USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 77 GLN : amide:sc= 1.07 K(o=2,f=-1.9!) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.946 K(o=2,f=-2.4) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 138:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 38 TYR OH : rot 15:sc= 1.11 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.4!) USER MOD Single : A 34 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.029) USER MOD Single : A 36 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.4!) USER MOD Single : A 39 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 150:sc= -0.541 USER MOD Single : A 50 THR OG1 : rot 75:sc= -0.39 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.24) USER MOD Single : A 59 SER OG : rot -44:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 2.48 (180deg=2.35) USER MOD Single : A 72 SER OG : rot 180:sc=0.000147 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.209 USER MOD Single : A 86 HIS : no HE2:sc= 0.602 K(o=0.6,f=-3.3!) USER MOD Single : A 91 MET CE :methyl -140:sc=-0.00468 (180deg=-1.03) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 108 SER OG : rot -40:sc= 0.888 USER MOD Single : A 119 LYS NZ :NH3+ 150:sc= 1.26 (180deg=1.17) USER MOD Single : A 120 MET CE :methyl -152:sc= -0.0413 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.758 9.942 0.965 1.00 0.00 N ATOM 42 CA GLN A 30 6.794 8.988 1.356 1.00 0.00 C ATOM 43 C GLN A 30 7.284 8.174 0.160 1.00 0.00 C ATOM 44 O GLN A 30 6.490 7.593 -0.582 1.00 0.00 O ATOM 45 CB GLN A 30 6.269 8.051 2.447 1.00 0.00 C ATOM 46 CG GLN A 30 7.011 8.173 3.769 1.00 0.00 C ATOM 47 CD GLN A 30 6.188 8.862 4.842 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.625 8.214 5.721 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.109 10.182 4.777 1.00 0.00 N ATOM 0 HA GLN A 30 7.638 9.556 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.212 8.259 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.340 7.022 2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.293 7.179 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.935 8.730 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.590 10.686 4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.567 10.695 5.472 1.00 0.00 H new ATOM 58 N LYS A 31 8.599 8.136 -0.025 1.00 0.00 N ATOM 59 CA LYS A 31 9.199 7.388 -1.124 1.00 0.00 C ATOM 60 C LYS A 31 9.538 5.964 -0.689 1.00 0.00 C ATOM 61 O LYS A 31 10.188 5.757 0.337 1.00 0.00 O ATOM 62 CB LYS A 31 10.461 8.099 -1.620 1.00 0.00 C ATOM 63 CG LYS A 31 10.771 7.841 -3.085 1.00 0.00 C ATOM 64 CD LYS A 31 11.910 8.719 -3.578 1.00 0.00 C ATOM 65 CE LYS A 31 11.396 9.899 -4.387 1.00 0.00 C ATOM 66 NZ LYS A 31 12.483 10.861 -4.722 1.00 0.00 N ATOM 0 H LYS A 31 9.271 8.616 0.573 1.00 0.00 H new ATOM 0 HA LYS A 31 8.476 7.337 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.348 9.172 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.310 7.778 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.033 6.792 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.880 8.028 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.484 9.083 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.589 8.126 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.937 9.536 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.617 10.413 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.090 11.650 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.905 11.228 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.214 10.378 -5.282 1.00 0.00 H new ATOM 80 N ALA A 32 9.085 4.988 -1.468 1.00 0.00 N ATOM 81 CA ALA A 32 9.344 3.583 -1.163 1.00 0.00 C ATOM 82 C ALA A 32 10.803 3.219 -1.436 1.00 0.00 C ATOM 83 O ALA A 32 11.454 3.818 -2.294 1.00 0.00 O ATOM 84 CB ALA A 32 8.414 2.692 -1.971 1.00 0.00 C ATOM 0 H ALA A 32 8.537 5.142 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 32 9.153 3.424 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.616 1.647 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.379 2.926 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.580 2.863 -3.035 1.00 0.00 H new ATOM 90 N GLN A 33 11.312 2.227 -0.713 1.00 0.00 N ATOM 91 CA GLN A 33 12.699 1.804 -0.881 1.00 0.00 C ATOM 92 C GLN A 33 12.854 0.841 -2.059 1.00 0.00 C ATOM 93 O GLN A 33 11.995 -0.009 -2.307 1.00 0.00 O ATOM 94 CB GLN A 33 13.232 1.168 0.410 1.00 0.00 C ATOM 95 CG GLN A 33 12.642 -0.194 0.739 1.00 0.00 C ATOM 96 CD GLN A 33 13.458 -0.945 1.777 1.00 0.00 C ATOM 97 OE1 GLN A 33 14.679 -0.834 1.822 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.788 -1.715 2.618 1.00 0.00 N ATOM 0 H GLN A 33 10.790 1.704 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 33 13.290 2.693 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.315 1.070 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.034 1.845 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.623 -0.066 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.581 -0.790 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.772 -1.782 2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.287 -2.242 3.335 1.00 0.00 H new ATOM 107 N GLN A 34 13.952 0.995 -2.790 1.00 0.00 N ATOM 108 CA GLN A 34 14.231 0.145 -3.943 1.00 0.00 C ATOM 109 C GLN A 34 15.137 -1.021 -3.551 1.00 0.00 C ATOM 110 O GLN A 34 16.286 -0.824 -3.154 1.00 0.00 O ATOM 111 CB GLN A 34 14.884 0.963 -5.060 1.00 0.00 C ATOM 112 CG GLN A 34 13.987 2.058 -5.618 1.00 0.00 C ATOM 113 CD GLN A 34 14.771 3.178 -6.274 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.581 3.844 -5.637 1.00 0.00 O ATOM 115 NE2 GLN A 34 14.533 3.394 -7.557 1.00 0.00 N ATOM 0 H GLN A 34 14.665 1.701 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 34 13.285 -0.259 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.801 1.414 -4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.171 0.292 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.302 1.625 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.378 2.469 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.852 2.819 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.031 4.135 -8.050 1.00 0.00 H new ATOM 124 N LYS A 35 14.608 -2.232 -3.659 1.00 0.00 N ATOM 125 CA LYS A 35 15.359 -3.436 -3.315 1.00 0.00 C ATOM 126 C LYS A 35 16.006 -4.062 -4.558 1.00 0.00 C ATOM 127 O LYS A 35 16.327 -3.367 -5.523 1.00 0.00 O ATOM 128 CB LYS A 35 14.436 -4.448 -2.627 1.00 0.00 C ATOM 129 CG LYS A 35 13.573 -3.843 -1.529 1.00 0.00 C ATOM 130 CD LYS A 35 14.177 -4.074 -0.151 1.00 0.00 C ATOM 131 CE LYS A 35 13.363 -5.076 0.655 1.00 0.00 C ATOM 132 NZ LYS A 35 13.957 -6.441 0.607 1.00 0.00 N ATOM 0 H LYS A 35 13.657 -2.409 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 35 16.158 -3.156 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.788 -4.903 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.042 -5.248 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.460 -2.773 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.575 -4.280 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.200 -4.436 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.228 -3.128 0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.301 -4.743 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.344 -5.110 0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.917 -6.871 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.422 -7.029 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.948 -6.378 0.297 1.00 0.00 H new ATOM 146 N ASN A 36 16.185 -5.380 -4.535 1.00 0.00 N ATOM 147 CA ASN A 36 16.806 -6.091 -5.652 1.00 0.00 C ATOM 148 C ASN A 36 15.802 -6.408 -6.767 1.00 0.00 C ATOM 149 O ASN A 36 15.323 -7.537 -6.884 1.00 0.00 O ATOM 150 CB ASN A 36 17.457 -7.384 -5.155 1.00 0.00 C ATOM 151 CG ASN A 36 18.902 -7.511 -5.594 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.333 -6.868 -6.545 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.662 -8.345 -4.902 1.00 0.00 N ATOM 0 H ASN A 36 15.909 -5.978 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 36 17.567 -5.433 -6.072 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.407 -7.417 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.891 -8.238 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.642 -8.470 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.267 -8.863 -4.117 1.00 0.00 H new ATOM 160 N GLY A 37 15.481 -5.402 -7.578 1.00 0.00 N ATOM 161 CA GLY A 37 14.555 -5.599 -8.686 1.00 0.00 C ATOM 162 C GLY A 37 13.108 -5.264 -8.354 1.00 0.00 C ATOM 163 O GLY A 37 12.251 -5.274 -9.234 1.00 0.00 O ATOM 0 H GLY A 37 15.845 -4.453 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.875 -4.984 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.611 -6.638 -9.012 1.00 0.00 H new ATOM 167 N TYR A 38 12.832 -4.964 -7.088 1.00 0.00 N ATOM 168 CA TYR A 38 11.474 -4.630 -6.656 1.00 0.00 C ATOM 169 C TYR A 38 11.490 -3.542 -5.586 1.00 0.00 C ATOM 170 O TYR A 38 12.518 -3.291 -4.964 1.00 0.00 O ATOM 171 CB TYR A 38 10.756 -5.885 -6.130 1.00 0.00 C ATOM 172 CG TYR A 38 11.339 -6.458 -4.852 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.460 -7.279 -4.882 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.758 -6.186 -3.618 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.987 -7.808 -3.719 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.280 -6.713 -2.452 1.00 0.00 C ATOM 177 CZ TYR A 38 12.393 -7.523 -2.508 1.00 0.00 C ATOM 178 OH TYR A 38 12.916 -8.050 -1.348 1.00 0.00 O ATOM 0 H TYR A 38 13.528 -4.945 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 38 10.929 -4.248 -7.