USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 686 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 Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 17 ASN : amide:sc= 0.19 K(o=0.19,f=-4.5!) USER MOD Single : A 18 GLN : amide:sc= 0.202 X(o=0.2,f=-0.021) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -39:sc= -0.15! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 35 SER OG : rot 34:sc= 0.202 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0549 (180deg=-0.203) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00899 USER MOD Single : A 52 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= -0.395 (180deg=-1.86) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.3!) USER MOD Single : A 65 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.73) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 85:sc= 0.412 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0031 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 41:sc= 0.781 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -140:sc= 1.09 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -9.836 30.805 2.573 1.00 0.00 N ATOM 81 CA PRO A 9 -9.012 29.642 2.229 1.00 0.00 C ATOM 82 C PRO A 9 -9.344 29.084 0.850 1.00 0.00 C ATOM 83 O PRO A 9 -10.512 28.894 0.511 1.00 0.00 O ATOM 84 CB PRO A 9 -9.363 28.624 3.317 1.00 0.00 C ATOM 85 CG PRO A 9 -10.730 29.008 3.768 1.00 0.00 C ATOM 86 CD PRO A 9 -10.802 30.505 3.643 1.00 0.00 C ATOM 0 HA PRO A 9 -7.952 29.892 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.346 27.606 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.649 28.662 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.493 28.528 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.904 28.693 4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.806 30.839 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.534 31.000 4.577 1.00 0.00 H new ATOM 94 N VAL A 10 -8.310 28.823 0.057 1.00 0.00 N ATOM 95 CA VAL A 10 -8.492 28.284 -1.286 1.00 0.00 C ATOM 96 C VAL A 10 -7.518 27.143 -1.557 1.00 0.00 C ATOM 97 O VAL A 10 -6.305 27.347 -1.604 1.00 0.00 O ATOM 98 CB VAL A 10 -8.301 29.374 -2.358 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.842 29.795 -2.437 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.797 28.883 -3.710 1.00 0.00 C ATOM 0 H VAL A 10 -7.337 28.976 0.321 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.513 27.906 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.891 30.246 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.726 30.565 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.524 30.189 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.228 28.933 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.655 29.665 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.236 27.996 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.856 28.636 -3.641 1.00 0.00 H new ATOM 110 N ILE A 11 -8.058 25.942 -1.736 1.00 0.00 N ATOM 111 CA ILE A 11 -7.237 24.768 -2.005 1.00 0.00 C ATOM 112 C ILE A 11 -6.737 24.766 -3.445 1.00 0.00 C ATOM 113 O ILE A 11 -7.465 24.391 -4.365 1.00 0.00 O ATOM 114 CB ILE A 11 -8.014 23.465 -1.741 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.449 23.393 -0.275 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.164 22.258 -2.106 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.706 22.581 -0.058 1.00 0.00 C ATOM 0 H ILE A 11 -9.060 25.757 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.385 24.816 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.907 23.459 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.641 22.961 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.610 24.404 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.727 21.345 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.899 22.305 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.255 22.257 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.955 22.573 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.527 23.025 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.543 21.559 -0.400 1.00 0.00 H new ATOM 129 N ARG A 12 -5.490 25.184 -3.634 1.00 0.00 N ATOM 130 CA ARG A 12 -4.891 25.229 -4.962 1.00 0.00 C ATOM 131 C ARG A 12 -4.605 23.822 -5.478 1.00 0.00 C ATOM 132 O ARG A 12 -4.807 23.530 -6.656 1.00 0.00 O ATOM 133 CB ARG A 12 -3.598 26.046 -4.935 1.00 0.00 C ATOM 134 CG ARG A 12 -3.800 27.492 -4.510 1.00 0.00 C ATOM 135 CD ARG A 12 -4.277 28.352 -5.670 1.00 0.00 C ATOM 136 NE ARG A 12 -3.263 28.474 -6.714 1.00 0.00 N ATOM 137 CZ ARG A 12 -3.376 29.289 -7.757 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.453 30.051 -7.893 1.00 0.00 N ATOM 139 NH2 ARG A 12 -2.411 29.345 -8.665 1.00 0.00 N ATOM 0 H ARG A 12 -4.874 25.497 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.601 25.708 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.892 25.571 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.146 26.027 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.528 27.536 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.864 27.892 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.183 27.919 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.540 29.344 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.422 27.902 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.197 30.012 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.538 30.676 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.580 28.762 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.499 29.971 -9.465 1.00 0.00 H new ATOM 153 N GLN A 13 -4.134 22.955 -4.587 1.00 0.00 N ATOM 154 CA GLN A 13 -3.820 21.579 -4.953 1.00 0.00 C ATOM 155 C GLN A 13 -3.967 20.649 -3.753 1.00 0.00 C ATOM 156 O GLN A 13 -3.679 21.032 -2.620 1.00 0.00 O ATOM 157 CB GLN A 13 -2.398 21.490 -5.512 1.00 0.00 C ATOM 158 CG GLN A 13 -1.990 20.082 -5.915 1.00 0.00 C ATOM 159 CD GLN A 13 -0.874 20.069 -6.940 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.086 21.012 -7.029 1.00 0.00 O ATOM 161 NE2 GLN A 13 -0.800 18.998 -7.722 1.00 0.00 N ATOM 0 H GLN A 13 -3.962 23.181 -3.607 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.526 21.264 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.316 22.145 -6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.698 21.862 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.671 19.533 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.856 19.559 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.474 18.240 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.069 18.934 -8.431 1.00 0.00 H new ATOM 170 N GLY A 14 -4.417 19.425 -4.011 1.00 0.00 N ATOM 171 CA GLY A 14 -4.595 18.460 -2.942 1.00 0.00 C ATOM 172 C GLY A 14 -4.452 17.030 -3.422 1.00 0.00 C ATOM 173 O GLY A 14 -3.841 16.757 -4.456 1.00 0.00 O ATOM 0 H GLY A 14 -4.661 19.085 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.862 18.652 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.581 18.594 -2.497 1.00 0.00 H new ATOM 177 N PRO A 15 -5.025 16.085 -2.661 1.00 0.00 N ATOM 178 CA PRO A 15 -4.971 14.659 -2.995 1.00 0.00 C ATOM 179 C PRO A 15 -5.811 14.318 -4.221 1.00 0.00 C ATOM 180 O PRO A 15 -6.885 14.884 -4.426 1.00 0.00 O ATOM 181 CB PRO A 15 -5.545 13.981 -1.748 1.00 0.00 C ATOM 182 CG PRO A 15 -6.420 15.014 -1.124 1.00 0.00 C ATOM 183 CD PRO A 15 -5.770 16.338 -1.416 1.00 0.00 C ATOM 0 HA PRO A 15 -3.960 14.337 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.112 13.087 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.753 13.669 -1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.427 14.974 -1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.510 14.852 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.509 17.129 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.108 16.648 -0.607 1.00 0.00 H new ATOM 191 N VAL A 16 -5.315 13.391 -5.034 1.00 0.00 N ATOM 192 CA VAL A 16 -6.021 12.974 -6.239 1.00 0.00 C ATOM 193 C VAL A 16 -6.252 11.467 -6.247 1.00 0.00 C ATOM 194 O VAL A 16 -5.417 10.698 -5.773 1.00 0.00 O ATOM 195 CB VAL A 16 -5.245 13.369 -7.509 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.026 14.874 -7.554 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.918 12.627 -7.576 1.00 0.00 C ATOM 0 H VAL A 16 -4.426 12.914 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.983 13.487 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.838 13.085 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.476 15.135 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.990 15.382 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.454 15.185 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.383 12.919 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.317 12.877 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.102 11.553 -7.594 1.00 0.00 H new ATOM 207 N ASN A 17 -7.392 11.052 -6.790 1.00 0.00 N ATOM 208 CA ASN A 17 -7.734 9.636 -6.860 1.00 0.00 C ATOM 209 C ASN A 17 -6.573 8.823 -7.425 1.00 0.00 C ATOM 210 O ASN A 17 -6.140 9.045 -8.555 1.00 0.00 O ATOM 211 CB ASN A 17 -8.981 9.433 -7.723 1.00 0.00 C ATOM 212 CG ASN A 17 -10.054 10.467 -7.441 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.818 11.670 -7.559 1.00 0.00 O ATOM 214 ND2 ASN A 17 -11.240 10.003 -7.066 1.00 0.00 N ATOM 0 H ASN A 17 -8.094 11.676 -7.188 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.940 9.287 -5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.703 9.480 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.385 8.436 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.000 10.652 -6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.391 8.998 -6.981 1.00 0.00 H new ATOM 221 N GLN A 18 -6.075 7.881 -6.631 1.00 0.00 N ATOM 222 CA GLN A 18 -4.965 7.035 -7.052 1.00 0.00 C ATOM 223 C GLN A 18 -5.179 5.593 -6.605 1.00 0.00 C ATOM 224 O GLN A 18 -5.758 5.338 -5.549 1.00 0.00 O ATOM 225 CB GLN A 18 -3.647 7.567 -6.485 1.00 0.00 C ATOM 226 CG GLN A 18 -3.681 7.800 -4.983 1.00 0.00 C ATOM 227 CD GLN A 18 -2.458 8.540 -4.479 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.328 8.222 -4.853 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.676 9.534 -3.627 1.00 0.00 N ATOM 0 H GLN A 18 -6.423 7.684 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.919 7.055 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.850 6.861 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.398 8.504 -6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.575 8.368 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.756 6.840 -4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.629 9.763 -3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.891 10.068 -3.255 