 3.748 11.258 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 37 3.193 9.565 -3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.836 11.487 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.484 12.598 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.979 12.606 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.015 13.512 -1.823 1.00 0.00 H new ATOM 625 N GLN A 38 0.880 11.827 -4.434 1.00 0.00 N ATOM 626 CA GLN A 38 -0.505 12.195 -4.197 1.00 0.00 C ATOM 627 C GLN A 38 -1.445 11.044 -4.531 1.00 0.00 C ATOM 628 O GLN A 38 -2.374 10.753 -3.776 1.00 0.00 O ATOM 629 CB GLN A 38 -0.864 13.434 -5.022 1.00 0.00 C ATOM 630 CG GLN A 38 -1.074 14.690 -4.184 1.00 0.00 C ATOM 631 CD GLN A 38 -2.410 14.730 -3.450 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.947 15.807 -3.195 1.00 0.00 O ATOM 633 NE2 GLN A 38 -2.967 13.574 -3.112 1.00 0.00 N ATOM 0 H GLN A 38 1.350 12.396 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.622 12.425 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.071 13.620 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.772 13.231 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.268 14.766 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.001 15.563 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.498 12.697 -3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.864 13.563 -2.627 1.00 0.00 H new ATOM 642 N GLU A 39 -1.200 10.391 -5.657 1.00 0.00 N ATOM 643 CA GLU A 39 -2.030 9.276 -6.089 1.00 0.00 C ATOM 644 C GLU A 39 -1.812 8.035 -5.221 1.00 0.00 C ATOM 645 O GLU A 39 -2.721 7.213 -5.073 1.00 0.00 O ATOM 646 CB GLU A 39 -1.813 8.973 -7.570 1.00 0.00 C ATOM 647 CG GLU A 39 -2.210 10.138 -8.469 1.00 0.00 C ATOM 648 CD GLU A 39 -3.557 10.731 -8.094 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.594 10.228 -8.574 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.589 11.705 -7.310 1.00 0.00 O ATOM 0 H GLU A 39 -0.432 10.614 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.071 9.573 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.764 8.730 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.392 8.092 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.447 10.914 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.242 9.799 -9.504 1.00 0.00 H new ATOM 657 N ILE A 40 -0.611 7.884 -4.671 1.00 0.00 N ATOM 658 CA ILE A 40 -0.348 6.826 -3.697 1.00 0.00 C ATOM 659 C ILE A 40 -1.316 6.956 -2.531 1.00 0.00 C ATOM 660 O ILE A 40 -1.962 5.985 -2.138 1.00 0.00 O ATOM 661 CB ILE A 40 1.096 6.874 -3.147 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.111 6.608 -4.258 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.273 5.867 -2.013 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.546 6.760 -3.809 1.00 0.00 C ATOM 0 H ILE A 40 0.192 8.476 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.481 5.875 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 40 1.274 7.875 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.963 5.598 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.922 7.293 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.296 5.916 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.580 6.103 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.070 4.862 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.213 6.557 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.710 7.777 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.752 6.056 -3.003 1.00 0.00 H new ATOM 676 N VAL A 41 -1.425 8.171 -2.000 1.00 0.00 N ATOM 677 CA VAL A 41 -2.361 8.458 -0.918 1.00 0.00 C ATOM 678 C VAL A 41 -3.778 8.063 -1.323 1.00 0.00 C ATOM 679 O VAL A 41 -4.525 7.497 -0.529 1.00 0.00 O ATOM 680 CB VAL A 41 -2.332 9.953 -0.525 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.295 10.236 0.619 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.918 10.379 -0.149 1.00 0.00 C ATOM 0 H VAL A 41 -0.875 8.975 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.053 7.871 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.653 10.535 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.254 11.295 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.309 9.975 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.013 9.641 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.917 11.434 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.571 9.784 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.253 10.224 -0.999 1.00 0.00 H new ATOM 692 N LYS A 42 -4.130 8.350 -2.572 1.00 0.00 N ATOM 693 CA LYS A 42 -5.441 7.982 -3.111 1.00 0.00 C ATOM 694 C LYS A 42 -5.655 6.470 -3.014 1.00 0.00 C ATOM 695 O LYS A 42 -6.701 6.006 -2.557 1.00 0.00 O ATOM 696 CB LYS A 42 -5.560 8.408 -4.580 1.00 0.00 C ATOM 697 CG LYS A 42 -5.252 9.874 -4.842 1.00 0.00 C ATOM 698 CD LYS A 42 -6.333 10.796 -4.308 1.00 0.00 C ATOM 699 CE LYS A 42 -6.042 12.244 -4.661 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.894 12.440 -6.131 1.00 0.00 N ATOM 0 H LYS A 42 -3.526 8.837 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.200 8.496 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.884 7.796 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.572 8.196 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.299 10.130 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.140 10.033 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.299 10.505 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.403 10.690 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.848 12.877 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.129 12.563 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.262 13.376 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.889 12.377 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.428 11.703 -6.635 1.00 0.00 H new ATOM 714 N ALA A 43 -4.647 5.711 -3.435 1.00 0.00 N ATOM 715 CA ALA A 43 -4.737 4.255 -3.478 1.00 0.00 C ATOM 716 C ALA A 43 -4.757 3.653 -2.078 1.00 0.00 C ATOM 717 O ALA A 43 -5.600 2.811 -1.773 1.00 0.00 O ATOM 718 CB ALA A 43 -3.582 3.677 -4.285 1.00 0.00 C ATOM 0 H ALA A 43 -3.753 6.084 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.677 3.995 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.662 2.590 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.619 4.066 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.637 3.961 -3.822 1.00 0.00 H new ATOM 724 N GLU A 44 -3.838 4.101 -1.230 1.00 0.00 N ATOM 725 CA GLU A 44 -3.751 3.604 0.140 1.00 0.00 C ATOM 726 C GLU A 44 -5.054 3.891 0.898 1.00 0.00 C ATOM 727 O GLU A 44 -5.604 3.008 1.550 1.00 0.00 O ATOM 728 CB GLU A 44 -2.559 4.246 0.865 1.00 0.00 C ATOM 729 CG GLU A 44 -1.201 3.995 0.209 1.00 0.00 C ATOM 730 CD GLU A 44 -0.567 2.668 0.593 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.865 1.642 -0.017 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.271 2.631 1.515 1.00 0.00 O ATOM 0 H GLU A 44 -3.142 4.808 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.600 2.525 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.725 5.322 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.528 3.870 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.320 4.030 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.522 4.803 0.481 1.00 0.00 H new ATOM 739 N LYS A 45 -5.561 5.123 0.776 1.00 0.00 N ATOM 740 CA LYS A 45 -6.813 5.516 1.434 1.00 0.00 C ATOM 741 C LYS A 45 -7.990 4.692 0.923 1.00 0.00 C ATOM 742 O LYS A 45 -8.844 4.260 1.702 1.00 0.00 O ATOM 743 CB LYS A 45 -7.114 7.000 1.205 1.00 0.00 C ATOM 744 CG LYS A 45 -6.280 7.953 2.037 1.00 0.00 C ATOM 745 CD LYS A 45 -6.575 7.792 3.513 1.00 0.00 C ATOM 746 CE LYS A 45 -5.806 8.804 4.344 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.954 8.567 5.801 1.00 0.00 N ATOM 0 H LYS A 45 -5.124 5.865 0.228 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.681 5.332 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.959 7.229 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.168 7.180 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.221 7.770 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.484 8.980 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.644 7.913 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.312 6.783 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.750 8.762 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.156 9.808 4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.899 9.474 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.875 8.121 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.192 7.940 6.130 1.00 0.00 H new ATOM 761 N GLN A 46 -8.037 4.490 -0.390 1.00 0.00 N ATOM 762 CA GLN A 46 -9.117 3.733 -1.010 1.00 0.00 C ATOM 763 C GLN A 46 -9.077 2.290 -0.515 1.00 0.00 C ATOM 764 O GLN A 46 -10.108 1.713 -0.166 1.00 0.00 O ATOM 765 CB GLN A 46 -9.002 3.801 -2.538 1.00 0.00 C ATOM 766 CG GLN A 46 -10.283 3.448 -3.285 1.00 0.00 C ATOM 767 CD GLN A 46 -10.535 1.958 -3.392 1.00 0.00 C ATOM 768 OE1 GLN A 46 -9.604 1.158 -3.467 1.00 0.00 O ATOM 769 NE2 GLN A 46 -11.802 1.574 -3.404 1.00 0.00 N ATOM 0 H GLN A 46 -7.338 4.841 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.076 4.168 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.697 4.808 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.210 3.125 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.128 3.915 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.237 3.873 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.546 2.269 -3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.034 0.583 -3.477 1.00 0.00 H new ATOM 778 N GLY A 47 -7.873 1.734 -0.461 1.00 0.00 N ATOM 779 CA GLY A 47 -7.693 0.392 0.050 1.00 0.00 C ATOM 780 C GLY A 47 -8.164 0.261 1.482 1.00 0.00 C ATOM 781 O GLY A 47 -8.896 -0.668 1.811 1.00 0.00 O ATOM 0 H GLY A 47 -7.014 2.193 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.241 -0.311 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.639 0.119 -0.011 1.00 0.00 H new ATOM 785 N VAL A 48 -7.766 1.212 2.322 1.00 0.00 N ATOM 786 CA VAL A 48 -8.180 1.234 3.722 1.00 0.00 C ATOM 787 C VAL A 48 -9.700 1.185 3.844 1.00 0.00 C ATOM 788 O VAL A 48 -10.240 0.484 4.698 1.00 0.00 O ATOM 789 CB VAL A 48 -7.651 2.491 4.447 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.257 2.615 5.839 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.135 2.453 4.534 1.00 0.00 C ATOM 0 H VAL A 48 -7.153 1.983 2.055 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.753 0.349 4.194 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.948 3.365 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.867 3.508 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.341 2.689 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.996 1.736 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.778 3.346 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.824 1.567 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.714 2.419 3.529 1.00 0.00 H new ATOM 801 N LYS A 49 -10.386 1.911 2.971 1.00 0.00 N ATOM 802 CA LYS A 49 -11.841 1.960 2.997 1.00 0.00 C ATOM 803 C LYS A 49 -12.430 0.588 2.678 1.00 0.00 C ATOM 804 O LYS A 49 -13.378 0.141 3.329 1.00 0.00 O ATOM 805 CB LYS A 49 -12.350 3.005 2.000 1.00 0.00 C ATOM 806 CG LYS A 49 -13.818 3.362 2.181 1.00 0.00 C ATOM 807 CD LYS A 49 -14.095 3.977 3.550 1.00 0.00 C ATOM 808 CE LYS A 49 -13.689 5.448 3.631 1.00 0.00 C ATOM 809 NZ LYS A 49 -12.228 5.659 3.438 1.00 0.00 N ATOM 0 H LYS A 49 -9.958 2.474 2.236 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.162 2.245 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.751 3.910 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.199 2.631 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.119 4.062 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.426 2.466 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.157 3.885 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.557 3.414 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.235 6.012 2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.983 5.848 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.931 6.518 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.707 4.840 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.024 5.767 2.424 1.00 0.00 H new ATOM 823 N VAL A 50 -11.856 -0.089 1.691 1.00 0.00 N ATOM 824 CA VAL A 50 -12.300 -1.433 1.333 1.00 0.00 C ATOM 825 C VAL A 50 -11.934 -2.421 2.439 1.00 0.00 C ATOM 826 O VAL A 50 -12.690 -3.345 2.742 1.00 0.00 O ATOM 827 CB VAL A 50 -11.686 -1.909 -0.002 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.297 -3.232 -0.435 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.871 -0.860 -1.087 1.00 0.00 C ATOM 0 H VAL A 50 -11.085 0.267 1.126 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.383 -1.393 1.212 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.617 -2.057 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.850 -3.548 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.108 -3.987 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.372 -3.111 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.431 -1.218 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.935 -0.675 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.380 0.066 -0.786 1.00 0.00 H new ATOM 839 N TYR A 51 -10.771 -2.215 3.045 1.00 0.00 N ATOM 840 CA TYR A 51 -10.341 -3.040 4.165 1.00 0.00 C ATOM 841 C TYR A 51 -11.265 -2.856 5.362 1.00 0.00 C ATOM 842 O TYR A 51 -11.583 -3.818 6.051 1.00 0.00 O ATOM 843 CB TYR A 51 -8.897 -2.726 4.560 1.00 0.00 C ATOM 844 CG TYR A 51 -7.860 -3.503 3.778 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.550 -4.810 4.130 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.193 -2.940 2.700 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.608 -5.534 3.429 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.246 -3.658 1.994 1.00 0.00 C ATOM 849 CZ TYR A 51 -5.958 -4.956 2.363 1.00 0.00 C ATOM 850 OH TYR A 51 -5.021 -5.679 1.665 1.00 0.00 O ATOM 0 H TYR A 51 -10.110 -1.485 2.780 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.390 -4.081 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.717 -1.660 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.768 -2.936 5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.055 -5.268 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.417 -1.925 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.382 -6.550 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.734 -3.205 1.158 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.212 -5.622 0.705 1.00 0.00 H new ATOM 860 N LYS A 52 -11.699 -1.618 5.603 1.00 0.00 N ATOM 861 CA LYS A 52 -12.655 -1.334 6.670 1.00 0.00 C ATOM 862 C LYS A 52 -13.940 -2.132 6.464 1.00 0.00 C ATOM 863 O LYS A 52 -14.590 -2.548 7.424 1.00 0.00 O ATOM 864 CB LYS A 52 -12.973 0.170 6.733 1.00 0.00 C ATOM 865 CG LYS A 52 -11.878 1.029 7.360 1.00 0.00 C ATOM 866 CD LYS A 52 -11.570 0.605 8.790 1.00 0.00 C ATOM 867 CE LYS A 52 -10.613 1.579 9.469 1.00 0.00 C ATOM 868 NZ LYS A 52 -10.057 1.036 10.742 1.00 0.00 N ATOM 0 H LYS A 52 -11.403 -0.798 5.073 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.203 -1.633 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.163 0.530 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.894 0.309 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.972 0.958 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.187 2.074 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.497 0.547 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.133 -0.394 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.794 1.813 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.135 2.514 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.305 1.670 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.455 0.092 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.022 0.967 10.667 1.00 0.00 H new ATOM 882 N GLU A 53 -14.289 -2.350 5.204 1.00 0.00 N ATOM 883 CA GLU A 53 -15.460 -3.138 4.860 1.00 0.00 C ATOM 884 C GLU A 53 -15.258 -4.604 5.248 1.00 0.00 C ATOM 885 O GLU A 53 -16.104 -5.204 5.907 1.00 0.00 O ATOM 886 CB GLU A 53 -15.737 -3.022 3.357 1.00 0.00 C ATOM 887 CG GLU A 53 -16.983 -3.759 2.899 1.00 0.00 C ATOM 888 CD GLU A 53 -18.254 -3.158 3.455 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.648 -3.522 4.582 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.869 -2.321 2.764 1.00 0.00 O ATOM 0 H GLU A 53 -13.774 -1.989 4.401 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.316 -2.753 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.835 -1.968 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.877 -3.408 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.027 -3.748 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.916 -4.803 3.205 1.00 0.00 H new ATOM 897 N ALA A 54 -14.132 -5.170 4.828 1.00 0.00 N ATOM 898 CA ALA A 54 -13.839 -6.583 5.057 1.00 0.00 C ATOM 899 C ALA A 54 -13.476 -6.885 6.513 1.00 0.00 C ATOM 900 O ALA A 54 -13.987 -7.837 7.095 1.00 0.00 O ATOM 901 CB ALA A 54 -12.725 -7.041 4.130 1.00 0.00 C ATOM 0 H ALA A 54 -13.401 -4.669 4.323 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.751 -7.138 4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.514 -8.095 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.034 -6.903 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.827 -6.454 4.322 1.00 0.00 H new ATOM 907 N ALA A 55 -12.593 -6.079 7.095 1.00 0.00 N ATOM 908 CA ALA A 55 -12.060 -6.355 8.431 1.00 0.00 C ATOM 909 C ALA A 55 -13.149 -6.323 9.494 1.00 0.00 C ATOM 910 O ALA A 55 -13.176 -7.161 10.394 1.00 0.00 O ATOM 911 CB ALA A 55 -10.960 -5.369 8.778 1.00 0.00 C ATOM 0 H ALA A 55 -12.230 -5.229 6.665 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.644 -7.363 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.575 -5.589 9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.153 -5.454 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.361 -4.355 