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.707 -5.642 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.783 -6.653 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.927 -7.507 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.885 -5.553 -3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.860 -8.442 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.818 -6.491 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 38 13.818 -8.392 -1.522 1.00 0.00 H new ATOM 188 N GLN A 39 10.351 -2.891 -5.377 1.00 0.00 N ATOM 189 CA GLN A 39 10.257 -1.835 -4.367 1.00 0.00 C ATOM 190 C GLN A 39 9.400 -2.280 -3.186 1.00 0.00 C ATOM 191 O GLN A 39 8.535 -3.148 -3.321 1.00 0.00 O ATOM 192 CB GLN A 39 9.688 -0.542 -4.957 1.00 0.00 C ATOM 193 CG GLN A 39 9.897 -0.393 -6.458 1.00 0.00 C ATOM 194 CD GLN A 39 10.607 0.899 -6.824 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.513 0.910 -7.652 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.199 1.998 -6.208 1.00 0.00 N ATOM 0 H GLN A 39 9.486 -3.071 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 39 11.270 -1.639 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.620 -0.499 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.148 0.307 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.478 -1.239 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.930 -0.427 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.443 1.949 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.641 2.893 -6.416 1.00 0.00 H new ATOM 205 N GLU A 40 9.634 -1.668 -2.032 1.00 0.00 N ATOM 206 CA GLU A 40 8.897 -2.011 -0.819 1.00 0.00 C ATOM 207 C GLU A 40 8.674 -0.787 0.073 1.00 0.00 C ATOM 208 O GLU A 40 9.553 0.063 0.216 1.00 0.00 O ATOM 209 CB GLU A 40 9.658 -3.089 -0.039 1.00 0.00 C ATOM 210 CG GLU A 40 8.864 -3.708 1.102 1.00 0.00 C ATOM 211 CD GLU A 40 9.743 -4.107 2.273 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.295 -3.201 2.935 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.878 -5.324 2.530 1.00 0.00 O ATOM 0 H GLU A 40 10.328 -0.931 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 40 7.919 -2.389 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.957 -3.878 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.573 -2.653 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.111 -2.998 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.332 -4.586 0.736 1.00 0.00 H new ATOM 220 N ILE A 41 7.487 -0.704 0.661 1.00 0.00 N ATOM 221 CA ILE A 41 7.147 0.402 1.554 1.00 0.00 C ATOM 222 C ILE A 41 6.303 -0.091 2.733 1.00 0.00 C ATOM 223 O ILE A 41 5.319 -0.808 2.552 1.00 0.00 O ATOM 224 CB ILE A 41 6.395 1.540 0.814 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.813 2.546 1.810 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.289 0.979 -0.067 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.420 3.931 1.714 1.00 0.00 C ATOM 0 H ILE A 41 6.741 -1.389 0.537 1.00 0.00 H new ATOM 0 HA ILE A 41 8.088 0.807 1.927 1.00 0.00 H new ATOM 0 HB ILE A 41 7.116 2.055 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.737 2.620 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.959 2.166 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.778 1.797 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.720 0.306 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.576 0.432 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.954 4.584 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.491 3.873 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.251 4.334 0.715 1.00 0.00 H new ATOM 239 N ARG A 42 6.709 0.282 3.942 1.00 0.00 N ATOM 240 CA ARG A 42 5.988 -0.112 5.144 1.00 0.00 C ATOM 241 C ARG A 42 4.941 0.933 5.525 1.00 0.00 C ATOM 242 O ARG A 42 5.271 2.046 5.937 1.00 0.00 O ATOM 243 CB ARG A 42 6.958 -0.333 6.304 1.00 0.00 C ATOM 244 CG ARG A 42 6.690 -1.612 7.077 1.00 0.00 C ATOM 245 CD ARG A 42 7.562 -1.707 8.321 1.00 0.00 C ATOM 246 NE ARG A 42 6.811 -1.400 9.538 1.00 0.00 N ATOM 247 CZ ARG A 42 6.457 -2.304 10.438 1.00 0.00 C ATOM 248 NH1 ARG A 42 6.776 -3.566 10.279 1.00 0.00 N ATOM 249 NH2 ARG A 42 5.780 -1.942 11.499 1.00 0.00 N ATOM 0 H ARG A 42 7.534 0.857 4.114 1.00 0.00 H new ATOM 0 HA ARG A 42 5.474 -1.049 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.977 -0.358 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.897 0.515 6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.639 -1.651 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.877 -2.472 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.980 -2.711 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.402 -1.018 8.229 1.00 0.00 H new ATOM 0 HE ARG A 42 6.544 -0.430 9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.302 -3.859 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.498 -4.254 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.525 -0.963 11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.507 -2.639 12.192 1.00 0.00 H new ATOM 263 N VAL A 43 3.678 0.562 5.381 1.00 0.00 N ATOM 264 CA VAL A 43 2.568 1.450 5.699 1.00 0.00 C ATOM 265 C VAL A 43 1.979 1.109 7.067 1.00 0.00 C ATOM 266 O VAL A 43 1.265 0.115 7.225 1.00 0.00 O ATOM 267 CB VAL A 43 1.470 1.374 4.613 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.351 2.365 4.890 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.071 1.633 3.242 1.00 0.00 C ATOM 0 H VAL A 43 3.394 -0.357 5.043 1.00 0.00 H new ATOM 0 HA VAL A 43 2.953 2.469 5.728 1.00 0.00 H new ATOM 0 HB VAL A 43 1.044 0.371 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.405 2.287 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.101 2.142 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.756 3.377 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.289 1.577 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.523 2.625 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.834 0.883 3.032 1.00 0.00 H new ATOM 279 N GLU A 44 2.304 1.933 8.057 1.00 0.00 N ATOM 280 CA GLU A 44 1.814 1.734 9.418 1.00 0.00 C ATOM 281 C GLU A 44 0.325 2.073 9.509 1.00 0.00 C ATOM 282 O GLU A 44 -0.074 3.227 9.324 1.00 0.00 O ATOM 283 CB GLU A 44 2.618 2.584 10.403 1.00 0.00 C ATOM 284 CG GLU A 44 2.710 1.987 11.798 1.00 0.00 C ATOM 285 CD GLU A 44 4.136 1.667 12.209 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.671 0.630 11.755 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.722 2.454 12.981 1.00 0.00 O ATOM 0 H GLU A 44 2.907 2.748 7.943 1.00 0.00 H new ATOM 0 HA GLU A 44 1.943 0.684 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.625 2.723 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.163 3.572 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.278 2.684 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.112 1.076 11.839 1.00 0.00 H new ATOM 294 N VAL A 45 -0.482 1.059 9.802 1.00 0.00 N ATOM 295 CA VAL A 45 -1.927 1.213 9.897 1.00 0.00 C ATOM 296 C VAL A 45 -2.377 1.387 11.351 1.00 0.00 C ATOM 297 O VAL A 45 -2.497 0.420 12.109 1.00 0.00 O ATOM 298 CB VAL A 45 -2.643 -0.003 9.258 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.128 -0.010 9.568 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.419 -0.017 7.754 1.00 0.00 C ATOM 0 H VAL A 45 -0.153 0.110 9.980 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.201 2.115 9.350 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.211 -0.904 9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.593 -0.879 9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.274 -0.056 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.585 0.899 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.928 -0.877 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.817 0.899 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.351 -0.084 7.546 1.00 0.00 H new ATOM 310 N MET A 46 -2.600 2.637 11.736 1.00 0.00 N ATOM 311 CA MET A 46 -3.053 2.961 13.089 1.00 0.00 C ATOM 312 C MET A 46 -3.990 4.167 13.065 1.00 0.00 C ATOM 313 O MET A 46 -3.558 5.314 13.181 1.00 0.00 O ATOM 314 CB MET A 46 -1.860 3.229 14.015 1.00 0.00 C ATOM 315 CG MET A 46 -0.713 3.967 13.346 1.00 0.00 C ATOM 316 SD MET A 46 0.813 3.895 14.303 1.00 0.00 S ATOM 317 CE MET A 46 0.518 5.181 15.514 1.00 0.00 C ATOM 0 H MET A 46 -2.475 3.448 11.130 1.00 0.00 H new ATOM 0 HA MET A 46 -3.601 2.103 13.478 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.201 3.810 14.872 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.491 2.278 14.400 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.538 3.540 12.359 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.995 5.009 13.197 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.377 5.257 16.181 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.369 6.133 15.005 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.371 4.937 16.095 1.00 0.00 H new ATOM 327 N GLY A 47 -5.283 3.897 12.907 1.00 0.00 N ATOM 328 CA GLY A 47 -6.268 4.970 12.834 1.00 0.00 C ATOM 329 C GLY A 47 -6.314 5.594 11.448 1.00 0.00 C ATOM 330 O GLY A 47 -7.100 6.503 11.184 1.00 0.00 O ATOM 0 H GLY A 47 -5.669 2.956 12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.253 4.579 13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.027 5.736 13.571 1.00 0.00 H new ATOM 334 N GLY A 48 -5.460 5.084 10.567 1.00 0.00 N ATOM 335 CA GLY A 48 -5.373 5.566 9.205 1.00 0.00 C ATOM 336 C GLY A 48 -4.065 5.150 8.558 1.00 0.00 C ATOM 337 O GLY A 48 -3.298 4.383 9.144 1.00 0.00 O ATOM 0 H GLY A 48 -4.812 4.326 10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.209 5.176 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.457 6.653 9.195 1.00 0.00 H new ATOM 341 N TYR A 49 -3.806 5.646 7.357 1.00 0.00 N ATOM 342 CA TYR A 49 -2.570 5.320 6.648 1.00 0.00 C ATOM 343 C TYR A 49 -1.481 6.333 6.995 1.00 0.00 C ATOM 344 O TYR A 49 -1.679 7.537 6.838 1.00 0.00 O ATOM 345 CB TYR A 49 -2.813 5.304 5.134 1.00 0.00 C ATOM 346 CG TYR A 49 -3.958 4.409 4.708 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.970 3.056 5.028 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.030 4.920 3.988 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.017 2.241 4.642 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.081 4.112 3.599 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.069 2.773 3.928 1.00 0.00 C ATOM 352 OH TYR A 49 -7.117 1.966 3.543 1.00 0.00 O ATOM 0 H TYR A 49 -4.431 6.274 6.851 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.241 4.329 6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.014 6.321 4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.902 4.976 4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.148 2.635 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.042 5.968 3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.011 1.192 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.907 4.527 3.041 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.939 2.497 3.498 1.00 0.00 H new ATOM 362 N THR A 50 -0.335 5.844 7.477 1.00 0.00 N ATOM 363 CA THR A 50 0.773 6.730 7.847 1.00 0.00 C ATOM 364 C THR A 50 1.311 7.495 6.623 1.00 0.00 C ATOM 365 O THR A 50 1.225 8.723 6.586 1.00 0.00 O ATOM 366 CB THR A 50 1.905 5.969 8.577 1.00 0.00 C ATOM 367 OG1 THR A 50 1.439 5.527 9.857 1.00 0.00 O ATOM 368 CG2 THR A 50 3.136 6.849 8.760 1.00 0.00 C ATOM 0 H THR A 50 -0.151 4.851 7.619 1.00 0.00 H new ATOM 0 HA THR A 50 0.376 7.463 8.550 1.00 0.00 H new ATOM 0 HB THR A 50 2.186 5.111 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.844 4.757 9.741 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.913 6.285 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.505 