1.00 0.00 H new ATOM 238 N THR A 19 -4.708 4.651 -7.417 1.00 0.00 N ATOM 239 CA THR A 19 -4.849 3.234 -7.107 1.00 0.00 C ATOM 240 C THR A 19 -3.616 2.704 -6.384 1.00 0.00 C ATOM 241 O THR A 19 -2.484 3.009 -6.761 1.00 0.00 O ATOM 242 CB THR A 19 -5.081 2.400 -8.381 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.134 2.979 -9.160 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.435 0.963 -8.030 1.00 0.00 C ATOM 0 H THR A 19 -4.225 4.845 -8.295 1.00 0.00 H new ATOM 0 HA THR A 19 -5.718 3.138 -6.456 1.00 0.00 H new ATOM 0 HB THR A 19 -4.158 2.399 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.274 2.444 -9.969 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.594 0.393 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.619 0.516 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.345 0.949 -7.431 1.00 0.00 H new ATOM 252 N VAL A 20 -3.841 1.908 -5.344 1.00 0.00 N ATOM 253 CA VAL A 20 -2.748 1.334 -4.569 1.00 0.00 C ATOM 254 C VAL A 20 -2.984 -0.148 -4.300 1.00 0.00 C ATOM 255 O VAL A 20 -4.125 -0.603 -4.233 1.00 0.00 O ATOM 256 CB VAL A 20 -2.566 2.066 -3.226 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.713 1.238 -2.278 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.952 3.440 -3.447 1.00 0.00 C ATOM 0 H VAL A 20 -4.771 1.646 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.842 1.453 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.547 2.201 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.595 1.771 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.198 0.279 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.733 1.069 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.831 3.943 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.979 3.331 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.606 4.032 -4.087 1.00 0.00 H new ATOM 268 N ALA A 21 -1.897 -0.897 -4.146 1.00 0.00 N ATOM 269 CA ALA A 21 -1.985 -2.327 -3.882 1.00 0.00 C ATOM 270 C ALA A 21 -2.054 -2.605 -2.384 1.00 0.00 C ATOM 271 O ALA A 21 -1.618 -1.791 -1.570 1.00 0.00 O ATOM 272 CB ALA A 21 -0.800 -3.053 -4.501 1.00 0.00 C ATOM 0 H ALA A 21 -0.944 -0.536 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.903 -2.699 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.880 -4.120 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.796 -2.890 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.126 -2.669 -4.073 1.00 0.00 H new ATOM 278 N VAL A 22 -2.605 -3.761 -2.026 1.00 0.00 N ATOM 279 CA VAL A 22 -2.731 -4.146 -0.626 1.00 0.00 C ATOM 280 C VAL A 22 -1.400 -4.005 0.105 1.00 0.00 C ATOM 281 O VAL A 22 -0.334 -4.127 -0.498 1.00 0.00 O ATOM 282 CB VAL A 22 -3.230 -5.597 -0.485 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.953 -6.124 0.914 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.713 -5.684 -0.813 1.00 0.00 C ATOM 0 H VAL A 22 -2.971 -4.447 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.462 -3.473 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.687 -6.220 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.312 -7.150 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.880 -6.099 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.467 -5.501 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.049 -6.716 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.275 -5.048 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.879 -5.350 -1.837 1.00 0.00 H new ATOM 294 N ASP A 23 -1.471 -3.748 1.406 1.00 0.00 N ATOM 295 CA ASP A 23 -0.271 -3.591 2.221 1.00 0.00 C ATOM 296 C ASP A 23 0.729 -2.660 1.542 1.00 0.00 C ATOM 297 O ASP A 23 1.933 -2.750 1.776 1.00 0.00 O ATOM 298 CB ASP A 23 0.376 -4.953 2.480 1.00 0.00 C ATOM 299 CG ASP A 23 1.155 -4.985 3.781 1.00 0.00 C ATOM 300 OD1 ASP A 23 0.541 -5.259 4.833 1.00 0.00 O ATOM 301 OD2 ASP A 23 2.378 -4.735 3.746 1.00 0.00 O ATOM 0 H ASP A 23 -2.346 -3.644 1.919 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.563 -3.149 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.397 -5.721 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.043 -5.198 1.654 1.00 0.00 H new ATOM 306 N GLY A 24 0.220 -1.767 0.699 1.00 0.00 N ATOM 307 CA GLY A 24 1.082 -0.833 -0.002 1.00 0.00 C ATOM 308 C GLY A 24 1.326 0.437 0.789 1.00 0.00 C ATOM 309 O GLY A 24 1.603 0.387 1.988 1.00 0.00 O ATOM 0 H GLY A 24 -0.774 -1.674 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.037 -1.314 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.632 -0.579 -0.962 1.00 0.00 H new ATOM 313 N THR A 25 1.225 1.579 0.117 1.00 0.00 N ATOM 314 CA THR A 25 1.439 2.868 0.764 1.00 0.00 C ATOM 315 C THR A 25 0.912 4.010 -0.098 1.00 0.00 C ATOM 316 O THR A 25 1.439 4.281 -1.176 1.00 0.00 O ATOM 317 CB THR A 25 2.932 3.108 1.057 1.00 0.00 C ATOM 318 OG1 THR A 25 3.555 1.884 1.462 1.00 0.00 O ATOM 319 CG2 THR A 25 3.108 4.156 2.145 1.00 0.00 C ATOM 0 H THR A 25 0.996 1.638 -0.875 1.00 0.00 H new ATOM 0 HA THR A 25 0.891 2.844 1.706 1.00 0.00 H new ATOM 0 HB THR A 25 3.405 3.471 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.942 1.379 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.170 4.309 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.659 5.095 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.621 3.817 3.059 1.00 0.00 H new ATOM 327 N PHE A 26 -0.131 4.676 0.385 1.00 0.00 N ATOM 328 CA PHE A 26 -0.730 5.790 -0.341 1.00 0.00 C ATOM 329 C PHE A 26 -0.543 7.099 0.419 1.00 0.00 C ATOM 330 O PHE A 26 -0.882 7.199 1.599 1.00 0.00 O ATOM 331 CB PHE A 26 -2.220 5.531 -0.575 1.00 0.00 C ATOM 332 CG PHE A 26 -3.010 5.385 0.694 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.910 4.233 1.458 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.851 6.399 1.124 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.636 4.095 2.626 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.579 6.267 2.291 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.471 5.114 3.044 1.00 0.00 C ATOM 0 H PHE A 26 -0.579 4.464 1.276 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.227 5.875 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.636 6.352 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.334 4.625 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.258 3.434 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.938 7.303 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.551 3.192 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.232 7.064 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.038 5.009 3.957 1.00 0.00 H new ATOM 347 N VAL A 27 0.000 8.101 -0.265 1.00 0.00 N ATOM 348 CA VAL A 27 0.233 9.405 0.345 1.00 0.00 C ATOM 349 C VAL A 27 -0.807 10.421 -0.116 1.00 0.00 C ATOM 350 O VAL A 27 -1.367 10.302 -1.207 1.00 0.00 O ATOM 351 CB VAL A 27 1.639 9.939 0.010 1.00 0.00 C ATOM 352 CG1 VAL A 27 1.946 11.184 0.828 1.00 0.00 C ATOM 353 CG2 VAL A 27 2.687 8.862 0.248 1.00 0.00 C ATOM 0 H VAL A 27 0.287 8.035 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 27 0.152 9.269 1.423 1.00 0.00 H new ATOM 0 HB VAL A 27 1.664 10.212 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.943 11.547 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.211 11.957 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.904 10.941 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.674 9.255 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.664 8.557 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.475 8.001 -0.386 1.00 0.00 H new ATOM 363 N LEU A 28 -1.061 11.420 0.722 1.00 0.00 N ATOM 364 CA LEU A 28 -2.034 12.459 0.401 1.00 0.00 C ATOM 365 C LEU A 28 -1.576 13.815 0.926 1.00 0.00 C ATOM 366 O LEU A 28 -1.271 13.963 2.110 1.00 0.00 O ATOM 367 CB LEU A 28 -3.400 12.105 0.991 1.00 0.00 C ATOM 368 CG LEU A 28 -3.952 10.726 0.626 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.005 10.290 1.633 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.530 10.738 -0.782 1.00 0.00 C ATOM 0 H LEU A 28 -0.607 11.533 1.628 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.119 12.521 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.333 12.172 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.119 12.859 0.669 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.132 10.008 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.387 9.307 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.560 10.241 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.824 11.009 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.918 9.749 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.337 11.468 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.749 11.006 -1.494 1.00 0.00 H new ATOM 382 N SER A 29 -1.533 14.804 0.039 1.00 0.00 N ATOM 383 CA SER A 29 -1.111 16.149 0.413 1.00 0.00 C ATOM 384 C SER A 29 -2.210 17.165 0.119 1.00 0.00 C ATOM 385 O SER A 29 -2.839 17.128 -0.939 1.00 0.00 O ATOM 386 CB SER A 29 0.167 16.532 -0.335 1.00 0.00 C ATOM 387 OG SER A 29 0.018 16.339 -1.731 1.00 0.00 O ATOM 0 H SER A 29 -1.785 14.699 -0.944 1.00 0.00 H new ATOM 0 HA SER A 29 -0.912 16.156 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.412 17.575 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.000 15.932 0.031 1.00 0.00 H new ATOM 0 HG SER A 29 0.848 16.593 -2.187 1.00 0.00 H new ATOM 393 N CYS A 30 -2.437 18.072 1.063 1.00 0.00 N ATOM 394 CA CYS A 30 -3.460 19.099 0.908 1.00 0.00 C ATOM 395 C CYS A 30 -2.851 20.494 1.017 1.00 0.00 C ATOM 396 O CYS A 30 -2.243 20.841 2.029 1.00 0.00 O ATOM 397 CB CYS A 30 -4.552 18.924 1.965 1.00 0.00 C ATOM 398 SG CYS A 30 -6.011 19.984 1.708 1.00 0.00 S ATOM 0 H CYS A 30 -1.926 18.117 1.944 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.901 18.990 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.870 17.882 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.130 19.137 2.947 1.00 0.00 H new ATOM 403 N VAL A 31 -3.019 21.290 -0.034 1.00 0.00 N ATOM 404 CA VAL A 31 -2.488 22.648 -0.057 1.00 0.00 C ATOM 405 C VAL A 31 -3.610 23.678 0.005 1.00 0.00 C ATOM 406 O VAL A 31 -4.593 23.586 -0.729 1.00 0.00 O ATOM 407 CB VAL A 31 -1.645 22.900 -1.322 1.00 0.00 C ATOM 408 CG1 VAL A 31 -1.117 24.326 -1.337 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.503 21.899 -1.408 1.00 0.00 C ATOM 0 H VAL A 31 -3.519 21.018 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.852 22.754 0.822 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.283 22.766 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.524 24.485 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.954 25.024 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.494 24.492 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.082 22.091 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.136 22.000 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.908 20.888 -1.448 1.00 0.00 H new ATOM 419 N ALA A 32 -3.456 24.660 0.888 1.00 0.00 N ATOM 420 CA ALA A 32 -4.455 25.710 1.045 1.00 0.00 C ATOM 421 C ALA A 32 -3.831 26.982 1.608 1.00 0.00 C ATOM 422 O ALA A 32 -2.877 26.927 2.385 1.00 0.00 O ATOM 423 CB ALA A 32 -5.586 25.232 1.944 1.00 0.00 C ATOM 0 H ALA A 32 -2.649 24.750 1.505 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.861 25.941 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.325 26.026 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.058 24.355 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.186 24.972 2.924 1.00 0.00 H new ATOM 429 N THR A 33 -4.374 28.128 1.211 1.00 0.00 N ATOM 430 CA THR A 33 -3.869 29.415 1.675 1.00 0.00 C ATOM 431 C THR A 33 -4.670 29.921 2.869 1.00 0.00 C ATOM 432 O THR A 33 -5.694 29.345 3.231 1.00 0.00 O ATOM 433 CB THR A 33 -3.913 30.472 0.556 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.236 31.008 0.440 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.486 29.870 -0.775 1.00 0.00 C ATOM 0 H THR A 33 -5.164 28.192 0.569 1.00 0.00 H new ATOM 0 HA THR A 33 -2.833 29.259 1.976 1.00 0.00 H new ATOM 0 HB THR A 33 -3.219 31.271 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.255 31.681 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.525 30.636 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.468 29.489 -0.