8.759 1.00 0.00 H new ATOM 917 N GLU A 56 -14.058 -5.367 9.381 1.00 0.00 N ATOM 918 CA GLU A 56 -15.146 -5.236 10.341 1.00 0.00 C ATOM 919 C GLU A 56 -16.236 -6.277 10.079 1.00 0.00 C ATOM 920 O GLU A 56 -17.237 -6.335 10.794 1.00 0.00 O ATOM 921 CB GLU A 56 -15.741 -3.829 10.274 1.00 0.00 C ATOM 922 CG GLU A 56 -14.773 -2.728 10.683 1.00 0.00 C ATOM 923 CD GLU A 56 -14.401 -2.785 12.149 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.292 -2.569 12.999 1.00 0.00 O ATOM 925 OE2 GLU A 56 -13.219 -3.038 12.463 1.00 0.00 O ATOM 0 H GLU A 56 -14.065 -4.671 8.636 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.741 -5.407 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.083 -3.638 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.618 -3.785 10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.868 -2.805 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.220 -1.758 10.464 1.00 0.00 H new ATOM 932 N LYS A 57 -16.033 -7.088 9.050 1.00 0.00 N ATOM 933 CA LYS A 57 -16.990 -8.103 8.655 1.00 0.00 C ATOM 934 C LYS A 57 -16.301 -9.453 8.474 1.00 0.00 C ATOM 935 O LYS A 57 -16.777 -10.310 7.727 1.00 0.00 O ATOM 936 CB LYS A 57 -17.651 -7.673 7.350 1.00 0.00 C ATOM 937 CG LYS A 57 -18.690 -6.576 7.521 1.00 0.00 C ATOM 938 CD LYS A 57 -19.874 -7.051 8.350 1.00 0.00 C ATOM 939 CE LYS A 57 -20.826 -5.911 8.668 1.00 0.00 C ATOM 940 NZ LYS A 57 -22.053 -6.385 9.358 1.00 0.00 N ATOM 0 H LYS A 57 -15.197 -7.058 8.467 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.743 -8.212 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.881 -7.327 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.124 -8.541 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.232 -5.712 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.039 -6.248 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.408 -7.832 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.514 -7.495 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.318 -5.179 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -21.103 -5.402 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -22.675 -5.575 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -22.553 -7.064 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.792 -6.848 10.252 1.00 0.00 H new ATOM 954 N ALA A 58 -15.180 -9.637 9.167 1.00 0.00 N ATOM 955 CA ALA A 58 -14.392 -10.857 9.036 1.00 0.00 C ATOM 956 C ALA A 58 -15.060 -12.028 9.751 1.00 0.00 C ATOM 957 O ALA A 58 -15.850 -11.839 10.677 1.00 0.00 O ATOM 958 CB ALA A 58 -12.985 -10.639 9.564 1.00 0.00 C ATOM 0 H ALA A 58 -14.798 -8.957 9.824 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.332 -11.106 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.410 -11.559 9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.503 -9.843 8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.031 -10.358 10.616 1.00 0.00 H new ATOM 964 N ARG A 59 -14.720 -13.237 9.321 1.00 0.00 N ATOM 965 CA ARG A 59 -15.373 -14.445 9.807 1.00 0.00 C ATOM 966 C ARG A 59 -14.658 -15.016 11.027 1.00 0.00 C ATOM 967 O ARG A 59 -15.296 -15.502 11.961 1.00 0.00 O ATOM 968 CB ARG A 59 -15.402 -15.487 8.691 1.00 0.00 C ATOM 969 CG ARG A 59 -16.536 -16.487 8.800 1.00 0.00 C ATOM 970 CD ARG A 59 -16.544 -17.434 7.605 1.00 0.00 C ATOM 971 NE ARG A 59 -16.167 -16.752 6.365 1.00 0.00 N ATOM 972 CZ ARG A 59 -16.946 -15.907 5.697 1.00 0.00 C ATOM 973 NH1 ARG A 59 -18.212 -15.725 6.049 1.00 0.00 N ATOM 974 NH2 ARG A 59 -16.448 -15.270 4.653 1.00 0.00 N ATOM 0 H ARG A 59 -13.989 -13.407 8.630 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.389 -14.188 10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.477 -14.974 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.455 -16.028 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.434 -17.059 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.488 -15.959 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.855 -18.258 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.537 -17.868 7.493 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.239 -16.939 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.600 -16.237 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.798 -15.073 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.481 -15.430 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.031 -14.618 4.128 1.00 0.00 H new ATOM 988 N ASN A 60 -13.333 -14.960 11.013 1.00 0.00 N ATOM 989 CA ASN A 60 -12.528 -15.541 12.081 1.00 0.00 C ATOM 990 C ASN A 60 -11.629 -14.479 12.699 1.00 0.00 C ATOM 991 O ASN A 60 -11.012 -13.700 11.975 1.00 0.00 O ATOM 992 CB ASN A 60 -11.663 -16.687 11.540 1.00 0.00 C ATOM 993 CG ASN A 60 -12.481 -17.798 10.912 1.00 0.00 C ATOM 994 OD1 ASN A 60 -12.817 -17.741 9.729 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.787 -18.825 11.688 1.00 0.00 N ATOM 0 H ASN A 60 -12.791 -14.517 10.272 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.203 -15.932 12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.967 -16.292 10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.064 -17.098 12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.320 -19.608 11.311 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.489 -18.834 12.664 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.542 -14.434 14.040 1.00 0.00 N ATOM 1003 CA PRO A 61 -10.704 -13.460 14.758 1.00 0.00 C ATOM 1004 C PRO A 61 -9.249 -13.470 14.289 1.00 0.00 C ATOM 1005 O PRO A 61 -8.669 -12.418 14.022 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.798 -13.914 16.217 1.00 0.00 C ATOM 1007 CG PRO A 61 -12.091 -14.647 16.300 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.265 -15.321 14.969 1.00 0.00 C ATOM 0 HA PRO A 61 -11.044 -12.438 14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.960 -14.557 16.487 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.780 -13.064 16.899 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.075 -15.377 17.109 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.916 -13.964 16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.847 -16.328 14.971 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.317 -15.413 14.700 1.00 0.00 H new ATOM 1016 N GLU A 62 -8.668 -14.662 14.185 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.283 -14.817 13.736 1.00 0.00 C ATOM 1018 C GLU A 62 -7.097 -14.253 12.329 1.00 0.00 C ATOM 1019 O GLU A 62 -6.112 -13.569 12.048 1.00 0.00 O ATOM 1020 CB GLU A 62 -6.903 -16.299 13.768 1.00 0.00 C ATOM 1021 CG GLU A 62 -5.459 -16.593 13.399 1.00 0.00 C ATOM 1022 CD GLU A 62 -5.164 -18.078 13.430 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -4.991 -18.630 14.536 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -5.128 -18.706 12.349 1.00 0.00 O ATOM 0 H GLU A 62 -9.136 -15.541 14.406 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.631 -14.259 14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.094 -16.687 14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.556 -16.842 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.251 -16.201 12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.794 -16.075 14.090 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.054 -14.533 11.454 1.00 0.00 N ATOM 1032 CA LYS A 63 -7.995 -14.045 10.083 1.00 0.00 C ATOM 1033 C LYS A 63 -8.263 -12.546 10.047 1.00 0.00 C ATOM 1034 O LYS A 63 -7.678 -11.819 9.247 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.003 -14.784 9.199 1.00 0.00 C ATOM 1036 CG LYS A 63 -8.845 -16.295 9.235 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.708 -16.974 8.184 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.186 -16.712 6.779 1.00 0.00 C ATOM 1039 NZ LYS A 63 -10.014 -17.379 5.741 1.00 0.00 N ATOM 0 H LYS A 63 -8.878 -15.094 11.669 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.995 -14.235 9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.013 -14.524 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.894 -14.439 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.799 -16.556 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.115 -16.666 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.732 -18.048 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.733 -16.613 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.169 -15.638 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.157 -17.065 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.622 -17.174 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.010 -18.407 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.990 -17.024 5.795 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.145 -12.091 10.931 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.451 -10.673 11.041 1.00 0.00 C ATOM 1055 C ARG A 64 -8.207 -9.906 11.447 1.00 0.00 C ATOM 1056 O ARG A 64 -7.935 -8.841 10.921 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.547 -10.415 12.074 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.101 -8.999 12.012 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.569 -8.514 13.373 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.696 -7.459 13.887 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.104 -7.489 15.079 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.338 -8.496 15.915 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.286 -6.508 15.442 1.00 0.00 N ATOM 0 H ARG A 64 -9.659 -12.685 11.581 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.803 -10.336 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.360 -11.124 11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.149 -10.600 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.334 -8.325 11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.933 -8.965 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.590 -8.140 13.297 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.586 -9.349 14.073 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.530 -6.647 13.293 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.972 -9.247 15.643 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.883 -8.517 16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.110 -5.729 14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.834 -6.533 16.356 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.452 -10.472 12.381 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.245 -9.838 12.893 1.00 0.00 C ATOM 1079 C GLN A 65 -5.228 -9.588 11.778 1.00 0.00 C ATOM 1080 O GLN A 65 -4.504 -8.594 11.803 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.634 -10.708 13.992 1.00 0.00 C ATOM 1082 CG GLN A 65 -5.511 -10.000 15.334 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.760 -8.682 15.245 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.535 -8.640 15.363 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -5.493 -7.599 15.035 1.00 0.00 N ATOM 0 H GLN A 65 -7.658 -11.378 12.802 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.517 -8.868 13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.245 -11.602 14.117 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.646 -11.039 13.674 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.508 -9.817 15.734 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.000 -10.656 16.039 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.506 -7.679 14.943 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.045 -6.685 14.965 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.187 -10.490 10.800 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.316 -10.326 9.641 1.00 0.00 C ATOM 1096 C VAL A 66 -4.736 -9.100 8.835 1.00 0.00 C ATOM 1097 O VAL A 66 -3.925 -8.216 8.553 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.342 -11.573 8.729 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.420 -11.387 7.534 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -3.960 -12.819 9.514 1.00 0.00 C ATOM 0 H VAL A 66 -5.748 -11.342 10.788 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.300 -10.193 10.011 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.358 -11.701 8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.454 -12.277 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.744 -10.522 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.400 -11.228 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.984 -13.686 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.955 -12.700 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.666 -12.965 10.331 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.018 -9.051 8.497 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.574 -7.944 7.727 1.00 0.00 C ATOM 1112 C ILE A 67 -6.517 -6.645 8.531 1.00 0.00 C ATOM 1113 O ILE A 67 -6.219 -5.578 7.996 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.040 -8.237 7.330 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.135 -9.583 6.602 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.589 -7.119 6.454 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.553 -9.993 6.261 1.00 0.00 C ATOM 0 H ILE A 67 -6.697 -9.770 8.746 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.974 -7.832 6.824 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.641 -8.289 8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.551 -9.531 5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.683 -10.355 7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.621 -7.342 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.552 -6.177 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.987 -7.037 5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.540 -10.955 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.137 -10.078 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.003 -9.241 5.612 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.788 -6.761 9.824 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.823 -5.621 10.736 1.00 0.00 C ATOM 1131 C ASP A 68 -5.471 -4.915 10.779 1.00 0.00 C ATOM 1132 O ASP A 68 -5.389 -3.697 10.627 1.00 0.00 O ATOM 1133 CB ASP A 68 -7.210 -6.105 12.140 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.542 -4.981 13.102 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -6.610 -4.328 13.610 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -8.749 -4.774 13.384 1.00 0.00 O ATOM 0 H ASP A 68 -6.991 -7.653 10.274 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.564 -4.907 10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.070 -6.770 12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.389 -6.693 12.551 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.406 -5.691 10.958 1.00 0.00 N ATOM 1142 CA LYS A 69 -3.062 -5.131 11.017 1.00 0.00 C ATOM 1143 C LYS A 69 -2.672 -4.469 9.702 1.00 0.00 C ATOM 1144 O LYS A 69 -2.065 -3.398 9.700 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.033 -6.197 11.388 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.941 -6.453 12.880 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.766 -7.356 13.213 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.426 -7.298 14.693 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.080 -5.917 15.127 1.00 0.00 N ATOM 0 H LYS A 69 -4.448 -6.705 11.064 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.071 -4.368 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.287 -7.128 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.054 -5.891 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.835 -5.505 13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.866 -6.912 13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.003 -8.382 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.103 -7.057 12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.273 -7.660 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.411 -7.965 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.544 -5.960 15.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.407 -5.422 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.950 -5.403 15.374 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.022 -5.101 8.589 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.726 -4.551 7.273 1.00 0.00 C ATOM 1165 C ILE A 70 -3.509 -3.261 7.037 1.00 0.00 C ATOM 1166 O ILE A 70 -2.986 -2.296 6.476 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.026 -5.578 6.157 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.028 -6.740 6.243 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.985 -4.923 4.780 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.169 -7.758 5.132 1.00 0.00 C ATOM 0 H ILE A 70 -3.512 -5.996 8.572 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.661 -4.320 7.241 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.034 -5.967 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.015 -6.337 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.155 -7.244 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.200 -5.670 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.731 -4.130 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.995 -4.501 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.428 -8.546 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.169 -8.191 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.012 -7.271 4.170 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.751 -3.245 7.502 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.621 -2.084 7.363 1.00 0.00 C ATOM 1184 C LEU A 71 -5.004 -0.878 8.069 1.00 0.00 C ATOM 1185 O LEU A 71 -4.833 0.187 7.476 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.984 -2.419 7.987 1.00 0.00 C ATOM 1187 CG LEU A 71 -8.167 -1.513 7.618 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -9.442 -2.069 8.223 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.957 -0.082 8.087 1.00 0.00 C ATOM 0 H LEU A 71 -5.183 -4.033 7.984 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.745 -1.838 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.241 -3.441 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.872 -2.403 9.071 