7.166 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.872 7.726 9.351 1.00 0.00 H new ATOM 376 N PRO A 51 1.884 6.809 5.601 1.00 0.00 N ATOM 377 CA PRO A 51 2.358 7.494 4.398 1.00 0.00 C ATOM 378 C PRO A 51 1.188 7.895 3.496 1.00 0.00 C ATOM 379 O PRO A 51 0.682 7.082 2.724 1.00 0.00 O ATOM 380 CB PRO A 51 3.238 6.448 3.714 1.00 0.00 C ATOM 381 CG PRO A 51 2.676 5.141 4.149 1.00 0.00 C ATOM 382 CD PRO A 51 2.150 5.355 5.542 1.00 0.00 C ATOM 0 HA PRO A 51 2.890 8.419 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.206 6.552 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.281 6.550 4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.881 4.816 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.441 4.364 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.244 4.775 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.877 5.051 6.295 1.00 0.00 H new ATOM 390 N GLU A 52 0.756 9.152 3.620 1.00 0.00 N ATOM 391 CA GLU A 52 -0.369 9.677 2.834 1.00 0.00 C ATOM 392 C GLU A 52 -0.211 9.403 1.333 1.00 0.00 C ATOM 393 O GLU A 52 -1.171 9.017 0.662 1.00 0.00 O ATOM 394 CB GLU A 52 -0.540 11.183 3.077 1.00 0.00 C ATOM 395 CG GLU A 52 0.755 11.979 3.006 1.00 0.00 C ATOM 396 CD GLU A 52 1.092 12.668 4.314 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.658 13.823 4.506 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.788 12.049 5.146 1.00 0.00 O ATOM 0 H GLU A 52 1.169 9.830 4.260 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.263 9.152 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.238 11.581 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.991 11.332 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.572 11.312 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.674 12.727 2.217 1.00 0.00 H new ATOM 405 N LEU A 53 0.996 9.608 0.814 1.00 0.00 N ATOM 406 CA LEU A 53 1.267 9.374 -0.602 1.00 0.00 C ATOM 407 C LEU A 53 2.545 8.557 -0.778 1.00 0.00 C ATOM 408 O LEU A 53 3.626 8.992 -0.385 1.00 0.00 O ATOM 409 CB LEU A 53 1.395 10.700 -1.366 1.00 0.00 C ATOM 410 CG LEU A 53 1.091 11.969 -0.567 1.00 0.00 C ATOM 411 CD1 LEU A 53 1.932 13.129 -1.075 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.390 12.315 -0.654 1.00 0.00 C ATOM 0 H LEU A 53 1.800 9.935 1.350 1.00 0.00 H new ATOM 0 HA LEU A 53 0.426 8.814 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.410 10.775 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.725 10.667 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 53 1.343 11.785 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.704 14.024 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.989 12.887 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.706 13.309 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.587 13.220 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.665 12.480 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.980 11.493 -0.249 1.00 0.00 H new ATOM 424 N ILE A 54 2.419 7.373 -1.373 1.00 0.00 N ATOM 425 CA ILE A 54 3.579 6.508 -1.598 1.00 0.00 C ATOM 426 C ILE A 54 4.112 6.664 -3.023 1.00 0.00 C ATOM 427 O ILE A 54 3.371 6.527 -3.998 1.00 0.00 O ATOM 428 CB ILE A 54 3.265 5.018 -1.328 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.931 4.610 -1.964 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.254 4.738 0.167 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.528 3.180 -1.670 1.00 0.00 C ATOM 0 H ILE A 54 1.534 6.991 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 54 4.341 6.827 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 54 4.052 4.419 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.149 5.279 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.997 4.745 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.031 3.685 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.231 4.976 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.492 5.353 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.575 2.964 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.290 2.501 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.428 3.044 -0.593 1.00 0.00 H new ATOM 443 N VAL A 55 5.401 6.966 -3.137 1.00 0.00 N ATOM 444 CA VAL A 55 6.031 7.145 -4.443 1.00 0.00 C ATOM 445 C VAL A 55 6.759 5.874 -4.890 1.00 0.00 C ATOM 446 O VAL A 55 7.595 5.332 -4.162 1.00 0.00 O ATOM 447 CB VAL A 55 7.021 8.332 -4.429 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.722 8.479 -5.773 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.302 9.621 -4.059 1.00 0.00 C ATOM 0 H VAL A 55 6.030 7.092 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 55 5.234 7.360 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 55 7.781 8.128 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.412 9.322 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.276 7.567 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.981 8.654 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.014 10.446 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.518 9.823 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.858 9.519 -3.069 1.00 0.00 H new ATOM 459 N LEU A 56 6.431 5.409 -6.095 1.00 0.00 N ATOM 460 CA LEU A 56 7.039 4.199 -6.651 1.00 0.00 C ATOM 461 C LEU A 56 7.432 4.392 -8.120 1.00 0.00 C ATOM 462 O LEU A 56 7.089 5.400 -8.741 1.00 0.00 O ATOM 463 CB LEU A 56 6.068 3.019 -6.524 1.00 0.00 C ATOM 464 CG LEU A 56 5.737 2.604 -5.089 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.261 2.272 -4.959 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.587 1.419 -4.668 1.00 0.00 C ATOM 0 H LEU A 56 5.746 5.853 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 56 7.946 3.990 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.140 3.275 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.493 2.161 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 56 5.962 3.441 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.043 1.979 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.667 3.148 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.012 1.451 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.338 1.138 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.393 0.577 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.641 1.690 -4.723 1.00 0.00 H new ATOM 478 N LYS A 57 8.153 3.417 -8.675 1.00 0.00 N ATOM 479 CA LYS A 57 8.584 3.478 -10.071 1.00 0.00 C ATOM 480 C LYS A 57 7.587 2.761 -10.984 1.00 0.00 C ATOM 481 O LYS A 57 6.637 2.139 -10.511 1.00 0.00 O ATOM 482 CB LYS A 57 9.977 2.864 -10.225 1.00 0.00 C ATOM 483 CG LYS A 57 11.068 3.886 -10.493 1.00 0.00 C ATOM 484 CD LYS A 57 12.427 3.222 -10.646 1.00 0.00 C ATOM 485 CE LYS A 57 13.512 4.239 -10.968 1.00 0.00 C ATOM 486 NZ LYS A 57 14.580 3.657 -11.827 1.00 0.00 N ATOM 0 H LYS A 57 8.450 2.577 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 57 8.625 4.526 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.223 2.312 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.958 2.143 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.831 4.444 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.103 4.605 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.682 2.696 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.381 2.475 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.067 5.097 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.952 4.607 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.300 4.381 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.022 2.854 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.165 3.329 -12.722 1.00 0.00 H new ATOM 500 N LYS A 58 7.811 2.843 -12.294 1.00 0.00 N ATOM 501 CA LYS A 58 6.916 2.210 -13.264 1.00 0.00 C ATOM 502 C LYS A 58 7.542 0.960 -13.887 1.00 0.00 C ATOM 503 O LYS A 58 8.759 0.878 -14.050 1.00 0.00 O ATOM 504 CB LYS A 58 6.547 3.212 -14.358 1.00 0.00 C ATOM 505 CG LYS A 58 5.457 2.724 -15.297 1.00 0.00 C ATOM 506 CD LYS A 58 5.228 3.698 -16.441 1.00 0.00 C ATOM 507 CE LYS A 58 6.238 3.497 -17.559 1.00 0.00 C ATOM 508 NZ LYS A 58 7.012 4.740 -17.841 1.00 0.00 N ATOM 0 H LYS A 58 8.600 3.339 -12.708 1.00 0.00 H new ATOM 0 HA LYS A 58 6.017 1.897 -12.733 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.221 4.141 -13.891 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.438 3.443 -14.941 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.731 1.748 -15.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.529 2.590 -14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.219 3.568 -16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.296 4.720 -16.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.925 2.696 -17.287 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.719 3.179 -18.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.603 4.597 -18.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.354 5.528 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.619 4.963 -17.026 1.00 0.00 H new ATOM 522 N SER A 59 6.684 -0.016 -14.219 1.00 0.00 N ATOM 523 CA SER A 59 7.104 -1.287 -14.833 1.00 0.00 C ATOM 524 C SER A 59 7.975 -2.113 -13.882 1.00 0.00 C ATOM 525 O SER A 59 8.701 -3.015 -14.307 1.00 0.00 O ATOM 526 CB SER A 59 7.846 -1.037 -16.153 1.00 0.00 C ATOM 527 OG SER A 59 8.214 -2.258 -16.772 1.00 0.00 O ATOM 0 H SER A 59 5.677 0.053 -14.070 1.00 0.00 H new ATOM 0 HA SER A 59 6.201 -1.860 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.212 -0.461 -16.827 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.737 -0.438 -15.965 1.00 0.00 H new ATOM 0 HG SER A 59 8.575 -2.871 -16.098 1.00 0.00 H new ATOM 533 N VAL A 60 7.888 -1.807 -12.595 1.00 0.00 N ATOM 534 CA VAL A 60 8.664 -2.511 -11.582 1.00 0.00 C ATOM 535 C VAL A 60 7.746 -3.115 -10.510 1.00 0.00 C ATOM 536 O VAL A 60 6.786 -2.476 -10.076 1.00 0.00 O ATOM 537 CB VAL A 60 9.702 -1.559 -10.926 1.00 0.00 C ATOM 538 CG1 VAL A 60 9.029 -0.559 -10.003 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.768 -2.339 -10.172 1.00 0.00 C ATOM 0 H VAL A 60 7.285 -1.072 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 60 9.199 -3.323 -12.074 1.00 0.00 H new ATOM 0 HB VAL A 60 10.187 -1.007 -11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.783 0.092 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.320 0.042 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.500 -1.092 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.479 -1.644 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.298 -2.933 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.292 -3.000 -10.863 1.00 0.00 H new ATOM 549 N PRO