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.159 29.053 -1.037 1.00 0.00 H new ATOM 443 N GLY A 34 -4.195 31.004 3.477 1.00 0.00 N ATOM 444 CA GLY A 34 -4.880 31.571 4.624 1.00 0.00 C ATOM 445 C GLY A 34 -3.949 31.808 5.797 1.00 0.00 C ATOM 446 O GLY A 34 -3.166 30.932 6.163 1.00 0.00 O ATOM 0 H GLY A 34 -3.348 31.499 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.344 32.514 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.683 30.901 4.931 1.00 0.00 H new ATOM 450 N SER A 35 -4.032 32.997 6.385 1.00 0.00 N ATOM 451 CA SER A 35 -3.186 33.350 7.520 1.00 0.00 C ATOM 452 C SER A 35 -4.015 33.489 8.793 1.00 0.00 C ATOM 453 O SER A 35 -4.978 34.253 8.857 1.00 0.00 O ATOM 454 CB SER A 35 -2.438 34.654 7.239 1.00 0.00 C ATOM 455 OG SER A 35 -3.340 35.702 6.929 1.00 0.00 O ATOM 0 H SER A 35 -4.676 33.732 6.095 1.00 0.00 H new ATOM 0 HA SER A 35 -2.462 32.548 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.841 34.929 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.746 34.508 6.410 1.00 0.00 H new ATOM 0 HG SER A 35 -4.166 35.585 7.443 1.00 0.00 H new ATOM 461 N PRO A 36 -3.632 32.732 9.832 1.00 0.00 N ATOM 462 CA PRO A 36 -2.488 31.818 9.768 1.00 0.00 C ATOM 463 C PRO A 36 -2.755 30.618 8.866 1.00 0.00 C ATOM 464 O PRO A 36 -3.892 30.372 8.463 1.00 0.00 O ATOM 465 CB PRO A 36 -2.311 31.367 11.220 1.00 0.00 C ATOM 466 CG PRO A 36 -3.660 31.526 11.832 1.00 0.00 C ATOM 467 CD PRO A 36 -4.288 32.710 11.151 1.00 0.00 C ATOM 0 HA PRO A 36 -1.605 32.299 9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.971 30.333 11.275 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.568 31.975 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.262 30.629 11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.584 31.689 12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.368 32.595 11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.110 33.633 11.704 1.00 0.00 H new ATOM 475 N VAL A 37 -1.700 29.872 8.553 1.00 0.00 N ATOM 476 CA VAL A 37 -1.821 28.696 7.700 1.00 0.00 C ATOM 477 C VAL A 37 -3.038 27.862 8.083 1.00 0.00 C ATOM 478 O VAL A 37 -3.341 27.664 9.260 1.00 0.00 O ATOM 479 CB VAL A 37 -0.562 27.813 7.780 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.741 26.550 6.951 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.664 28.590 7.325 1.00 0.00 C ATOM 0 H VAL A 37 -0.752 30.062 8.878 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.939 29.057 6.678 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.412 27.518 8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.159 25.939 7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.593 25.985 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.917 26.820 5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.544 27.950 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.526 28.917 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.801 29.461 7.966 1.00 0.00 H new ATOM 491 N PRO A 38 -3.755 27.360 7.067 1.00 0.00 N ATOM 492 CA PRO A 38 -4.952 26.538 7.272 1.00 0.00 C ATOM 493 C PRO A 38 -4.620 25.165 7.845 1.00 0.00 C ATOM 494 O PRO A 38 -3.581 24.583 7.530 1.00 0.00 O ATOM 495 CB PRO A 38 -5.535 26.403 5.863 1.00 0.00 C ATOM 496 CG PRO A 38 -4.370 26.583 4.952 1.00 0.00 C ATOM 497 CD PRO A 38 -3.453 27.556 5.639 1.00 0.00 C ATOM 0 HA PRO A 38 -5.638 26.988 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.003 25.429 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.302 27.155 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.866 25.634 4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.689 26.965 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.406 27.347 5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.647 28.581 5.324 1.00 0.00 H new ATOM 505 N THR A 39 -5.509 24.649 8.688 1.00 0.00 N ATOM 506 CA THR A 39 -5.311 23.344 9.305 1.00 0.00 C ATOM 507 C THR A 39 -5.851 22.228 8.418 1.00 0.00 C ATOM 508 O THR A 39 -7.052 22.159 8.154 1.00 0.00 O ATOM 509 CB THR A 39 -5.993 23.265 10.684 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.665 24.422 11.460 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.564 22.010 11.429 1.00 0.00 C ATOM 0 H THR A 39 -6.374 25.116 8.959 1.00 0.00 H new ATOM 0 HA THR A 39 -4.236 23.215 9.432 1.00 0.00 H new ATOM 0 HB THR A 39 -7.071 23.226 10.529 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.104 24.365 12.334 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.058 21.976 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.842 21.130 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.484 22.023 11.572 1.00 0.00 H new ATOM 519 N ILE A 40 -4.958 21.357 7.962 1.00 0.00 N ATOM 520 CA ILE A 40 -5.346 20.243 7.106 1.00 0.00 C ATOM 521 C ILE A 40 -5.726 19.020 7.934 1.00 0.00 C ATOM 522 O ILE A 40 -4.885 18.432 8.614 1.00 0.00 O ATOM 523 CB ILE A 40 -4.216 19.859 6.133 1.00 0.00 C ATOM 524 CG1 ILE A 40 -4.103 20.896 5.013 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.460 18.473 5.557 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.416 22.306 5.461 1.00 0.00 C ATOM 0 H ILE A 40 -3.961 21.401 8.171 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.211 20.574 6.532 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.275 19.841 6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.093 20.869 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.781 20.621 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.652 18.217 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.494 17.744 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.409 18.464 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.316 22.987 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.436 22.349 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.722 22.600 6.248 1.00 0.00 H new ATOM 538 N LEU A 41 -6.998 18.641 7.870 1.00 0.00 N ATOM 539 CA LEU A 41 -7.490 17.486 8.612 1.00 0.00 C ATOM 540 C LEU A 41 -7.786 16.321 7.673 1.00 0.00 C ATOM 541 O LEU A 41 -7.667 16.448 6.454 1.00 0.00 O ATOM 542 CB LEU A 41 -8.751 17.858 9.395 1.00 0.00 C ATOM 543 CG LEU A 41 -8.526 18.568 10.730 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.463 17.849 11.546 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.133 20.021 10.502 1.00 0.00 C ATOM 0 H LEU A 41 -7.707 19.117 7.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.713 17.176 9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.370 18.498 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.320 16.948 9.582 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.460 18.548 11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.317 18.369 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.784 16.826 11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.525 17.836 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.977 20.511 11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.212 20.062 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.928 20.532 9.959 1.00 0.00 H new ATOM 557 N TRP A 42 -8.175 15.189 8.248 1.00 0.00 N ATOM 558 CA TRP A 42 -8.490 14.002 7.462 1.00 0.00 C ATOM 559 C TRP A 42 -9.719 13.291 8.018 1.00 0.00 C ATOM 560 O TRP A 42 -9.930 13.253 9.230 1.00 0.00 O ATOM 561 CB TRP A 42 -7.297 13.045 7.443 1.00 0.00 C ATOM 562 CG TRP A 42 -6.081 13.624 6.786 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.954 14.083 7.407 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.872 13.809 5.382 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.057 14.541 6.473 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.595 14.383 5.223 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.637 13.542 4.243 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.071 14.696 3.972 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.115 13.854 3.002 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.842 14.425 2.874 1.00 0.00 C ATOM 0 H TRP A 42 -8.280 15.068 9.255 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.707 14.320 6.442 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.049 12.765 8.467 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.582 12.131 6.922 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.792 14.085 8.475 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.139 14.935 6.677 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.618 13.100 4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.090 15.137 3.