USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 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 51 HIS : no HE2:sc= 0.488 K(o=1.4,f=-2.6) USER MOD Set 1.2: A 80 THR OG1 : rot 159:sc= 0.94 USER MOD Set 2.1: A 74 GLN : amide:sc= -0.322 X(o=-2.4,f=-2.1) USER MOD Set 2.2: A 82 ASN : amide:sc= -2.07! C(o=-2.4!,f=-6.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 9:sc= 0.00813 USER MOD Single : A 33 THR OG1 : rot -64:sc= 0.378 USER MOD Single : A 38 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.26) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= 0.0248 K(o=0.025,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= 1.2 K(o=1.2,f=-0.64) USER MOD Single : A 42 HIS : no HE2:sc= 0.227 K(o=0.23,f=-5.2!) USER MOD Single : A 43 SER OG : rot 180:sc=0.000843 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.168 USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.205 USER MOD Single : A 52 HIS : no HE2:sc= 0.647 K(o=0.65,f=-5.9!) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.622) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 123:sc= 0.461 USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 1.2 (180deg=1) USER MOD Single : A 64 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-1.6) USER MOD Single : A 88 HIS : no HE2:sc= 0.149 K(o=0.15,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 90 THR OG1 : rot -72:sc= 0.136 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -115:sc= 1.11 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 105 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 4.156 -9.080 -3.021 1.00 1.65 N ATOM 109 CA VAL A 29 3.744 -7.760 -2.575 1.00 1.29 C ATOM 110 C VAL A 29 3.876 -7.691 -1.067 1.00 1.04 C ATOM 111 O VAL A 29 3.358 -8.554 -0.360 1.00 1.10 O ATOM 112 CB VAL A 29 2.288 -7.437 -2.985 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.937 -5.993 -2.658 1.00 1.70 C ATOM 114 CG2 VAL A 29 2.076 -7.709 -4.465 1.00 1.82 C ATOM 0 HA VAL A 29 4.388 -7.022 -3.053 1.00 1.29 H new ATOM 0 HB VAL A 29 1.626 -8.087 -2.413 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.908 -5.792 -2.956 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.043 -5.827 -1.586 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.608 -5.324 -3.197 1.00 1.70 H new ATOM 0 HG21 VAL A 29 1.046 -7.476 -4.734 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.753 -7.087 -5.050 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.277 -8.760 -4.674 1.00 1.82 H new ATOM 124 N LYS A 30 4.599 -6.699 -0.580 1.00 0.90 N ATOM 125 CA LYS A 30 4.786 -6.562 0.851 1.00 0.79 C ATOM 126 C LYS A 30 3.491 -6.094 1.494 1.00 0.63 C ATOM 127 O LYS A 30 2.883 -5.120 1.044 1.00 0.66 O ATOM 128 CB LYS A 30 5.949 -5.620 1.208 1.00 0.87 C ATOM 129 CG LYS A 30 7.333 -6.147 0.822 1.00 1.26 C ATOM 130 CD LYS A 30 7.554 -6.147 -0.688 1.00 2.11 C ATOM 131 CE LYS A 30 8.836 -6.863 -1.094 1.00 2.93 C ATOM 132 NZ LYS A 30 9.030 -6.833 -2.573 1.00 3.71 N ATOM 0 H LYS A 30 5.060 -5.986 -1.145 1.00 0.90 H new ATOM 0 HA LYS A 30 5.053 -7.542 1.245 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.788 -4.662 0.714 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.932 -5.433 2.282 1.00 0.87 H new ATOM 0 HG2 LYS A 30 8.098 -5.534 1.299 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.453 -7.161 1.204 1.00 1.26 H new ATOM 0 HD2 LYS A 30 6.705 -6.626 -1.175 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.588 -5.118 -1.046 1.00 2.11 H new ATOM 0 HE2 LYS A 30 9.688 -6.393 -0.604 1.00 2.93 H new ATOM 0 HE3 LYS A 30 8.802 -7.897 -0.751 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 9.911 -7.328 -2.818 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.228 -7.304 -3.038 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.087 -5.846 -2.896 1.00 3.71 H new ATOM 146 N TYR A 31 3.063 -6.802 2.523 1.00 0.56 N ATOM 147 CA TYR A 31 1.799 -6.500 3.169 1.00 0.49 C ATOM 148 C TYR A 31 2.011 -5.790 4.504 1.00 0.50 C ATOM 149 O TYR A 31 3.085 -5.876 5.101 1.00 0.64 O ATOM 150 CB TYR A 31 0.985 -7.777 3.376 1.00 0.56 C ATOM 151 CG TYR A 31 0.871 -8.633 2.130 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.250 -8.149 0.986 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.383 -9.926 2.100 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.143 -8.927 -0.151 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.279 -10.708 0.966 1.00 0.94 C ATOM 156 CZ TYR A 31 0.662 -10.205 -0.155 1.00 0.89 C ATOM 157 OH TYR A 31 0.560 -10.981 -1.288 1.00 1.06 O ATOM 0 H TYR A 31 3.571 -7.588 2.929 1.00 0.56 H new ATOM 0 HA TYR A 31 1.245 -5.828 2.513 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.444 -8.366 4.170 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.016 -7.509 3.715 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.156 -7.148 0.985 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.870 -10.325 2.978 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.345 -8.536 -1.032 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.681 -11.710 0.960 1.00 0.94 H new ATOM 0 HH TYR A 31 0.976 -11.853 -1.126 1.00 1.06 H new ATOM 167 N TYR A 32 0.981 -5.082 4.949 1.00 0.43 N ATOM 168 CA TYR A 32 0.998 -4.409 6.245 1.00 0.46 C ATOM 169 C TYR A 32 -0.254 -4.776 7.018 1.00 0.53 C ATOM 170 O TYR A 32 -1.268 -5.126 6.416 1.00 0.89 O ATOM 171 CB TYR A 32 1.085 -2.893 6.060 1.00 0.46 C ATOM 172 CG TYR A 32 2.332 -2.458 5.330 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.405 -2.513 3.942 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.444 -2.013 6.029 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.549 -2.131 3.271 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.595 -1.630 5.364 1.00 1.20 C ATOM 177 CZ TYR A 32 4.639 -1.691 3.985 1.00 0.81 C ATOM 178 OH TYR A 32 5.779 -1.315 3.316 1.00 0.96 O ATOM 0 H TYR A 32 0.114 -4.957 4.426 1.00 0.43 H new ATOM 0 HA TYR A 32 1.875 -4.733 6.805 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.210 -2.549 5.509 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.056 -2.411 7.037 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.551 -2.861 3.379 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.411 -1.965 7.107 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.588 -2.177 2.193 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.454 -1.285 5.920 1.00 1.20 H new ATOM 0 HH TYR A 32 5.599 -1.288 2.353 1.00 0.96 H new ATOM 188 N THR A 33 -0.211 -4.703 8.335 1.00 0.48 N ATOM 189 CA THR A 33 -1.360 -5.110 9.119 1.00 0.57 C ATOM 190 C THR A 33 -2.390 -3.989 9.178 1.00 0.56 C ATOM 191 O THR A 33 -2.049 -2.805 9.109 1.00 0.60 O ATOM 192 CB THR A 33 -0.969 -5.547 10.551 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.430 -4.447 11.287 1.00 0.77 O ATOM 194 CG2 THR A 33 0.047 -6.683 10.514 1.00 0.82 C ATOM 0 H THR A 33 0.589 -4.373 8.875 1.00 0.48 H new ATOM 0 HA THR A 33 -1.796 -5.976 8.620 1.00 0.57 H new ATOM 0 HB THR A 33 -1.873 -5.898 11.048 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.405 -4.151 10.868 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.306 -6.973 11.532 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.382 -7.538 9.992 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.944 -6.352 9.992 1.00 0.82 H new ATOM 202 N LEU A 34 -3.656 -4.375 9.268 1.00 0.60 N ATOM 203 CA LEU A 34 -4.739 -3.422 9.421 1.00 0.64 C ATOM 204 C LEU A 34 -4.558 -2.649 10.726 1.00 0.58 C ATOM 205 O LEU A 34 -4.975 -1.498 10.873 1.00 0.59 O ATOM 206 CB LEU A 34 -6.078 -4.167 9.389 1.00 0.86 C ATOM 207 CG LEU A 34 -7.317 -3.292 9.602 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.423 -2.234 8.510 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.576 -4.146 9.647 1.00 1.46 C ATOM 0 H LEU A 34 -3.956 -5.349 9.237 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.729 -2.704 8.601 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.171 -4.673 8.428 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.063 -4.941 10.156 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.215 -2.783 10.561 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.310 -1.623 8.680 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.536 -1.600 8.530 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.499 -2.721 7.538 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.445 -3.506 9.799 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.683 -4.686 8.706 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.503 -4.859 10.468 1.00 1.46 H new ATOM 221 N GLU A 35 -3.887 -3.341 11.659 1.00 0.65 N ATOM 222 CA GLU A 35 -3.600 -2.851 13.003 1.00 0.77 C ATOM 223 C GLU A 35 -2.742 -1.597 12.962 1.00 0.73 C ATOM 224 O GLU A 35 -2.993 -0.620 13.661 1.00 0.88 O ATOM 225 CB GLU A 35 -2.816 -3.904 13.796 1.00 0.94 C ATOM 226 CG GLU A 35 -3.325 -5.335 13.696 1.00 1.41 C ATOM 227 CD GLU A 35 -2.455 -6.284 14.505 1.00 1.91 C ATOM 228 OE1 GLU A 35 -1.446 -6.787 13.963 1.00 2.56 O ATOM 229 OE2 GLU A 35 -2.760 -6.512 15.695 1.00 2.34 O ATOM 0 H GLU A 35 -3.523 -4.279 11.489 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.559 -2.636 13.474 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -1.779 -3.885 13.460 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.816 -3.613 14.846 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -4.353 -5.384 14.055 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -3.336 -5.648 12.652 1.00 1.41 H new ATOM 236 N GLU A 36 -1.671 -1.686 12.179 1.00 0.63 N ATOM 237 CA GLU A 36 -0.593 -0.713 12.235 1.00 0.74 C ATOM 238 C GLU A 36 -0.931 0.549 11.468 1.00 0.67 C ATOM 239 O GLU A 36 -0.483 1.634 11.819 1.00 0.82 O ATOM 240 CB GLU A 36 0.703 -1.337 11.711 1.00 0.85 C ATOM 241 CG GLU A 36 0.737 -1.571 10.209 1.00 0.95 C ATOM 242 CD GLU A 36 1.998 -2.287 9.782 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.041 -1.617 9.630 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.951 -3.527 9.634 1.00 1.67 O ATOM 0 H GLU A 36 -1.529 -2.429 11.495 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.454 -0.426 13.277 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.537 -0.690 11.983 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.861 -2.290 12.217 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.132 -2.158 9.913 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.668 -0.615 9.690 1.00 0.95 H new ATOM 251 N ILE A 37 -1.729 0.388 10.415 1.00 0.52 N ATOM 252 CA ILE A 37 -2.158 1.508 9.591 1.00 0.50 C ATOM 253 C ILE A 37 -3.107 2.400 10.376 1.00 0.53 C ATOM 254 O ILE A 37 -3.077 3.617 10.240 1.00 0.72 O ATOM 255 CB ILE A 37 -2.830 1.021 8.293 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.877 0.093 7.539 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.237 2.203 7.418 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.498 -0.569 6.334 1.00 0.72 C ATOM 0 H ILE A 37 -2.092 -0.516 10.113 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.275 2.084 9.314 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.734 0.469 8.549 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.006 0.664 7.219 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.520 -0.678 8.222 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.709 1.836 6.507 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.940 2.834 7.962 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.353 2.785 7.159 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.761 -1.211 5.852 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.352 -1.169 6.648 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.830 0.194 5.630 1.00 0.72 H new ATOM 270 N GLN A 38 -3.942 1.782 11.207 1.00 0.48 N ATOM 271 CA GLN A 38 -4.727 2.522 12.182 1.00 0.52 C ATOM 272 C GLN A 38 -3.792 3.258 13.124 1.00 0.54 C ATOM 273 O GLN A 38 -3.996 4.413 13.461 1.00 0.64 O ATOM 274 CB GLN A 38 -5.618 1.571 12.978 1.00 0.56 C ATOM 275 CG GLN A 38 -7.010 1.407 12.396 1.00 0.78 C ATOM 276 CD GLN A 38 -7.819 2.690 12.473 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.478 2.963 13.476 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.783 3.481 11.409 1.00 0.74 N ATOM 0 H GLN A 38 -4.090 0.773 11.222 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.361 3.238 11.660 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.138 0.594 13.028 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.703 1.938 14.001 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.932 1.091 11.356 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.535 0.616 12.931 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -7.224 3.219 10.597 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.314 4.352 11.403 1.00 0.74 H new ATOM 287 N LYS A 39 -2.734 2.565 13.510 1.00 0.54 N ATOM 288 CA LYS A 39 -1.820 3.039 14.535 1.00 0.62 C ATOM 289 C LYS A 39 -0.822 4.052 13.959 1.00 0.58 C ATOM 290 O LYS A 39 0.068 4.530 14.660 1.00 0.66 O ATOM 291 CB LYS A 39 -1.097 1.827 15.130 1.00 0.77 C ATOM 292 CG LYS A 39 -0.730 1.976 16.597 1.00 1.28 C ATOM 293 CD LYS A 39 -0.382 0.629 17.217 1.00 1.57 C ATOM 294 CE LYS A 39 -1.578 -0.315 17.197 1.00 2.08 C ATOM 295 NZ LYS A 39 -1.263 -1.651 17.782 1.00 2.52 N ATOM 0 H LYS A 39 -2.484 1.656 13.120 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.377 3.555 15.317 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.730 0.948 15.013 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.188 1.643 14.557 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.117 2.654 16.696 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -1.562 2.425 17.139 1.00 1.28 H new ATOM 0 HD2 LYS A 39 0.448 0.179 16.672 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -0.048 0.774 18.244 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -2.401 0.136 17.751 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -1.918 -0.443 16.169 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -2.109 -2.255 17.744 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.496 -2.096 17.239 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.964 -1.535 18.771 1.00 2.52 H new ATOM 309 N HIS A 40 -0.976 4.361 12.669 1.00 0.53 N ATOM 310 CA HIS A 40 -0.092 5.297 11.974 1.00 0.56 C ATOM 311 C HIS A 40 -0.890 6.499 11.466 1.00 0.65 C ATOM 312 O HIS A 40 -0.422 7.272 10.632 1.00 0.93 O ATOM 313 CB HIS A 40 0.628 4.598 10.800 1.00 0.56 C ATOM 314 CG HIS A 40 1.704 3.634 11.226 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.938 2.431 10.587 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.617 3.705 12.226 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.944 1.809 11.174 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.375 2.562 12.171 1.00 1.80 N ATOM 0 H HIS A 40 -1.713 3.972 12.081 1.00 0.53 H new ATOM 0 HA HIS A 40 0.662 5.647 12.679 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.110 4.062 10.203 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.070 5.357 10.155 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.414 2.078 9.786 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.727 4.512 12.935 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.346 0.848 10.888 1.00 1.59 H new ATOM 327 N ASN A 41 -2.106 6.635 12.003 1.00 0.56 N ATOM 328 CA ASN A 41 -3.104 7.603 11.508 1.00 0.64 C ATOM 329 C ASN A 41 -2.833 9.015 12.028 1.00 0.82 C ATOM 330 O ASN A 41 -3.601 9.942 11.769 1.00 1.20 O ATOM 331 CB ASN A 41 -4.512 7.175 11.966 1.00 0.69 C ATOM 332 CG ASN A 41 -4.853 7.621 13.388 1.00 1.20 C ATOM 333 OD1 ASN A 41 -5.388 8.711 13.603 1.00 1.76 O ATOM 334 ND2 ASN A 41 -4.576 6.776 14.366 1.00 1.74 N ATOM 0 H ASN A 41 -2.432 6.079 12.794 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.037 7.614 10.420 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.250 7.587 11.278 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.591 6.090 11.906 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -4.805 7.019 15.330 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -4.133 5.881 14.157 1.00 1.74 H new ATOM 341 N HIS A 42 -1.720 9.170 12.724 1.00 0.73 N ATOM 342 CA HIS A 42 -1.502 10.320 13.601 1.00 0.97 C ATOM 343 C HIS A 42 -0.289 11.117 13.163 1.00 1.06 C ATOM 344 O HIS A 42 0.576 10.562 12.515 1.00 1.54 O ATOM 345 CB HIS A 42 -1.303 9.837 15.050 1.00 1.05 C ATOM 346 CG HIS A 42 -0.244 8.763 15.210 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.879 8.675 14.404 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.154 7.722 16.076 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.602 7.633 14.766 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.001 7.036 15.777 1.00 1.08 N ATOM 0 H HIS A 42 -0.943 8.510 12.702 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.379 10.965 13.542 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.034 10.691 15.672 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.252 9.454 15.427 1.00 1.05 H new ATOM 0 HD1 HIS A 42 1.111 9.318 13.647 1.00 0.81 H new ATOM 0 HD2 HIS A 42 -0.859 7.477 16.856 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.530 7.321 14.311 1.00 0.87 H new ATOM 359 N SER A 43 -0.228 12.386 13.583 1.00 1.01 N ATOM 360 CA SER A 43 0.866 13.328 13.262 1.00 1.12 C ATOM 361 C SER A 43 2.173 12.658 12.788 1.00 0.97 C ATOM 362 O SER A 43 2.626 12.888 11.669 1.00 1.05 O ATOM 363 CB SER A 43 1.141 14.187 14.493 1.00 1.34 C ATOM 364 OG SER A 43 1.166 13.388 15.669 1.00 2.00 O ATOM 0 H SER A 43 -0.951 12.802 14.169 1.00 1.01 H new ATOM 0 HA SER A 43 0.527 13.927 12.417 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.095 14.702 14.377 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.373 14.955 14.586 1.00 1.34 H new ATOM 0 HG SER A 43 1.345 13.956 16.447 1.00 2.00 H new ATOM 370 N LYS A 44 2.771 11.847 13.678 1.00 0.89 N ATOM 371 CA LYS A 44 4.073 11.193 13.441 1.00 0.89 C ATOM 372 C LYS A 44 4.147 10.392 12.136 1.00 0.77 C ATOM 373 O LYS A 44 5.239 9.998 11.724 1.00 0.94 O ATOM 374 CB LYS A 44 4.405 10.246 14.594 1.00 1.01 C ATOM 375 CG LYS A 44 5.062 10.918 15.789 1.00 1.53 C ATOM 376 CD LYS A 44 5.755 9.892 16.669 1.00 2.16 C ATOM 377 CE LYS A 44 6.536 10.548 17.796 1.00 2.63 C ATOM 378 NZ LYS A 44 5.663 11.035 18.893 1.00 3.26 N ATOM 0 H LYS A 44 2.364 11.625 14.587 1.00 0.89 H new ATOM 0 HA LYS A 44 4.792 12.009 13.367 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.487 9.760 14.925 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.066 9.461 14.225 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.786 11.657 15.444 1.00 1.53 H new ATOM 0 HG3 LYS A 44 4.311 11.454 16.369 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.013 9.213 17.089 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.431 9.290 16.062 1.00 2.16 H new ATOM 0 HE2 LYS A 44 7.253 9.833 18.199 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.110 11.384 17.396 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 6.248 11.473 19.634 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 4.995 11.738 18.519 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 5.134 10.236 19.297 1.00 3.26 H new ATOM 392 N SER A 45 3.005 10.116 11.517 1.00 0.63 N ATOM 393 CA SER A 45 2.954 9.308 10.305 1.00 0.62 C ATOM 394 C SER A 45 1.701 9.659 9.501 1.00 0.65 C ATOM 395 O SER A 45 0.829 10.368 9.992 1.00 1.05 O ATOM 396 CB SER A 45 2.963 7.810 10.655 1.00 0.65 C ATOM 397 OG SER A 45 4.024 7.492 11.544 1.00 1.31 O ATOM 0 H SER A 45 2.094 10.444 11.839 1.00 0.63 H new ATOM 0 HA SER A 45 3.835 9.523 9.701 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.011 7.535 11.109 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.062 7.222 9.742 1.00 0.65 H new ATOM 0 HG SER A 45 4.003 6.534 11.749 1.00 1.31 H new ATOM 403 N THR A 46 1.603 9.178 8.275 1.00 0.43 N ATOM 404 CA THR A 46 0.371 9.337 7.513 1.00 0.42 C ATOM 405 C THR A 46 0.226 8.230 6.468 1.00 0.39 C ATOM 406 O THR A 46 0.800 8.311 5.381 1.00 0.47 O ATOM 407 CB THR A 46 0.300 10.703 6.792 1.00 0.51 C ATOM 408 OG1 THR A 46 0.522 11.774 7.716 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.053 10.889 6.117 1.00 0.64 C ATOM 0 H THR A 46 2.348 8.680 7.788 1.00 0.43 H new ATOM 0 HA THR A 46 -0.442 9.279 8.236 1.00 0.42 H new ATOM 0 HB THR A 46 1.081 10.718 6.032 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.415 11.443 8.632 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.080 11.857 5.616 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.206 10.097 5.384 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.843 10.847 6.867 1.00 0.64 H new ATOM 417 N TRP A 47 -0.522 7.192 6.805 1.00 0.37 N ATOM 418 CA TRP A 47 -0.794 6.120 5.858 1.00 0.36 C ATOM 419 C TRP