A 61 7.994 -4.373 -10.103 1.00 0.00 N ATOM 550 CA PRO A 61 7.194 -5.028 -9.063 1.00 0.00 C ATOM 551 C PRO A 61 7.326 -4.310 -7.721 1.00 0.00 C ATOM 552 O PRO A 61 8.427 -4.138 -7.200 1.00 0.00 O ATOM 553 CB PRO A 61 7.780 -6.444 -8.982 1.00 0.00 C ATOM 554 CG PRO A 61 9.134 -6.344 -9.600 1.00 0.00 C ATOM 555 CD PRO A 61 9.044 -5.257 -10.634 1.00 0.00 C ATOM 0 HA PRO A 61 6.129 -5.022 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.843 -6.785 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.155 -7.160 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.888 -6.106 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.425 -7.291 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.992 -4.732 -10.749 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.778 -5.654 -11.614 1.00 0.00 H new ATOM 563 N ALA A 62 6.205 -3.871 -7.169 1.00 0.00 N ATOM 564 CA ALA A 62 6.219 -3.164 -5.895 1.00 0.00 C ATOM 565 C ALA A 62 5.320 -3.838 -4.866 1.00 0.00 C ATOM 566 O ALA A 62 4.221 -4.291 -5.186 1.00 0.00 O ATOM 567 CB ALA A 62 5.804 -1.717 -6.100 1.00 0.00 C ATOM 0 H ALA A 62 5.279 -3.990 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 62 7.237 -3.193 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.817 -1.196 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.499 -1.233 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.798 -1.683 -6.518 1.00 0.00 H new ATOM 573 N ARG A 63 5.791 -3.902 -3.626 1.00 0.00 N ATOM 574 CA ARG A 63 5.021 -4.522 -2.560 1.00 0.00 C ATOM 575 C ARG A 63 4.774 -3.544 -1.408 1.00 0.00 C ATOM 576 O ARG A 63 5.691 -2.897 -0.898 1.00 0.00 O ATOM 577 CB ARG A 63 5.711 -5.806 -2.074 1.00 0.00 C ATOM 578 CG ARG A 63 6.942 -5.579 -1.213 1.00 0.00 C ATOM 579 CD ARG A 63 7.839 -6.806 -1.195 1.00 0.00 C ATOM 580 NE ARG A 63 8.523 -6.957 0.086 1.00 0.00 N ATOM 581 CZ ARG A 63 8.452 -8.037 0.847 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.765 -9.087 0.464 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.076 -8.063 1.998 1.00 0.00 N ATOM 0 H ARG A 63 6.697 -3.534 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 63 4.045 -4.796 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.991 -6.396 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.996 -6.400 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.501 -4.723 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.636 -5.335 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.242 -7.696 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.576 -6.729 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 63 9.093 -6.178 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.276 -9.078 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.720 -9.912 1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.614 -7.253 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.024 -8.894 2.588 1.00 0.00 H new ATOM 597 N ILE A 64 3.510 -3.424 -1.026 1.00 0.00 N ATOM 598 CA ILE A 64 3.109 -2.534 0.059 1.00 0.00 C ATOM 599 C ILE A 64 2.866 -3.323 1.345 1.00 0.00 C ATOM 600 O ILE A 64 1.936 -4.124 1.423 1.00 0.00 O ATOM 601 CB ILE A 64 1.829 -1.744 -0.303 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.821 -1.363 -1.791 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.703 -0.506 0.569 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.802 -0.266 -2.154 1.00 0.00 C ATOM 0 H ILE A 64 2.738 -3.935 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 64 3.925 -1.828 0.215 1.00 0.00 H new ATOM 0 HB ILE A 64 0.969 -2.387 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.048 -2.249 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.816 -1.044 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.797 0.037 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.651 -0.803 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.570 0.136 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.734 -0.056 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.564 0.636 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.815 -0.588 -1.911 1.00 0.00 H new ATOM 616 N VAL A 65 3.706 -3.094 2.351 1.00 0.00 N ATOM 617 CA VAL A 65 3.589 -3.799 3.627 1.00 0.00 C ATOM 618 C VAL A 65 2.661 -3.062 4.591 1.00 0.00 C ATOM 619 O VAL A 65 3.022 -2.022 5.138 1.00 0.00 O ATOM 620 CB VAL A 65 4.968 -3.981 4.300 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.908 -5.072 5.360 1.00 0.00 C ATOM 622 CG2 VAL A 65 6.042 -4.295 3.268 1.00 0.00 C ATOM 0 H VAL A 65 4.476 -2.426 2.309 1.00 0.00 H new ATOM 0 HA VAL A 65 3.167 -4.779 3.402 1.00 0.00 H new ATOM 0 HB VAL A 65 5.232 -3.042 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.889 -5.185 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.177 -4.800 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.615 -6.014 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.002 -4.418 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.785 -5.216 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.109 -3.476 2.552 1.00 0.00 H new ATOM 632 N PHE A 66 1.467 -3.605 4.800 1.00 0.00 N ATOM 633 CA PHE A 66 0.496 -2.992 5.702 1.00 0.00 C ATOM 634 C PHE A 66 0.594 -3.585 7.108 1.00 0.00 C ATOM 635 O PHE A 66 0.297 -4.761 7.323 1.00 0.00 O ATOM 636 CB PHE A 66 -0.924 -3.166 5.156 1.00 0.00 C ATOM 637 CG PHE A 66 -1.207 -2.309 3.955 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.378 -0.942 4.091 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.291 -2.870 2.691 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.630 -0.149 2.989 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.541 -2.081 1.584 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.711 -0.718 1.734 1.00 0.00 C ATOM 0 H PHE A 66 1.147 -4.467 4.358 1.00 0.00 H new ATOM 0 HA PHE A 66 0.725 -1.928 5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.079 -4.212 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.640 -2.926 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.314 -0.491 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.160 -3.935 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.764 0.916 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.603 -2.529 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.907 -0.099 0.871 1.00 0.00 H new ATOM 652 N ASP A 67 1.020 -2.759 8.057 1.00 0.00 N ATOM 653 CA ASP A 67 1.159 -3.187 9.447 1.00 0.00 C ATOM 654 C ASP A 67 -0.047 -2.733 10.271 1.00 0.00 C ATOM 655 O ASP A 67 -0.156 -1.561 10.625 1.00 0.00 O ATOM 656 CB ASP A 67 2.454 -2.616 10.039 1.00 0.00 C ATOM 657 CG ASP A 67 2.621 -2.936 11.514 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.712 -4.135 11.856 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.665 -1.990 12.327 1.00 0.00 O ATOM 0 H ASP A 67 1.276 -1.786 7.890 1.00 0.00 H new ATOM 0 HA ASP A 67 1.204 -4.276 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.306 -3.014 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.463 -1.534 9.904 1.00 0.00 H new ATOM 664 N ARG A 68 -0.941 -3.668 10.582 1.00 0.00 N ATOM 665 CA ARG A 68 -2.138 -3.346 11.357 1.00 0.00 C ATOM 666 C ARG A 68 -1.824 -3.225 12.849 1.00 0.00 C ATOM 667 O ARG A 68 -1.806 -4.217 13.581 1.00 0.00 O ATOM 668 CB ARG A 68 -3.223 -4.397 11.129 1.00 0.00 C ATOM 669 CG ARG A 68 -4.510 -3.823 10.552 1.00 0.00 C ATOM 670 CD ARG A 68 -5.699 -4.072 11.465 1.00 0.00 C ATOM 671 NE ARG A 68 -6.481 -5.225 11.032 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.736 -5.439 11.379 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.367 -4.597 12.162 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.364 -6.496 10.931 1.00 0.00 N ATOM 0 H ARG A 68 -0.861 -4.648 10.312 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.504 -2.379 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.841 -5.162 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.446 -4.889 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.391 -2.751 10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.701 -4.269 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.348 -4.233 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.335 -3.187 11.483 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.030 -5.908 10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.888 -3.766 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.337 -4.773 12.424 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.883 -7.152 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.334 -6.664 11.198 1.00 0.00 H new ATOM 688 N LYS A 69 -1.584 -1.992 13.286 1.00 0.00 N ATOM 689 CA LYS A 69 -1.270 -1.709 14.685 1.00 0.00 C ATOM 690 C LYS A 69 -2.548 -1.465 15.491 1.00 0.00 C ATOM 691 O LYS A 69 -2.633 -1.822 16.668 1.00 0.00 O ATOM 692 CB LYS A 69 -0.346 -0.488 14.772 1.00 0.00 C ATOM 693 CG LYS A 69 0.110 -0.154 16.186 1.00 0.00 C ATOM 694 CD LYS A 69 -0.604 1.073 16.735 1.00 0.00 C ATOM 695 CE LYS A 69 -0.924 0.920 18.215 1.00 0.00 C ATOM 696 NZ LYS A 69 -2.233 0.240 18.434 1.00 0.00 N ATOM 0 H LYS A 69 -1.601 -1.167 12.687 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.762 -2.575 15.110 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.532 -0.665 14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.863 0.376 14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.077 -1.006 16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.186 0.020 16.189 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.020 1.954 16.586 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.526 1.238 16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.133 0.349 18.700 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.942 1.903 18.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.382 0.094 19.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.999 0.831 18.