USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 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 41 LYS NZ :NH3+ 140:sc= 0.945 (180deg=-1.54) USER MOD Set 1.2: A 78 TYR OH : rot 9:sc= 0.332 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.014 USER MOD Set 2.2: A 28 SER OG : rot 142:sc= 0.0123 USER MOD Set 3.1: A 13 HIS : no HD1:sc= 0.233 X(o=-0.44,f=-0.59) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.669 K(o=-0.44,f=0.51) USER MOD Single : A 8 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 109:sc= 1.04 USER MOD Single : A 17 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 55:sc= -2.91! USER MOD Single : A 24 ASN : amide:sc= -0.561 K(o=-0.56,f=-3.4!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=-0.031) USER MOD Single : A 33 SER OG : rot 180:sc= 0.133 USER MOD Single : A 42 ASN : amide:sc= -1.73 K(o=-1.7,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 23:sc= 0.64 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.2) USER MOD Single : A 84 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-6.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.0099) USER MOD Single : A 91 LYS NZ :NH3+ 133:sc= -0.206 (180deg=-0.896) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.259) USER MOD Single : A 99 MET CE :methyl -170:sc= -0.237 (180deg=-0.482) USER MOD ----------------------------------------------------------------- ATOM 17 N ILE A 7 3.537 -5.941 6.513 1.00 0.00 N ATOM 18 CA ILE A 7 3.149 -4.600 6.107 1.00 0.00 C ATOM 19 C ILE A 7 1.945 -4.172 6.936 1.00 0.00 C ATOM 20 O ILE A 7 1.139 -5.016 7.325 1.00 0.00 O ATOM 21 CB ILE A 7 2.755 -4.585 4.602 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.710 -5.454 3.774 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.723 -3.168 4.046 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.042 -6.132 2.588 1.00 0.00 C ATOM 0 HA ILE A 7 3.986 -3.919 6.262 1.00 0.00 H new ATOM 0 HB ILE A 7 1.750 -5.002 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.531 -4.834 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.146 -6.216 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.444 -3.197 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.993 -2.577 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.709 -2.715 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.777 -6.729 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.239 -6.778 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.630 -5.375 1.921 1.00 0.00 H new ATOM 36 N GLN A 8 1.807 -2.885 7.224 1.00 0.00 N ATOM 37 CA GLN A 8 0.703 -2.436 8.045 1.00 0.00 C ATOM 38 C GLN A 8 -0.065 -1.345 7.318 1.00 0.00 C ATOM 39 O GLN A 8 0.413 -0.219 7.185 1.00 0.00 O ATOM 40 CB GLN A 8 1.230 -1.913 9.382 1.00 0.00 C ATOM 41 CG GLN A 8 2.009 -2.947 10.189 1.00 0.00 C ATOM 42 CD GLN A 8 2.766 -2.318 11.343 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.199 -1.169 11.265 1.00 0.00 O ATOM 44 NE2 GLN A 8 2.930 -3.062 12.422 1.00 0.00 N ATOM 0 H GLN A 8 2.436 -2.148 6.905 1.00 0.00 H new ATOM 0 HA GLN A 8 0.031 -3.273 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.873 -1.053 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.389 -1.559 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.320 -3.699 10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.711 -3.463 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.556 -4.011 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.430 -2.688 13.228 1.00 0.00 H new ATOM 53 N VAL A 9 -1.237 -1.690 6.810 1.00 0.00 N ATOM 54 CA VAL A 9 -2.074 -0.718 6.125 1.00 0.00 C ATOM 55 C VAL A 9 -3.076 -0.071 7.068 1.00 0.00 C ATOM 56 O VAL A 9 -3.574 -0.699 8.003 1.00 0.00 O ATOM 57 CB VAL A 9 -2.814 -1.338 4.919 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.855 -1.540 3.780 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.442 -2.667 5.272 1.00 0.00 C ATOM 0 H VAL A 9 -1.629 -2.630 6.858 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.400 0.054 5.753 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.606 -0.647 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.383 -1.977 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.431 -0.580 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.054 -2.210 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.953 -3.071 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.666 -3.362 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.160 -2.527 6.080 1.00 0.00 H new ATOM 69 N TYR A 10 -3.376 1.185 6.779 1.00 0.00 N ATOM 70 CA TYR A 10 -4.223 2.027 7.622 1.00 0.00 C ATOM 71 C TYR A 10 -4.936 3.037 6.740 1.00 0.00 C ATOM 72 O TYR A 10 -4.673 3.108 5.537 1.00 0.00 O ATOM 73 CB TYR A 10 -3.401 2.808 8.665 1.00 0.00 C ATOM 74 CG TYR A 10 -2.778 1.979 9.782 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.455 2.186 10.166 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.506 0.999 10.459 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.876 1.445 11.182 1.00 0.00 C ATOM 78 CE2 TYR A 10 -2.929 0.252 11.476 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.615 0.481 11.830 1.00 0.00 C ATOM 80 OH TYR A 10 -1.041 -0.257 12.841 1.00 0.00 O ATOM 0 H TYR A 10 -3.036 1.659 5.942 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.924 1.377 8.146 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.603 3.339 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.046 3.562 9.116 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.869 2.940 9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.536 0.819 10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.151 1.622 11.465 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.505 -0.505 11.988 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.697 -0.893 13.195 1.00 0.00 H new ATOM 90 N SER A 11 -5.827 3.824 7.320 1.00 0.00 N ATOM 91 CA SER A 11 -6.444 4.913 6.590 1.00 0.00 C ATOM 92 C SER A 11 -6.519 6.156 7.476 1.00 0.00 C ATOM 93 O SER A 11 -6.516 6.062 8.706 1.00 0.00 O ATOM 94 CB SER A 11 -7.855 4.500 6.128 1.00 0.00 C ATOM 95 OG SER A 11 -8.750 4.456 7.227 1.00 0.00 O ATOM 0 H SER A 11 -6.136 3.729 8.287 1.00 0.00 H new ATOM 0 HA SER A 11 -5.840 5.144 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.221 5.207 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.814 3.523 5.647 1.00 0.00 H new ATOM 0 HG SER A 11 -9.378 5.206 7.167 1.00 0.00 H new ATOM 101 N ARG A 12 -6.574 7.321 6.833 1.00 0.00 N ATOM 102 CA ARG A 12 -6.583 8.602 7.548 1.00 0.00 C ATOM 103 C ARG A 12 -7.985 8.914 8.076 1.00 0.00 C ATOM 104 O ARG A 12 -8.149 9.705 9.003 1.00 0.00 O ATOM 105 CB ARG A 12 -6.111 9.728 6.606 1.00 0.00 C ATOM 106 CG ARG A 12 -5.367 10.874 7.288 1.00 0.00 C ATOM 107 CD ARG A 12 -6.302 11.747 8.106 1.00 0.00 C ATOM 108 NE ARG A 12 -5.779 13.096 8.299 1.00 0.00 N ATOM 109 CZ ARG A 12 -6.452 14.067 8.908 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.614 13.808 9.497 1.00 0.00 N ATOM 111 NH2 ARG A 12 -5.954 15.294 8.949 1.00 0.00 N ATOM 0 H ARG A 12 -6.613 7.407 5.817 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.902 8.533 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.461 9.295 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.980 10.136 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.590 10.468 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.868 11.483 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.270 11.804 7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.470 11.283 9.078 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.845 13.305 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.993 12.861 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.127 14.556 9.963 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.054 15.494 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.471 16.039 9.416 1.00 0.00 H new ATOM 125 N HIS A 13 -8.991 8.267 7.509 1.00 0.00 N ATOM 126 CA HIS A 13 -10.376 8.613 7.798 1.00 0.00 C ATOM 127 C HIS A 13 -11.199 7.358 8.050 1.00 0.00 C ATOM 128 O HIS A 13 -10.805 6.263 7.636 1.00 0.00 O ATOM 129 CB HIS A 13 -10.984 9.395 6.627 1.00 