A 47 -2.273 6.092 5.511 1.00 0.37 C ATOM 420 O TRP A 47 -3.096 6.582 6.279 1.00 0.50 O ATOM 421 CB TRP A 47 -0.384 4.757 6.418 1.00 0.37 C ATOM 422 CG TRP A 47 1.095 4.563 6.561 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.079 5.486 6.358 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.754 3.351 6.929 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.307 4.922 6.591 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.132 3.610 6.935 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.311 2.064 7.244 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.069 2.640 7.264 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.242 1.100 7.567 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.609 1.390 7.568 1.00 0.47 C ATOM 0 H TRP A 47 -0.950 7.068 7.722 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.205 6.317 4.962 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.851 4.624 7.394 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.779 3.977 5.767 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.915 6.510 6.058 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.204 5.402 6.519 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.257 1.828 7.235 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.125 2.866 7.279 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.910 0.105 7.823 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.315 0.611 7.814 1.00 0.47 H new ATOM 441 N LEU A 48 -2.617 5.514 4.376 1.00 0.31 N ATOM 442 CA LEU A 48 -4.015 5.327 4.032 1.00 0.31 C ATOM 443 C LEU A 48 -4.199 4.093 3.168 1.00 0.28 C ATOM 444 O LEU A 48 -3.229 3.444 2.775 1.00 0.29 O ATOM 445 CB LEU A 48 -4.606 6.544 3.306 1.00 0.37 C ATOM 446 CG LEU A 48 -4.090 6.752 1.879 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.132 7.458 1.028 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.795 7.545 1.893 1.00 0.55 C ATOM 0 H LEU A 48 -1.955 5.168 3.681 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.549 5.200 4.974 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.690 6.439 3.274 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.389 7.439 3.890 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.895 5.773 1.441 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.745 7.596 0.018 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.039 6.855 0.990 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.360 8.430 1.465 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.442 7.684 0.871 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.969 8.518 2.352 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.043 7.003 2.466 1.00 0.55 H new ATOM 460 N ILE A 49 -5.452 3.776 2.881 1.00 0.34 N ATOM 461 CA ILE A 49 -5.806 2.686 1.988 1.00 0.36 C ATOM 462 C ILE A 49 -6.922 3.167 1.069 1.00 0.42 C ATOM 463 O ILE A 49 -7.911 3.727 1.521 1.00 0.65 O ATOM 464 CB ILE A 49 -6.295 1.450 2.782 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.286 1.067 3.860 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.529 0.255 1.865 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.847 0.092 4.865 1.00 0.46 C ATOM 0 H ILE A 49 -6.257 4.272 3.264 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.926 2.393 1.415 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.241 1.722 3.250 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.406 0.630 3.389 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -4.956 1.967 4.379 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.872 -0.595 2.455 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.285 0.509 1.122 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.598 -0.005 1.361 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.085 -0.144 5.607 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.711 0.536 5.360 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.152 -0.822 4.355 1.00 0.46 H new ATOM 479 N LEU A 50 -6.743 2.998 -0.223 1.00 0.41 N ATOM 480 CA LEU A 50 -7.775 3.396 -1.165 1.00 0.53 C ATOM 481 C LEU A 50 -8.743 2.255 -1.418 1.00 0.78 C ATOM 482 O LEU A 50 -9.904 2.319 -1.033 1.00 1.77 O ATOM 483 CB LEU A 50 -7.153 3.915 -2.471 1.00 0.49 C ATOM 484 CG LEU A 50 -6.699 5.386 -2.427 1.00 0.49 C ATOM 485 CD1 LEU A 50 -6.283 5.873 -3.808 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.814 6.263 -1.871 1.00 0.99 C ATOM 0 H LEU A 50 -5.907 2.594 -0.644 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.344 4.216 -0.726 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -6.295 3.291 -2.722 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.879 3.797 -3.275 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.832 5.455 -1.770 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.967 6.914 -3.747 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -5.457 5.264 -4.175 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -7.127 5.789 -4.493 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.482 7.301 -1.845 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.694 6.180 -2.508 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.065 5.936 -0.862 1.00 0.99 H new ATOM 498 N HIS A 51 -8.254 1.218 -2.060 1.00 0.67 N ATOM 499 CA HIS A 51 -9.080 0.054 -2.396 1.00 0.73 C ATOM 500 C HIS A 51 -8.480 -1.227 -1.820 1.00 0.82 C ATOM 501 O HIS A 51 -9.195 -2.064 -1.290 1.00 1.80 O ATOM 502 CB HIS A 51 -9.270 -0.061 -3.918 1.00 0.79 C ATOM 503 CG HIS A 51 -10.263 0.920 -4.477 1.00 1.23 C ATOM 504 ND1 HIS A 51 -11.207 0.586 -5.423 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.460 2.229 -4.206 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.940 1.649 -5.700 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.510 2.661 -4.973 1.00 2.30 N ATOM 0 H HIS A 51 -7.284 1.146 -2.366 1.00 0.67 H new ATOM 0 HA HIS A 51 -10.062 0.195 -1.944 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.308 0.089 -4.408 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.596 -1.073 -4.160 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -11.322 -0.336 -5.843 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -9.892 2.828 -3.510 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.757 1.683 -6.406 1.00 2.45 H new ATOM 516 N HIS A 52 -7.163 -1.389 -1.952 1.00 0.46 N ATOM 517 CA HIS A 52 -6.456 -2.496 -1.299 1.00 0.42 C ATOM 518 C HIS A 52 -4.953 -2.219 -1.207 1.00 0.43 C ATOM 519 O HIS A 52 -4.229 -2.922 -0.507 1.00 0.81 O ATOM 520 CB HIS A 52 -6.709 -3.855 -1.979 1.00 0.58 C ATOM 521 CG HIS A 52 -6.612 -3.845 -3.461 1.00 1.12 C ATOM 522 ND1 HIS A 52 -5.660 -4.539 -4.166 1.00 1.75 N ATOM 523 CD2 HIS A 52 -7.390 -3.241 -4.368 1.00 1.81 C ATOM 524 CE1 HIS A 52 -5.860 -4.364 -5.454 1.00 2.34 C ATOM 525 NE2 HIS A 52 -6.912 -3.577 -5.610 1.00 2.36 N ATOM 0 H HIS A 52 -6.565 -0.772 -2.502 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.865 -2.561 -0.291 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -5.993 -4.578 -1.588 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -7.702 -4.205 -1.698 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -4.915 -5.102 -3.755 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -8.238 -2.606 -4.160 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -5.266 -4.790 -6.249 1.00 2.34 H new ATOM 534 N LYS A 53 -4.490 -1.208 -1.942 1.00 0.33 N ATOM 535 CA LYS A 53 -3.103 -0.759 -1.847 1.00 0.36 C ATOM 536 C LYS A 53 -2.950 0.253 -0.716 1.00 0.29 C ATOM 537 O LYS A 53 -3.728 1.206 -0.633 1.00 0.32 O ATOM 538 CB LYS A 53 -2.639 -0.135 -3.169 1.00 0.45 C ATOM 539 CG LYS A 53 -2.335 -1.143 -4.267 1.00 0.66 C ATOM 540 CD LYS A 53 -0.972 -1.788 -4.070 1.00 0.95 C ATOM 541 CE LYS A 53 -0.441 -2.431 -5.347 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.196 -3.651 -5.746 1.00 1.76 N ATOM 0 H LYS A 53 -5.056 -0.685 -2.610 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.480 -1.628 -1.636 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.410 0.549 -3.524 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.746 0.461 -2.982 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -3.105 -1.914 -4.278 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -2.367 -0.647 -5.237 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -0.264 -1.035 -3.724 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.041 -2.544 -3.288 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -0.484 -1.704 -6.158 1.00 1.25 H new ATOM 0 HE3 LYS A 53 0.608 -2.690 -5.207 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.953 -3.905 -6.725 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.946 -4.437 -5.112 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.217 -3.465 -5.680 1.00 1.76 H new ATOM 556 N VAL A 54 -1.963 0.046 0.145 1.00 0.27 N ATOM 557 CA VAL A 54 -1.678 0.981 1.229 1.00 0.25 C ATOM 558 C VAL A 54 -0.705 2.049 0.722 1.00 0.23 C ATOM 559 O VAL A 54 0.184 1.758 -0.091 1.00 0.25 O ATOM 560 CB VAL A 54 -1.085 0.254 2.468 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.221 -0.446 2.132 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.890 1.218 3.633 1.00 0.32 C ATOM 0 H VAL A 54 -1.343 -0.764 0.115 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.612 1.448 1.543 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.805 -0.506 2.770 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.607 -0.943 3.022 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.047 -1.185 1.350 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.948 0.288 1.783 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.474 0.680 4.485 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.206 2.013 3.337 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.851 1.651 3.912 1.00 0.32 H new ATOM 572 N TYR A 55 -0.876 3.283 1.168 1.00 0.23 N ATOM 573 CA TYR A 55 0.004 4.360 0.741 1.00 0.25 C ATOM 574 C TYR A 55 0.696 4.993 1.933 1.00 0.27 C ATOM 575 O TYR A 55 0.185 4.945 3.054 1.00 0.35 O ATOM 576 CB TYR A 55 -0.747 5.461 -0.022 1.00 0.27 C ATOM 577 CG TYR A 55 -1.379 5.030 -1.328 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.486 4.187 -1.337 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.858 5.441 -2.549 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.055 3.771 -2.527 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.421 5.030 -3.739 