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.232 -0.680 17.949 1.00 0.00 H new ATOM 710 N ASP A 70 -3.537 -0.847 14.857 1.00 0.00 N ATOM 711 CA ASP A 70 -4.804 -0.562 15.523 1.00 0.00 C ATOM 712 C ASP A 70 -5.940 -1.406 14.932 1.00 0.00 C ATOM 713 O ASP A 70 -6.053 -1.545 13.713 1.00 0.00 O ATOM 714 CB ASP A 70 -5.133 0.931 15.425 1.00 0.00 C ATOM 715 CG ASP A 70 -5.419 1.546 16.780 1.00 0.00 C ATOM 716 OD1 ASP A 70 -4.489 1.600 17.617 1.00 0.00 O ATOM 717 OD2 ASP A 70 -6.571 1.971 17.009 1.00 0.00 O ATOM 0 H ASP A 70 -3.488 -0.534 13.887 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.703 -0.828 16.575 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.298 1.455 14.959 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.998 1.069 14.776 1.00 0.00 H new ATOM 722 N PRO A 71 -6.807 -1.969 15.799 1.00 0.00 N ATOM 723 CA PRO A 71 -7.934 -2.813 15.374 1.00 0.00 C ATOM 724 C PRO A 71 -9.150 -2.009 14.908 1.00 0.00 C ATOM 725 O PRO A 71 -10.293 -2.364 15.197 1.00 0.00 O ATOM 726 CB PRO A 71 -8.262 -3.583 16.649 1.00 0.00 C ATOM 727 CG PRO A 71 -7.948 -2.621 17.743 1.00 0.00 C ATOM 728 CD PRO A 71 -6.764 -1.820 17.266 1.00 0.00 C ATOM 0 HA PRO A 71 -7.679 -3.435 14.516 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.308 -3.887 16.673 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.664 -4.491 16.732 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.800 -1.973 17.949 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.716 -3.146 18.669 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.842 -0.775 17.564 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.830 -2.201 17.680 1.00 0.00 H new ATOM 736 N SER A 72 -8.894 -0.921 14.190 1.00 0.00 N ATOM 737 CA SER A 72 -9.962 -0.064 13.681 1.00 0.00 C ATOM 738 C SER A 72 -10.789 -0.786 12.612 1.00 0.00 C ATOM 739 O SER A 72 -10.235 -1.395 11.697 1.00 0.00 O ATOM 740 CB SER A 72 -9.371 1.222 13.095 1.00 0.00 C ATOM 741 OG SER A 72 -8.333 1.731 13.917 1.00 0.00 O ATOM 0 H SER A 72 -7.954 -0.610 13.946 1.00 0.00 H new ATOM 0 HA SER A 72 -10.619 0.185 14.514 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.983 1.025 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.156 1.971 12.990 1.00 0.00 H new ATOM 0 HG SER A 72 -7.973 2.551 13.519 1.00 0.00 H new ATOM 747 N PRO A 73 -12.132 -0.708 12.705 1.00 0.00 N ATOM 748 CA PRO A 73 -13.037 -1.367 11.744 1.00 0.00 C ATOM 749 C PRO A 73 -12.885 -0.827 10.322 1.00 0.00 C ATOM 750 O PRO A 73 -13.043 -1.562 9.348 1.00 0.00 O ATOM 751 CB PRO A 73 -14.434 -1.051 12.289 1.00 0.00 C ATOM 752 CG PRO A 73 -14.247 0.161 13.137 1.00 0.00 C ATOM 753 CD PRO A 73 -12.877 0.028 13.740 1.00 0.00 C ATOM 0 HA PRO A 73 -12.826 -2.433 11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.141 -0.863 11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.829 -1.884 12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.326 1.071 12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.012 0.219 13.912 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.430 1.001 13.945 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.902 -0.517 14.684 1.00 0.00 H new ATOM 761 N CYS A 74 -12.558 0.460 10.211 1.00 0.00 N ATOM 762 CA CYS A 74 -12.377 1.103 8.909 1.00 0.00 C ATOM 763 C CYS A 74 -11.035 0.725 8.277 1.00 0.00 C ATOM 764 O CYS A 74 -10.727 1.139 7.161 1.00 0.00 O ATOM 765 CB CYS A 74 -12.465 2.623 9.057 1.00 0.00 C ATOM 766 SG CYS A 74 -11.906 3.243 10.663 1.00 0.00 S ATOM 0 H CYS A 74 -12.413 1.079 11.008 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.173 0.751 8.253 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.869 3.089 8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.498 2.933 8.899 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.016 4.538 10.691 1.00 0.00 H new ATOM 772 N LEU A 75 -10.240 -0.059 9.000 1.00 0.00 N ATOM 773 CA LEU A 75 -8.933 -0.491 8.512 1.00 0.00 C ATOM 774 C LEU A 75 -8.840 -2.018 8.449 1.00 0.00 C ATOM 775 O LEU A 75 -7.753 -2.577 8.301 1.00 0.00 O ATOM 776 CB LEU A 75 -7.833 0.059 9.420 1.00 0.00 C ATOM 777 CG LEU A 75 -7.560 1.556 9.279 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.766 2.061 10.471 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.818 1.847 7.983 1.00 0.00 C ATOM 0 H LEU A 75 -10.478 -0.409 9.928 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.803 -0.102 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.101 -0.149 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.910 -0.483 9.215 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.516 2.080 9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.579 3.129 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.333 1.887 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.816 1.530 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.633 2.918 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.867 1.314 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.421 1.518 7.137 1.00 0.00 H new ATOM 791 N ASP A 76 -9.988 -2.687 8.555 1.00 0.00 N ATOM 792 CA ASP A 76 -10.037 -4.149 8.517 1.00 0.00 C ATOM 793 C ASP A 76 -9.733 -4.692 7.115 1.00 0.00 C ATOM 794 O ASP A 76 -9.013 -5.678 6.965 1.00 0.00 O ATOM 795 CB ASP A 76 -11.415 -4.635 8.980 1.00 0.00 C ATOM 796 CG ASP A 76 -11.378 -6.042 9.547 1.00 0.00 C ATOM 797 OD1 ASP A 76 -11.163 -6.185 10.771 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.563 -7.000 8.769 1.00 0.00 O ATOM 0 H ASP A 76 -10.898 -2.239 8.668 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.269 -4.527 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.801 -3.952 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.108 -4.604 8.139 1.00 0.00 H new ATOM 803 N GLN A 77 -10.281 -4.041 6.094 1.00 0.00 N ATOM 804 CA GLN A 77 -10.066 -4.471 4.716 1.00 0.00 C ATOM 805 C GLN A 77 -9.505 -3.341 3.856 1.00 0.00 C ATOM 806 O GLN A 77 -9.932 -2.193 3.965 1.00 0.00 O ATOM 807 CB GLN A 77 -11.381 -4.977 4.112 1.00 0.00 C ATOM 808 CG GLN A 77 -11.329 -6.433 3.673 1.00 0.00 C ATOM 809 CD GLN A 77 -12.366 -6.768 2.617 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.051 -5.891 2.097 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.487 -8.044 2.290 1.00 0.00 N ATOM 0 H GLN A 77 -10.875 -3.217 6.193 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.335 -5.279 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.178 -4.855 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.640 -4.356 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.336 -6.654 3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.481 -7.075 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.900 -8.745 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.167 -8.327 1.584 1.00 0.00 H new ATOM 820 N ILE A 78 -8.543 -3.676 3.003 1.00 0.00 N ATOM 821 CA ILE A 78 -7.934 -2.693 2.114 1.00 0.00 C ATOM 822 C ILE A 78 -8.164 -3.075 0.652 1.00 0.00 C ATOM 823 O ILE A 78 -7.934 -4.219 0.250 1.00 0.00 O ATOM 824 CB ILE A 78 -6.415 -2.523 2.375 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.813 -1.526 1.380 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.691 -3.861 2.294 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.161 -0.332 2.038 1.00 0.00 C ATOM 0 H ILE A 78 -8.168 -4.620 2.908 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.417 -1.738 2.324 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.286 -2.132 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.074 -2.040 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.598 -1.177 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.628 -3.711 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.099 -4.541 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.828 -4.289 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.757 0.330 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.901 0.207 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.354 -0.670 2.687 1.00 0.00 H new ATOM 839 N VAL A 79 -8.636 -2.122 -0.136 1.00 0.00 N ATOM 840 CA VAL A 79 -8.894 -2.369 -1.547 1.00 0.00 C ATOM 841 C VAL A 79 -8.361 -1.234 -2.415 1.00 0.00 C ATOM 842 O VAL A 79 -8.569 -0.056 -2.128 1.00 0.00 O ATOM 843 CB VAL A 79 -10.407 -2.598 -1.820 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.267 -1.813 -0.845 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.778 -2.257 -3.260 1.00 0.00 C ATOM 0 H VAL A 79 -8.848 -1.174 0.175 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.362 -3.282 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.603 -3.660 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.320 -1.994 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.046 -2.132 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.053 -0.749 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.843 -2.430 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.549 -1.210 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.207 -2.887 -3.942 1.00 0.00 H new ATOM 855 N PHE A 80 -7.639 -1.614 -3.461 1.00 0.00 N ATOM 856 CA PHE A 80 -7.077 -0.666 -4.411 1.00 0.00 C ATOM 857 C PHE A 80 -8.048 -0.476 -5.573 1.00 0.00 C ATOM 858 O PHE A 80 -8.117 -1.313 -6.472 1.00 0.00 O ATOM 859 CB PHE A 80 -5.730 -1.184 -4.930 1.00 0.00 C ATOM 860 CG PHE A 80 -4.555 -0.873 -4.041 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.414 -1.492 -2.809 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.586 0.034 -4.445 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.332 -1.214 -1.997 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.501 0.315 -3.637 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.374 -0.309 -2.411 1.00 0.00 C ATOM 0 H PHE A 80 -7.427 -2.589 -3.674 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.917 0.292 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.796 -2.264 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.546 -0.757 -5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.160 -2.201 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.681 0.526 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.235 -1.704 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.753 1.022 -3.964 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.527 -0.090 -1.777 1.00 0.00 H new ATOM 875 N PRO A 81 -8.804 0.632 -5.576 1.00 0.00 N ATOM 876 CA PRO A 81 -9.798 0.922 -6.622 1.00 0.00 C ATOM 877 C PRO A 81 -9.196 1.064 -8.022 1.00 0.00 C ATOM 878 O PRO A 81 -9.907 0.978 -9.020 1.00 0.00 O ATOM 879 CB PRO A 81 -10.415 2.254 -6.179 1.00 0.00 C ATOM 880 CG PRO A 81 -10.064 2.399 -4.738 1.00 0.00 C ATOM 881 CD PRO A 81 -8.755 1.694 -4.560 1.00 0.00 C ATOM 0 HA PRO A 81 -10.512 0.103 -6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.018 3.084 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.496 2.252 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.982 3.450 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.833 1.960 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.911 2.365 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.651 1.285 -3.555 1.00 0.00 H new ATOM 889 N ASP A 82 -7.887 1.275 -8.093 1.00 0.00 N ATOM 890 CA ASP A 82 -7.212 1.434 -9.377 1.00 0.00 C ATOM 891 C ASP A 82 -6.482 0.155 -9.816 1.00 0.00 C ATOM 892 O ASP A 82 -6.024 0.059 -10.953 1.00 0.00 O ATOM 893 CB ASP A 82 -6.234 2.606 -9.307 1.00 0.00 C ATOM 894 CG ASP A 82 -6.940 3.942 -9.176 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.617 4.353 -10.140 