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.245 -1.495 6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.281 -1.424 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.620 -3.073 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.342 -2.110 9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.818 0.524 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.843 -0.067 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.059 0.325 7.622 1.00 0.00 H new ATOM 1201 N GLU A 72 -4.640 -1.072 9.330 1.00 0.00 N ATOM 1202 CA GLU A 72 -4.071 -0.005 10.139 1.00 0.00 C ATOM 1203 C GLU A 72 -2.679 0.365 9.627 1.00 0.00 C ATOM 1204 O GLU A 72 -2.260 1.525 9.702 1.00 0.00 O ATOM 1205 CB GLU A 72 -4.028 -0.410 11.618 1.00 0.00 C ATOM 1206 CG GLU A 72 -5.374 -0.871 12.175 1.00 0.00 C ATOM 1207 CD GLU A 72 -6.462 0.189 12.085 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -6.977 0.426 10.977 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -6.815 0.780 13.127 1.00 0.00 O ATOM 0 H GLU A 72 -4.730 -1.964 9.816 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.709 0.875 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.300 -1.212 11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.674 0.437 12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.698 -1.760 11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.247 -1.162 13.218 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.965 -0.636 9.113 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.626 -0.435 8.556 1.00 0.00 C ATOM 1218 C ASP A 73 -0.677 0.532 7.391 1.00 0.00 C ATOM 1219 O ASP A 73 0.190 1.389 7.240 1.00 0.00 O ATOM 1220 CB ASP A 73 -0.045 -1.746 8.034 1.00 0.00 C ATOM 1221 CG ASP A 73 1.439 -1.868 8.283 1.00 0.00 C ATOM 1222 OD1 ASP A 73 1.847 -1.942 9.457 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.206 -1.882 7.296 1.00 0.00 O ATOM 0 H ASP A 73 -2.294 -1.601 9.070 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.002 -0.042 9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.559 -2.581 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.237 -1.823 6.964 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.706 0.373 6.577 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.864 1.140 5.356 1.00 0.00 C ATOM 1230 C GLU A 74 -1.950 2.641 5.666 1.00 0.00 C ATOM 1231 O GLU A 74 -1.398 3.462 4.933 1.00 0.00 O ATOM 1232 CB GLU A 74 -3.107 0.633 4.620 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.926 0.457 3.117 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.637 -0.260 2.738 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.592 -1.521 2.717 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.655 0.432 2.437 1.00 0.00 O ATOM 0 H GLU A 74 -2.458 -0.295 6.746 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.995 1.005 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.404 -0.323 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.926 1.330 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.773 -0.103 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.940 1.437 2.641 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.604 2.993 6.776 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.648 4.379 7.241 1.00 0.00 C ATOM 1245 C GLU A 75 -1.265 4.853 7.673 1.00 0.00 C ATOM 1246 O GLU A 75 -0.881 5.992 7.410 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.625 4.525 8.414 1.00 0.00 C ATOM 1248 CG GLU A 75 -5.099 4.427 8.039 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.510 5.459 7.005 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.790 6.463 6.849 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.503 5.226 6.295 1.00 0.00 O ATOM 0 H GLU A 75 -3.110 2.335 7.369 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.990 4.995 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.401 3.755 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.451 5.488 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.306 3.429 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.707 4.554 8.935 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.519 3.975 8.330 1.00 0.00 N ATOM 1259 CA LYS A 76 0.821 4.309 8.800 1.00 0.00 C ATOM 1260 C LYS A 76 1.745 4.631 7.628 1.00 0.00 C ATOM 1261 O LYS A 76 2.653 5.455 7.753 1.00 0.00 O ATOM 1262 CB LYS A 76 1.395 3.182 9.666 1.00 0.00 C ATOM 1263 CG LYS A 76 0.680 3.037 11.003 1.00 0.00 C ATOM 1264 CD LYS A 76 1.345 2.010 11.910 1.00 0.00 C ATOM 1265 CE LYS A 76 1.289 0.612 11.316 1.00 0.00 C ATOM 1266 NZ LYS A 76 2.622 0.149 10.852 1.00 0.00 N ATOM 0 H LYS A 76 -0.818 3.025 8.550 1.00 0.00 H new ATOM 0 HA LYS A 76 0.749 5.201 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.327 2.241 9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.453 3.371 9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.659 4.003 11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.356 2.746 10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.384 2.292 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.853 2.012 12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.903 -0.083 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.590 0.602 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.502 -0.542 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.170 0.962 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.129 -0.297 11.643 1.00 0.00 H new ATOM 1280 N HIS A 77 1.514 3.974 6.495 1.00 0.00 N ATOM 1281 CA HIS A 77 2.250 4.283 5.270 1.00 0.00 C ATOM 1282 C HIS A 77 1.932 5.703 4.820 1.00 0.00 C ATOM 1283 O HIS A 77 2.823 6.494 4.499 1.00 0.00 O ATOM 1284 CB HIS A 77 1.866 3.338 4.135 1.00 0.00 C ATOM 1285 CG HIS A 77 2.080 1.891 4.413 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.582 0.893 3.611 1.00 0.00 N ATOM 1287 CD2 HIS A 77 2.735 1.273 5.428 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.928 -0.276 4.151 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.633 -0.110 5.258 1.00 0.00 N ATOM 0 H HIS A 77 0.826 3.227 6.398 1.00 0.00 H new ATOM 0 HA HIS A 77 3.311 4.171 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.814 3.493 3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.439 3.610 3.248 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.043 1.023 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.251 1.770 6.236 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.666 -1.238 3.736 1.00 0.00 H new ATOM 1296 N ILE A 78 0.636 6.002 4.807 1.00 0.00 N ATOM 1297 CA ILE A 78 0.127 7.291 4.367 1.00 0.00 C ATOM 1298 C ILE A 78 0.727 8.428 5.184 1.00 0.00 C ATOM 1299 O ILE A 78 1.013 9.498 4.645 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.411 7.342 4.464 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.020 6.200 3.647 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.933 8.687 3.982 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.515 6.054 3.817 1.00 0.00 C ATOM 0 H ILE A 78 -0.092 5.352 5.103 1.00 0.00 H new ATOM 0 HA ILE A 78 0.420 7.415 3.324 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.704 7.222 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.798 6.363 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.539 5.265 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.020 8.704 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.514 9.482 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.640 8.840 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.871 5.224 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.745 5.859 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.008 6.974 3.503 1.00 0.00 H new ATOM 1315 N GLU A 79 0.925 8.191 6.476 1.00 0.00 N ATOM 1316 CA GLU A 79 1.527 9.202 7.346 1.00 0.00 C ATOM 1317 C GLU A 79 2.868 9.679 6.779 1.00 0.00 C ATOM 1318 O GLU A 79 3.175 10.871 6.830 1.00 0.00 O ATOM 1319 CB GLU A 79 1.738 8.657 8.759 1.00 0.00 C ATOM 1320 CG GLU A 79 0.466 8.189 9.441 1.00 0.00 C ATOM 1321 CD GLU A 79 0.701 7.832 10.892 1.00 0.00 C ATOM 1322 OE1 GLU A 79 1.528 6.934 11.164 1.00 0.00 O ATOM 1323 OE2 GLU A 79 0.064 8.449 11.775 1.00 0.00 O ATOM 0 H GLU A 79 0.681 7.318 6.943 1.00 0.00 H new ATOM 0 HA GLU A 79 0.838 10.045 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.440 7.825 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.201 9.432 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.289 8.973 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.070 7.321 8.914 1.00 0.00 H new ATOM 1330 N TRP A 80 3.645 8.761 6.214 1.00 0.00 N ATOM 1331 CA TRP A 80 4.922 9.119 5.604 1.00 0.00 C ATOM 1332 C TRP A 80 4.703 9.892 4.310 1.00 0.00 C ATOM 1333 O TRP A 80 5.227 10.992 4.137 1.00 0.00 O ATOM 1334 CB TRP A 80 5.774 7.873 5.329 1.00 0.00 C ATOM 1335 CG TRP A 80 6.947 8.135 4.431 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.253 7.454 3.291 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.956 9.145 4.581 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.388 7.974 2.721 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.838 9.013 3.491 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.201 10.148 5.528 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.945 9.842 3.324 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.299 10.970 5.358 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.159 10.813 4.262 1.00 0.00 C ATOM 0 H TRP A 80 3.415 7.768 6.165 1.00 0.00 H new ATOM 0 HA TRP A 80 5.457 9.754 6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.135 7.473 6.277 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.145 7.105 4.878 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.685 6.626 2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.826 7.640 1.862 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.544 10.277 6.