0.00 C ATOM 130 CG HIS A 13 -10.314 10.706 6.364 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.626 10.938 5.197 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.257 11.812 7.143 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.166 12.173 5.292 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.522 12.738 6.453 1.00 0.00 N ATOM 0 H HIS A 13 -8.876 7.500 6.847 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.391 9.234 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.930 8.783 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.040 9.572 6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.704 11.939 8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.578 12.664 4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.289 13.681 6.764 1.00 0.00 H new ATOM 142 N PRO A 14 -12.347 7.503 8.734 1.00 0.00 N ATOM 143 CA PRO A 14 -13.282 6.395 8.968 1.00 0.00 C ATOM 144 C PRO A 14 -13.882 5.900 7.653 1.00 0.00 C ATOM 145 O PRO A 14 -14.200 6.700 6.770 1.00 0.00 O ATOM 146 CB PRO A 14 -14.375 7.009 9.859 1.00 0.00 C ATOM 147 CG PRO A 14 -13.779 8.278 10.393 1.00 0.00 C ATOM 148 CD PRO A 14 -12.836 8.762 9.329 1.00 0.00 C ATOM 0 HA PRO A 14 -12.797 5.533 9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.282 7.209 9.288 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.650 6.332 10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.552 9.018 10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.253 8.099 11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.342 9.388 8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.023 9.355 9.747 1.00 0.00 H new ATOM 156 N ALA A 15 -14.006 4.587 7.514 1.00 0.00 N ATOM 157 CA ALA A 15 -14.524 3.975 6.292 1.00 0.00 C ATOM 158 C ALA A 15 -15.985 4.352 6.036 1.00 0.00 C ATOM 159 O ALA A 15 -16.891 3.765 6.631 1.00 0.00 O ATOM 160 CB ALA A 15 -14.395 2.459 6.389 1.00 0.00 C ATOM 0 H ALA A 15 -13.752 3.917 8.240 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.935 4.351 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.781 2.002 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.346 2.190 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.966 2.099 7.245 1.00 0.00 H new ATOM 166 N GLU A 16 -16.222 5.307 5.135 1.00 0.00 N ATOM 167 CA GLU A 16 -17.591 5.690 4.781 1.00 0.00 C ATOM 168 C GLU A 16 -17.890 5.247 3.346 1.00 0.00 C ATOM 169 O GLU A 16 -17.371 5.837 2.397 1.00 0.00 O ATOM 170 CB GLU A 16 -17.807 7.218 4.913 1.00 0.00 C ATOM 171 CG GLU A 16 -18.524 7.681 6.179 1.00 0.00 C ATOM 172 CD GLU A 16 -17.733 7.447 7.450 1.00 0.00 C ATOM 173 OE1 GLU A 16 -17.015 8.375 7.877 1.00 0.00 O ATOM 174 OE2 GLU A 16 -17.848 6.357 8.042 1.00 0.00 O ATOM 0 H GLU A 16 -15.494 5.824 4.642 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.272 5.195 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.835 7.708 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.377 7.561 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.746 8.744 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.479 7.161 6.255 1.00 0.00 H new ATOM 181 N ASN A 17 -18.676 4.174 3.197 1.00 0.00 N ATOM 182 CA ASN A 17 -19.129 3.711 1.888 1.00 0.00 C ATOM 183 C ASN A 17 -19.591 4.882 1.003 1.00 0.00 C ATOM 184 O ASN A 17 -20.544 5.589 1.337 1.00 0.00 O ATOM 185 CB ASN A 17 -20.258 2.668 2.076 1.00 0.00 C ATOM 186 CG ASN A 17 -20.978 2.327 0.784 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.587 1.406 0.066 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.043 3.057 0.485 1.00 0.00 N ATOM 0 H ASN A 17 -19.012 3.609 3.977 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.292 3.240 1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.835 1.757 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.981 3.050 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.571 2.864 -0.366 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.335 3.812 1.106 1.00 0.00 H new ATOM 195 N GLY A 18 -18.877 5.101 -0.104 1.00 0.00 N ATOM 196 CA GLY A 18 -19.226 6.167 -1.041 1.00 0.00 C ATOM 197 C GLY A 18 -18.240 7.324 -1.048 1.00 0.00 C ATOM 198 O GLY A 18 -18.297 8.180 -1.930 1.00 0.00 O ATOM 0 H GLY A 18 -18.057 4.556 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.289 5.749 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.217 6.547 -0.792 1.00 0.00 H new ATOM 202 N LYS A 19 -17.344 7.382 -0.072 1.00 0.00 N ATOM 203 CA LYS A 19 -16.355 8.467 -0.024 1.00 0.00 C ATOM 204 C LYS A 19 -15.040 8.038 -0.644 1.00 0.00 C ATOM 205 O LYS A 19 -14.728 6.849 -0.684 1.00 0.00 O ATOM 206 CB LYS A 19 -16.042 8.868 1.412 1.00 0.00 C ATOM 207 CG LYS A 19 -17.240 9.120 2.306 1.00 0.00 C ATOM 208 CD LYS A 19 -17.830 10.516 2.179 1.00 0.00 C ATOM 209 CE LYS A 19 -18.410 10.813 0.806 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.678 10.078 0.557 1.00 0.00 N ATOM 0 H LYS A 19 -17.276 6.706 0.689 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.794 9.300 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.435 8.083 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.432 9.771 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.013 8.388 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.947 8.955 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.612 10.640 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.055 11.250 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.590 11.884 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.681 10.545 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.035 10.313 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.504 9.055 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.384 10.352 1.270 1.00 0.00 H new ATOM 224 N SER A 20 -14.274 9.003 -1.131 1.00 0.00 N ATOM 225 CA SER A 20 -12.878 8.751 -1.425 1.00 0.00 C ATOM 226 C SER A 20 -12.017 9.357 -0.332 1.00 0.00 C ATOM 227 O SER A 20 -12.347 10.399 0.240 1.00 0.00 O ATOM 228 CB SER A 20 -12.440 9.253 -2.808 1.00 0.00 C ATOM 229 OG SER A 20 -11.221 8.653 -3.207 1.00 0.00 O ATOM 0 H SER A 20 -14.592 9.952 -1.327 1.00 0.00 H new ATOM 0 HA SER A 20 -12.745 7.670 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.215 9.030 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.325 10.337 -2.785 1.00 0.00 H new ATOM 0 HG SER A 20 -11.311 7.678 -3.175 1.00 0.00 H new ATOM 235 N ASN A 21 -10.910 8.706 -0.077 1.00 0.00 N ATOM 236 CA ASN A 21 -9.959 9.126 0.932 1.00 0.00 C ATOM 237 C ASN A 21 -8.597 8.688 0.409 1.00 0.00 C ATOM 238 O ASN A 21 -8.378 8.720 -0.801 1.00 0.00 O ATOM 239 CB ASN A 21 -10.265 8.493 2.306 1.00 0.00 C ATOM 240 CG ASN A 21 -11.730 8.603 2.731 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.564 7.787 2.345 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.050 9.577 3.563 1.00 0.00 N ATOM 0 H ASN A 21 -10.636 7.856 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.002 10.203 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.983 7.440 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.642 8.971 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.008 9.665 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.339 10.241 3.868 1.00 0.00 H new ATOM 249 N PHE A 22 -7.697 8.251 1.271 1.00 0.00 N ATOM 250 CA PHE A 22 -6.394 7.780 0.814 1.00 0.00 C ATOM 251 C PHE A 22 -6.038 6.446 1.459 1.00 0.00 C ATOM 252 O PHE A 22 -6.203 6.278 2.672 1.00 0.00 O ATOM 253 CB PHE A 22 -5.317 8.817 1.131 1.00 0.00 C ATOM 254 CG PHE A 22 -5.312 9.994 0.197 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.505 9.810 -1.162 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.098 11.278 0.672 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.487 10.884 -2.030 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.081 12.357 -0.192 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.275 12.158 -1.545 1.00 0.00 C ATOM 0 H PHE A 22 -7.837 8.211 2.280 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.446 7.636 -0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.460 9.175 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.340 8.334 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.672 