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.564 4.280 -3.732 1.00 0.42 C ATOM 583 OH TYR A 55 -3.079 3.783 -4.915 1.00 0.49 O ATOM 0 H TYR A 55 -1.609 3.563 1.820 1.00 0.23 H new ATOM 0 HA TYR A 55 0.736 3.908 0.072 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.528 5.861 0.625 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.053 6.277 -0.225 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.907 3.852 -0.401 1.00 0.74 H new ATOM 0 HD2 TYR A 55 0.002 6.093 -2.566 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.869 3.061 -2.525 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -0.959 5.301 -4.677 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.646 4.228 -5.673 1.00 0.49 H new ATOM 593 N ASP A 56 1.850 5.584 1.678 1.00 0.34 N ATOM 594 CA ASP A 56 2.513 6.434 2.659 1.00 0.38 C ATOM 595 C ASP A 56 2.634 7.844 2.101 1.00 0.38 C ATOM 596 O ASP A 56 3.121 8.032 0.985 1.00 0.48 O ATOM 597 CB ASP A 56 3.899 5.883 3.034 1.00 0.47 C ATOM 598 CG ASP A 56 4.749 6.859 3.837 1.00 0.63 C ATOM 599 OD1 ASP A 56 5.458 7.684 3.230 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.688 6.828 5.082 1.00 1.32 O ATOM 0 H ASP A 56 2.352 5.492 0.795 1.00 0.34 H new ATOM 0 HA ASP A 56 1.912 6.451 3.568 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.772 4.966 3.610 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.433 5.615 2.122 1.00 0.47 H new ATOM 605 N LEU A 57 2.164 8.833 2.836 1.00 0.37 N ATOM 606 CA LEU A 57 2.331 10.204 2.390 1.00 0.39 C ATOM 607 C LEU A 57 3.462 10.869 3.154 1.00 0.51 C ATOM 608 O LEU A 57 4.515 11.161 2.585 1.00 1.12 O ATOM 609 CB LEU A 57 1.039 11.006 2.539 1.00 0.45 C ATOM 610 CG LEU A 57 -0.208 10.342 1.956 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.435 11.192 2.229 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.033 10.110 0.463 1.00 1.27 C ATOM 0 H LEU A 57 1.675 8.720 3.724 1.00 0.37 H new ATOM 0 HA LEU A 57 2.583 10.183 1.330 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.868 11.197 3.599 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.174 11.975 2.058 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.349 9.375 2.439 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.315 10.706 1.808 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.565 11.309 3.305 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.308 12.173 1.771 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -0.929 9.636 0.061 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.128 11.065 -0.037 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.827 9.462 0.294 1.00 1.27 H new ATOM 624 N THR A 58 3.226 11.062 4.452 1.00 0.54 N ATOM 625 CA THR A 58 4.193 11.642 5.384 1.00 0.56 C ATOM 626 C THR A 58 4.723 13.015 4.926 1.00 0.66 C ATOM 627 O THR A 58 4.333 14.045 5.472 1.00 1.15 O ATOM 628 CB THR A 58 5.347 10.654 5.645 1.00 0.65 C ATOM 629 OG1 THR A 58 4.808 9.409 6.118 1.00 1.43 O ATOM 630 CG2 THR A 58 6.320 11.198 6.677 1.00 1.12 C ATOM 0 H THR A 58 2.340 10.815 4.893 1.00 0.54 H new ATOM 0 HA THR A 58 3.665 11.822 6.320 1.00 0.56 H new ATOM 0 HB THR A 58 5.886 10.506 4.709 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.101 8.681 5.531 1.00 1.43 H new ATOM 0 HG21 THR A 58 7.121 10.477 6.837 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.743 12.137 6.319 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.795 11.372 7.616 1.00 1.12 H new ATOM 638 N LYS A 59 5.591 13.034 3.922 1.00 0.57 N ATOM 639 CA LYS A 59 6.128 14.284 3.392 1.00 0.58 C ATOM 640 C LYS A 59 5.128 14.945 2.444 1.00 0.48 C ATOM 641 O LYS A 59 5.044 16.168 2.345 1.00 0.54 O ATOM 642 CB LYS A 59 7.460 14.025 2.679 1.00 0.69 C ATOM 643 CG LYS A 59 8.669 14.234 3.581 1.00 1.37 C ATOM 644 CD LYS A 59 8.727 15.665 4.098 1.00 1.96 C ATOM 645 CE LYS A 59 8.967 16.634 2.958 1.00 2.58 C ATOM 646 NZ LYS A 59 8.881 18.052 3.390 1.00 3.59 N ATOM 0 H LYS A 59 5.940 12.196 3.456 1.00 0.57 H new ATOM 0 HA LYS A 59 6.304 14.966 4.224 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.470 13.003 2.299 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.539 14.687 1.816 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.623 13.542 4.422 1.00 1.37 H new ATOM 0 HG3 LYS A 59 9.581 14.006 3.030 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.793 15.913 4.603 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.524 15.759 4.836 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.951 16.448 2.528 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.235 16.452 2.171 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 9.467 18.641 2.765 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 7.892 18.371 3.340 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 9.223 18.138 4.368 1.00 3.59 H new ATOM 660 N PHE A 60 4.365 14.081 1.762 1.00 0.40 N ATOM 661 CA PHE A 60 3.431 14.465 0.690 1.00 0.35 C ATOM 662 C PHE A 60 2.347 15.405 1.178 1.00 0.36 C ATOM 663 O PHE A 60 1.667 16.045 0.373 1.00 0.40 O ATOM 664 CB PHE A 60 2.762 13.207 0.139 1.00 0.37 C ATOM 665 CG PHE A 60 1.837 13.459 -1.012 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.331 13.862 -2.241 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.471 13.285 -0.863 1.00 1.62 C ATOM 668 CE1 PHE A 60 1.477 14.094 -3.300 1.00 1.72 C ATOM 669 CE2 PHE A 60 -0.388 13.513 -1.918 1.00 2.01 C ATOM 670 CZ PHE A 60 0.115 13.917 -3.141 1.00 1.72 C ATOM 0 H PHE A 60 4.378 13.077 1.941 1.00 0.40 H new ATOM 0 HA PHE A 60 4.008 14.981 -0.077 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.535 12.506 -0.177 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.203 12.725 0.941 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.395 13.996 -2.372 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.074 12.967 0.090 1.00 1.62 H new ATOM 0 HE1 PHE A 60 1.873 14.414 -4.253 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -1.452 13.376 -1.789 1.00 2.01 H new ATOM 0 HZ PHE A 60 -0.554 14.094 -3.970 1.00 1.72 H new ATOM 680 N LEU A 61 2.203 15.465 2.491 1.00 0.38 N ATOM 681 CA LEU A 61 1.132 16.203 3.136 1.00 0.44 C ATOM 682 C LEU A 61 1.033 17.641 2.624 1.00 0.47 C ATOM 683 O LEU A 61 -0.061 18.168 2.434 1.00 0.60 O ATOM 684 CB LEU A 61 1.342 16.178 4.658 1.00 0.50 C ATOM 685 CG LEU A 61 1.355 14.772 5.279 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.489 14.826 6.796 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.103 14.013 4.881 1.00 0.61 C ATOM 0 H LEU A 61 2.832 14.998 3.144 1.00 0.38 H new ATOM 0 HA LEU A 61 0.187 15.718 2.889 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.286 16.672 4.890 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.552 16.762 5.130 1.00 0.50 H new ATOM 0 HG LEU A 61 2.228 14.245 4.894 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.494 13.812 7.197 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.420 15.326 7.061 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.648 15.378 7.216 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.123 13.018 5.327 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.777 14.551 5.234 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.062 13.923 3.795 1.00 0.61 H new ATOM 699 N GLU A 62 2.195 18.250 2.363 1.00 0.46 N ATOM 700 CA GLU A 62 2.295 19.691 2.096 1.00 0.55 C ATOM 701 C GLU A 62 2.089 20.022 0.620 1.00 0.53 C ATOM 702 O GLU A 62 1.735 21.146 0.266 1.00 0.72 O ATOM 703 CB GLU A 62 3.664 20.201 2.557 1.00 0.68 C ATOM 704 CG GLU A 62 4.835 19.460 1.933 1.00 0.99 C ATOM 705 CD GLU A 62 6.165 19.892 2.507 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.583 19.321 3.538 1.00 1.62 O ATOM 707 OE2 GLU A 62 6.804 20.797 1.928 1.00 1.60 O ATOM 0 H GLU A 62 3.090 17.761 2.331 1.00 0.46 H new ATOM 0 HA GLU A 62 1.500 20.187 2.653 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.747 21.261 2.316 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.727 20.115 3.642 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.707 18.389 2.088 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.836 19.629 0.856 1.00 0.99 H new ATOM 714 N GLU A 63 2.341 19.025 -0.217 1.00 0.42 N ATOM 715 CA GLU A 63 2.339 19.162 -1.672 1.00 0.48 C ATOM 716 C GLU A 63 0.950 18.928 -2.249 1.00 0.46 C ATOM 717 O GLU A 63 0.660 19.317 -3.381 1.00 0.66 O ATOM 718 CB GLU A 63 3.317 18.134 -2.242 1.00 0.59 C ATOM 719 CG GLU A 63 4.678 18.698 -2.600 1.00 1.05 C ATOM 720 CD GLU A 63 4.632 19.586 -3.824 1.00 1.31 C ATOM 721 OE1 GLU A 63 4.780 19.062 -4.948 1.00 2.03 O ATOM 722 OE2 GLU A 63 4.450 20.808 -3.673 1.00 1.83 O ATOM 0 H GLU A 63 2.557 18.080 0.099 1.00 0.42 H new ATOM 0 HA GLU A 63 2.638 20.175 -1.941 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.449 17.333 -1.514 1.00 0.59 H new ATOM 0 HB3 GLU A 63 2.877 17.686 -3.133 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.065 19.268 -1.756 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.373 17.877 -2.776 1.00 1.05 H new ATOM 729 N HIS A 64 0.106 18.269 -1.464 1.00 0.33 N ATOM 730 CA HIS A 64 -1.256 17.938 -1.884 1.00 0.32 C ATOM 731 C HIS A 64 -2.169 19.166 -1.764 1.00 0.42 C ATOM 732 O HIS A 64 -2.128 19.862 -0.748 1.00 0.52 O ATOM 733 CB HIS A 64 -1.773 16.771 -1.030 1.00 0.38 C ATOM 734 CG HIS A 64 -3.109 16.128 -1.381 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.254 16.284 -0.630 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.404 15.252 -2.409 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.220 15.520 -1.176 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.737 14.884 -2.250 1.00 0.36 N ATOM 0 H HIS A 64 0.341 17.950 -0.524 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.255 17.635 -2.931 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -1.016 15.987 -1.052 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.838 17.122 -0.000 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.731 14.918 -3.185 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.230 15.434 -0.804 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -5.256 14.241 -2.848 1.00 0.36 H new ATOM 746 N PRO A 65 -3.013 19.443 -2.799 1.00 0.51 N ATOM 747 CA PRO A 65 -3.870 20.652 -2.860 1.00 0.73 C ATOM 748 C PRO A 65 -4.761 20.817 -1.627 1.00 0.90 C ATOM 749 O PRO A 65 -5.039 21.933 -1.189 1.00 1.46 O ATOM 750 CB PRO A 65 -4.726 20.437 -4.117 1.00 0.96 C ATOM 