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.611 9.722 2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.498 11.747 6.082 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.008 11.473 4.157 1.00 0.00 H new ATOM 1354 N HIS A 81 3.922 9.316 3.408 1.00 0.00 N ATOM 1355 CA HIS A 81 3.693 9.916 2.100 1.00 0.00 C ATOM 1356 C HIS A 81 3.060 11.299 2.216 1.00 0.00 C ATOM 1357 O HIS A 81 3.370 12.206 1.436 1.00 0.00 O ATOM 1358 CB HIS A 81 2.834 8.993 1.237 1.00 0.00 C ATOM 1359 CG HIS A 81 3.617 7.848 0.664 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.419 7.963 -0.448 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.750 6.565 1.088 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.006 6.783 -0.660 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.636 5.900 0.246 1.00 0.00 N ATOM 0 H HIS A 81 3.435 8.432 3.557 1.00 0.00 H new ATOM 0 HA HIS A 81 4.662 10.045 1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.011 8.603 1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.391 9.569 0.424 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.543 8.804 -1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.249 6.131 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.694 6.579 -1.467 1.00 0.00 H new ATOM 1371 N LYS A 82 2.197 11.472 3.204 1.00 0.00 N ATOM 1372 CA LYS A 82 1.572 12.761 3.444 1.00 0.00 C ATOM 1373 C LYS A 82 2.582 13.742 4.040 1.00 0.00 C ATOM 1374 O LYS A 82 2.562 14.933 3.733 1.00 0.00 O ATOM 1375 CB LYS A 82 0.363 12.614 4.373 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.542 13.833 4.367 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.701 13.687 5.336 1.00 0.00 C ATOM 1378 CE LYS A 82 -2.675 14.847 5.198 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.041 16.155 5.510 1.00 0.00 N ATOM 0 H LYS A 82 1.914 10.737 3.852 1.00 0.00 H new ATOM 0 HA LYS A 82 1.225 13.154 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.214 11.739 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.713 12.433 5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.039 14.717 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.929 13.992 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.220 12.747 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.323 13.644 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.068 14.869 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.523 14.688 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.770 16.897 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.570 16.100 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.339 16.384 4.777 1.00 0.00 H new ATOM 1393 N ALA A 83 3.474 13.231 4.888 1.00 0.00 N ATOM 1394 CA ALA A 83 4.499 14.061 5.519 1.00 0.00 C ATOM 1395 C ALA A 83 5.510 14.552 4.490 1.00 0.00 C ATOM 1396 O ALA A 83 6.040 15.658 4.601 1.00 0.00 O ATOM 1397 CB ALA A 83 5.203 13.293 6.629 1.00 0.00 C ATOM 0 H ALA A 83 3.507 12.247 5.154 1.00 0.00 H new ATOM 0 HA ALA A 83 4.007 14.930 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.962 13.928 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.475 12.996 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.676 12.404 6.213 1.00 0.00 H new ATOM 1403 N ALA A 84 5.757 13.727 3.480 1.00 0.00 N ATOM 1404 CA ALA A 84 6.664 14.084 2.394 1.00 0.00 C ATOM 1405 C ALA A 84 6.112 15.249 1.576 1.00 0.00 C ATOM 1406 O ALA A 84 6.849 15.922 0.860 1.00 0.00 O ATOM 1407 CB ALA A 84 6.913 12.881 1.498 1.00 0.00 C ATOM 0 H ALA A 84 5.340 12.801 3.390 1.00 0.00 H new ATOM 0 HA ALA A 84 7.610 14.399 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.591 13.162 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.359 12.077 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.968 12.541 1.075 1.00 0.00 H new ATOM 1484 N ALA A 90 14.247 13.967 -2.160 1.00 0.00 N ATOM 1485 CA ALA A 90 14.013 12.762 -2.944 1.00 0.00 C ATOM 1486 C ALA A 90 14.791 11.562 -2.408 1.00 0.00 C ATOM 1487 O ALA A 90 14.299 10.435 -2.449 1.00 0.00 O ATOM 1488 CB ALA A 90 14.371 13.011 -4.401 1.00 0.00 C ATOM 0 HA ALA A 90 12.953 12.522 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.193 12.105 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.755 13.819 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.423 13.288 -4.475 1.00 0.00 H new ATOM 1494 N GLU A 91 15.994 11.805 -1.891 1.00 0.00 N ATOM 1495 CA GLU A 91 16.854 10.714 -1.434 1.00 0.00 C ATOM 1496 C GLU A 91 16.231 9.964 -0.262 1.00 0.00 C ATOM 1497 O GLU A 91 16.122 8.737 -0.289 1.00 0.00 O ATOM 1498 CB GLU A 91 18.225 11.247 -1.016 1.00 0.00 C ATOM 1499 CG GLU A 91 18.991 11.923 -2.136 1.00 0.00 C ATOM 1500 CD GLU A 91 20.400 12.286 -1.722 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.573 13.266 -0.966 1.00 0.00 O ATOM 1502 OE2 GLU A 91 21.342 11.591 -2.149 1.00 0.00 O ATOM 0 H GLU A 91 16.393 12.737 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 91 16.969 10.024 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.094 11.957 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.822 10.421 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.027 11.261 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.461 12.824 -2.445 1.00 0.00 H new ATOM 1509 N GLN A 92 15.793 10.701 0.751 1.00 0.00 N ATOM 1510 CA GLN A 92 15.192 10.087 1.928 1.00 0.00 C ATOM 1511 C GLN A 92 13.845 9.469 1.569 1.00 0.00 C ATOM 1512 O GLN A 92 13.466 8.421 2.090 1.00 0.00 O ATOM 1513 CB GLN A 92 15.039 11.110 3.064 1.00 0.00 C ATOM 1514 CG GLN A 92 14.133 12.283 2.727 1.00 0.00 C ATOM 1515 CD GLN A 92 13.975 13.261 3.875 1.00 0.00 C ATOM 1516 OE1 GLN A 92 12.926 13.884 4.028 1.00 0.00 O ATOM 1517 NE2 GLN A 92 15.019 13.423 4.675 1.00 0.00 N ATOM 0 H GLN A 92 15.842 11.719 0.782 1.00 0.00 H new ATOM 0 HA GLN A 92 15.854 9.296 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.645 10.602 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.025 11.491 3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.537 12.809 1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.151 11.906 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.872 12.887 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.969 14.083 5.451 1.00 0.00 H new ATOM 1526 N PHE A 93 13.137 10.124 0.656 1.00 0.00 N ATOM 1527 CA PHE A 93 11.851 9.641 0.184 1.00 0.00 C ATOM 1528 C PHE A 93 12.009 8.281 -0.485 1.00 0.00 C ATOM 1529 O PHE A 93 11.335 7.323 -0.116 1.00 0.00 O ATOM 1530 CB PHE A 93 11.252 10.662 -0.789 1.00 0.00 C ATOM 1531 CG PHE A 93 9.940 10.255 -1.398 1.00 0.00 C ATOM 1532 CD1 PHE A 93 8.775 10.264 -0.647 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.871 9.882 -2.732 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.567 9.907 -1.215 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.667 9.524 -3.303 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.514 9.537 -2.545 1.00 0.00 C ATOM 0 H PHE A 93 13.438 10.999 0.226 1.00 0.00 H new ATOM 0 HA PHE A 93 11.175 9.521 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.115 11.607 -0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.968 10.843 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.812 10.553 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.770 9.872 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.666 9.917 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.627 9.234 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.571 9.258 -2.991 1.00 0.00 H new ATOM 1546 N ALA A 94 12.932 8.199 -1.439 1.00 0.00 N ATOM 1547 CA ALA A 94 13.150 6.974 -2.204 1.00 0.00 C ATOM 1548 C ALA A 94 13.517 5.799 -1.299 1.00 0.00 C ATOM 1549 O ALA A 94 12.954 4.713 -1.426 1.00 0.00 O ATOM 1550 CB ALA A 94 14.232 7.188 -3.250 1.00 0.00 C ATOM 0 H ALA A 94 13.545 8.971 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 94 12.213 6.728 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.383 6.266 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.927 7.982 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.163 7.469 -2.758 1.00 0.00 H new ATOM 1556 N SER A 95 14.452 6.027 -0.385 1.00 0.00 N ATOM 1557 CA SER A 95 14.913 4.982 0.523 1.00 0.00 C ATOM 1558 C SER A 95 13.765 4.450 1.386 1.00 0.00 C ATOM 1559 O SER A 95 13.645 3.243 1.600 1.00 0.00 O ATOM 1560 CB SER A 95 16.042 