8.815 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.943 11.438 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.639 10.727 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.916 13.354 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.261 12.999 -2.223 1.00 0.00 H new ATOM 269 N LEU A 23 -5.557 5.491 0.658 1.00 0.00 N ATOM 270 CA LEU A 23 -5.113 4.209 1.205 1.00 0.00 C ATOM 271 C LEU A 23 -3.618 4.277 1.484 1.00 0.00 C ATOM 272 O LEU A 23 -2.816 4.523 0.584 1.00 0.00 O ATOM 273 CB LEU A 23 -5.443 3.035 0.259 1.00 0.00 C ATOM 274 CG LEU A 23 -4.815 1.664 0.620 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.176 1.228 2.035 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.267 0.598 -0.367 1.00 0.00 C ATOM 0 H LEU A 23 -5.466 5.579 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.651 4.023 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.526 2.917 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.120 3.305 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.733 1.782 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.716 0.263 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.812 1.968 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.259 1.141 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.818 -0.359 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.353 0.510 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.954 0.878 -1.373 1.00 0.00 H new ATOM 288 N ASN A 24 -3.264 4.083 2.739 1.00 0.00 N ATOM 289 CA ASN A 24 -1.887 4.230 3.182 1.00 0.00 C ATOM 290 C ASN A 24 -1.265 2.872 3.451 1.00 0.00 C ATOM 291 O ASN A 24 -1.673 2.165 4.375 1.00 0.00 O ATOM 292 CB ASN A 24 -1.812 5.087 4.453 1.00 0.00 C ATOM 293 CG ASN A 24 -2.237 6.527 4.229 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.414 7.393 3.935 1.00 0.00 O ATOM 295 ND2 ASN A 24 -3.526 6.797 4.374 1.00 0.00 N ATOM 0 H ASN A 24 -3.916 3.821 3.478 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.332 4.727 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.446 4.643 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.791 5.071 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.866 7.750 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.179 6.052 4.618 1.00 0.00 H new ATOM 302 N CYS A 25 -0.284 2.507 2.644 1.00 0.00 N ATOM 303 CA CYS A 25 0.433 1.257 2.809 1.00 0.00 C ATOM 304 C CYS A 25 1.847 1.572 3.326 1.00 0.00 C ATOM 305 O CYS A 25 2.677 2.101 2.585 1.00 0.00 O ATOM 306 CB CYS A 25 0.505 0.585 1.431 1.00 0.00 C ATOM 307 SG CYS A 25 -1.072 0.622 0.516 1.00 0.00 S ATOM 0 H CYS A 25 0.037 3.070 1.856 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.063 0.596 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.273 1.079 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.817 -0.452 1.558 1.00 0.00 H new ATOM 312 N TYR A 26 2.118 1.253 4.588 1.00 0.00 N ATOM 313 CA TYR A 26 3.385 1.644 5.229 1.00 0.00 C ATOM 314 C TYR A 26 4.364 0.473 5.244 1.00 0.00 C ATOM 315 O TYR A 26 4.181 -0.505 5.971 1.00 0.00 O ATOM 316 CB TYR A 26 3.117 2.219 6.653 1.00 0.00 C ATOM 317 CG TYR A 26 4.295 2.258 7.614 1.00 0.00 C ATOM 318 CD1 TYR A 26 4.395 1.339 8.655 1.00 0.00 C ATOM 319 CD2 TYR A 26 5.283 3.230 7.505 1.00 0.00 C ATOM 320 CE1 TYR A 26 5.445 1.387 9.553 1.00 0.00 C ATOM 321 CE2 TYR A 26 6.336 3.280 8.397 1.00 0.00 C ATOM 322 CZ TYR A 26 6.413 2.359 9.418 1.00 0.00 C ATOM 323 OH TYR A 26 7.460 2.415 10.309 1.00 0.00 O ATOM 0 H TYR A 26 1.485 0.727 5.191 1.00 0.00 H new ATOM 0 HA TYR A 26 3.852 2.437 4.646 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.736 3.234 6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.324 1.629 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.639 0.575 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.226 3.958 6.709 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.506 0.667 10.356 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.097 4.039 8.294 1.00 0.00 H new ATOM 0 HH TYR A 26 8.053 3.158 10.071 1.00 0.00 H new ATOM 333 N VAL A 27 5.383 0.575 4.394 1.00 0.00 N ATOM 334 CA VAL A 27 6.404 -0.457 4.240 1.00 0.00 C ATOM 335 C VAL A 27 7.694 -0.002 4.931 1.00 0.00 C ATOM 336 O VAL A 27 8.301 0.988 4.525 1.00 0.00 O ATOM 337 CB VAL A 27 6.679 -0.697 2.733 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.699 -1.802 2.525 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.388 -1.022 1.992 1.00 0.00 C ATOM 0 H VAL A 27 5.524 1.383 3.788 1.00 0.00 H new ATOM 0 HA VAL A 27 6.055 -1.384 4.694 1.00 0.00 H new ATOM 0 HB VAL A 27 7.093 0.225 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.869 -1.944 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.637 -1.527 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.325 -2.729 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.606 -1.186 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.942 -1.922 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.691 -0.190 2.093 1.00 0.00 H new ATOM 349 N SER A 28 8.104 -0.700 5.986 1.00 0.00 N ATOM 350 CA SER A 28 9.244 -0.252 6.782 1.00 0.00 C ATOM 351 C SER A 28 10.369 -1.292 6.842 1.00 0.00 C ATOM 352 O SER A 28 10.119 -2.493 6.925 1.00 0.00 O ATOM 353 CB SER A 28 8.767 0.088 8.196 1.00 0.00 C ATOM 354 OG SER A 28 9.794 0.686 8.966 1.00 0.00 O ATOM 0 H SER A 28 7.672 -1.566 6.307 1.00 0.00 H new ATOM 0 HA SER A 28 9.659 0.632 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.914 0.764 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.422 -0.819 8.692 1.00 0.00 H new ATOM 0 HG SER A 28 9.411 1.387 9.533 1.00 0.00 H new ATOM 360 N GLY A 29 11.608 -0.801 6.787 1.00 0.00 N ATOM 361 CA GLY A 29 12.776 -1.656 6.959 1.00 0.00 C ATOM 362 C GLY A 29 13.410 -2.061 5.646 1.00 0.00 C ATOM 363 O GLY A 29 14.527 -2.575 5.620 1.00 0.00 O ATOM 0 H GLY A 29 11.825 0.182 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.515 -1.135 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.486 -2.552 7.508 1.00 0.00 H new ATOM 367 N PHE A 30 12.708 -1.817 4.555 1.00 0.00 N ATOM 368 CA PHE A 30 13.173 -2.231 3.240 1.00 0.00 C ATOM 369 C PHE A 30 13.792 -1.069 2.500 1.00 0.00 C ATOM 370 O PHE A 30 13.285 0.048 2.555 1.00 0.00 O ATOM 371 CB PHE A 30 12.016 -2.790 2.428 1.00 0.00 C ATOM 372 CG PHE A 30 11.364 -3.982 3.092 1.00 0.00 C ATOM 373 CD1 PHE A 30 11.778 -5.271 2.787 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.363 -3.812 4.042 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.198 -6.367 3.404 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.780 -4.905 4.665 1.00 0.00 C ATOM 377 CZ PHE A 30 10.202 -6.182 4.342 1.00 0.00 C ATOM 0 H PHE A 30 11.810 -1.333 4.552 1.00 0.00 H new ATOM 0 HA PHE A 30 13.929 -3.004 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.271 -2.009 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.376 -3.080 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.562 -5.421 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.035 -2.815 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.524 -7.365 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.001 -4.760 5.398 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.751 -7.037 4.825 1.00 0.00 H new ATOM 387 N HIS A 31 14.863 -1.341 1.782 1.00 0.00 N ATOM 388 CA HIS A 31 15.607 -0.297 1.101 1.00 0.00 C ATOM 389 C HIS A 31 14.880 0.091 -0.179 1.00 0.00 C ATOM 390 O HIS A 31 14.801 -0.702 -1.113 1.00 0.00 O ATOM 391 CB HIS A 31 17.021 -0.787 0.796 1.00 0.00 C ATOM 392 CG HIS A 31 17.658 -1.488 1.957 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.859 -2.847 1.945 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.090 -0.986 3.136 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.403 -3.140 3.113 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.561 -2.045 3.867 1.00 0.00 N ATOM 0 H HIS A 31 15.240 -2.280 1.654 1.00 0.00 H new ATOM 0 HA HIS A 31 15.679 0.582 1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.989 -1.464 -0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.640 0.062 0.507 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.068 0.049 