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.699 13.654 2.115 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.462 14.656 1.890 1.00 0.00 H new ATOM 581 N ARG A 43 -10.527 12.729 7.125 1.00 0.00 N ATOM 582 CA ARG A 43 -11.736 12.020 7.528 1.00 0.00 C ATOM 583 C ARG A 43 -11.973 10.801 6.641 1.00 0.00 C ATOM 584 O ARG A 43 -11.828 10.870 5.421 1.00 0.00 O ATOM 585 CB ARG A 43 -12.946 12.954 7.464 1.00 0.00 C ATOM 586 CG ARG A 43 -13.067 13.878 8.664 1.00 0.00 C ATOM 587 CD ARG A 43 -14.454 14.494 8.757 1.00 0.00 C ATOM 588 NE ARG A 43 -14.455 15.727 9.538 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.548 16.440 9.785 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.722 16.044 9.314 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.468 17.552 10.505 1.00 0.00 N ATOM 0 H ARG A 43 -10.367 12.751 6.118 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.602 11.680 8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.882 13.556 6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.853 12.355 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.854 13.321 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.321 14.669 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.827 14.700 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.139 13.777 9.210 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.567 16.059 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.788 15.190 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.560 16.593 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.566 17.860 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.308 18.099 10.694 1.00 0.00 H new ATOM 605 N LYS A 44 -12.337 9.685 7.264 1.00 0.00 N ATOM 606 CA LYS A 44 -12.595 8.450 6.532 1.00 0.00 C ATOM 607 C LYS A 44 -14.061 8.045 6.649 1.00 0.00 C ATOM 608 O LYS A 44 -14.566 7.817 7.748 1.00 0.00 O ATOM 609 CB LYS A 44 -11.701 7.325 7.058 1.00 0.00 C ATOM 610 CG LYS A 44 -12.107 5.946 6.569 1.00 0.00 C ATOM 611 CD LYS A 44 -11.677 5.716 5.130 1.00 0.00 C ATOM 612 CE LYS A 44 -11.458 4.238 4.843 1.00 0.00 C ATOM 613 NZ LYS A 44 -12.743 3.486 4.795 1.00 0.00 N ATOM 0 H LYS A 44 -12.460 9.610 8.274 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.367 8.626 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.672 7.519 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.722 7.335 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.660 5.186 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.188 5.834 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.436 6.110 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.757 6.266 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.936 4.126 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.815 3.810 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.585 2.557 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.104 3.354 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.438 4.021 4.236 1.00 0.00 H new ATOM 627 N ASP A 45 -14.738 7.956 5.510 1.00 0.00 N ATOM 628 CA ASP A 45 -16.146 7.575 5.484 1.00 0.00 C ATOM 629 C ASP A 45 -16.976 8.505 6.363 1.00 0.00 C ATOM 630 O ASP A 45 -17.932 8.077 7.008 1.00 0.00 O ATOM 631 CB ASP A 45 -16.313 6.128 5.950 1.00 0.00 C ATOM 632 CG ASP A 45 -17.656 5.544 5.556 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.204 5.967 4.516 1.00 0.00 O ATOM 634 OD2 ASP A 45 -18.157 4.665 6.286 1.00 0.00 O ATOM 0 H ASP A 45 -14.335 8.142 4.592 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.502 7.661 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.516 5.518 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.205 6.084 7.034 1.00 0.00 H new ATOM 639 N GLY A 46 -16.603 9.781 6.385 1.00 0.00 N ATOM 640 CA GLY A 46 -17.323 10.751 7.189 1.00 0.00 C ATOM 641 C GLY A 46 -17.003 10.632 8.665 1.00 0.00 C ATOM 642 O GLY A 46 -17.832 10.955 9.516 1.00 0.00 O ATOM 0 H GLY A 46 -15.815 10.160 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.077 11.756 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.395 10.617 7.041 1.00 0.00 H new ATOM 646 N VAL A 47 -15.797 10.165 8.972 1.00 0.00 N ATOM 647 CA VAL A 47 -15.369 10.002 10.357 1.00 0.00 C ATOM 648 C VAL A 47 -13.967 10.563 10.568 1.00 0.00 C ATOM 649 O VAL A 47 -13.139 10.553 9.657 1.00 0.00 O ATOM 650 CB VAL A 47 -15.387 8.522 10.780 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.859 8.365 12.198 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.792 7.951 10.660 1.00 0.00 C ATOM 0 H VAL A 47 -15.099 9.893 8.280 1.00 0.00 H new ATOM 0 HA VAL A 47 -16.076 10.556 10.974 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.733 7.963 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.879 7.312 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.835 8.734 12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.484 8.936 12.884 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.786 6.904 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -17.469 8.512 11.305 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -17.129 8.028 9.626 1.00 0.00 H new ATOM 662 N LEU A 48 -13.708 11.052 11.776 1.00 0.00 N ATOM 663 CA LEU A 48 -12.405 11.617 12.109 1.00 0.00 C ATOM 664 C LEU A 48 -11.316 10.550 12.045 1.00 0.00 C ATOM 665 O LEU A 48 -11.377 9.543 12.751 1.00 0.00 O ATOM 666 CB LEU A 48 -12.440 12.243 13.504 1.00 0.00 C ATOM 667 CG LEU A 48 -12.860 13.712 13.570 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.773 14.605 12.993 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.174 13.924 12.832 1.00 0.00 C ATOM 0 H LEU A 48 -14.383 11.069 12.541 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.174 12.390 11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.123 11.662 14.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.449 12.149 13.948 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.005 13.982 14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.090 15.646 13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.854 14.475 13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.595 14.335 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.458 14.975 12.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.055 13.636 11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.951 13.313 13.290 1.00 0.00 H new ATOM 681 N VAL A 49 -10.320 10.779 11.196 1.00 0.00 N ATOM 682 CA VAL A 49 -9.215 9.839 11.042 1.00 0.00 C ATOM 683 C VAL A 49 -8.638 9.444 12.397 1.00 0.00 C ATOM 684 O VAL A 49 -8.677 10.221 13.351 1.00 0.00 O ATOM 685 CB VAL A 49 -8.092 10.431 10.171 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.468 11.640 10.851 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.039 9.376 9.870 1.00 0.00 C ATOM 0 H VAL A 49 -10.255 11.607 10.604 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.618 8.954 10.549 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.525 10.760 9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.677 12.044 10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.231 12.402 11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.049 11.341 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.253 9.812 9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.609 9.014 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.499 8.544 9.337 1.00 0.00 H new ATOM 697 N SER A 50 -8.101 8.231 12.474 1.00 0.00 N ATOM 698 CA SER A 50 -7.517 7.730 13.713 1.00 0.00 C ATOM 699 C SER A 50 -5.995 7.834 13.677 1.00 0.00 C ATOM 700 O SER A 50 -5.301 6.863 13.375 1.00 0.00 O ATOM 701 CB SER A 50 -7.935 6.277 13.947 1.00 0.00 C ATOM 702 OG SER A 50 -9.132 6.206 14.702 1.00 0.00 O ATOM 0 H SER A 50 -8.058 7.576 11.693 1.00 0.00 H new ATOM 0 HA SER A 50 -7.886 8.344 14.535 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.076 5.777 12.989 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.139 5.746 14.470 1.00 0.00 H new ATOM 0 HG SER A 50 -9.379 5.267 14.836 1.00 0.00 H new ATOM 708 N THR A 51 -5.482 9.021 13.989 1.00 0.00 N ATOM 709 CA THR A 51 -4.044 9.254 13.992 1.00 0.00 C ATOM 710 C THR A 51 -3.389 8.636 15.222 1.00 0.00 C ATOM 711 O THR A 51 -2.683 9.315 15.967 1.00 0.00 O ATOM 712 CB THR A 51 -3.719 10.759 13.953 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.734 11.461 13.227 1.00 0.00 O ATOM 714 CG2 THR A 51 -2.364 11.004 13.306 1.00 0.00 C ATOM 0 H THR A 51 -6.042 9.835 14.243 1.00 0.00 H new ATOM 0 HA THR A 51 -3.645 8.780 13.095 1.00 0.00 H new ATOM 0 HB THR A 51 -3.686 11.127 14.978 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.521 12.417 13.208 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.157 12.074 13.290 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.590 10.493 13.878 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.373 10.621 12.286 1.00 0.00 H new ATOM 722 N GLN A 52 -3.628 7.345 15.428 1.00 0.00 N ATOM 723 CA GLN A 52 -3.060 6.636 16.568 1.00 0.00 C ATOM 724 C GLN A 52 -2.291 5.400 16.114 1.00 0.00 C ATOM 725 O GLN A 52 -1.358 4.956 16.783 1.00 0.00 O ATOM 726 CB GLN A 52 -4.166 6.232 17.546 1.00 0.00 C ATOM 727 CG GLN A 52 -4.640 7.372 18.433 1.00 0.00 C ATOM 728 CD GLN A 52 -3.652 7.704 19.534 1.00 0.00 C ATOM 729 OE1 GLN A 52 -2.621 8.331 19.290 1.00 0.00 O ATOM 730 NE2 GLN A 52 -3.963 7.284 20.755 1.00 0.00 N ATOM 0 H GLN A 52 -4.211 6.769 14.821 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.365 7.308 17.072 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.014 5.845 16.982 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.804 5.419 18.176 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.807 8.258 17.821 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.599 7.106 18.878 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.828 6.767 20.912 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.336 7.478 21.536 1.00 0.00 H new ATOM 739 N ASP A 53 -2.688 4.849 14.972 1.00 0.00 N ATOM 740 CA ASP A 53 -2.035 3.665 14.427 1.00 0.00 C ATOM 741 C ASP A 53 -0.766 4.044 13.669 1.00 0.00 C ATOM 742 O ASP A 53 -0.780 4.941 12.826 1.00 0.00 O ATOM 743 CB ASP A 53 -2.990 2.910 13.501 1.00 0.00 C ATOM 744 CG ASP A 53 -2.653 1.435 13.399 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.322 0.829 14.440 1.00 0.00 O ATOM 746 OD2 ASP A 53 -2.719 0.887 12.279 1.00 0.00 O ATOM 0 H ASP A 53 -3.459 5.204 14.406 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.760 3.017 15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.011 3.022 13.867 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.957 3.357 12.507 1.00 0.00 H new ATOM 751 N SER A 54 0.328 3.355 13.975 1.00 0.00 N ATOM 752 CA SER A 54 1.606 3.623 13.327 1.00 0.00 C ATOM 753 C SER A 54 1.428 3.784 11.820 1.00 0.00 C ATOM 754 O SER A 54 2.150 4.546 11.176 1.00 0.00 O ATOM 755 CB SER A 54 2.596 2.492 13.616 1.00 0.00 C ATOM 756 OG SER A 54 2.161 1.274 13.038 1.00 0.00 O ATOM 0 H SER A 54 0.355 2.607 14.668 1.00 0.00 H new ATOM 0 HA SER A 54 2.001 4.555 13.