5.524 1.402 1.00 0.00 C ATOM 1561 OG SER A 95 17.099 6.037 0.608 1.00 0.00 O ATOM 0 H SER A 95 14.908 6.930 -0.252 1.00 0.00 H new ATOM 0 HA SER A 95 15.290 4.149 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.657 6.309 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.419 4.731 2.048 1.00 0.00 H new ATOM 0 HG SER A 95 16.855 6.925 0.272 1.00 0.00 H new ATOM 1567 N LEU A 96 12.922 5.352 1.878 1.00 0.00 N ATOM 1568 CA LEU A 96 11.785 4.957 2.702 1.00 0.00 C ATOM 1569 C LEU A 96 10.684 4.300 1.871 1.00 0.00 C ATOM 1570 O LEU A 96 9.994 3.400 2.349 1.00 0.00 O ATOM 1571 CB LEU A 96 11.240 6.148 3.496 1.00 0.00 C ATOM 1572 CG LEU A 96 11.884 6.357 4.874 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.335 6.790 4.741 1.00 0.00 C ATOM 1574 CD2 LEU A 96 11.097 7.370 5.688 1.00 0.00 C ATOM 0 H LEU A 96 13.004 6.357 1.722 1.00 0.00 H new ATOM 0 HA LEU A 96 12.143 4.212 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.379 7.054 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.166 6.016 3.629 1.00 0.00 H new ATOM 0 HG LEU A 96 11.864 5.402 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.765 6.930 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.896 6.023 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.386 7.728 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.571 7.503 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.077 8.324 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.077 7.011 5.827 1.00 0.00 H new ATOM 1586 N VAL A 97 10.523 4.736 0.625 1.00 0.00 N ATOM 1587 CA VAL A 97 9.561 4.107 -0.278 1.00 0.00 C ATOM 1588 C VAL A 97 9.975 2.666 -0.566 1.00 0.00 C ATOM 1589 O VAL A 97 9.137 1.773 -0.655 1.00 0.00 O ATOM 1590 CB VAL A 97 9.413 4.891 -1.604 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.585 4.116 -2.621 1.00 0.00 C ATOM 1592 CG2 VAL A 97 8.785 6.251 -1.344 1.00 0.00 C ATOM 0 H VAL A 97 11.041 5.515 0.219 1.00 0.00 H new ATOM 0 HA VAL A 97 8.591 4.115 0.220 1.00 0.00 H new ATOM 0 HB VAL A 97 10.410 5.031 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.501 4.696 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.070 3.164 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.590 3.933 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.687 6.792 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.800 6.117 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.418 6.820 -0.663 1.00 0.00 H new ATOM 1602 N GLN A 98 11.276 2.444 -0.679 1.00 0.00 N ATOM 1603 CA GLN A 98 11.816 1.105 -0.874 1.00 0.00 C ATOM 1604 C GLN A 98 11.431 0.202 0.306 1.00 0.00 C ATOM 1605 O GLN A 98 11.188 -0.995 0.135 1.00 0.00 O ATOM 1606 CB GLN A 98 13.340 1.195 -1.063 1.00 0.00 C ATOM 1607 CG GLN A 98 14.026 -0.126 -1.379 1.00 0.00 C ATOM 1608 CD GLN A 98 14.394 -0.907 -0.134 1.00 0.00 C ATOM 1609 OE1 GLN A 98 14.663 -0.327 0.917 1.00 0.00 O ATOM 1610 NE2 GLN A 98 14.413 -2.225 -0.242 1.00 0.00 N ATOM 0 H GLN A 98 11.982 3.179 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 98 11.391 0.657 -1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.551 1.899 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.780 1.608 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.368 -0.732 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.927 0.067 -1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.183 -2.667 -1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.657 -2.799 0.565 1.00 0.00 H new ATOM 1619 N GLN A 99 11.347 0.787 1.502 1.00 0.00 N ATOM 1620 CA GLN A 99 10.875 0.063 2.681 1.00 0.00 C ATOM 1621 C GLN A 99 9.385 -0.251 2.554 1.00 0.00 C ATOM 1622 O GLN A 99 8.936 -1.341 2.909 1.00 0.00 O ATOM 1623 CB GLN A 99 11.124 0.881 3.949 1.00 0.00 C ATOM 1624 CG GLN A 99 12.593 1.132 4.247 1.00 0.00 C ATOM 1625 CD GLN A 99 13.359 -0.147 4.528 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.429 -0.605 5.669 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.957 -0.726 3.502 1.00 0.00 N ATOM 0 H GLN A 99 11.600 1.759 1.679 1.00 0.00 H new ATOM 0 HA GLN A 99 11.430 -0.872 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.614 1.840 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.676 0.363 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.049 1.645 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.677 1.797 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.878 -0.319 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.497 -1.580 3.642 1.00 0.00 H new ATOM 1636 N HIS A 100 8.630 0.719 2.036 1.00 0.00 N ATOM 1637 CA HIS A 100 7.197 0.554 1.781 1.00 0.00 C ATOM 1638 C HIS A 100 6.977 -0.630 0.837 1.00 0.00 C ATOM 1639 O HIS A 100 6.030 -1.400 0.993 1.00 0.00 O ATOM 1640 CB HIS A 100 6.640 1.853 1.170 1.00 0.00 C ATOM 1641 CG HIS A 100 5.138 1.990 1.137 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.502 3.183 0.884 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.145 1.076 1.312 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.186 2.976 0.908 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.902 1.709 1.164 1.00 0.00 N ATOM 0 H HIS A 100 8.992 1.638 1.782 1.00 0.00 H new ATOM 0 HA HIS A 100 6.672 0.351 2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.047 2.695 1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.013 1.938 0.149 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.961 4.077 0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.291 0.028 1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.446 3.744 0.740 1.00 0.00 H new ATOM 1653 N LEU A 101 7.881 -0.775 -0.131 1.00 0.00 N ATOM 1654 CA LEU A 101 7.841 -1.897 -1.063 1.00 0.00 C ATOM 1655 C LEU A 101 7.957 -3.231 -0.331 1.00 0.00 C ATOM 1656 O LEU A 101 7.167 -4.140 -0.569 1.00 0.00 O ATOM 1657 CB LEU A 101 8.964 -1.779 -2.100 1.00 0.00 C ATOM 1658 CG LEU A 101 8.576 -1.126 -3.432 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.427 -1.876 -4.086 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.212 0.334 -3.237 1.00 0.00 C ATOM 0 H LEU A 101 8.652 -0.126 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 101 6.878 -1.864 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.780 -1.206 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.350 -2.778 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 101 9.442 -1.176 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.169 -1.395 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.726 -2.907 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.561 -1.864 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.941 0.773 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.368 0.410 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.066 0.869 -2.821 1.00 0.00 H new ATOM 1672 N GLN A 102 8.939 -3.342 0.562 1.00 0.00 N ATOM 1673 CA GLN A 102 9.148 -4.569 1.320 1.00 0.00 C ATOM 1674 C GLN A 102 7.965 -4.845 2.241 1.00 0.00 C ATOM 1675 O GLN A 102 7.581 -5.996 2.457 1.00 0.00 O ATOM 1676 CB GLN A 102 10.436 -4.479 2.143 1.00 0.00 C ATOM 1677 CG GLN A 102 11.708 -4.460 1.309 1.00 0.00 C ATOM 1678 CD GLN A 102 12.966 -4.490 2.160 1.00 0.00 C ATOM 1679 OE1 GLN A 102 13.487 -3.450 2.559 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.470 -5.682 2.441 1.00 0.00 N ATOM 0 H GLN A 102 9.601 -2.596 0.777 1.00 0.00 H new ATOM 0 HA GLN A 102 9.237 -5.391 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.402 -3.577 2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.476 -5.326 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.709 -5.317 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.716 -3.565 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.012 -6.524 2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.317 -5.758 3.005 1.00 0.00 H new ATOM 1689 N ASP A 103 7.388 -3.778 2.773 1.00 0.00 N ATOM 1690 CA ASP A 103 6.256 -3.887 3.681 1.00 0.00 C ATOM 1691 C ASP A 103 5.022 -4.435 2.973 1.00 0.00 C ATOM 1692 O ASP A 103 4.399 -5.386 3.449 1.00 0.00 O ATOM 1693 CB ASP A 103 5.940 -2.520 4.293 1.00 0.00 C ATOM 1694 CG ASP A 103 4.629 -2.504 5.054 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.555 -2.541 4.453 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.607 -2.413 6.281 1.00 0.00 O ATOM 0 H ASP A 103 7.688 -2.820 2.590 1.00 0.00 H new ATOM 0 HA ASP A 103 6.529 -4.586 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.748 -2.233 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.904 -1.772 3.501 1.00 0.00 H new ATOM 1701 N GLU A 104 4.673 -3.850 1.831 1.00 0.00 N ATOM 1702 CA GLU A 104 3.481 -4.273 1.105 1.00 0.00 C ATOM 1703 C GLU A 104 3.688 -5.665 0.512 1.00 0.00 C ATOM 1704 O GLU A 104 2.725 -6.356 0.192 1.00 0.00 O ATOM 1705 CB GLU A 104 3.116 -3.272 0.006 1.00 0.00 C ATOM 1706 CG GLU A 104 2.906 -1.849 0.508 1.00 0.00 C ATOM 1707 CD GLU A 104 1.494 -1.534 0.999 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.751 -2.452 1.454 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.123 -0.337 0.964 1.00 0.00 O ATOM 0 H GLU A 104 5.193 -3.090 1.392 1.00 0.00 