751 CG PRO A 65 -4.566 18.995 -4.474 1.00 0.81 C ATOM 752 CD PRO A 65 -3.202 18.590 -3.989 1.00 0.55 C ATOM 0 HA PRO A 65 -3.268 21.560 -2.891 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.771 20.679 -3.925 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.394 21.081 -4.931 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -5.341 18.390 -4.004 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -4.655 18.849 -5.550 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.160 17.530 -3.738 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -2.435 18.770 -4.742 1.00 0.55 H new ATOM 760 N GLY A 66 -5.221 19.700 -1.093 1.00 1.08 N ATOM 761 CA GLY A 66 -5.937 19.713 0.164 1.00 1.38 C ATOM 762 C GLY A 66 -5.142 18.965 1.209 1.00 1.38 C ATOM 763 O GLY A 66 -5.529 17.879 1.634 1.00 2.03 O ATOM 0 H GLY A 66 -5.111 18.776 -1.511 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.105 20.740 0.487 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.917 19.253 0.040 1.00 1.38 H new ATOM 767 N GLY A 67 -4.020 19.547 1.612 1.00 1.25 N ATOM 768 CA GLY A 67 -3.007 18.796 2.322 1.00 1.70 C ATOM 769 C GLY A 67 -3.117 18.840 3.831 1.00 1.24 C ATOM 770 O GLY A 67 -3.917 19.592 4.393 1.00 1.66 O ATOM 0 H GLY A 67 -3.794 20.530 1.458 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -3.055 17.756 2.000 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -2.026 19.175 2.033 1.00 1.70 H new ATOM 774 N GLU A 68 -2.283 18.009 4.456 1.00 1.38 N ATOM 775 CA GLU A 68 -2.152 17.877 5.913 1.00 1.18 C ATOM 776 C GLU A 68 -3.470 17.530 6.613 1.00 0.94 C ATOM 777 O GLU A 68 -3.793 16.382 6.861 1.00 0.98 O ATOM 778 CB GLU A 68 -1.490 19.110 6.536 1.00 1.50 C ATOM 779 CG GLU A 68 -1.175 18.935 8.019 1.00 1.48 C ATOM 780 CD GLU A 68 -0.478 20.133 8.640 1.00 2.09 C ATOM 781 OE1 GLU A 68 -1.144 21.162 8.875 1.00 2.25 O ATOM 782 OE2 GLU A 68 0.735 20.041 8.920 1.00 2.88 O ATOM 0 H GLU A 68 -1.656 17.386 3.947 1.00 1.38 H new ATOM 0 HA GLU A 68 -1.492 17.025 6.077 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -0.568 19.331 5.998 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -2.147 19.971 6.409 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.103 18.746 8.559 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.546 18.054 8.146 1.00 1.48 H new ATOM 789 N GLU A 69 -4.246 18.591 6.901 1.00 0.91 N ATOM 790 CA GLU A 69 -5.452 18.481 7.721 1.00 0.84 C ATOM 791 C GLU A 69 -6.447 17.473 7.142 1.00 0.75 C ATOM 792 O GLU A 69 -7.001 16.646 7.858 1.00 0.78 O ATOM 793 CB GLU A 69 -6.122 19.857 7.899 1.00 0.97 C ATOM 794 CG GLU A 69 -6.660 20.486 6.613 1.00 1.64 C ATOM 795 CD GLU A 69 -7.296 21.851 6.836 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.455 21.904 7.302 1.00 2.27 O ATOM 797 OE2 GLU A 69 -6.634 22.874 6.542 1.00 2.63 O ATOM 0 H GLU A 69 -4.052 19.537 6.572 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.143 18.113 8.699 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -6.944 19.755 8.607 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -5.400 20.541 8.345 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.845 20.584 5.895 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.397 19.817 6.169 1.00 1.64 H new ATOM 804 N VAL A 70 -6.651 17.569 5.830 1.00 0.79 N ATOM 805 CA VAL A 70 -7.728 16.870 5.138 1.00 0.86 C ATOM 806 C VAL A 70 -7.451 15.373 5.032 1.00 0.82 C ATOM 807 O VAL A 70 -8.376 14.568 4.923 1.00 1.01 O ATOM 808 CB VAL A 70 -7.930 17.451 3.720 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.126 16.809 3.030 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.089 18.964 3.766 1.00 1.41 C ATOM 0 H VAL A 70 -6.069 18.138 5.215 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.634 17.014 5.726 1.00 0.86 H new ATOM 0 HB VAL A 70 -7.037 17.220 3.139 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -9.244 17.237 2.034 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -8.964 15.734 2.946 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -10.027 16.996 3.615 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -8.230 19.346 2.755 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -8.956 19.220 4.375 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -7.195 19.411 4.202 1.00 1.41 H new ATOM 820 N LEU A 71 -6.180 15.001 5.065 1.00 0.72 N ATOM 821 CA LEU A 71 -5.781 13.602 4.928 1.00 0.74 C ATOM 822 C LEU A 71 -6.141 12.800 6.170 1.00 0.70 C ATOM 823 O LEU A 71 -6.445 11.604 6.080 1.00 0.77 O ATOM 824 CB LEU A 71 -4.268 13.465 4.695 1.00 0.84 C ATOM 825 CG LEU A 71 -3.727 13.908 3.329 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.450 13.187 2.202 1.00 1.62 C ATOM 827 CD2 LEU A 71 -3.827 15.413 3.154 1.00 1.69 C ATOM 0 H LEU A 71 -5.402 15.649 5.186 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.321 13.214 4.065 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -3.754 14.040 5.465 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -3.996 12.420 4.843 1.00 0.84 H new ATOM 0 HG LEU A 71 -2.672 13.638 3.289 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.050 13.517 1.243 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -4.304 12.112 2.305 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -5.515 13.415 2.248 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -3.435 15.692 2.176 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.870 15.719 3.228 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -3.247 15.909 3.932 1.00 1.69 H new ATOM 839 N ARG A 72 -6.114 13.472 7.311 1.00 0.70 N ATOM 840 CA ARG A 72 -6.226 12.804 8.601 1.00 0.78 C ATOM 841 C ARG A 72 -7.529 12.023 8.744 1.00 0.92 C ATOM 842 O ARG A 72 -7.578 10.964 9.363 1.00 1.03 O ATOM 843 CB ARG A 72 -6.082 13.828 9.724 1.00 0.77 C ATOM 844 CG ARG A 72 -4.690 14.450 9.794 1.00 1.42 C ATOM 845 CD ARG A 72 -4.503 15.281 11.053 1.00 1.49 C ATOM 846 NE ARG A 72 -4.778 14.515 12.262 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.911 15.058 13.469 1.00 2.48 C ATOM 848 NH1 ARG A 72 -4.823 16.372 13.624 1.00 2.24 N ATOM 849 NH2 ARG A 72 -5.149 14.284 14.518 1.00 3.47 N ATOM 0 H ARG A 72 -6.015 14.485 7.371 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.419 12.074 8.667 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.820 14.618 9.584 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.307 13.348 10.676 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.938 13.661 9.765 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.528 15.077 8.918 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.481 15.659 11.089 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -5.163 16.148 11.016 1.00 1.49 H new ATOM 0 HE ARG A 72 -4.874 13.503 12.178 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.653 16.971 12.816 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -4.926 16.784 14.551 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -5.230 13.274 14.399 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -5.251 14.698 15.445 1.00 3.47 H new ATOM 863 N GLU A 73 -8.589 12.602 8.154 1.00 1.13 N ATOM 864 CA GLU A 73 -9.972 12.131 8.310 1.00 1.55 C ATOM 865 C GLU A 73 -10.131 10.679 7.889 1.00 1.28 C ATOM 866 O GLU A 73 -10.991 9.966 8.411 1.00 1.60 O ATOM 867 CB GLU A 73 -10.914 13.008 7.473 1.00 1.97 C ATOM 868 CG GLU A 73 -12.377 12.582 7.549 1.00 2.63 C ATOM 869 CD GLU A 73 -13.273 13.330 6.578 1.00 3.18 C ATOM 870 OE1 GLU A 73 -13.334 12.935 5.392 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.890 14.335 6.987 1.00 3.65 O ATOM 0 H GLU A 73 -8.506 13.419 7.549 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.226 12.203 9.367 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.828 14.042 7.808 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.591 12.983 6.432 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.448 11.513 7.348 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.742 12.740 8.564 1.00 2.63 H new ATOM 878 N GLN A 74 -9.310 10.266 6.937 1.00 0.77 N ATOM 879 CA GLN A 74 -9.462 8.975 6.284 1.00 0.62 C ATOM 880 C GLN A 74 -8.171 8.158 6.391 1.00 0.56 C ATOM 881 O GLN A 74 -8.125 6.985 6.017 1.00 0.64 O ATOM 882 CB GLN A 74 -9.831 9.221 4.821 1.00 0.63 C ATOM 883 CG GLN A 74 -11.162 9.942 4.650 1.00 0.76 C ATOM 884 CD GLN A 74 -12.354 9.031 4.865 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.859 8.883 5.979 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.825 8.423 3.791 1.00 1.68 N ATOM 0 H GLN A 74 -8.521 10.815 6.595 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.249 8.401 6.773 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.044 9.808 4.348 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.873 8.265 4.298 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.213 10.773 5.354 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.213 10.369 3.649 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.380 8.570 2.885 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.634 7.806 3.868 1.00 1.68 H new ATOM 895 N ALA A 75 -7.126 8.799 6.906 1.00 0.55 N ATOM 896 CA ALA A 75 -5.826 8.162 7.062 1.00 0.58 C ATOM 897 C ALA A 75 -5.842 7.192 8.232 1.00 0.52 C ATOM 898 O ALA A 75 -6.162 7.569 9.356 1.00 0.70 O ATOM 899 CB ALA A 75 -4.749 9.212 7.272 1.00 0.70 C ATOM 0 H ALA A 75 -7.157 9.768 7.224 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.605 7.604 6.152 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.782 8.723 7.387 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.718 9.879 6.410 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.973 9.789 8.169 1.00 0.70 H new ATOM 905 N GLY A 76 -5.478 5.952 7.960 1.00 0.49 N ATOM 906 CA GLY A 76 -5.552 4.917 8.965 1.00 0.58 C ATOM 907 C GLY A 76 -6.358 3.736 8.478 1.00 0.48 C ATOM 908 O GLY A 76 -6.325 2.664 9.077 1.00 0.72 O ATOM 0 H GLY A 76 -5.130 5.641 7.053 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.546 4.590 9.228 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.004 5.319 9.872 1.00 0.58 H new ATOM 912 N GLY A 77 -7.093 3.950 7.400 1.00 0.42 N ATOM 913 CA GLY A 77 -7.838 2.876 6.778 1.00 0.52 C ATOM 914 C GLY A 77 -8.263 3.241 5.379 1.00 0.44 C ATOM 915 O GLY A 77 -7.527 3.931 4.672 1.00 0.78 O ATOM 0 H GLY A 77 -7.188 4.856 6.941 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.226 1.975 6.751 