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.578 2.755 13.223 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.707 2.368 14.693 1.00 0.00 H new ATOM 0 HG SER A 54 2.811 0.568 13.235 1.00 0.00 H new ATOM 762 N ARG A 55 0.461 3.061 11.264 1.00 0.00 N ATOM 763 CA ARG A 55 0.187 3.122 9.834 1.00 0.00 C ATOM 764 C ARG A 55 0.037 4.568 9.370 1.00 0.00 C ATOM 765 O ARG A 55 0.643 4.979 8.380 1.00 0.00 O ATOM 766 CB ARG A 55 -1.081 2.334 9.501 1.00 0.00 C ATOM 767 CG ARG A 55 -0.954 0.841 9.752 1.00 0.00 C ATOM 768 CD ARG A 55 -2.071 0.065 9.071 1.00 0.00 C ATOM 769 NE ARG A 55 -3.298 0.064 9.863 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.199 1.039 9.822 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.013 2.086 9.031 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.291 0.966 10.573 1.00 0.00 N ATOM 0 H ARG A 55 -0.146 2.426 11.783 1.00 0.00 H new ATOM 0 HA ARG A 55 1.032 2.676 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.908 2.725 10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.336 2.497 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.011 0.490 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.977 0.648 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.271 0.502 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.748 -0.962 8.902 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.473 -0.728 10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.176 2.145 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.707 2.833 9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.438 0.161 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.983 1.715 10.541 1.00 0.00 H new ATOM 786 N ILE A 56 -0.774 5.334 10.092 1.00 0.00 N ATOM 787 CA ILE A 56 -1.003 6.734 9.755 1.00 0.00 C ATOM 788 C ILE A 56 -0.096 7.651 10.569 1.00 0.00 C ATOM 789 O ILE A 56 -0.151 7.666 11.799 1.00 0.00 O ATOM 790 CB ILE A 56 -2.470 7.138 9.994 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.408 6.219 9.209 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.690 8.591 9.600 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.832 4.988 9.979 1.00 0.00 C ATOM 0 H ILE A 56 -1.283 5.009 10.914 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.772 6.845 8.696 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.693 7.033 11.056 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.296 6.781 8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.914 5.909 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.731 8.862 9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.043 9.232 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.453 8.721 8.544 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.496 4.383 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.951 4.404 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.355 5.289 10.887 1.00 0.00 H new ATOM 805 N LYS A 57 0.739 8.416 9.875 1.00 0.00 N ATOM 806 CA LYS A 57 1.657 9.340 10.531 1.00 0.00 C ATOM 807 C LYS A 57 1.755 10.651 9.758 1.00 0.00 C ATOM 808 O LYS A 57 1.552 10.683 8.545 1.00 0.00 O ATOM 809 CB LYS A 57 3.044 8.707 10.660 1.00 0.00 C ATOM 810 CG LYS A 57 4.053 9.592 11.370 1.00 0.00 C ATOM 811 CD LYS A 57 5.106 8.769 12.093 1.00 0.00 C ATOM 812 CE LYS A 57 6.076 8.123 11.115 1.00 0.00 C ATOM 813 NZ LYS A 57 5.495 6.908 10.479 1.00 0.00 N ATOM 0 H LYS A 57 0.799 8.415 8.857 1.00 0.00 H new ATOM 0 HA LYS A 57 1.268 9.554 11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.955 7.765 11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.419 8.469 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.536 10.247 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.537 10.233 12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.656 9.407 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.620 7.997 12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.347 8.843 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.994 7.856 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.230 6.178 10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.717 6.546 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.131 7.150 9.535 1.00 0.00 H new ATOM 827 N GLN A 58 2.068 11.730 10.468 1.00 0.00 N ATOM 828 CA GLN A 58 2.194 13.043 9.847 1.00 0.00 C ATOM 829 C GLN A 58 3.653 13.482 9.792 1.00 0.00 C ATOM 830 O GLN A 58 4.238 13.859 10.809 1.00 0.00 O ATOM 831 CB GLN A 58 1.367 14.075 10.616 1.00 0.00 C ATOM 832 CG GLN A 58 -0.065 14.199 10.121 1.00 0.00 C ATOM 833 CD GLN A 58 -0.771 15.420 10.676 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.891 15.584 11.890 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.242 16.287 9.786 1.00 0.00 N ATOM 0 H GLN A 58 2.239 11.721 11.474 1.00 0.00 H new ATOM 0 HA GLN A 58 1.817 12.972 8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.355 13.805 11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.854 15.047 10.541 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.066 14.247 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.621 13.304 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.120 16.111 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.725 17.128 10.100 1.00 0.00 H new ATOM 844 N LEU A 59 4.237 13.431 8.600 1.00 0.00 N ATOM 845 CA LEU A 59 5.629 13.823 8.412 1.00 0.00 C ATOM 846 C LEU A 59 5.773 15.341 8.421 1.00 0.00 C ATOM 847 O LEU A 59 6.574 15.894 9.174 1.00 0.00 O ATOM 848 CB LEU A 59 6.166 13.256 7.097 1.00 0.00 C ATOM 849 CG LEU A 59 5.569 11.922 6.647 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.251 11.047 7.850 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.320 12.152 5.808 1.00 0.00 C ATOM 0 H LEU A 59 3.768 13.122 7.749 1.00 0.00 H new ATOM 0 HA LEU A 59 6.210 13.417 9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.995 13.991 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.245 13.135 7.191 1.00 0.00 H new ATOM 0 HG LEU A 59 6.306 11.405 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.827 10.102 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.165 10.854 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.533 11.557 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.909 11.192 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.579 12.690 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.577 12.740 4.927 1.00 0.00 H new ATOM 863 N GLU A 60 4.990 16.010 7.580 1.00 0.00 N ATOM 864 CA GLU A 60 5.030 17.465 7.493 1.00 0.00 C ATOM 865 C GLU A 60 3.659 18.066 7.791 1.00 0.00 C ATOM 866 O GLU A 60 2.716 17.351 8.126 1.00 0.00 O ATOM 867 CB GLU A 60 5.500 17.902 6.104 1.00 0.00 C ATOM 868 CG GLU A 60 6.555 16.989 5.503 1.00 0.00 C ATOM 869 CD GLU A 60 7.469 17.712 4.533 1.00 0.00 C ATOM 870 OE1 GLU A 60 6.965 18.223 3.511 1.00 0.00 O ATOM 871 OE2 GLU A 60 8.688 17.768 4.796 1.00 0.00 O ATOM 0 H GLU A 60 4.321 15.568 6.950 1.00 0.00 H new ATOM 0 HA GLU A 60 5.737 17.829 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.641 17.940 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.900 18.914 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.153 16.554 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.064 16.163 4.987 1.00 0.00 H new ATOM 878 N ASN A 61 3.558 19.385 7.666 1.00 0.00 N ATOM 879 CA ASN A 61 2.304 20.083 7.923 1.00 0.00 C ATOM 880 C ASN A 61 1.290 19.804 6.818 1.00 0.00 C ATOM 881 O ASN A 61 1.464 20.233 5.678 1.00 0.00 O ATOM 882 CB ASN A 61 2.548 21.590 8.037 1.00 0.00 C ATOM 883 CG ASN A 61 3.673 22.062 7.136 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.848 21.979 7.495 1.00 0.00 O ATOM 885 ND2 ASN A 61 3.317 22.563 5.959 1.00 0.00 N ATOM 0 H ASN A 61 4.329 19.992 7.388 1.00 0.00 H new ATOM 0 HA ASN A 61 1.899 19.715 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.633 22.124 7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.785 21.840 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.030 22.898 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.331 22.612 5.703 1.00 0.00 H new ATOM 892 N GLY A 62 0.228 19.082 7.165 1.00 0.00 N ATOM 893 CA GLY A 62 -0.799 18.757 6.192 1.00 0.00 C ATOM 894 C GLY A 62 -0.459 17.523 5.380 1.00 0.00 C ATOM 895 O GLY A 62 -1.277 17.042 4.596 1.00 0.00 O ATOM 0 H GLY A 62 0.061 18.717 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.746 18.599 6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.939 19.603 5.520 1.00 0.00 H new ATOM 899 N VAL A 63 0.753 17.010 5.566 1.00 0.00 N ATOM 900 CA VAL A 63 1.200 15.824 4.844 1.00 0.00 C ATOM 901 C VAL A 63 0.979 14.562 5.670 1.00 0.00 C ATOM 902 O VAL A 63 1.594 14.380 6.721 1.00 0.00 O ATOM 903 CB VAL A 63 2.690 15.924 4.467 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.108 14.732 3.621 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.968 17.230 3.738 1.00 0.00 C ATOM 0 H VAL A 63 1.443 17.397 6.210 1.00 0.00 H new ATOM 0 HA VAL A 63 0.606 15.766 3.932 1.00 0.00 H new ATOM 0 HB VAL A 63 3.280 15.913 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.164 14.820 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.947 13.812 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.513 14.708 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.025 17.284 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.369 17.274 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.709 18.069 4.384 1.00 0.00 H new ATOM 915 N LEU A 64 0.098 13.693 5.187 1.00 0.00 N ATOM 916 CA LEU A 64 -0.204 12.445 5.881 1.00 0.00 C ATOM 917 C LEU A 64 0.225 11.241 5.048 1.00 0.00 C ATOM 918 O LEU A 64 0.203 11.286 3.819 1.00 0.00 O ATOM 919 CB LEU A 64 -1.700 12.359 6.189 1.00 0.00 C ATOM 920 CG LEU A 64 -2.130 11.227 7.123 1.00 0.00 C ATOM 921 CD1 LEU A 64 -1.746 11.546 8.559 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.627 10.982 7.010 1.00 0.00 C ATOM 0 H LEU A 64 -0.419 13.829 4.319 1.00 0.00 H new ATOM 0 HA LEU A 64 0.355 12.434 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.015 13.305 6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.239 12.250 5.248 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.610 10.317 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.060 10.730 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.665 11.670 8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.237 12.468 8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.915 10.173 7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.166 11.889 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.874 10.708 5.985 1.00 0.00 H new ATOM 934 N GLN A 65 0.613 10.167 5.727 1.00 0.00 N ATOM 935 CA GLN A 65 1.045 8.950 5.050 1.00 0.00 C ATOM 936 C GLN A 65 0.468 7.713 5.730 1.00 0.00 C ATOM 937 O GLN A 65 0.560 7.564 6.949 1.00 0.00 O ATOM 938 CB GLN A 65 2.573 8.869 5.028 1.00 0.00 C ATOM 939 CG GLN A 65 3.107 7.663 4.273 1.00 0.00 C ATOM 940 CD GLN A 65 4.468 7.218 4.772 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.583 6.602 5.832 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.509 7.529 4.008 1.00 0.00 N ATOM 0 H GLN A 65 0.637 10.115 6.745 1.00 0.00 H new ATOM 0 HA GLN A 65 0.675 8.984 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.970 9.777 