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.684 -4.136 3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.957 -2.006 4.806 1.00 0.00 H new ATOM 404 N PRO A 32 14.349 1.324 -0.223 1.00 0.00 N ATOM 405 CA PRO A 32 13.438 1.796 -1.289 1.00 0.00 C ATOM 406 C PRO A 32 13.968 1.599 -2.711 1.00 0.00 C ATOM 407 O PRO A 32 13.205 1.636 -3.677 1.00 0.00 O ATOM 408 CB PRO A 32 13.295 3.290 -0.991 1.00 0.00 C ATOM 409 CG PRO A 32 13.579 3.426 0.463 1.00 0.00 C ATOM 410 CD PRO A 32 14.603 2.372 0.783 1.00 0.00 C ATOM 0 HA PRO A 32 12.507 1.229 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.994 3.879 -1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.293 3.646 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.957 4.421 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.674 3.283 1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.618 2.763 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.483 1.991 1.797 1.00 0.00 H new ATOM 418 N SER A 33 15.263 1.376 -2.834 1.00 0.00 N ATOM 419 CA SER A 33 15.904 1.256 -4.127 1.00 0.00 C ATOM 420 C SER A 33 15.545 -0.056 -4.846 1.00 0.00 C ATOM 421 O SER A 33 15.369 -0.063 -6.067 1.00 0.00 O ATOM 422 CB SER A 33 17.417 1.388 -3.937 1.00 0.00 C ATOM 423 OG SER A 33 17.803 0.804 -2.703 1.00 0.00 O ATOM 0 H SER A 33 15.897 1.273 -2.042 1.00 0.00 H new ATOM 0 HA SER A 33 15.538 2.056 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.939 0.899 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.704 2.439 -3.957 1.00 0.00 H new ATOM 0 HG SER A 33 18.772 0.891 -2.589 1.00 0.00 H new ATOM 429 N ASP A 34 15.426 -1.165 -4.110 1.00 0.00 N ATOM 430 CA ASP A 34 15.186 -2.469 -4.753 1.00 0.00 C ATOM 431 C ASP A 34 13.917 -3.172 -4.256 1.00 0.00 C ATOM 432 O ASP A 34 13.927 -4.392 -4.066 1.00 0.00 O ATOM 433 CB ASP A 34 16.374 -3.421 -4.536 1.00 0.00 C ATOM 434 CG ASP A 34 17.700 -2.844 -4.987 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.867 -2.600 -6.202 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.590 -2.654 -4.133 1.00 0.00 O ATOM 0 H ASP A 34 15.489 -1.193 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 34 15.059 -2.243 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.438 -3.674 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.188 -4.350 -5.075 1.00 0.00 H new ATOM 441 N ILE A 35 12.816 -2.450 -4.050 1.00 0.00 N ATOM 442 CA ILE A 35 11.588 -3.120 -3.618 1.00 0.00 C ATOM 443 C ILE A 35 10.422 -2.817 -4.551 1.00 0.00 C ATOM 444 O ILE A 35 10.455 -1.859 -5.324 1.00 0.00 O ATOM 445 CB ILE A 35 11.178 -2.774 -2.153 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.123 -1.649 -2.101 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.394 -2.404 -1.315 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.649 -1.327 -0.697 1.00 0.00 C ATOM 0 H ILE A 35 12.746 -1.439 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 35 11.817 -4.185 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 35 10.726 -3.671 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.542 -0.748 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.265 -1.938 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.078 -2.168 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.089 -3.243 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.887 -1.536 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.909 -0.528 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.200 -2.215 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.497 -1.007 -0.091 1.00 0.00 H new ATOM 460 N GLU A 36 9.404 -3.659 -4.460 1.00 0.00 N ATOM 461 CA GLU A 36 8.173 -3.500 -5.219 1.00 0.00 C ATOM 462 C GLU A 36 6.984 -3.448 -4.270 1.00 0.00 C ATOM 463 O GLU A 36 6.744 -4.394 -3.525 1.00 0.00 O ATOM 464 CB GLU A 36 7.975 -4.666 -6.189 1.00 0.00 C ATOM 465 CG GLU A 36 8.827 -4.601 -7.454 1.00 0.00 C ATOM 466 CD GLU A 36 8.721 -5.873 -8.270 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.605 -6.187 -8.746 1.00 0.00 O ATOM 468 OE2 GLU A 36 9.743 -6.570 -8.428 1.00 0.00 O ATOM 0 H GLU A 36 9.409 -4.478 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 36 8.244 -2.572 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.197 -5.596 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.925 -4.705 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.512 -3.752 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.869 -4.429 -7.182 1.00 0.00 H new ATOM 475 N VAL A 37 6.256 -2.345 -4.288 1.00 0.00 N ATOM 476 CA VAL A 37 5.048 -2.209 -3.485 1.00 0.00 C ATOM 477 C VAL A 37 3.927 -1.589 -4.323 1.00 0.00 C ATOM 478 O VAL A 37 4.119 -0.556 -4.968 1.00 0.00 O ATOM 479 CB VAL A 37 5.299 -1.381 -2.184 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.545 -0.523 -2.316 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.095 -0.514 -1.833 1.00 0.00 C ATOM 0 H VAL A 37 6.480 -1.525 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 37 4.743 -3.207 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 37 5.452 -2.092 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.696 0.043 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.410 -1.162 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.425 0.167 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.304 0.048 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.895 0.179 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.223 -1.149 -1.675 1.00 0.00 H new ATOM 491 N ASP A 38 2.764 -2.231 -4.316 1.00 0.00 N ATOM 492 CA ASP A 38 1.620 -1.764 -5.097 1.00 0.00 C ATOM 493 C ASP A 38 0.376 -1.746 -4.213 1.00 0.00 C ATOM 494 O ASP A 38 0.346 -2.390 -3.160 1.00 0.00 O ATOM 495 CB ASP A 38 1.337 -2.673 -6.319 1.00 0.00 C ATOM 496 CG ASP A 38 2.452 -2.700 -7.342 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.101 -3.759 -7.475 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.656 -1.677 -8.039 1.00 0.00 O ATOM 0 H ASP A 38 2.587 -3.079 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 38 1.860 -0.765 -5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.156 -3.689 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.421 -2.336 -6.805 1.00 0.00 H new ATOM 503 N LEU A 39 -0.650 -1.031 -4.653 1.00 0.00 N ATOM 504 CA LEU A 39 -1.925 -1.009 -3.948 1.00 0.00 C ATOM 505 C LEU A 39 -2.949 -1.828 -4.735 1.00 0.00 C ATOM 506 O LEU A 39 -3.115 -1.635 -5.942 1.00 0.00 O ATOM 507 CB LEU A 39 -2.410 0.433 -3.705 1.00 0.00 C ATOM 508 CG LEU A 39 -1.882 1.099 -2.418 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.385 1.363 -2.488 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.626 2.386 -2.118 1.00 0.00 C ATOM 0 H LEU A 39 -0.625 -0.457 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.797 -1.460 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.117 1.046 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.500 0.432 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.062 0.396 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.055 1.833 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.145 0.420 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.171 2.025 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.230 2.831 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.497 3.082 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.686 2.171 -1.987 1.00 0.00 H new ATOM 522 N LEU A 40 -3.602 -2.769 -4.054 1.00 0.00 N ATOM 523 CA LEU A 40 -4.447 -3.766 -4.710 1.00 0.00 C ATOM 524 C LEU A 40 -5.887 -3.760 -4.206 1.00 0.00 C ATOM 525 O LEU A 40 -6.223 -3.115 -3.213 1.00 0.00 O ATOM 526 CB LEU A 40 -3.906 -5.181 -4.473 1.00 0.00 C ATOM 527 CG LEU A 40 -2.460 -5.458 -4.876 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.264 -6.959 -4.983 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.079 -4.781 -6.187 1.00 0.00 C ATOM 0 H LEU A 40 -3.561 -2.862 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.432 -3.498 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.009 -5.407 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.545 -5.880 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.807 -5.040 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.234 -7.172 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.475 -7.423 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.942 -7.362 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.041 -5.011 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.725 -5.145 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.198 -3.702 -6.087 1.00 0.00 H new ATOM 541 N LYS A 41 -6.718 -4.512 -4.924 1.00 0.00 N ATOM 542 CA LYS A 41 -8.066 -4.860 -4.506 1.00 0.00 C ATOM 543 C LYS A 41 -8.190 -6.359 -4.586 1.00 0.00 C ATOM 544 O LYS A 41 -8.214 -6.883 -5.692 1.00 0.00 O ATOM 545 CB LYS A 41 -9.129 -4.272 -5.450 1.00 0.00 C ATOM 546 CG LYS A 41 -8.689 -2.994 -6.163 1.00 0.00 C ATOM 547 CD LYS A 41 -9.729 -2.444 -7.170 1.00 0.00 C ATOM 548 CE LYS A 41 -11.053 -2.033 -6.506 1.00 0.00 C ATOM 549 NZ LYS A 41 -10.834 -1.031 -5.433 1.00 0.00 N ATOM 0 H LYS A 41 -6.464 -4.903 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.228 -4.467 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.391 -5.021 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.033 -4.064 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.481 -2.227 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.755 -3.188 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.306 -1.582 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.929 -3.202 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.726 -1.621 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.541 -2.914 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.588 -0.315 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.848 -1.505 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.912 -0.570 -5.572 1.00 0.00 H new ATOM 563 N ASN A 42 -8.295 -7.048 -3.446 1.00 0.00 N ATOM 564 CA ASN A 42 -8.378 -8.516 -3.432 1.00 0.00 C ATOM 565 C ASN A 42 -7.450 -9.143 -4.473 1.00 0.00 C ATOM 566 O ASN A 42 -7.854 -9.998 -5.266 1.00 0.00 O ATOM 567 CB ASN A 42 -9.838 -8.992 -3.617 1.00 0.00 C ATOM 568 CG ASN A 42 -10.628 -8.160 -4.618 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.793 -8.540 -5.780 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.089 -6.993 -4.172 1.00 0.00 N ATOM 0 H ASN A 42 -8.325 -6.617 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.039 -8.855 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.834 -10.032 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.346 -8.964 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.602 -6.374 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.930 -6.719 -3.203 1.00 0.00 H new ATOM 577 N GLY A 43 -6.193 -8.707 -4.445 1.00 0.00 N ATOM 578 CA GLY A 43 -5.205 -9.206 -5.382 1.00 0.00 C ATOM 579 C GLY A 43 -5.354 -8.658 -6.797 1.00 0.00 C ATOM 580 O GLY A 43 -4.928 -9.302 -7.756 1.00 0.00 O ATOM 0 H GLY A 43 -5.841 -8.013 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.211 -8.958 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.270 -10.294 -5.417 1.00 0.00 H new ATOM 584 N GLU A 44 -5.941 -7.481 -6.943 1.00 0.00 N ATOM 585 CA GLU A 44 -6.121 -6.885 -8.260 1.00 0.00 C ATOM 586 C GLU A 44 -5.550 -5.467 -8.273 1.00 0.00 C ATOM 587 O GLU A 44 -5.959 -4.618 -7.486 1.00 0.00 O ATOM 588 CB GLU A 44 -7.599 -6.880 -8.653 1.00 0.00 C ATOM 589 CG GLU A 44 -7.820 -6.699 -10.148 1.00 0.00 C ATOM 590 CD GLU A 44 -7.097 -7.761 -10.947 1.00 0.00 C ATOM 591 OE1 GLU A 44 -5.960 -7.504 -11.395 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.644 -8.874 -11.098 1.00 0.00 O ATOM 0 H GLU A 44 -6.300 -6.920 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.582 -7.484 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.056 -7.817 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.108 -6.079 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.887 -6.741 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.470 -5.712 -10.452 1.00 0.00 H new ATOM 599 N ARG A 45 -4.582 -5.242 -9.149 1.00 0.00 N ATOM 600 CA ARG A 45 -3.866 -3.969 -9.218 1.00 0.00 C ATOM 601 C ARG A 45 -4.814 -2.808 -9.558 1.00 0.00 C ATOM 602 O ARG A 45 -5.501 -2.821 -10.581 1.00 0.00 O ATOM 603 CB ARG A 45 -2.735 -4.087 -10.257 1.00 0.00 C ATOM 604 CG ARG A 45 -1.460 -3.339 -9.889 1.00 0.00 C ATOM 605 CD ARG A 45 -0.334 -3.623 -10.886 1.00 0.00 C ATOM 606 NE ARG A 45 0.068 -5.026 -10.846 1.00 0.00 N ATOM 607 CZ ARG A 45 1.313 -5.438 -10.625 1.00 0.00 C ATOM 608 NH1 ARG A 45 2.286 -4.556 -10.423 1.00 0.00 N ATOM 609 NH2 ARG A 45 1.578 -6.735 -10.601 1.00 0.00 N ATOM 0 H ARG A 45 -4.269 -5.932 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.437 -3.748 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.495 -5.141 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.098 -3.713 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.661 -2.268 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.143 -3.630 -8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.663 -3.365 -11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.524 -2.990 -10.659 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.651 -5.734 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.080 -3.557 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.239 -4.878 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.829 -7.411 -10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.531 -7.058 -10.432 1.00 0.00 H new ATOM 623 N ILE A 46 -4.837 -1.814 -8.657 1.00 0.00 N ATOM 624 CA ILE A 46 -5.696 -0.629 -8.774 1.00 0.00 C ATOM 625 C ILE A 46 -5.276 0.212 -9.956 1.00 0.00 C ATOM 626 O ILE A 46 -5.926 0.156 -10.994 1.00 0.00 O ATOM 627 CB ILE A 46 -5.632 0.201 -7.463 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.963 -0.713 -6.274 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.577 1.411 -7.476 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.926 -0.046 -4.918 1.00 0.00 C ATOM 0 H ILE A 46 -4.254 -1.812 -7.820 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.724 -0.952 -8.935 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.621 0.597 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.956 -1.135 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.260 -1.546 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.488 1.952 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.310 2.072 -8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.604 1.069 -7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.174 -0.775 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.927 0.351 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.650 0.768 -4.893 1.00 0.00 H new ATOM 642 N GLU A 47 -4.229 1.013 -9.741 1.00 0.00 N ATOM 643 CA GLU A 47 -3.440 1.661 -10.798 1.00 0.00 C ATOM 644 C GLU A 47 -3.172 3.122 -10.472 1.00 0.00 C ATOM 645 O GLU A 47 -2.117 3.649 -10.829 1.00 0.00 O ATOM 646 CB GLU A 47 -4.077 1.615 -12.206 1.00 0.00 C ATOM 647 CG GLU A 47 -3.194 0.998 -13.263 1.00 0.00 C ATOM 648 CD GLU A 47 -3.952 0.690 -14.534 1.00 0.00 C ATOM 649 OE1 GLU A 47 -4.342 -0.479 -14.733 1.00 0.00 O ATOM 650 OE2 GLU A 47 -4.180 1.622 -15.335 1.00 0.00 O ATOM 0 H GLU A 47 -3.896 1.236 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.520 1.077 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.009 1.052 -12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.334 2.630 -12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.372 1.677 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.752 0.080 -12.874 1.00 0.00 H new ATOM 657 N LYS A 48 -4.114 3.788 -9.800 1.00 0.00 N ATOM 658 CA LYS A 48 -4.001 5.223 -9.552 1.00 0.00 C ATOM 659 C LYS A 48 -3.078 5.474 -8.371 1.00 0.00 C ATOM 660 O LYS A 48 -3.446 6.160 -7.419 1.00 0.00 O ATOM 661 CB LYS A 48 -5.381 5.842 -9.250 1.00 0.00 C ATOM 662 CG LYS A 48 -6.515 5.443 -10.206 1.00 0.00 C ATOM 663 CD LYS A 48 -6.129 5.605 -11.665 1.00 0.00 C ATOM 664 CE LYS A 48 -5.617 7.007 -11.975 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.109 7.109 -13.366 1.00 0.00 N ATOM 0 H LYS A 48 -4.958 3.358 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.593 5.688 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.670 5.563 