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.718 2.646 7.379 1.00 0.52 H new ATOM 919 N ASP A 78 -9.441 2.789 4.976 1.00 0.55 N ATOM 920 CA ASP A 78 -9.945 3.072 3.639 1.00 0.72 C ATOM 921 C ASP A 78 -10.361 4.538 3.497 1.00 0.67 C ATOM 922 O ASP A 78 -10.905 5.130 4.429 1.00 1.04 O ATOM 923 CB ASP A 78 -11.086 2.118 3.249 1.00 1.14 C ATOM 924 CG ASP A 78 -12.245 2.108 4.235 1.00 1.82 C ATOM 925 OD1 ASP A 78 -12.026 1.781 5.426 1.00 2.28 O ATOM 926 OD2 ASP A 78 -13.388 2.386 3.814 1.00 2.59 O ATOM 0 H ASP A 78 -10.065 2.226 5.554 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.128 2.897 2.940 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -11.461 2.399 2.265 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -10.688 1.107 3.161 1.00 1.14 H new ATOM 931 N ALA A 79 -10.098 5.116 2.328 1.00 0.54 N ATOM 932 CA ALA A 79 -10.383 6.529 2.087 1.00 0.58 C ATOM 933 C ALA A 79 -11.103 6.751 0.755 1.00 0.56 C ATOM 934 O ALA A 79 -11.319 7.895 0.345 1.00 0.67 O ATOM 935 CB ALA A 79 -9.082 7.318 2.115 1.00 0.73 C ATOM 0 H ALA A 79 -9.688 4.628 1.532 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.049 6.878 2.877 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.292 8.372 1.935 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.608 7.203 3.090 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.413 6.944 1.340 1.00 0.73 H new ATOM 941 N THR A 80 -11.497 5.667 0.093 1.00 0.54 N ATOM 942 CA THR A 80 -12.088 5.753 -1.248 1.00 0.60 C ATOM 943 C THR A 80 -13.404 6.551 -1.265 1.00 0.65 C ATOM 944 O THR A 80 -13.894 6.921 -2.334 1.00 0.84 O ATOM 945 CB THR A 80 -12.320 4.348 -1.852 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.630 4.452 -3.249 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.449 3.619 -1.144 1.00 0.70 C ATOM 0 H THR A 80 -11.420 4.718 0.459 1.00 0.54 H new ATOM 0 HA THR A 80 -11.366 6.291 -1.862 1.00 0.60 H new ATOM 0 HB THR A 80 -11.400 3.779 -1.719 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.453 3.594 -3.688 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.585 2.635 -1.593 1.00 0.70 H new ATOM 0 HG22 THR A 80 -13.203 3.505 -0.088 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.370 4.193 -1.241 1.00 0.70 H new ATOM 955 N GLU A 81 -13.962 6.831 -0.089 1.00 0.65 N ATOM 956 CA GLU A 81 -15.191 7.621 0.024 1.00 0.79 C ATOM 957 C GLU A 81 -15.074 8.931 -0.759 1.00 0.85 C ATOM 958 O GLU A 81 -15.861 9.218 -1.656 1.00 0.98 O ATOM 959 CB GLU A 81 -15.486 7.932 1.490 1.00 0.91 C ATOM 960 CG GLU A 81 -15.531 6.701 2.383 1.00 1.54 C ATOM 961 CD GLU A 81 -16.516 5.650 1.901 1.00 1.82 C ATOM 962 OE1 GLU A 81 -16.119 4.790 1.091 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.688 5.672 2.338 1.00 2.27 O ATOM 0 H GLU A 81 -13.581 6.521 0.805 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.007 7.033 -0.396 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.725 8.615 1.867 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.442 8.452 1.556 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -14.535 6.260 2.435 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -15.798 7.004 3.395 1.00 1.54 H new ATOM 970 N ASN A 82 -14.047 9.707 -0.393 1.00 0.82 N ATOM 971 CA ASN A 82 -13.805 11.044 -0.941 1.00 0.90 C ATOM 972 C ASN A 82 -13.538 10.964 -2.435 1.00 0.94 C ATOM 973 O ASN A 82 -13.872 11.862 -3.209 1.00 1.09 O ATOM 974 CB ASN A 82 -12.593 11.677 -0.250 1.00 0.93 C ATOM 975 CG ASN A 82 -12.640 11.549 1.258 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.156 10.566 1.818 1.00 2.41 O ATOM 977 ND2 ASN A 82 -13.236 12.528 1.918 1.00 2.40 N ATOM 0 H ASN A 82 -13.355 9.420 0.299 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.691 11.654 -0.766 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -11.683 11.206 -0.621 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.538 12.732 -0.518 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -13.309 12.487 2.935 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.623 13.324 1.410 1.00 2.40 H new ATOM 984 N PHE A 83 -12.901 9.850 -2.793 1.00 0.85 N ATOM 985 CA PHE A 83 -12.470 9.551 -4.155 1.00 0.89 C ATOM 986 C PHE A 83 -13.679 9.491 -5.077 1.00 1.02 C ATOM 987 O PHE A 83 -13.600 9.833 -6.256 1.00 1.17 O ATOM 988 CB PHE A 83 -11.744 8.195 -4.130 1.00 0.81 C ATOM 989 CG PHE A 83 -10.997 7.816 -5.384 1.00 0.86 C ATOM 990 CD1 PHE A 83 -11.689 7.442 -6.527 1.00 1.20 C ATOM 991 CD2 PHE A 83 -9.612 7.871 -5.437 1.00 0.97 C ATOM 992 CE1 PHE A 83 -11.017 7.123 -7.689 1.00 1.33 C ATOM 993 CE2 PHE A 83 -8.936 7.556 -6.599 1.00 1.06 C ATOM 994 CZ PHE A 83 -9.599 7.053 -7.664 1.00 1.13 C ATOM 0 H PHE A 83 -12.665 9.114 -2.127 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.801 10.327 -4.527 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.038 8.200 -3.299 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.478 7.417 -3.920 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -12.768 7.400 -6.507 1.00 1.20 H new ATOM 0 HD2 PHE A 83 -9.056 8.164 -4.559 1.00 0.97 H new ATOM 0 HE1 PHE A 83 -11.560 6.930 -8.602 1.00 1.33 H new ATOM 0 HE2 PHE A 83 -7.869 7.713 -6.657 1.00 1.06 H new ATOM 0 HZ PHE A 83 -9.058 6.604 -8.484 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.793 9.053 -4.501 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.017 8.785 -5.236 1.00 1.14 C ATOM 1006 C GLU A 84 -17.052 9.882 -4.998 1.00 1.24 C ATOM 1007 O GLU A 84 -18.069 9.965 -5.690 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.551 7.426 -4.781 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.614 6.276 -5.130 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.018 4.954 -4.503 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -17.134 4.466 -4.787 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -15.208 4.382 -3.747 1.00 2.19 O ATOM 0 H GLU A 84 -14.869 8.873 -3.500 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.811 8.769 -6.306 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.709 7.445 -3.703 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.523 7.250 -5.242 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.582 6.160 -6.213 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -14.605 6.529 -4.806 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.759 10.720 -4.004 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.672 11.766 -3.540 1.00 1.34 C ATOM 1021 C ASP A 85 -17.385 13.097 -4.214 1.00 1.45 C ATOM 1022 O ASP A 85 -18.232 13.651 -4.905 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.550 11.913 -2.024 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.392 13.041 -1.468 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.632 12.911 -1.443 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -17.808 14.060 -1.034 1.00 1.81 O ATOM 0 H ASP A 85 -15.876 10.693 -3.494 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.688 11.473 -3.804 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.847 10.978 -1.549 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.505 12.085 -1.764 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.190 13.623 -3.991 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.815 14.892 -4.585 1.00 1.50 C ATOM 1033 C VAL A 86 -15.132 14.662 -5.925 1.00 1.26 C ATOM 1034 O VAL A 86 -15.229 15.480 -6.841 1.00 1.87 O ATOM 1035 CB VAL A 86 -14.894 15.712 -3.655 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -14.476 17.019 -4.308 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -15.585 15.989 -2.331 1.00 2.64 C ATOM 0 H VAL A 86 -15.471 13.194 -3.408 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.728 15.467 -4.737 1.00 1.50 H new ATOM 0 HB VAL A 86 -13.997 15.121 -3.470 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -13.828 17.574 -3.629 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -13.938 16.808 -5.232 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -15.362 17.614 -4.532 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.921 16.568 -1.688 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -16.500 16.553 -2.509 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.830 15.045 -1.844 1.00 2.64 H new ATOM 1047 N GLY A 87 -14.457 13.530 -6.033 1.00 1.38 N ATOM 1048 CA GLY A 87 -13.809 13.169 -7.276 1.00 1.82 C ATOM 1049 C GLY A 87 -12.304 13.117 -7.157 1.00 1.46 C ATOM 1050 O GLY A 87 -11.704 13.885 -6.405 1.00 2.23 O ATOM 0 H GLY A 87 -14.346 12.852 -5.279 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -14.177 12.197 -7.603 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -14.083 13.890 -8.046 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.699 12.203 -7.898 1.00 1.05 N ATOM 1055 CA HIS A 88 -10.254 12.065 -7.931 1.00 0.81 C ATOM 1056 C HIS A 88 -9.837 11.734 -9.366 1.00 0.89 C ATOM 1057 O HIS A 88 -10.030 10.603 -9.828 1.00 1.32 O ATOM 1058 CB HIS A 88 -9.806 10.971 -6.950 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.561 11.275 -6.177 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.487 10.400 -6.075 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -8.245 12.353 -5.403 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -6.579 10.952 -5.261 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.999 12.120 -4.850 1.00 0.48 N ATOM 0 H HIS A 88 -12.195 11.538 -8.492 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.774 12.994 -7.623 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -10.616 10.785 -6.244 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -9.651 10.047 -7.508 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -7.405 9.495 -6.539 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -8.857 13.230 -5.250 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -5.638 10.499 -4.985 1.00 0.98 H new ATOM 1071 N SER A 89 -9.298 12.702 -10.083 1.00 0.81 N ATOM 1072 CA SER A 89 -9.136 12.565 -11.522 1.00 1.00 C ATOM 1073 C SER A 89 -7.986 11.633 -11.928 1.00 1.00 C ATOM 1074 O SER A 89 -7.257 11.117 -11.071 1.00 1.43 O ATOM 1075 CB SER A 89 -8.988 13.946 -12.148 1.00 1.22 C ATOM 1076 OG SER A 89 -8.261 14.806 -11.291 1.00 1.06 O ATOM 0 H SER A 89 -8.966 13.586 -9.698 1.00 0.81 H new ATOM 0 HA SER A 89 -10.035 12.084 -11.906 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.478 13.863 -13.108 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.973 