4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.942 8.838 6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.401 6.838 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.174 7.904 3.212 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.368 8.041 3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.450 7.256 4.292 1.00 0.00 H new ATOM 951 N ILE A 66 -0.127 6.830 4.935 1.00 0.00 N ATOM 952 CA ILE A 66 -0.718 5.606 5.461 1.00 0.00 C ATOM 953 C ILE A 66 -0.060 4.373 4.853 1.00 0.00 C ATOM 954 O ILE A 66 -0.299 4.038 3.692 1.00 0.00 O ATOM 955 CB ILE A 66 -2.233 5.552 5.191 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.920 6.795 5.760 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.833 4.288 5.788 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.998 7.945 4.781 1.00 0.00 C ATOM 0 H ILE A 66 -0.212 6.939 3.925 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.549 5.611 6.538 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.394 5.533 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.929 6.529 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.382 7.122 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.904 4.265 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.361 3.414 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.664 4.278 6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.497 8.791 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.991 8.238 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.562 7.636 3.901 1.00 0.00 H new ATOM 970 N ARG A 67 0.768 3.699 5.645 1.00 0.00 N ATOM 971 CA ARG A 67 1.460 2.501 5.185 1.00 0.00 C ATOM 972 C ARG A 67 0.655 1.248 5.513 1.00 0.00 C ATOM 973 O ARG A 67 -0.119 1.228 6.471 1.00 0.00 O ATOM 974 CB ARG A 67 2.847 2.411 5.823 1.00 0.00 C ATOM 975 CG ARG A 67 3.914 3.195 5.076 1.00 0.00 C ATOM 976 CD ARG A 67 5.132 3.450 5.950 1.00 0.00 C ATOM 977 NE ARG A 67 6.336 3.683 5.156 1.00 0.00 N ATOM 978 CZ ARG A 67 7.558 3.741 5.674 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.737 3.584 6.978 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.604 3.957 4.887 1.00 0.00 N ATOM 0 H ARG A 67 0.976 3.962 6.608 1.00 0.00 H new ATOM 0 HA ARG A 67 1.569 2.568 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.790 2.777 6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.147 1.364 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.214 2.645 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.500 4.146 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.946 4.314 6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.291 2.596 6.608 1.00 0.00 H new ATOM 0 HE ARG A 67 6.233 3.808 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.935 3.418 7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.676 3.629 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.470 4.079 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.542 4.001 5.286 1.00 0.00 H new ATOM 994 N TYR A 68 0.842 0.204 4.713 1.00 0.00 N ATOM 995 CA TYR A 68 0.130 -1.052 4.917 1.00 0.00 C ATOM 996 C TYR A 68 -1.360 -0.886 4.636 1.00 0.00 C ATOM 997 O TYR A 68 -2.201 -1.224 5.469 1.00 0.00 O ATOM 998 CB TYR A 68 0.339 -1.555 6.346 1.00 0.00 C ATOM 999 CG TYR A 68 1.780 -1.504 6.801 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.679 -2.499 6.438 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.242 -0.461 7.594 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.996 -2.458 6.853 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.558 -0.410 8.012 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.431 -1.411 7.639 1.00 0.00 C ATOM 1005 OH TYR A 68 5.743 -1.365 8.053 1.00 0.00 O ATOM 0 H TYR A 68 1.480 0.203 3.917 1.00 0.00 H new ATOM 0 HA TYR A 68 0.533 -1.786 4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.269 -0.957 7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.020 -2.582 6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.342 -3.319 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.561 0.323 7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.681 -3.241 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.901 0.409 8.627 1.00 0.00 H new ATOM 0 HH TYR A 68 5.886 -0.563 8.598 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.679 -0.364 3.456 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.067 -0.155 3.063 1.00 0.00 C ATOM 1017 C ALA A 69 -3.788 -1.484 2.868 1.00 0.00 C ATOM 1018 O ALA A 69 -3.565 -2.185 1.881 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.136 0.677 1.792 1.00 0.00 C ATOM 0 H ALA A 69 -0.995 -0.078 2.756 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.569 0.386 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.178 0.825 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.666 1.645 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.613 0.158 0.989 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.654 -1.827 3.816 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.410 -3.072 3.748 1.00 0.00 C ATOM 1027 C LYS A 70 -6.653 -2.908 2.880 1.00 0.00 C ATOM 1028 O LYS A 70 -7.082 -1.789 2.597 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.812 -3.525 5.154 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.654 -3.565 6.135 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.143 -3.657 7.571 1.00 0.00 C ATOM 1032 CE LYS A 70 -5.527 -2.291 8.118 1.00 0.00 C ATOM 1033 NZ LYS A 70 -6.218 -2.394 9.433 1.00 0.00 N ATOM 0 H LYS A 70 -4.850 -1.260 4.641 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.772 -3.831 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.579 -2.852 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.260 -4.517 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.016 -4.420 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.043 -2.671 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.003 -4.325 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.363 -4.094 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.632 -1.678 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.177 -1.784 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.463 -1.442 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.086 -2.957 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.589 -2.855 10.121 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.228 -4.030 2.461 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.424 -4.011 1.625 1.00 0.00 C ATOM 1049 C LEU A 71 -9.548 -3.232 2.302 1.00 0.00 C ATOM 1050 O LEU A 71 -10.338 -2.562 1.639 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.884 -5.438 1.327 1.00 0.00 C ATOM 1052 CG LEU A 71 -7.920 -6.297 0.508 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.352 -7.755 0.531 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -7.835 -5.787 -0.923 1.00 0.00 C ATOM 0 H LEU A 71 -6.886 -4.964 2.686 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.175 -3.513 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.073 -5.943 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.835 -5.388 0.797 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.930 -6.226 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.654 -8.351 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.360 -8.116 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.352 -7.845 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.144 -6.410 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.822 -5.827 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.477 -4.757 -0.922 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.612 -3.326 3.627 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.642 -2.624 4.371 1.00 0.00 C ATOM 1068 C GLY A 72 -10.410 -1.127 4.410 1.00 0.00 C ATOM 1069 O GLY A 72 -11.282 -0.368 4.833 1.00 0.00 O ATOM 0 H GLY A 72 -8.970 -3.875 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.613 -2.826 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.677 -3.010 5.390 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.232 -0.700 3.969 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.887 0.717 3.955 1.00 0.00 C ATOM 1075 C ASP A 73 -9.547 1.425 2.776 1.00 0.00 C ATOM 1076 O ASP A 73 -9.700 2.647 2.778 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.370 0.894 3.888 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.666 0.324 5.104 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.194 -0.638 5.698 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.586 0.841 5.461 1.00 0.00 O ATOM 0 H ASP A 73 -8.499 -1.315 3.616 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.256 1.165 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.990 0.407 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.134 1.955 3.799 1.00 0.00 H new ATOM 1085 N THR A 74 -9.937 0.650 1.769 1.00 0.00 N ATOM 1086 CA THR A 74 -10.579 1.203 0.583 1.00 0.00 C ATOM 1087 C THR A 74 -11.696 2.168 0.962 1.00 0.00 C ATOM 1088 O THR A 74 -12.834 1.759 1.186 1.00 0.00 O ATOM 1089 CB THR A 74 -11.158 0.091 -0.312 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.132 -0.850 -0.649 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.754 0.676 -1.584 1.00 0.00 C ATOM 0 H THR A 74 -9.819 -0.363 1.751 1.00 0.00 H new ATOM 0 HA THR A 74 -9.810 1.742 0.029 1.00 0.00 H new ATOM 0 HB THR A 74 -11.949 -0.416 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.055 -1.519 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.157 -0.128 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.554 1.370 -1.325 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.979 1.205 -2.139 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.363 3.454 1.031 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.350 4.458 1.382 1.00 0.00 C ATOM 1101 C GLY A 75 -12.111 5.778 0.678 1.00 0.00 C ATOM 1102 O GLY A 75 -11.161 5.914 -0.094 1.00 0.00 O ATOM 0 H GLY A 75 -10.427 3.818 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.344 4.090 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.334 4.617 2.460 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.974 6.753 0.942 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.853 8.069 0.325 1.00 0.00 C ATOM 1108 C ARG A 76 -12.322 9.091 1.325 1.00 0.00 C ATOM 1109 O ARG A 76 -13.018 9.476 2.265 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.207 8.528 -0.219 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.616 7.828 -1.504 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.007 8.250 -1.951 1.00 0.00 C ATOM 1113 NE ARG A 76 -15.977 9.468 -2.756 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.024 9.926 -3.435 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -18.176 9.271 -3.404 