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.813 4.580 -8.105 1.00 0.00 O ATOM 0 H ASP A 82 -7.273 1.340 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.976 1.638 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.565 2.467 -8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.614 2.612 -10.203 1.00 0.00 H new ATOM 901 N PHE A 83 -6.374 -0.825 -8.918 1.00 0.00 N ATOM 902 CA PHE A 83 -5.689 -2.082 -9.241 1.00 0.00 C ATOM 903 C PHE A 83 -6.623 -3.293 -9.117 1.00 0.00 C ATOM 904 O PHE A 83 -6.364 -4.346 -9.699 1.00 0.00 O ATOM 905 CB PHE A 83 -4.466 -2.266 -8.333 1.00 0.00 C ATOM 906 CG PHE A 83 -3.306 -1.390 -8.713 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.241 -0.076 -8.279 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.282 -1.879 -9.510 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.181 0.732 -8.631 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.216 -1.073 -9.864 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.166 0.235 -9.424 1.00 0.00 C ATOM 0 H PHE A 83 -6.747 -0.776 -7.970 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.365 -2.021 -10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.752 -2.052 -7.303 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.151 -3.309 -8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.030 0.320 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.318 -2.901 -9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.145 1.755 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.424 -1.466 -10.484 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.335 0.868 -9.699 1.00 0.00 H new ATOM 921 N GLY A 84 -7.704 -3.142 -8.354 1.00 0.00 N ATOM 922 CA GLY A 84 -8.651 -4.234 -8.159 1.00 0.00 C ATOM 923 C GLY A 84 -8.236 -5.160 -7.026 1.00 0.00 C ATOM 924 O GLY A 84 -8.922 -6.139 -6.717 1.00 0.00 O ATOM 0 H GLY A 84 -7.943 -2.280 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.638 -3.823 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.736 -4.808 -9.082 1.00 0.00 H new ATOM 928 N VAL A 85 -7.123 -4.823 -6.386 1.00 0.00 N ATOM 929 CA VAL A 85 -6.580 -5.620 -5.293 1.00 0.00 C ATOM 930 C VAL A 85 -7.300 -5.327 -3.978 1.00 0.00 C ATOM 931 O VAL A 85 -7.232 -4.219 -3.456 1.00 0.00 O ATOM 932 CB VAL A 85 -5.070 -5.350 -5.129 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.533 -5.980 -3.854 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.307 -5.855 -6.343 1.00 0.00 C ATOM 0 H VAL A 85 -6.573 -3.993 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.735 -6.670 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.925 -4.272 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.467 -5.772 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.056 -5.562 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.691 -7.058 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.243 -5.657 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.466 -6.928 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.664 -5.343 -7.236 1.00 0.00 H new ATOM 944 N HIS A 86 -7.991 -6.329 -3.449 1.00 0.00 N ATOM 945 CA HIS A 86 -8.720 -6.177 -2.193 1.00 0.00 C ATOM 946 C HIS A 86 -8.403 -7.334 -1.243 1.00 0.00 C ATOM 947 O HIS A 86 -8.616 -8.501 -1.575 1.00 0.00 O ATOM 948 CB HIS A 86 -10.234 -6.063 -2.448 1.00 0.00 C ATOM 949 CG HIS A 86 -10.826 -7.150 -3.300 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.512 -7.337 -4.635 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.734 -8.104 -2.994 1.00 0.00 C ATOM 952 CE1 HIS A 86 -11.203 -8.359 -5.107 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.951 -8.841 -4.132 1.00 0.00 N ATOM 0 H HIS A 86 -8.063 -7.256 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.394 -5.252 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.748 -6.057 -1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.434 -5.102 -2.923 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.851 -6.774 -5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.202 -8.258 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.163 -8.736 -6.118 1.00 0.00 H new ATOM 961 N ALA A 87 -7.887 -7.003 -0.061 1.00 0.00 N ATOM 962 CA ALA A 87 -7.515 -8.017 0.925 1.00 0.00 C ATOM 963 C ALA A 87 -7.854 -7.592 2.354 1.00 0.00 C ATOM 964 O ALA A 87 -8.062 -6.411 2.634 1.00 0.00 O ATOM 965 CB ALA A 87 -6.025 -8.322 0.816 1.00 0.00 C ATOM 0 H ALA A 87 -7.717 -6.043 0.237 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.097 -8.912 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.753 -9.078 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.802 -8.693 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.453 -7.413 1.001 1.00 0.00 H new ATOM 971 N ASN A 88 -7.902 -8.569 3.256 1.00 0.00 N ATOM 972 CA ASN A 88 -8.197 -8.311 4.664 1.00 0.00 C ATOM 973 C ASN A 88 -6.904 -8.280 5.474 1.00 0.00 C ATOM 974 O ASN A 88 -6.109 -9.218 5.419 1.00 0.00 O ATOM 975 CB ASN A 88 -9.145 -9.377 5.235 1.00 0.00 C ATOM 976 CG ASN A 88 -9.782 -10.240 4.162 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.733 -9.830 3.497 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.265 -11.445 3.985 1.00 0.00 N ATOM 0 H ASN A 88 -7.740 -9.552 3.036 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.690 -7.341 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.592 -10.014 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.929 -8.887 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.655 -12.068 3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.476 -11.750 4.555 1.00 0.00 H new ATOM 985 N LEU A 89 -6.701 -7.209 6.230 1.00 0.00 N ATOM 986 CA LEU A 89 -5.485 -7.063 7.027 1.00 0.00 C ATOM 987 C LEU A 89 -5.600 -7.775 8.377 1.00 0.00 C ATOM 988 O LEU A 89 -6.585 -7.610 9.102 1.00 0.00 O ATOM 989 CB LEU A 89 -5.161 -5.583 7.244 1.00 0.00 C ATOM 990 CG LEU A 89 -5.043 -4.750 5.965 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.896 -3.274 6.301 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.864 -5.227 5.129 1.00 0.00 C ATOM 0 H LEU A 89 -7.357 -6.432 6.310 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.674 -7.532 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.936 -5.146 7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.223 -5.509 7.795 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.955 -4.880 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.813 -2.698 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.769 -2.940 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.000 -3.125 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.793 -4.625 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.944 -5.125 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.009 -6.273 4.859 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.592 -8.595 8.722 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.565 -9.325 9.991 1.00 0.00 C ATOM 1006 C PRO A 90 -4.128 -8.437 11.162 1.00 0.00 C ATOM 1007 O PRO A 90 -3.051 -7.839 11.137 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.542 -10.431 9.734 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.618 -9.878 8.697 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.414 -8.889 7.886 1.00 0.00 C ATOM 0 HA PRO A 90 -5.549 -9.697 10.276 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.002 -10.688 10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.027 -11.342 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.760 -9.394 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.229 -10.674 8.062 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.837 -7.987 7.681 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.705 -9.308 6.922 1.00 0.00 H new ATOM 1018 N MET A 91 -4.972 -8.357 12.187 1.00 0.00 N ATOM 1019 CA MET A 91 -4.686 -7.537 13.364 1.00 0.00 C ATOM 1020 C MET A 91 -3.456 -8.045 14.123 1.00 0.00 C ATOM 1021 O MET A 91 -3.388 -9.212 14.512 1.00 0.00 O ATOM 1022 CB MET A 91 -5.903 -7.504 14.291 1.00 0.00 C ATOM 1023 CG MET A 91 -5.676 -6.723 15.575 1.00 0.00 C ATOM 1024 SD MET A 91 -5.027 -5.066 15.282 1.00 0.00 S ATOM 1025 CE MET A 91 -4.088 -4.807 16.784 1.00 0.00 C ATOM 0 H MET A 91 -5.863 -8.851 12.228 1.00 0.00 H new ATOM 0 HA MET A 91 -4.468 -6.526 13.020 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.745 -7.066 13.755 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.183 -8.527 14.544 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.617 -6.648 16.120 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.982 -7.273 16.211 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.221 -3.780 17.124 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.439 -5.492 17.555 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.031 -4.991 16.589 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.489 -7.153 14.326 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.271 -7.514 15.035 1.00 0.00 C ATOM 1037 C GLY A 92 -0.222 -8.147 14.134 1.00 0.00 C ATOM 1038 O GLY A 92 0.816 -8.608 14.609 1.00 0.00 O ATOM 0 H GLY A 92 -2.527 -6.184 14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.851 -6.623 15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.518 -8.208 15.839 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.492 -8.168 12.830 1.00 0.00 N ATOM 1043 CA GLU A 93 0.432 -8.758 11.864 1.00 0.00 C ATOM 1044 C GLU A 93 0.641 -7.830 10.664 1.00 0.00 C ATOM 1045 O GLU A 93 0.027 -6.764 10.571 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.089 -10.119 11.389 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.228 -11.145 12.503 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.696 -12.497 11.997 1.00 0.00 C ATOM 1049 OE1 GLU A 93 0.167 -13.331 11.646 1.00 0.00 O ATOM 1050 OE2 GLU A 93 -1.924 -12.723 11.951 1.00 0.00 O ATOM 0 H GLU A 93 -1.342 -7.784 12.419 1.00 0.00 H new ATOM 0 HA GLU A 93 1.392 -8.898 12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.059 -9.980 10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.586 -10.511 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.732 -11.262 13.006 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.934 -10.775 13.246 1.00 0.00 H new ATOM 1057 N GLU A 94 1.515 -8.240 9.752 1.00 0.00 N ATOM 1058 CA GLU A 94 1.810 -7.447 8.561 1.00 0.00 C ATOM 1059 C GLU A 94 1.389 -8.175 7.286 1.00 0.00 C ATOM 1060 O GLU A 94 1.691 -9.354 7.100 1.00 0.00 O ATOM 1061 CB GLU A 94 3.305 -7.122 8.492 1.00 0.00 C ATOM 1062 CG GLU A 94 3.765 -6.112 9.533 1.00 0.00 C ATOM 1063 CD GLU A 94 4.668 -6.719 10.592 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.478 -7.909 10.927 1.00 0.00 O ATOM 1065 OE2 GLU A 94 5.568 -6.004 11.087 