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.283 6.927 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.794 4.406 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.394 6.052 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.360 4.875 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.993 5.389 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.420 7.729 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.821 7.267 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.769 8.076 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.326 6.437 -13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.875 6.885 -14.033 1.00 0.00 H new ATOM 679 N VAL A 49 -1.879 4.931 -8.438 1.00 0.00 N ATOM 680 CA VAL A 49 -0.948 5.039 -7.339 1.00 0.00 C ATOM 681 C VAL A 49 0.329 5.692 -7.847 1.00 0.00 C ATOM 682 O VAL A 49 0.893 5.282 -8.865 1.00 0.00 O ATOM 683 CB VAL A 49 -0.669 3.658 -6.670 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.750 3.163 -6.902 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.950 3.725 -5.182 1.00 0.00 C ATOM 0 H VAL A 49 -1.529 4.411 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.386 5.661 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.342 2.943 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.883 2.198 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.927 3.055 -7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.458 3.881 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.750 2.753 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.308 4.477 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.994 3.993 -5.021 1.00 0.00 H new ATOM 695 N GLU A 50 0.743 6.740 -7.173 1.00 0.00 N ATOM 696 CA GLU A 50 1.917 7.488 -7.605 1.00 0.00 C ATOM 697 C GLU A 50 2.732 7.960 -6.414 1.00 0.00 C ATOM 698 O GLU A 50 2.275 8.796 -5.640 1.00 0.00 O ATOM 699 CB GLU A 50 1.506 8.714 -8.447 1.00 0.00 C ATOM 700 CG GLU A 50 0.852 8.417 -9.802 1.00 0.00 C ATOM 701 CD GLU A 50 0.362 9.681 -10.475 1.00 0.00 C ATOM 702 OE1 GLU A 50 1.207 10.527 -10.845 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.868 9.835 -10.644 1.00 0.00 O ATOM 0 H GLU A 50 0.294 7.097 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 50 2.524 6.816 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.815 9.318 -7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.393 9.323 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.570 7.914 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.016 7.732 -9.660 1.00 0.00 H new ATOM 921 N LEU A 64 8.316 4.525 4.031 1.00 0.00 N ATOM 922 CA LEU A 64 7.852 4.327 2.651 1.00 0.00 C ATOM 923 C LEU A 64 6.331 4.327 2.614 1.00 0.00 C ATOM 924 O LEU A 64 5.690 3.553 3.331 1.00 0.00 O ATOM 925 CB LEU A 64 8.344 2.969 2.128 1.00 0.00 C ATOM 926 CG LEU A 64 9.651 2.965 1.331 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.237 1.563 1.298 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.401 3.461 -0.088 1.00 0.00 C ATOM 0 HA LEU A 64 8.244 5.134 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.465 2.301 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.562 2.544 1.499 1.00 0.00 H new ATOM 0 HG LEU A 64 10.362 3.633 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.167 1.570 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.437 1.228 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.528 0.883 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.337 3.454 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.680 2.808 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.006 4.476 -0.054 1.00 0.00 H new ATOM 940 N LEU A 65 5.752 5.192 1.788 1.00 0.00 N ATOM 941 CA LEU A 65 4.306 5.248 1.638 1.00 0.00 C ATOM 942 C LEU A 65 3.923 5.626 0.205 1.00 0.00 C ATOM 943 O LEU A 65 4.618 6.402 -0.446 1.00 0.00 O ATOM 944 CB LEU A 65 3.739 6.279 2.625 1.00 0.00 C ATOM 945 CG LEU A 65 2.235 6.537 2.544 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.459 5.292 2.933 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.852 7.710 3.433 1.00 0.00 C ATOM 0 H LEU A 65 6.263 5.862 1.214 1.00 0.00 H new ATOM 0 HA LEU A 65 3.887 4.264 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.976 5.950 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.257 7.225 2.467 1.00 0.00 H new ATOM 0 HG LEU A 65 1.980 6.788 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.390 5.495 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.715 4.477 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.714 5.008 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.778 7.882 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.119 7.486 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.384 8.603 3.106 1.00 0.00 H new ATOM 959 N TYR A 66 2.822 5.055 -0.270 1.00 0.00 N ATOM 960 CA TYR A 66 2.271 5.357 -1.588 1.00 0.00 C ATOM 961 C TYR A 66 0.796 5.713 -1.409 1.00 0.00 C ATOM 962 O TYR A 66 0.203 5.339 -0.394 1.00 0.00 O ATOM 963 CB TYR A 66 2.423 4.134 -2.513 1.00 0.00 C ATOM 964 CG TYR A 66 3.869 3.824 -2.880 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.345 4.068 -4.162 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.757 3.298 -1.943 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.657 3.796 -4.505 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.073 3.026 -2.281 1.00 0.00 C ATOM 969 CZ TYR A 66 6.515 3.278 -3.561 1.00 0.00 C ATOM 970 OH TYR A 66 7.820 3.007 -3.899 1.00 0.00 O ATOM 0 H TYR A 66 2.282 4.364 0.252 1.00 0.00 H new ATOM 0 HA TYR A 66 2.803 6.192 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.986 3.263 -2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.854 4.307 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.678 4.478 -4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.414 3.099 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.007 3.989 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.749 2.618 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 66 8.292 2.647 -3.119 1.00 0.00 H new ATOM 980 N TYR A 67 0.189 6.415 -2.362 1.00 0.00 N ATOM 981 CA TYR A 67 -1.199 6.841 -2.185 1.00 0.00 C ATOM 982 C TYR A 67 -2.051 6.598 -3.435 1.00 0.00 C ATOM 983 O TYR A 67 -1.594 6.801 -4.561 1.00 0.00 O ATOM 984 CB TYR A 67 -1.290 8.314 -1.730 1.00 0.00 C ATOM 985 CG TYR A 67 -0.422 9.302 -2.495 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.796 9.736 -1.975 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.826 9.822 -3.721 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.580 10.651 -2.656 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.045 10.734 -4.407 1.00 0.00 C ATOM 990 CZ TYR A 67 1.156 11.143 -3.870 1.00 0.00 C ATOM 991 OH TYR A 67 1.933 12.054 -4.550 1.00 0.00 O ATOM 0 H TYR A 67 0.620 6.696 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.612 6.218 -1.391 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.329 8.635 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.021 8.365 -0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.134 9.352 -1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.768 9.507 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.520 10.978 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.375 11.124 -5.359 1.00 0.00 H new ATOM 0 HH TYR A 67 1.491 12.299 -5.389 1.00 0.00 H new ATOM 1001 N THR A 68 -3.290 6.141 -3.215 1.00 0.00 N ATOM 1002 CA THR A 68 -4.248 5.894 -4.294 1.00 0.00 C ATOM 1003 C THR A 68 -5.656 6.307 -3.835 1.00 0.00 C ATOM 1004 O THR A 68 -6.007 6.153 -2.659 1.00 0.00 O ATOM 1005 CB THR A 68 -4.244 4.403 -4.745 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.704 4.300 -6.093 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.134 3.530 -3.879 1.00 0.00 C ATOM 0 H THR A 68 -3.654 5.933 -2.285 1.00 0.00 H new ATOM 0 HA THR A 68 -3.950 6.493 -5.154 1.00 0.00 H new ATOM 0 HB THR A 68 -3.216 4.053 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.573 5.157 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.094 2.501 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.787 3.568 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.161 3.893 -3.931 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.423 6.887 -4.755 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.809 7.295 -4.500 1.00 0.00 C ATOM 1017 C GLU A 69 -8.704 6.067 -4.294 1.00 0.00 C ATOM 1018 O GLU A 69 -8.616 5.111 -5.069 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.305 8.074 -5.725 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.320 9.164 -5.428 1.00 0.00 C ATOM 1021 CD GLU A 69 -8.680 10.452 -4.963 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -8.837 10.805 -3.779 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -8.029 11.123 -5.792 1.00 0.00 O ATOM 0 H GLU A 69 -6.103 7.089 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.850 7.908 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.446 8.525 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.747 7.370 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.909 9.359 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.012 8.811 -4.663 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.577 6.073 -3.278 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.397 4.891 -3.015 1.00 0.00 C ATOM 1032 C PHE A 70 -11.839 5.220 -2.689 1.00 0.00 C ATOM 1033 O PHE A 70 -12.145 6.310 -2.266 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.774 4.069 -1.882 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.981 4.570 -0.461 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.887 4.789 0.358 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.245 4.797 0.064 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.054 5.224 1.663 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.411 5.236 1.360 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.320 5.448 2.161 1.00 0.00 C ATOM 0 H PHE A 70 -9.729 6.858 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.415 4.309 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.170 3.055 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.701 4.003 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.891 4.619 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.114 4.627 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.191 5.388 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.404 5.413 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.451 5.789 3.177 1.00 0.00 H new ATOM 1050 N THR A 71 -12.722 4.262 -2.896 1.00 0.00 N ATOM 1051 CA THR A 71 -14.095 4.390 -2.429 1.00 0.00 C ATOM 1052 C THR A 71 -14.619 3.037 -1.925 1.00 0.00 C ATOM 1053 O THR A 71 -14.794 2.109 -2.718 1.00 0.00 O ATOM 1054 CB THR A 71 -14.973 4.943 -3.574 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.384 6.152 -4.069 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.384 5.235 -3.104 1.00 0.00 C ATOM 0 H THR A 71 -12.518 3.389 -3.382 1.00 0.00 H new ATOM 0 HA THR A 71 -14.133 5.087 -1.592 1.00 0.00 H new ATOM 0 HB THR A 71 -15.027 4.188 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.934 6.509 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.972 5.622 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.841 4.318 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.355 5.975 -2.305 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.833 2.872 -0.589 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.255 1.587 -0.035 1.00 0.00 C ATOM 1066 C PRO A 72 -16.677 1.228 -0.388 1.00 0.00 C ATOM 1067 O PRO A 72 -17.578 2.068 -0.399 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.111 1.723 1.484 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.738 3.147 1.770 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.671 3.903 0.466 1.00 0.00 C ATOM 0 HA PRO A 72 -14.642 0.787 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.044 1.462 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.347 1.043 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.472 3.604 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.776 3.190 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.458 4.655 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.721 4.427 0.363 1.00 0.00 H new ATOM 1078 N THR A 73 -16.838 -0.044 -0.668 1.00 0.00 N ATOM 1079 CA THR A 73 -18.115 -0.639 -0.983 1.00 0.00 C ATOM 1080 C THR A 73 -18.267 -1.895 -0.134 1.00 0.00 C ATOM 1081 O THR A 73 -17.281 -2.377 0.428 1.00 0.00 O ATOM 1082 CB THR A 73 -18.182 -1.001 -2.486 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.141 -1.934 -2.806 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.023 0.240 -3.351 1.00 0.00 C ATOM 0 H THR A 73 -16.065 -0.710 -0.683 1.00 0.00 H new ATOM 0 HA THR A 73 -18.921 0.063 -0.770 1.00 0.00 H new ATOM 0 HB THR A 73 -19.157 -1.446 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.188 -2.162 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.074 -0.041 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.822 0.946 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.059 0.706 -3.146 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.481 -2.413 -0.012 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.702 -3.686 0.667 1.00 0.00 C ATOM 1094 C GLU A 74 -18.988 -4.853 -0.062 1.00 0.00 C ATOM 1095 O GLU A 74 -18.938 -5.977 0.435 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.224 -3.934 0.805 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.591 -5.345 1.213 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.217 -5.651 2.649 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.898 -5.152 3.564 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -20.243 -6.393 2.875 1.00 0.00 O ATOM 0 H GLU A 74 -20.328 -1.974 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.265 -3.638 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.628 -3.239 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.705 -3.707 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.663 -5.490 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.090 -6.052 0.552 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.403 -4.583 -1.222 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.812 -5.647 -2.028 1.00 0.00 C ATOM 1109 C LYS A 75 -16.277 -5.599 -2.135 1.00 0.00 C ATOM 1110 O LYS A 75 -15.649 -6.653 -2.255 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.417 -5.638 -3.441 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.930 -5.890 -3.518 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.279 -7.378 -3.570 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.258 -8.049 -2.201 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.716 -9.459 -2.274 1.00 0.00 N ATOM 0 H LYS A 75 -18.325 -3.649 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.052 -6.571 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.204 -4.673 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.910 -6.396 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.414 -5.438 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.332 -5.396 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.269 -7.497 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.574 -7.887 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.247 -8.015 -1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.897 -7.494 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.688 -9.883 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.690 -9.489 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.091 -9.994 -2.910 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.654 -4.422 -2.108 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.234 -4.346 -2.446 1.00 0.00 C ATOM 1131 C ASP A 76 -13.310 -4.325 -1.217 1.00 0.00 C ATOM 1132 O ASP A 76 -13.529 -3.587 -0.253 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.943 -3.137 -3.329 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.511 -3.149 -3.790 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.155 -4.046 -4.579 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.744 -2.262 -3.384 1.00 0.00 O ATOM 0 H ASP A 76 -16.093 -3.534 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.016 -5.262 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.608 -3.142 