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -16.918 11.042 -4.145 1.00 0.00 N ATOM 0 H ARG A 76 -13.765 6.657 1.579 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.145 7.992 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.971 8.354 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.172 9.603 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.895 8.057 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.593 6.749 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.462 7.445 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.636 8.410 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.105 9.996 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.261 8.413 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.978 9.625 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.033 11.549 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.721 11.393 -4.666 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.084 9.527 1.117 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.458 10.502 2.002 1.00 0.00 C ATOM 1132 C TYR A 77 -10.785 11.926 1.562 1.00 0.00 C ATOM 1133 O TYR A 77 -10.912 12.207 0.369 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.942 10.300 2.027 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.516 8.995 2.659 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.737 7.784 2.016 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.892 8.973 3.901 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.350 6.588 2.590 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.500 7.783 4.482 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.731 6.593 3.823 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.343 5.405 4.400 1.00 0.00 O ATOM 0 H TYR A 77 -10.494 9.220 0.343 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.855 10.351 3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.561 10.341 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.483 11.125 2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.220 7.777 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.711 9.902 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.531 5.655 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.015 7.784 5.447 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.921 5.584 5.266 1.00 0.00 H new ATOM 1151 N THR A 78 -10.922 12.823 2.534 1.00 0.00 N ATOM 1152 CA THR A 78 -11.235 14.217 2.249 1.00 0.00 C ATOM 1153 C THR A 78 -10.448 15.154 3.159 1.00 0.00 C ATOM 1154 O THR A 78 -10.288 14.889 4.351 1.00 0.00 O ATOM 1155 CB THR A 78 -12.739 14.501 2.417 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.475 13.892 1.350 1.00 0.00 O ATOM 1157 CG2 THR A 78 -13.009 15.998 2.436 1.00 0.00 C ATOM 0 H THR A 78 -10.821 12.608 3.526 1.00 0.00 H new ATOM 0 HA THR A 78 -10.952 14.399 1.212 1.00 0.00 H new ATOM 0 HB THR A 78 -13.062 14.078 3.368 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.431 14.076 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.078 16.173 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.471 16.454 3.267 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.671 16.441 1.499 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.958 16.250 2.590 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.188 17.228 3.349 1.00 0.00 C ATOM 1167 C CYS A 79 -10.077 18.377 3.816 1.00 0.00 C ATOM 1168 O CYS A 79 -11.057 18.724 3.157 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.037 17.771 2.501 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.405 19.389 3.053 1.00 0.00 S ATOM 0 H CYS A 79 -10.081 16.483 1.605 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.779 16.729 4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.219 17.050 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.371 17.857 1.467 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.726 18.963 4.956 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.491 20.073 5.510 1.00 0.00 C ATOM 1177 C ILE A 80 -9.571 21.201 5.965 1.00 0.00 C ATOM 1178 O ILE A 80 -8.647 20.985 6.748 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.357 19.621 6.701 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.155 18.369 6.333 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.290 20.743 7.133 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.403 17.080 6.576 1.00 0.00 C ATOM 0 H ILE A 80 -8.917 18.688 5.513 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.142 20.436 4.715 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.701 19.378 7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.080 18.355 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.436 18.423 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.896 20.409 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.702 21.611 7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.942 21.014 6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.030 16.234 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.491 17.072 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.145 17.003 7.632 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.833 22.406 5.469 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.031 23.570 5.826 1.00 0.00 C ATOM 1196 C ALA A 81 -9.852 24.578 6.625 1.00 0.00 C ATOM 1197 O ALA A 81 -10.785 25.186 6.101 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.461 24.223 4.576 1.00 0.00 C ATOM 0 H ALA A 81 -10.594 22.602 4.819 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.206 23.233 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.865 25.091 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.832 23.507 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.277 24.540 3.926 1.00 0.00 H new ATOM 1204 N SER A 82 -9.497 24.749 7.894 1.00 0.00 N ATOM 1205 CA SER A 82 -10.204 25.680 8.766 1.00 0.00 C ATOM 1206 C SER A 82 -9.381 26.945 8.992 1.00 0.00 C ATOM 1207 O SER A 82 -8.199 26.879 9.329 1.00 0.00 O ATOM 1208 CB SER A 82 -10.518 25.016 10.108 1.00 0.00 C ATOM 1209 OG SER A 82 -11.193 25.912 10.975 1.00 0.00 O ATOM 0 H SER A 82 -8.725 24.256 8.341 1.00 0.00 H new ATOM 0 HA SER A 82 -11.138 25.958 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.133 24.131 9.944 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.593 24.680 10.576 1.00 0.00 H new ATOM 0 HG SER A 82 -11.384 25.463 11.825 1.00 0.00 H new ATOM 1215 N THR A 83 -10.016 28.097 8.802 1.00 0.00 N ATOM 1216 CA THR A 83 -9.344 29.378 8.983 1.00 0.00 C ATOM 1217 C THR A 83 -10.299 30.425 9.547 1.00 0.00 C ATOM 1218 O THR A 83 -11.520 30.300 9.455 1.00 0.00 O ATOM 1219 CB THR A 83 -8.757 29.897 7.657 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.550 29.437 6.557 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.320 29.430 7.482 1.00 0.00 C ATOM 0 H THR A 83 -10.994 28.169 8.523 1.00 0.00 H new ATOM 0 HA THR A 83 -8.532 29.212 9.691 1.00 0.00 H new ATOM 0 HB THR A 83 -8.768 30.987 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.500 29.498 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.927 29.809 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.713 29.806 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.290 28.340 7.476 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.731 31.483 10.144 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.514 32.573 10.733 1.00 0.00 C ATOM 1231 C PRO A 84 -11.215 33.421 9.677 1.00 0.00 C ATOM 1232 O PRO A 84 -11.918 34.378 10.001 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.464 33.404 11.475 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.186 33.122 10.763 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.282 31.698 10.289 1.00 0.00 C ATOM 0 HA PRO A 84 -11.313 32.200 11.374 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.707 34.466 11.446 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.403 33.119 12.525 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.048 33.804 9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.332 33.256 11.427 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.758 31.553 9.344 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.843 31.005 11.007 1.00 0.00 H new ATOM 1243 N SER A 85 -11.018 33.063 8.412 1.00 0.00 N ATOM 1244 CA SER A 85 -11.628 33.794 7.307 1.00 0.00 C ATOM 1245 C SER A 85 -12.638 32.919 6.570 1.00 0.00 C ATOM 1246 O SER A 85 -13.538 33.422 5.898 1.00 0.00 O ATOM 1247 CB SER A 85 -10.553 34.282 6.335 1.00 0.00 C ATOM 1248 OG SER A 85 -9.695 35.224 6.954 1.00 0.00 O ATOM 0 H SER A 85 -10.441 32.272 8.127 1.00 0.00 H new ATOM 0 HA SER A 85 -12.152 34.656 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.969 33.434 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.025 34.734 5.463 1.00 0.00 H new ATOM 0 HG SER A 85 -9.016 35.519 6.312 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.480 31.605 6.700 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.384 30.681 6.041 1.00 0.00 C ATOM 1256 C GLY A 86 -12.925 29.240 6.157 1.00 0.00 C ATOM 1257 O GLY A 86 -12.031 28.929 6.942 1.00 0.00 O ATOM 0 H GLY A 86 -11.742 31.164 7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.379 30.778 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.468 30.949 4.988 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.541 28.360 5.374 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.192 26.944 5.395 1.00 0.00 C ATOM 1263 C GLU A 87 -13.494 26.290 4.050 1.00 0.00 C ATOM 1264 O GLU A 87 -14.504 26.589 3.415 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.957 26.224 6.508 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.443 24.823 6.791 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.531 23.892 7.290 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.688 24.040 6.844 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.226 23.017 8.127 1.00 0.00 O ATOM 0 H GLU A 87 -14.283 28.602 4.718 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.122 26.862 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.896 26.816 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.011 26.167 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.005 24.410 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.646 24.875 7.533 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.609 25.395 3.623 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.780 24.696 2.355 1.00 0.00 C ATOM 1278 C ALA A 88 -12.374 23.231 2.476 1.00 0.00 C ATOM 1279 O ALA A 88 -11.645 22.852 3.392 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.974 25.381 1.262 1.00 0.00 C ATOM 0 H ALA A 88 -11.766 25.137 4.137 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.836 24.732 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.111 