1.00 0.00 O ATOM 0 H GLU A 94 2.033 -9.117 9.813 1.00 0.00 H new ATOM 0 HA GLU A 94 1.239 -6.522 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.873 -8.044 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.538 -6.737 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.294 -5.300 9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.892 -5.674 10.016 1.00 0.00 H new ATOM 1072 N TYR A 95 0.690 -7.462 6.413 1.00 0.00 N ATOM 1073 CA TYR A 95 0.236 -8.028 5.145 1.00 0.00 C ATOM 1074 C TYR A 95 0.807 -7.233 3.975 1.00 0.00 C ATOM 1075 O TYR A 95 0.536 -6.042 3.826 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.299 -8.056 5.087 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.875 -8.945 3.997 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -1.057 -9.628 3.102 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -3.247 -9.109 3.877 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -1.590 -10.441 2.122 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -3.789 -9.921 2.900 1.00 0.00 C ATOM 1082 CZ TYR A 95 -2.955 -10.584 2.026 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.492 -11.395 1.050 1.00 0.00 O ATOM 0 H TYR A 95 0.423 -6.488 6.558 1.00 0.00 H new ATOM 0 HA TYR A 95 0.598 -9.054 5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.680 -8.393 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.662 -7.039 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.015 -9.520 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.904 -8.592 4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.940 -10.962 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.860 -10.036 2.821 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.469 -11.387 1.120 1.00 0.00 H new ATOM 1093 N VAL A 96 1.605 -7.900 3.149 1.00 0.00 N ATOM 1094 CA VAL A 96 2.220 -7.248 2.004 1.00 0.00 C ATOM 1095 C VAL A 96 1.414 -7.465 0.715 1.00 0.00 C ATOM 1096 O VAL A 96 1.005 -8.581 0.385 1.00 0.00 O ATOM 1097 CB VAL A 96 3.692 -7.704 1.821 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.793 -9.061 1.136 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.479 -6.659 1.052 1.00 0.00 C ATOM 0 H VAL A 96 1.839 -8.887 3.252 1.00 0.00 H new ATOM 0 HA VAL A 96 2.219 -6.178 2.210 1.00 0.00 H new ATOM 0 HB VAL A 96 4.124 -7.813 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.842 -9.338 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.279 -9.811 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.331 -9.006 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.509 -6.994 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.028 -6.514 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.465 -5.717 1.600 1.00 0.00 H new ATOM 1109 N VAL A 97 1.153 -6.368 0.014 1.00 0.00 N ATOM 1110 CA VAL A 97 0.413 -6.405 -1.244 1.00 0.00 C ATOM 1111 C VAL A 97 1.358 -6.182 -2.426 1.00 0.00 C ATOM 1112 O VAL A 97 1.951 -5.112 -2.564 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.705 -5.335 -1.270 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.297 -5.188 -2.666 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.790 -5.678 -0.262 1.00 0.00 C ATOM 0 H VAL A 97 1.446 -5.433 0.298 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.046 -7.390 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.262 -4.378 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.079 -4.429 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.515 -4.889 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.721 -6.141 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.569 -4.916 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.222 -6.648 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.359 -5.716 0.738 1.00 0.00 H new ATOM 1125 N GLU A 98 1.501 -7.196 -3.272 1.00 0.00 N ATOM 1126 CA GLU A 98 2.385 -7.103 -4.433 1.00 0.00 C ATOM 1127 C GLU A 98 1.617 -6.704 -5.697 1.00 0.00 C ATOM 1128 O GLU A 98 0.710 -7.412 -6.135 1.00 0.00 O ATOM 1129 CB GLU A 98 3.108 -8.434 -4.657 1.00 0.00 C ATOM 1130 CG GLU A 98 4.448 -8.525 -3.940 1.00 0.00 C ATOM 1131 CD GLU A 98 4.831 -9.949 -3.582 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.548 -10.863 -4.385 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.419 -10.147 -2.497 1.00 0.00 O ATOM 0 H GLU A 98 1.019 -8.090 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 98 3.119 -6.324 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.467 -9.248 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.266 -8.577 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.223 -8.094 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.409 -7.925 -3.031 1.00 0.00 H new ATOM 1140 N ILE A 99 1.991 -5.565 -6.275 1.00 0.00 N ATOM 1141 CA ILE A 99 1.348 -5.062 -7.491 1.00 0.00 C ATOM 1142 C ILE A 99 2.387 -4.597 -8.511 1.00 0.00 C ATOM 1143 O ILE A 99 3.521 -4.270 -8.157 1.00 0.00 O ATOM 1144 CB ILE A 99 0.374 -3.895 -7.197 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.806 -3.121 -5.949 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.044 -4.421 -7.037 1.00 0.00 C ATOM 1147 CD1 ILE A 99 0.029 -1.839 -5.735 1.00 0.00 C ATOM 0 H ILE A 99 2.739 -4.969 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 99 0.777 -5.895 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 99 0.398 -3.208 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.685 -3.760 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.867 -2.885 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.719 -3.590 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.353 -4.920 -7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.078 -5.130 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.387 -1.342 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.170 -1.181 -6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.031 -2.070 -5.625 1.00 0.00 H new ATOM 1159 N THR A 100 1.994 -4.568 -9.779 1.00 0.00 N ATOM 1160 CA THR A 100 2.895 -4.145 -10.849 1.00 0.00 C ATOM 1161 C THR A 100 2.348 -2.926 -11.594 1.00 0.00 C ATOM 1162 O THR A 100 1.518 -3.059 -12.496 1.00 0.00 O ATOM 1163 CB THR A 100 3.143 -5.283 -11.861 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.301 -6.530 -11.174 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.381 -5.003 -12.701 1.00 0.00 C ATOM 0 H THR A 100 1.060 -4.831 -10.093 1.00 0.00 H new ATOM 0 HA THR A 100 3.838 -3.878 -10.373 1.00 0.00 H new ATOM 0 HB THR A 100 2.278 -5.341 -12.522 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.456 -7.245 -11.826 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.534 -5.820 -13.407 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.246 -4.071 -13.249 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.251 -4.918 -12.050 1.00 0.00 H new ATOM 1173 N PRO A 101 2.810 -1.718 -11.223 1.00 0.00 N ATOM 1174 CA PRO A 101 2.369 -0.468 -11.858 1.00 0.00 C ATOM 1175 C PRO A 101 2.950 -0.287 -13.264 1.00 0.00 C ATOM 1176 O PRO A 101 4.084 0.160 -13.429 1.00 0.00 O ATOM 1177 CB PRO A 101 2.902 0.609 -10.911 1.00 0.00 C ATOM 1178 CG PRO A 101 4.099 -0.010 -10.277 1.00 0.00 C ATOM 1179 CD PRO A 101 3.789 -1.474 -10.145 1.00 0.00 C ATOM 0 HA PRO A 101 1.288 -0.438 -11.998 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.165 1.518 -11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.157 0.886 -10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.988 0.147 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.298 0.436 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.682 -2.086 -10.268 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.374 -1.710 -9.165 1.00 0.00 H new ATOM 1187 N GLU A 102 2.163 -0.632 -14.276 1.00 0.00 N ATOM 1188 CA GLU A 102 2.604 -0.508 -15.666 1.00 0.00 C ATOM 1189 C GLU A 102 2.113 0.800 -16.296 1.00 0.00 C ATOM 1190 O GLU A 102 1.994 0.911 -17.518 1.00 0.00 O ATOM 1191 CB GLU A 102 2.109 -1.706 -16.484 1.00 0.00 C ATOM 1192 CG GLU A 102 2.665 -3.040 -16.006 1.00 0.00 C ATOM 1193 CD GLU A 102 1.588 -4.099 -15.834 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.394 -3.769 -15.996 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.942 -5.260 -15.536 1.00 0.00 O ATOM 0 H GLU A 102 1.218 -0.999 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 102 3.694 -0.493 -15.672 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.020 -1.739 -16.442 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.383 -1.561 -17.529 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.407 -3.396 -16.720 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.180 -2.895 -15.057 1.00 0.00 H new ATOM 1202 N GLN A 103 1.829 1.785 -15.452 1.00 0.00 N ATOM 1203 CA GLN A 103 1.358 3.090 -15.910 1.00 0.00 C ATOM 1204 C GLN A 103 1.789 4.186 -14.938 1.00 0.00 C ATOM 1205 O GLN A 103 1.623 4.052 -13.728 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.167 3.090 -16.052 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.648 3.306 -17.480 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.419 2.119 -18.026 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.639 2.158 -18.148 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.709 1.051 -18.356 1.00 0.00 N ATOM 0 H GLN A 103 1.917 1.705 -14.439 1.00 0.00 H new ATOM 0 HA GLN A 103 1.803 3.290 -16.885 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.557 2.140 -15.686 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.582 3.872 -15.416 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.282 4.192 -17.515 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.211 3.502 -18.122 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.304 1.057 -18.240 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.176 0.223 -18.726 1.00 0.00 H new ATOM 1219 N ALA A 104 2.349 5.267 -15.470 1.00 0.00 N ATOM 1220 CA ALA A 104 2.804 6.379 -14.641 1.00 0.00 C ATOM 1221 C ALA A 104 1.697 7.409 -14.430 1.00 0.00 C ATOM 1222 O ALA A 104 1.077 7.878 -15.385 1.00 0.00 O ATOM 1223 CB ALA A 104 4.028 7.035 -15.263 1.00 0.00 C ATOM 0 H ALA A 104 2.499 5.398 -16.470 1.00 0.00 H new ATOM 0 HA ALA A 104 3.075 5.978 -13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.356 7.863 -14.634 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.831 6.302 -15.347 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.775 7.411 -16.254 1.00 0.00 H new ATOM 1229 N GLY A 105 1.459 7.753 -13.171 1.00 0.00 N ATOM 1230 CA GLY A 105 0.430 8.723 -12.844 1.00 0.00 C ATOM 1231 C GLY A 105 0.040 8.689 -11.377 1.00 0.00 C ATOM 1232 O GLY A 105 0.802 8.211 -10.534 1.00 0.00 O ATOM 0 H GLY A 105 1.962 7.377 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.784 