14.369 -12.346 1.00 1.22 H new ATOM 0 HG SER A 89 -8.174 15.688 -11.710 1.00 1.06 H new ATOM 1082 N THR A 90 -7.854 11.409 -13.228 1.00 1.14 N ATOM 1083 CA THR A 90 -6.921 10.430 -13.780 1.00 1.15 C ATOM 1084 C THR A 90 -5.485 10.625 -13.285 1.00 1.15 C ATOM 1085 O THR A 90 -4.812 9.656 -12.938 1.00 1.72 O ATOM 1086 CB THR A 90 -6.947 10.515 -15.307 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.987 11.424 -15.706 1.00 1.45 O ATOM 1088 CG2 THR A 90 -7.193 9.147 -15.921 1.00 1.49 C ATOM 0 H THR A 90 -8.395 11.904 -13.937 1.00 1.14 H new ATOM 0 HA THR A 90 -7.246 9.447 -13.438 1.00 1.15 H new ATOM 0 HB THR A 90 -5.981 10.875 -15.660 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.861 11.009 -15.552 1.00 1.45 H new ATOM 0 HG21 THR A 90 -7.207 9.233 -17.008 1.00 1.49 H new ATOM 0 HG22 THR A 90 -6.397 8.465 -15.621 1.00 1.49 H new ATOM 0 HG23 THR A 90 -8.151 8.760 -15.575 1.00 1.49 H new ATOM 1096 N ASP A 91 -5.040 11.877 -13.239 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.658 12.209 -12.868 1.00 0.97 C ATOM 1098 C ASP A 91 -3.210 11.454 -11.617 1.00 0.89 C ATOM 1099 O ASP A 91 -2.167 10.801 -11.606 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.543 13.713 -12.637 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.143 14.139 -12.246 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -1.811 14.067 -11.046 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -1.365 14.531 -13.140 1.00 1.90 O ATOM 0 H ASP A 91 -5.618 12.689 -13.455 1.00 0.95 H new ATOM 0 HA ASP A 91 -3.005 11.906 -13.686 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.838 14.239 -13.545 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -4.241 14.011 -11.854 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.051 11.502 -10.588 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.711 10.965 -9.272 1.00 0.90 C ATOM 1110 C ALA A 92 -3.708 9.441 -9.257 1.00 0.82 C ATOM 1111 O ALA A 92 -3.569 8.820 -8.207 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.685 11.498 -8.233 1.00 0.97 C ATOM 0 H ALA A 92 -4.983 11.912 -10.641 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.700 11.292 -9.031 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.428 11.095 -7.253 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.627 12.586 -8.205 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.699 11.195 -8.495 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.884 8.842 -10.422 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.846 7.392 -10.558 1.00 0.73 C ATOM 1120 C ARG A 93 -2.523 6.965 -11.198 1.00 0.69 C ATOM 1121 O ARG A 93 -2.163 5.788 -11.226 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.028 6.952 -11.417 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.358 7.474 -10.900 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.473 7.254 -11.903 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.684 7.986 -11.523 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.848 7.878 -12.152 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -9.972 7.054 -13.187 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.895 8.594 -11.742 1.00 4.15 N ATOM 0 H ARG A 93 -4.056 9.340 -11.295 1.00 0.75 H new ATOM 0 HA ARG A 93 -3.916 6.920 -9.578 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.878 7.301 -12.439 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.060 5.863 -11.453 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.606 6.974 -9.964 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.271 8.538 -10.680 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.145 7.577 -12.891 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -7.696 6.189 -11.974 1.00 1.70 H new ATOM 0 HE ARG A 93 -8.629 8.619 -10.725 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -9.172 6.503 -13.499 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -10.867 6.972 -13.669 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -10.801 9.224 -10.946 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.790 8.512 -12.225 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.813 7.952 -11.720 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.571 7.738 -12.448 1.00 0.60 C ATOM 1144 C GLU A 94 0.568 8.444 -11.713 1.00 0.58 C ATOM 1145 O GLU A 94 1.744 8.141 -11.889 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.749 8.294 -13.863 1.00 0.68 C ATOM 1147 CG GLU A 94 0.185 7.687 -14.890 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.170 8.105 -16.303 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -1.077 7.482 -16.898 1.00 2.11 O ATOM 1150 OE2 GLU A 94 0.454 9.052 -16.827 1.00 1.62 O ATOM 0 H GLU A 94 -2.084 8.933 -11.650 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.326 6.678 -12.510 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.778 8.127 -14.180 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.594 9.373 -13.840 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.209 7.988 -14.670 1.00 1.19 H new ATOM 0 HG3 GLU A 94 0.149 6.600 -14.814 1.00 1.19 H new ATOM 1157 N MET A 95 0.161 9.407 -10.894 1.00 0.48 N ATOM 1158 CA MET A 95 1.054 10.213 -10.067 1.00 0.49 C ATOM 1159 C MET A 95 1.333 9.527 -8.730 1.00 0.42 C ATOM 1160 O MET A 95 2.385 9.708 -8.124 1.00 0.50 O ATOM 1161 CB MET A 95 0.373 11.569 -9.840 1.00 0.53 C ATOM 1162 CG MET A 95 1.095 12.526 -8.902 1.00 0.65 C ATOM 1163 SD MET A 95 2.672 13.130 -9.533 1.00 1.09 S ATOM 1164 CE MET A 95 3.100 14.308 -8.243 1.00 1.75 C ATOM 0 H MET A 95 -0.822 9.656 -10.783 1.00 0.48 H new ATOM 0 HA MET A 95 2.013 10.342 -10.568 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.252 12.059 -10.806 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.627 11.390 -9.446 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.446 13.379 -8.701 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.266 12.024 -7.950 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.056 14.775 -8.480 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.327 15.074 -8.179 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.176 13.789 -7.287 1.00 1.75 H new ATOM 1174 N SER A 96 0.377 8.706 -8.288 1.00 0.34 N ATOM 1175 CA SER A 96 0.363 8.233 -6.908 1.00 0.31 C ATOM 1176 C SER A 96 1.310 7.035 -6.723 1.00 0.31 C ATOM 1177 O SER A 96 1.519 6.555 -5.608 1.00 0.33 O ATOM 1178 CB SER A 96 -1.088 7.917 -6.485 1.00 0.36 C ATOM 1179 OG SER A 96 -1.709 6.997 -7.363 1.00 1.13 O ATOM 0 H SER A 96 -0.391 8.359 -8.863 1.00 0.34 H new ATOM 0 HA SER A 96 0.737 9.018 -6.251 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.090 7.511 -5.474 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.667 8.840 -6.459 1.00 0.36 H new ATOM 0 HG SER A 96 -2.459 7.434 -7.818 1.00 1.13 H new ATOM 1185 N LYS A 97 1.884 6.605 -7.857 1.00 0.36 N ATOM 1186 CA LYS A 97 2.574 5.305 -8.029 1.00 0.43 C ATOM 1187 C LYS A 97 3.729 5.095 -7.070 1.00 0.41 C ATOM 1188 O LYS A 97 4.058 3.956 -6.724 1.00 0.48 O ATOM 1189 CB LYS A 97 3.124 5.228 -9.452 1.00 0.56 C ATOM 1190 CG LYS A 97 2.057 5.261 -10.526 1.00 0.83 C ATOM 1191 CD LYS A 97 1.367 3.919 -10.693 1.00 1.15 C ATOM 1192 CE LYS A 97 2.240 2.938 -11.453 1.00 1.56 C ATOM 1193 NZ LYS A 97 1.562 1.632 -11.651 1.00 2.15 N ATOM 0 H LYS A 97 1.884 7.165 -8.709 1.00 0.36 H new ATOM 0 HA LYS A 97 1.835 4.530 -7.823 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.811 6.059 -9.611 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.704 4.311 -9.558 1.00 0.56 H new ATOM 0 HG2 LYS A 97 1.316 6.020 -10.275 1.00 0.83 H new ATOM 0 HG3 LYS A 97 2.507 5.556 -11.474 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.124 3.509 -9.713 1.00 1.15 H new ATOM 0 HD3 LYS A 97 0.425 4.056 -11.223 1.00 1.15 H new ATOM 0 HE2 LYS A 97 2.503 3.361 -12.422 1.00 1.56 H new ATOM 0 HE3 LYS A 97 3.172 2.784 -10.909 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 2.191 0.990 -12.174 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 1.334 1.216 -10.726 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 0.685 1.774 -12.192 1.00 2.15 H new ATOM 1207 N THR A 98 4.365 6.189 -6.700 1.00 0.40 N ATOM 1208 CA THR A 98 5.574 6.162 -5.903 1.00 0.46 C ATOM 1209 C THR A 98 5.251 6.292 -4.419 1.00 0.41 C ATOM 1210 O THR A 98 6.154 6.373 -3.587 1.00 0.48 O ATOM 1211 CB THR A 98 6.505 7.320 -6.308 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.730 8.516 -6.440 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.239 7.053 -7.616 1.00 1.15 C ATOM 0 H THR A 98 4.054 7.129 -6.946 1.00 0.40 H new ATOM 0 HA THR A 98 6.067 5.207 -6.082 1.00 0.46 H new ATOM 0 HB THR A 98 7.259 7.424 -5.527 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.316 9.259 -6.696 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.881 7.902 -7.853 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.848 6.155 -7.515 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.514 6.911 -8.418 1.00 1.15 H new ATOM 1221 N PHE A 99 3.962 6.348 -4.094 1.00 0.32 N ATOM 1222 CA PHE A 99 3.533 6.450 -2.702 1.00 0.32 C ATOM 1223 C PHE A 99 3.029 5.105 -2.205 1.00 0.30 C ATOM 1224 O PHE A 99 2.815 4.909 -1.008 1.00 0.31 O ATOM 1225 CB PHE A 99 2.450 7.525 -2.543 1.00 0.34 C ATOM 1226 CG PHE A 99 2.886 8.859 -3.074 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.870 9.574 -2.419 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.340 9.385 -4.236 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.311 10.786 -2.908 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.774 10.603 -4.729 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.762 11.303 -4.065 1.00 0.47 C ATOM 0 H PHE A 99 3.200 6.325 -4.772 1.00 0.32 H new ATOM 0 HA PHE A 99 4.392 6.743 -2.098 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.547 7.207 -3.064 1.00 0.34 H new ATOM 0 HB3 PHE A 99 2.192 7.623 -1.489 1.00 0.34 H new ATOM 0 HD1 PHE A 99 4.300 9.178 -1.511 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.570 8.839 -4.760 1.00 0.77 H new ATOM 0 HE1 PHE A 99 5.085 11.330 -2.387 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.340 11.006 -5.632 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.104 12.252 -4.450 1.00 0.47 H new ATOM 1241 N ILE A 100 2.846 4.180 -3.141 1.00 0.32 N ATOM 1242 CA ILE A 100 2.316 2.863 -2.830 1.00 0.32 C ATOM 1243 C ILE A 100 3.385 2.002 -2.173 1.00 0.34 C ATOM 1244 O ILE A 100 4.295 1.511 -2.847 1.00 0.43 O ATOM 1245 CB ILE A 100 1.817 2.142 -4.094 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.772 3.000 -4.801 1.00 0.32 C ATOM 1247 CG2 ILE A 100 1.245 0.778 -3.727 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.240 2.403 -6.086 1.00 0.38 C ATOM 0 H ILE A 100 3.060 4.323 -4.128 1.00 0.32 H new ATOM 0 HA ILE A 100 1.478 3.008 -2.148 1.00 0.32 H new ATOM 0 HB ILE A 100 2.654 1.987 -4.775 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.062 3.170 -4.120 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.208 3.975 -5.020 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.895 0.276 -4.629 1.00 0.42 H new ATOM 0 HG22 ILE A 100 2.019 0.174 -3.253 1.00 0.42 H new ATOM 0 HG23 ILE A 100 0.412 0.907 -3.036 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.497 3.077 -6.523 1.00 0.38 H new ATOM 0 HD12 ILE A 100 1.061 2.259 -6.788 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.228 1.442 -5.874 1.00 0.38 H new ATOM 1260 N ILE A 101 3.273 1.806 -0.869 1.00 0.32 N ATOM 1261 CA ILE A 101 4.284 1.066 -0.127 1.00 0.35 C ATOM 1262 C ILE A 101 4.012 -0.435 -0.161 1.00 0.36 C ATOM 1263 O ILE A 101 4.902 -1.242 0.114 1.00 0.43 O ATOM 1264 CB ILE A 101 4.388 1.546 1.337 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.002 1.613 1.988 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.079 2.903 1.399 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.038 1.985 3.457 1.00 0.38 C ATOM 0 H ILE A 101 2.496 2.147 -0.303 1.00 0.32 H new ATOM 0 HA ILE A 101 5.237 1.261 -0.619 1.00 0.35 H new ATOM 0 HB ILE A 101 4.987 0.826 1.895 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.393 2.341 1.452 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.512 0.646 1.879 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.146 3.230 2.437 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.081 2.820 0.979 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.504 3.630 0.826 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.022 2.013 3.850 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.619 1.244 4.006 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.499 2.966 3.573 1.00 0.38 H new ATOM 1279 N GLY A 102 2.786 -0.809 -0.499 1.00 0.33 N ATOM 1280 CA GLY A 102 2.453 -2.217 -0.621 1.00 0.39 C ATOM 1281 C GLY A 102 0.958 -2.444 -0.593 1.00 0.35 C ATOM 1282 O GLY A 102 0.188 -1.581 -1.022 1.00 0.35 O ATOM 0 H GLY A 102 2.017 -0.167 -0.691 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.863 -2.608 -1.552 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.921 -2.773 0.192 1.00 0.39 H new ATOM 1286 N GLU A 103 0.538 -3.601 -0.095 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.878 -3.878 0.088 1.00 0.42 C ATOM 1288 C GLU A 103 -1.170 -4.316 1.511 1.00 0.37 C ATOM 1289 O GLU A 103 -0.291 -4.302 2.371 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.394 -4.926 -0.902 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.626 -4.353 -2.282 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.331 -5.296 -3.229 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -3.547 -5.518 -3.065 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -1.681 -5.784 -4.169 1.00 1.85 O ATOM 0 H GLU A 103 1.158 -4.360 0.188 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.407 -2.946 -0.109 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.676 -5.744 -0.967 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.326 -5.349 -0.526 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.214 -3.440 -2.191 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.665 -4.072 -2.714 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.406 -4.697 1.756 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.820 -5.099 3.085 1.00 0.42 C ATOM 1303 C LEU A 104 -2.436 -6.544 3.371 1.00 0.42 C ATOM 1304 O LEU A 104 -2.321 -7.363 2.457 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.330 -4.944 3.225 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.819 -4.206 4.475 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -4.516 -4.985 5.748 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.198 -2.825 4.538 1.00 1.33 C ATOM 0 H LEU A 104 -3.143 -4.737 1.052 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.310 -4.457 3.803 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.704 -4.417 2.347 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.779 -5.937 3.215 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.902 -4.110 4.403 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -4.879 -4.427 6.611 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -5.012 -5.955 5.708 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -3.440 -5.132 5.837 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.551 -2.308 5.430 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -3.112 -2.916 4.577 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.483 -2.257 3.652 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.226 -6.847 4.643 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.099 -8.222 5.104 1.00 0.53 C ATOM 1322 C HIS A 105 -3.347 -9.002 4.658 1.00 0.60 C ATOM 1323 O HIS A 105 -4.411 -8.408 4.468 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.968 -8.214 6.633 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.212 -9.370 7.217 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -1.789 -10.299 8.048 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.094 -9.716 7.121 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -0.876 -11.166 8.440 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.279 -10.836 7.892 1.00 2.37 N ATOM 0 H HIS A 105 -2.139 -6.150 5.383 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.216 -8.702 4.681 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.475 -7.290 6.934 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.968 -8.198 7.067 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.850 -9.205 6.544 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -1.045 -12.005 9.099 1.00 2.41 H new ATOM 0 HE2 HIS A 105 1.162 -11.331 8.020 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.233 -10.326 4.462 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.342 -11.185 3.978 1.00 1.00 C ATOM 1340 C PRO A 106 -5.613 -11.176 4.849 1.00 1.18 C ATOM 1341 O PRO A 106 -6.506 -11.993 4.657 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.720 -12.587 3.991 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.262 -12.352 3.862 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.995 -11.105 4.645 1.00 0.79 C ATOM 0 HA PRO A 106 -4.695 -10.831 3.010 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.956 -13.116 4.914 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.097 -13.196 3.169 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.691 -13.193 4.255 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.973 -12.231 2.818 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.806 -11.322 5.696 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.123 -10.571 4.268 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.683 -10.235 5.779 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.776 -10.153 6.747 1.00 1.47 C ATOM 1354 C ASP A 107 -7.910 -9.327 6.178 1.00 1.22 C ATOM 1355 O ASP A 107 -9.018 -9.316 6.713 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.301 -9.479 8.040 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.903 -9.882 8.436 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -4.633 -11.091 8.554 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -4.057 -8.987 8.621 1.00 3.31 O ATOM 0 H ASP A 107 -4.982 -9.502 5.887 1.00 1.16 H new ATOM 0 HA ASP A 107 -7.113 -11.168 6.960 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.339 -8.397 7.914 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.988 -9.731 8.848 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.595 -8.610 5.106 1.00 0.95 N ATOM 1365 CA ASP A 108 -8.512 -7.645 4.513 1.00 1.11 C ATOM 1366 C ASP A 108 -8.429 -7.700 2.994 1.00 1.14 C ATOM 1367 O ASP A 108 -9.425 -7.677 2.284 1.00 1.53 O ATOM 1368 CB ASP A 108 -8.166 -6.239 5.018 1.00 1.39 C ATOM 1369 CG ASP A 108 -9.107 -5.178 4.480 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -10.188 -4.986 5.067 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -8.762 -4.543 3.461 1.00 3.44 O ATOM 0 H ASP A 108 -6.699 -8.681 4.624 1.00 0.95 H new ATOM 0 HA ASP A 108 -9.533 -7.890 4.807 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -8.199 -6.230 6.107 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -7.144 -5.994 4.728 1.00 1.39 H new ATOM 1376 N ARG A 109 -7.174 -7.742 2.533 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.803 -7.671 1.120 1.00 1.18 C ATOM 1378 C ARG A 109 -7.509 -8.693 0.230 1.00 1.48 C ATOM 1379 O ARG A 109 -7.866 -8.347 -0.894 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.291 -7.852 0.981 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.681 -7.136 -0.213 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.257 -8.111 -1.298 1.00 1.73 C ATOM 1383 NE ARG A 109 -5.382 -8.557 -2.117 1.00 2.25 N ATOM 1384 CZ ARG A 109 -5.324 -8.700 -3.437 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -4.216 -8.370 -4.091 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -6.383 -9.137 -4.105 1.00 3.35 N ATOM 0 H ARG A 109 -6.368 -7.829 3.152 1.00 0.99 H new ATOM 0 HA ARG A 109 -7.124 -6.688 0.776 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.809 -7.492 1.890 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.070 -8.917 0.903 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.403 -6.429 -0.621 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.817 -6.556 0.113 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.511 -7.638 -1.937 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -3.780 -8.977 -0.839 1.00 1.73 H new ATOM 0 HE ARG A 109 -6.262 -8.771 -1.649 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -3.411 -8.007 -3.580 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -4.170 -8.479 -5.104 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -7.243 -9.364 -3.606 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -6.337 -9.246 -5.118 1.00 3.35 H new