24.848 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.315 26.410 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.918 25.376 1.531 1.00 0.00 H new ATOM 1286 N THR A 89 -12.852 22.411 1.545 1.00 0.00 N ATOM 1287 CA THR A 89 -12.540 20.987 1.548 1.00 0.00 C ATOM 1288 C THR A 89 -12.208 20.494 0.145 1.00 0.00 C ATOM 1289 O THR A 89 -12.407 21.208 -0.838 1.00 0.00 O ATOM 1290 CB THR A 89 -13.710 20.157 2.109 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.830 20.227 1.219 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.118 20.658 3.486 1.00 0.00 C ATOM 0 H THR A 89 -13.457 22.709 0.779 1.00 0.00 H new ATOM 0 HA THR A 89 -11.670 20.855 2.191 1.00 0.00 H new ATOM 0 HB THR A 89 -13.382 19.122 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.569 19.696 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.946 20.056 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.272 20.577 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.429 21.700 3.416 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.701 19.269 0.058 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.342 18.680 -1.227 1.00 0.00 C ATOM 1302 C TRP A 90 -11.868 17.253 -1.338 1.00 0.00 C ATOM 1303 O TRP A 90 -12.167 16.612 -0.330 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.824 18.693 -1.411 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.383 18.188 -2.752 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.967 16.923 -3.054 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.314 18.937 -3.970 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.643 16.840 -4.387 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.848 18.062 -4.971 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.603 20.260 -4.313 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.664 18.471 -6.289 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.419 20.665 -5.621 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.954 19.772 -6.597 1.00 0.00 C ATOM 0 H TRP A 90 -11.529 18.665 0.862 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.801 19.279 -2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.458 19.711 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.366 18.083 -0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.902 16.107 -2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.305 16.004 -4.864 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.964 20.954 -3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.305 17.785 -7.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.637 21.686 -5.896 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.822 20.118 -7.612 1.00 0.00 H new ATOM 1324 N SER A 91 -11.977 16.761 -2.567 1.00 0.00 N ATOM 1325 CA SER A 91 -12.470 15.410 -2.809 1.00 0.00 C ATOM 1326 C SER A 91 -11.340 14.493 -3.266 1.00 0.00 C ATOM 1327 O SER A 91 -10.485 14.890 -4.057 1.00 0.00 O ATOM 1328 CB SER A 91 -13.582 15.430 -3.860 1.00 0.00 C ATOM 1329 OG SER A 91 -13.072 15.778 -5.135 1.00 0.00 O ATOM 0 H SER A 91 -11.731 17.277 -3.411 1.00 0.00 H new ATOM 0 HA SER A 91 -12.872 15.024 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.057 14.450 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.352 16.143 -3.566 1.00 0.00 H new ATOM 0 HG SER A 91 -13.802 15.782 -5.789 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.344 13.263 -2.761 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.321 12.288 -3.118 1.00 0.00 C ATOM 1337 C ALA A 92 -10.732 10.881 -2.697 1.00 0.00 C ATOM 1338 O ALA A 92 -11.244 10.677 -1.596 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.990 12.663 -2.482 1.00 0.00 C ATOM 0 H ALA A 92 -12.044 12.919 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.209 12.296 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.235 11.926 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.682 13.647 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.098 12.684 -1.398 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.507 9.915 -3.580 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.858 8.528 -3.301 1.00 0.00 C ATOM 1347 C TYR A 93 -9.655 7.611 -3.498 1.00 0.00 C ATOM 1348 O TYR A 93 -8.871 7.790 -4.430 1.00 0.00 O ATOM 1349 CB TYR A 93 -12.008 8.079 -4.204 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.327 6.605 -4.091 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.377 5.977 -2.853 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.576 5.840 -5.224 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.666 4.631 -2.745 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -12.868 4.493 -5.126 1.00 0.00 C ATOM 1355 CZ TYR A 93 -12.912 3.893 -3.884 1.00 0.00 C ATOM 1356 OH TYR A 93 -13.201 2.552 -3.783 1.00 0.00 O ATOM 0 H TYR A 93 -10.083 10.067 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.175 8.463 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.900 8.655 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.757 8.309 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.186 6.552 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.541 6.306 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.699 4.159 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.061 3.913 -6.016 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.754 2.066 -4.507 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.516 6.629 -2.614 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.410 5.683 -2.690 1.00 0.00 C ATOM 1368 C ILE A 94 -8.919 4.248 -2.782 1.00 0.00 C ATOM 1369 O ILE A 94 -9.752 3.823 -1.983 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.476 5.808 -1.472 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -7.081 7.269 -1.252 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.240 4.941 -1.660 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -6.436 7.909 -2.462 1.00 0.00 C ATOM 0 H ILE A 94 -10.156 6.468 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.849 5.926 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 94 -8.009 5.459 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.969 7.840 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.392 7.328 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.590 5.041 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.540 3.899 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.703 5.261 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -6.182 8.944 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.530 7.362 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -7.131 7.882 -3.302 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.410 3.507 -3.762 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.813 2.120 -3.957 1.00 0.00 C ATOM 1387 C GLU A 95 -7.657 1.170 -3.656 1.00 0.00 C ATOM 1388 O GLU A 95 -6.519 1.412 -4.059 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.305 1.905 -5.390 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.719 0.472 -5.683 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.146 0.180 -5.261 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.059 0.899 -5.718 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.349 -0.769 -4.475 1.00 0.00 O ATOM 0 H GLU A 95 -7.719 3.844 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.627 1.904 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.152 2.565 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.516 2.195 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.613 0.278 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.044 -0.210 -5.166 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.958 0.088 -2.945 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.945 -0.899 -2.590 1.00 0.00 C ATOM 1402 C VAL A 96 -7.222 -2.238 -3.265 1.00 0.00 C ATOM 1403 O VAL A 96 -8.295 -2.816 -3.101 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.877 -1.110 -1.065 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.826 -2.154 -0.717 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.588 0.205 -0.358 1.00 0.00 C ATOM 0 H VAL A 96 -8.895 -0.127 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.988 -0.510 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.845 -1.475 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.792 -2.290 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.081 -3.100 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.851 -1.821 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.543 0.037 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.633 0.602 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.380 0.920 -0.581 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.245 -2.724 -4.025 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.384 -3.995 -4.726 1.00 0.00 C ATOM 1418 C GLN A 97 -5.284 -4.967 -4.313 1.00 0.00 C ATOM 1419 O GLN A 97 -4.108 -4.607 -4.273 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.345 -3.774 -6.239 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.677 -3.334 -6.824 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.643 -3.226 -8.336 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.211 -4.150 -9.026 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.100 -2.094 -8.859 1.00 0.00 N ATOM 0 H GLN A 97 -5.350 -2.257 -4.171 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.347 -4.428 -4.454 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.591 -3.022 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.032 -4.698 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.450 -4.044 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.954 -2.369 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.449 -1.355 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.102 -1.964 -9.871 1.00 0.00 H new ATOM 1433 N GLU A 98 -5.675 -6.200 -4.007 1.00 0.00 N ATOM 1434 CA GLU A 98 -4.721 -7.223 -3.596 1.00 0.00 C ATOM 1435 C GLU A 98 -3.960 -7.772 -4.800 1.00 0.00 C ATOM 1436 O GLU A 98 -4.529 -7.960 -5.875 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.441 -8.362 -2.872 1.00 0.00 C ATOM 1438 CG GLU A 98 -4.533 -9.178 -1.966 1.00 0.00 C ATOM 1439 CD GLU A 98 -5.302 -9.955 -0.915 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -5.974 -10.942 -1.282 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -5.233 -9.576 0.272 1.00 0.00 O ATOM 0 H GLU A 98 -6.645 -6.514 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.006 -6.763 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.255 -7.946 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.892 -9.024 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.951 -9.872 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.824 -8.512 -1.474 1.00 0.00 H new