H new ATOM 0 HA GLU A 104 2.652 -4.311 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.906 -3.268 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.206 -3.609 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.607 -1.661 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.157 -1.157 -0.296 1.00 0.00 H new ATOM 1716 N GLN A 105 4.951 -6.077 0.385 1.00 0.00 N ATOM 1717 CA GLN A 105 5.260 -7.447 -0.010 1.00 0.00 C ATOM 1718 C GLN A 105 4.686 -8.410 1.012 1.00 0.00 C ATOM 1719 O GLN A 105 4.020 -9.377 0.657 1.00 0.00 O ATOM 1720 CB GLN A 105 6.773 -7.667 -0.119 1.00 0.00 C ATOM 1721 CG GLN A 105 7.403 -7.031 -1.342 1.00 0.00 C ATOM 1722 CD GLN A 105 8.913 -7.194 -1.367 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.455 -8.170 -0.846 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.604 -6.234 -1.969 1.00 0.00 N ATOM 0 H GLN A 105 5.767 -5.487 0.549 1.00 0.00 H new ATOM 0 HA GLN A 105 4.815 -7.627 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.253 -7.266 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.974 -8.738 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.977 -7.478 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.154 -5.970 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.117 -5.442 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.622 -6.288 -2.012 1.00 0.00 H new ATOM 1733 N ARG A 106 4.917 -8.116 2.287 1.00 0.00 N ATOM 1734 CA ARG A 106 4.381 -8.933 3.362 1.00 0.00 C ATOM 1735 C ARG A 106 2.868 -8.794 3.433 1.00 0.00 C ATOM 1736 O ARG A 106 2.171 -9.746 3.773 1.00 0.00 O ATOM 1737 CB ARG A 106 5.020 -8.574 4.706 1.00 0.00 C ATOM 1738 CG ARG A 106 6.030 -9.608 5.183 1.00 0.00 C ATOM 1739 CD ARG A 106 5.360 -10.955 5.421 1.00 0.00 C ATOM 1740 NE ARG A 106 6.316 -12.002 5.784 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.990 -13.119 6.436 1.00 0.00 C ATOM 1742 NH1 ARG A 106 4.733 -13.337 6.812 1.00 0.00 N ATOM 1743 NH2 ARG A 106 6.926 -14.019 6.714 1.00 0.00 N ATOM 0 H ARG A 106 5.472 -7.318 2.598 1.00 0.00 H new ATOM 0 HA ARG A 106 4.625 -9.973 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.513 -7.606 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.237 -8.467 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.822 -9.717 4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.501 -9.264 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.619 -10.853 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.824 -11.254 4.521 1.00 0.00 H new ATOM 0 HE ARG A 106 7.293 -11.869 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.011 -12.648 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.491 -14.193 7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.892 -13.855 6.429 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.679 -14.874 7.213 1.00 0.00 H new ATOM 1757 N HIS A 107 2.365 -7.612 3.083 1.00 0.00 N ATOM 1758 CA HIS A 107 0.924 -7.394 3.022 1.00 0.00 C ATOM 1759 C HIS A 107 0.291 -8.374 2.035 1.00 0.00 C ATOM 1760 O HIS A 107 -0.652 -9.084 2.367 1.00 0.00 O ATOM 1761 CB HIS A 107 0.596 -5.951 2.602 1.00 0.00 C ATOM 1762 CG HIS A 107 0.733 -4.942 3.708 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.026 -3.783 3.810 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.558 -4.945 4.785 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.358 -3.146 4.935 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.325 -3.805 5.555 1.00 0.00 N ATOM 0 H HIS A 107 2.929 -6.798 2.840 1.00 0.00 H new ATOM 0 HA HIS A 107 0.515 -7.561 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.253 -5.665 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.424 -5.919 2.220 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.742 -3.471 3.154 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.284 -5.712 5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.068 -2.218 5.285 1.00 0.00 H new ATOM 1773 N VAL A 108 0.850 -8.430 0.831 1.00 0.00 N ATOM 1774 CA VAL A 108 0.355 -9.320 -0.215 1.00 0.00 C ATOM 1775 C VAL A 108 0.603 -10.792 0.129 1.00 0.00 C ATOM 1776 O VAL A 108 -0.282 -11.636 -0.052 1.00 0.00 O ATOM 1777 CB VAL A 108 1.012 -8.985 -1.578 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.613 -9.990 -2.645 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.641 -7.576 -2.013 1.00 0.00 C ATOM 0 H VAL A 108 1.653 -7.865 0.553 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.721 -9.163 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 108 2.093 -9.042 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.090 -9.727 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.932 -10.988 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.470 -9.977 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.110 -7.356 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.442 -7.499 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.988 -6.861 -1.267 1.00 0.00 H new ATOM 1789 N GLU A 109 1.800 -11.093 0.631 1.00 0.00 N ATOM 1790 CA GLU A 109 2.182 -12.464 0.973 1.00 0.00 C ATOM 1791 C GLU A 109 1.242 -13.061 2.011 1.00 0.00 C ATOM 1792 O GLU A 109 0.948 -14.254 1.980 1.00 0.00 O ATOM 1793 CB GLU A 109 3.619 -12.512 1.499 1.00 0.00 C ATOM 1794 CG GLU A 109 4.671 -12.279 0.430 1.00 0.00 C ATOM 1795 CD GLU A 109 4.666 -13.353 -0.635 1.00 0.00 C ATOM 1796 OE1 GLU A 109 5.242 -14.435 -0.391 1.00 0.00 O ATOM 1797 OE2 GLU A 109 4.098 -13.123 -1.721 1.00 0.00 O ATOM 0 H GLU A 109 2.527 -10.401 0.811 1.00 0.00 H new ATOM 0 HA GLU A 109 2.113 -13.056 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.735 -11.761 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.794 -13.483 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.501 -11.309 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.655 -12.240 0.897 1.00 0.00 H new ATOM 1804 N GLU A 110 0.783 -12.230 2.933 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.120 -12.683 3.978 1.00 0.00 C ATOM 1806 C GLU A 110 -1.498 -13.011 3.401 1.00 0.00 C ATOM 1807 O GLU A 110 -2.195 -13.891 3.902 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.239 -11.620 5.075 1.00 0.00 C ATOM 1809 CG GLU A 110 0.123 -12.131 6.463 1.00 0.00 C ATOM 1810 CD GLU A 110 1.505 -12.751 6.518 1.00 0.00 C ATOM 1811 OE1 GLU A 110 2.501 -12.017 6.358 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.598 -13.981 6.720 1.00 0.00 O ATOM 0 H GLU A 110 1.021 -11.239 2.979 1.00 0.00 H new ATOM 0 HA GLU A 110 0.291 -13.593 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.409 -10.780 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.261 -11.241 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.071 -11.306 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.614 -12.870 6.777 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.874 -12.319 2.328 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.205 -12.478 1.751 1.00 0.00 C ATOM 1821 C ILE A 111 -3.253 -13.608 0.722 1.00 0.00 C ATOM 1822 O ILE A 111 -3.796 -14.679 0.992 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.704 -11.192 1.060 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.443 -9.967 1.931 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.190 -11.317 0.751 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.829 -8.660 1.271 1.00 0.00 C ATOM 0 H ILE A 111 -1.279 -11.647 1.843 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.853 -12.715 2.595 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.154 -11.063 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.997 -10.071 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.385 -9.935 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.538 -10.407 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.354 -12.168 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.743 -11.466 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.615 -7.833 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.256 -8.533 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.893 -8.671 1.037 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.663 -13.364 -0.450 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.858 -14.231 -1.610 1.00 0.00 C ATOM 1840 C GLU A 112 -2.309 -15.641 -1.392 1.00 0.00 C ATOM 1841 O GLU A 112 -3.045 -16.528 -0.952 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.242 -13.596 -2.860 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.940 -12.310 -3.281 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.430 -11.753 -4.596 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -2.747 -12.332 -5.653 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -1.716 -10.732 -4.581 1.00 0.00 O ATOM 0 H GLU A 112 -2.045 -12.570 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.933 -14.334 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.189 -13.386 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.283 -14.311 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.011 -12.497 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.807 -11.560 -2.501 1.00 0.00 H new