9.722 -13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.452 8.531 -13.455 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.151 9.195 -11.073 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.646 9.223 -9.700 1.00 0.00 C ATOM 1238 C GLU A 106 -2.661 8.106 -9.451 1.00 0.00 C ATOM 1239 O GLU A 106 -3.673 8.001 -10.145 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.279 10.583 -9.391 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.486 11.411 -8.392 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.827 12.887 -8.455 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.560 13.515 -9.503 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.362 13.417 -7.456 1.00 0.00 O ATOM 0 H GLU A 106 -1.792 9.592 -11.760 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.796 9.063 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.380 11.147 -10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.285 10.426 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.678 11.040 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.421 11.280 -8.582 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.375 7.277 -8.455 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.246 6.164 -8.090 1.00 0.00 C ATOM 1253 C PHE A 107 -3.798 6.372 -6.678 1.00 0.00 C ATOM 1254 O PHE A 107 -3.302 7.220 -5.934 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.474 4.842 -8.184 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.132 4.449 -9.595 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.976 4.914 -10.198 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.972 3.618 -10.316 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.664 4.556 -11.494 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.665 3.255 -11.613 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.509 3.726 -12.204 1.00 0.00 C ATOM 0 H PHE A 107 -1.537 7.355 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.085 6.123 -8.784 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.554 4.925 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.068 4.050 -7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.311 5.564 -9.649 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.878 3.249 -9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.241 4.925 -11.953 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.328 2.604 -12.164 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.267 3.446 -13.219 1.00 0.00 H new ATOM 1271 N SER A 108 -4.816 5.607 -6.301 1.00 0.00 N ATOM 1272 CA SER A 108 -5.416 5.757 -4.978 1.00 0.00 C ATOM 1273 C SER A 108 -5.809 4.416 -4.359 1.00 0.00 C ATOM 1274 O SER A 108 -6.031 3.427 -5.063 1.00 0.00 O ATOM 1275 CB SER A 108 -6.652 6.656 -5.066 1.00 0.00 C ATOM 1276 OG SER A 108 -7.682 6.040 -5.823 1.00 0.00 O ATOM 0 H SER A 108 -5.240 4.885 -6.883 1.00 0.00 H new ATOM 0 HA SER A 108 -4.662 6.210 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.017 6.876 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.381 7.608 -5.523 1.00 0.00 H new ATOM 0 HG SER A 108 -7.290 5.578 -6.593 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.879 4.400 -3.029 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.265 3.207 -2.275 1.00 0.00 C ATOM 1284 C PHE A 109 -6.927 3.603 -0.952 1.00 0.00 C ATOM 1285 O PHE A 109 -6.397 4.427 -0.205 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.055 2.287 -2.026 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.899 2.931 -1.302 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.912 3.613 -2.001 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.794 2.841 0.078 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.850 4.193 -1.334 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.734 3.419 0.748 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.762 4.097 0.040 1.00 0.00 C ATOM 0 H PHE A 109 -5.671 5.210 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.987 2.649 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.388 1.423 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.699 1.913 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.975 3.691 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.552 2.311 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.088 4.722 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.666 3.341 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.933 4.552 0.561 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.097 3.031 -0.673 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.825 3.346 0.556 1.00 0.00 C ATOM 1304 C ALA A 110 -9.889 2.295 0.874 1.00 0.00 C ATOM 1305 O ALA A 110 -10.089 1.345 0.120 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.474 4.718 0.444 1.00 0.00 C ATOM 0 H ALA A 110 -8.559 2.351 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.103 3.347 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.013 4.942 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.704 5.472 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.170 4.724 -0.395 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.964 7.778 -1.170 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.587 8.094 -2.546 1.00 0.00 C ATOM 1421 C LYS A 119 -1.260 7.439 -2.936 1.00 0.00 C ATOM 1422 O LYS A 119 -0.384 7.223 -2.099 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.498 9.612 -2.727 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.586 10.066 -4.179 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.376 11.360 -4.315 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.502 12.580 -4.062 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.961 13.762 -4.843 1.00 0.00 N ATOM 0 HA LYS A 119 -3.358 7.693 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.300 10.084 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.558 9.964 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.582 10.209 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.058 9.286 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.806 11.421 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.207 11.355 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.513 12.821 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.470 12.349 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.730 14.633 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.485 13.774 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.990 13.706 -4.984 1.00 0.00 H new ATOM 1441 N MET A 120 -1.128 7.124 -4.218 1.00 0.00 N ATOM 1442 CA MET A 120 0.080 6.498 -4.742 1.00 0.00 C ATOM 1443 C MET A 120 0.542 7.200 -6.020 1.00 0.00 C ATOM 1444 O MET A 120 -0.259 7.478 -6.906 1.00 0.00 O ATOM 1445 CB MET A 120 -0.189 5.018 -5.023 1.00 0.00 C ATOM 1446 CG MET A 120 1.048 4.226 -5.403 1.00 0.00 C ATOM 1447 SD MET A 120 0.930 2.497 -4.914 1.00 0.00 S ATOM 1448 CE MET A 120 0.036 1.823 -6.303 1.00 0.00 C ATOM 0 H MET A 120 -1.849 7.293 -4.920 1.00 0.00 H new ATOM 0 HA MET A 120 0.872 6.587 -3.998 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.639 4.567 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.920 4.939 -5.828 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.199 4.287 -6.481 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.923 4.675 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 120 -0.539 0.955 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 120 -0.641 2.579 -6.701 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.741 1.522 -7.078 1.00 0.00 H new ATOM 1458 N ILE A 121 1.831 7.494 -6.113 1.00 0.00 N ATOM 1459 CA ILE A 121 2.368 8.169 -7.294 1.00 0.00 C ATOM 1460 C ILE A 121 3.413 7.301 -7.996 1.00 0.00 C ATOM 1461 O ILE A 121 4.438 6.943 -7.414 1.00 0.00 O ATOM 1462 CB ILE A 121 2.983 9.545 -6.941 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.905 10.493 -6.405 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.659 10.161 -8.160 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.846 10.556 -4.894 1.00 0.00 C ATOM 0 H ILE A 121 2.522 7.280 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 121 1.530 8.334 -7.971 1.00 0.00 H new ATOM 0 HB ILE A 121 3.734 9.392 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.088 11.494 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.934 10.176 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.085 11.128 -7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.452 9.500 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.924 10.297 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.060 11.247 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.632 9.564 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.804 10.903 -4.507 1.00 0.00 H new ATOM 1477 N VAL A 122 3.142 6.966 -9.253 1.00 0.00 N ATOM 1478 CA VAL A 122 4.051 6.143 -10.041 1.00 0.00 C ATOM 1479 C VAL A 122 4.850 7.000 -11.027 1.00 0.00 C ATOM 1480 O VAL A 122 4.277 7.704 -11.859 1.00 0.00 O ATOM 1481 CB VAL A 122 3.283 5.041 -10.803 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.227 4.201 -11.650 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.514 4.159 -9.829 1.00 0.00 C ATOM 0 H VAL A 122 2.298 7.253 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 122 4.746 5.667 -9.349 1.00 0.00 H new ATOM 0 HB VAL A 122 2.572 5.526 -11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.659 3.433 -12.175 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.731 4.840 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.969 3.727 -11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.978 3.387 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.211 3.690 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.801 4.767 -9.272 1.00 0.00 H new ATOM 1493 N GLU A 123 6.180 6.941 -10.914 1.00 0.00 N ATOM 1494 CA GLU A 123 7.087 7.713 -11.777 1.00 0.00 C ATOM 1495 C GLU A 123 6.712 9.199 -11.818 1.00 0.00 C ATOM 1496 O GLU A 123 7.636 10.039 -11.874 1.00 0.00 O ATOM 1497 CB GLU A 123 7.100 7.136 -13.195 1.00 0.00 C ATOM 1498 CG GLU A 123 8.471 7.167 -13.858 1.00 0.00 C ATOM 1499 CD GLU A 123 8.830 5.850 -14.520 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.420 4.985 -13.838 1.00 0.00 O ATOM 1501 OE2 GLU A 123 8.511 5.680 -15.718 1.00 0.00 O ATOM 0 H GLU A 123 6.659 6.360 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 123 8.086 7.634 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.746 6.106 -13.161 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.396 7.695 -13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.492 7.962 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.226 7.411 -13.111 1.00 0.00 H new