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.145 -2.219 -2.776 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.274 -5.153 -1.301 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.234 -5.302 -0.282 1.00 0.00 C ATOM 1143 C GLU A 77 -9.956 -4.620 -0.778 1.00 0.00 C ATOM 1144 O GLU A 77 -9.598 -4.761 -1.949 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.015 -6.813 -0.059 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.944 -7.202 0.949 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.589 -7.380 0.303 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -7.738 -6.496 0.446 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.378 -8.424 -0.350 1.00 0.00 O ATOM 0 H GLU A 77 -12.128 -5.761 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.521 -4.837 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.960 -7.251 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.762 -7.266 -1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.879 -6.435 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.233 -8.129 1.444 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.270 -3.892 0.098 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.075 -3.141 -0.299 1.00 0.00 C ATOM 1158 C TYR A 78 -6.831 -3.716 0.366 1.00 0.00 C ATOM 1159 O TYR A 78 -6.769 -3.838 1.593 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.206 -1.650 0.052 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.251 -0.908 -0.750 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.600 -1.061 -0.471 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.886 -0.043 -1.773 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.560 -0.375 -1.191 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.840 0.643 -2.499 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.174 0.475 -2.204 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.123 1.163 -2.927 1.00 0.00 O ATOM 0 H TYR A 78 -9.516 -3.804 1.084 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.978 -3.234 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.446 -1.559 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.240 -1.168 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.906 -1.727 0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.840 0.096 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.607 -0.505 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.540 1.309 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.001 1.048 -2.507 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.835 -4.043 -0.451 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.636 -4.726 0.017 1.00 0.00 C ATOM 1179 C ALA A 79 -3.383 -4.043 -0.518 1.00 0.00 C ATOM 1180 O ALA A 79 -3.435 -3.366 -1.539 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.664 -6.178 -0.431 1.00 0.00 C ATOM 0 H ALA A 79 -5.837 -3.843 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.614 -4.683 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.766 -6.685 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.544 -6.670 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.703 -6.222 -1.519 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.261 -4.216 0.165 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.018 -3.594 -0.265 1.00 0.00 C ATOM 1189 C CYS A 80 0.099 -4.655 -0.371 1.00 0.00 C ATOM 1190 O CYS A 80 0.407 -5.342 0.601 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.691 -2.464 0.718 1.00 0.00 C ATOM 1192 SG CYS A 80 -1.990 -1.179 0.789 1.00 0.00 S ATOM 0 H CYS A 80 -2.186 -4.778 1.013 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.112 -3.161 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.550 -2.885 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.254 -2.002 0.431 1.00 0.00 H new ATOM 1197 N ARG A 81 0.662 -4.804 -1.577 1.00 0.00 N ATOM 1198 CA ARG A 81 1.609 -5.891 -1.899 1.00 0.00 C ATOM 1199 C ARG A 81 3.056 -5.394 -1.843 1.00 0.00 C ATOM 1200 O ARG A 81 3.345 -4.307 -2.335 1.00 0.00 O ATOM 1201 CB ARG A 81 1.305 -6.381 -3.321 1.00 0.00 C ATOM 1202 CG ARG A 81 1.845 -7.773 -3.689 1.00 0.00 C ATOM 1203 CD ARG A 81 1.376 -8.187 -5.093 1.00 0.00 C ATOM 1204 NE ARG A 81 1.854 -7.222 -6.089 1.00 0.00 N ATOM 1205 CZ ARG A 81 2.752 -7.501 -7.040 1.00 0.00 C ATOM 1206 NH1 ARG A 81 3.162 -8.750 -7.227 1.00 0.00 N ATOM 1207 NH2 ARG A 81 3.240 -6.526 -7.805 1.00 0.00 N ATOM 0 H ARG A 81 0.477 -4.177 -2.360 1.00 0.00 H new ATOM 0 HA ARG A 81 1.494 -6.694 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.224 -6.386 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.713 -5.658 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.934 -7.767 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.505 -8.505 -2.957 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.750 -9.183 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.288 -8.241 -5.120 1.00 0.00 H new ATOM 0 HE ARG A 81 1.476 -6.275 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.792 -9.501 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.847 -8.959 -7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.929 -5.565 -7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.925 -6.741 -8.530 1.00 0.00 H new ATOM 1221 N VAL A 82 3.960 -6.177 -1.245 1.00 0.00 N ATOM 1222 CA VAL A 82 5.377 -5.793 -1.227 1.00 0.00 C ATOM 1223 C VAL A 82 6.316 -6.984 -1.434 1.00 0.00 C ATOM 1224 O VAL A 82 6.073 -8.088 -0.942 1.00 0.00 O ATOM 1225 CB VAL A 82 5.757 -5.050 0.074 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.115 -6.021 1.187 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.896 -4.079 -0.191 1.00 0.00 C ATOM 0 H VAL A 82 3.745 -7.058 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 82 5.506 -5.114 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 82 4.887 -4.484 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.377 -5.463 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.261 -6.666 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.964 -6.631 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.155 -3.561 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.764 -4.628 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.586 -3.351 -0.940 1.00 0.00 H new ATOM 1237 N ASN A 83 7.379 -6.733 -2.190 1.00 0.00 N ATOM 1238 CA ASN A 83 8.410 -7.736 -2.453 1.00 0.00 C ATOM 1239 C ASN A 83 9.802 -7.126 -2.424 1.00 0.00 C ATOM 1240 O ASN A 83 10.003 -5.980 -2.828 1.00 0.00 O ATOM 1241 CB ASN A 83 8.175 -8.409 -3.810 1.00 0.00 C ATOM 1242 CG ASN A 83 9.023 -9.656 -3.997 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.369 -10.336 -3.032 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.359 -9.971 -5.241 1.00 0.00 N ATOM 0 H ASN A 83 7.552 -5.833 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 83 8.344 -8.483 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.122 -8.673 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.398 -7.700 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.923 -10.801 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.053 -9.383 -6.016 1.00 0.00 H new ATOM 1251 N HIS A 84 10.748 -7.908 -1.925 1.00 0.00 N ATOM 1252 CA HIS A 84 12.157 -7.544 -1.921 1.00 0.00 C ATOM 1253 C HIS A 84 12.959 -8.745 -2.414 1.00 0.00 C ATOM 1254 O HIS A 84 12.454 -9.865 -2.406 1.00 0.00 O ATOM 1255 CB HIS A 84 12.601 -7.148 -0.505 1.00 0.00 C ATOM 1256 CG HIS A 84 13.953 -6.496 -0.446 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.105 -7.239 -0.356 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.280 -5.181 -0.476 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.100 -6.366 -0.337 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.649 -5.106 -0.409 1.00 0.00 N ATOM 0 H HIS A 84 10.558 -8.819 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 84 12.326 -6.689 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.863 -6.467 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.611 -8.039 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.594 -4.350 -0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.144 -6.635 -0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.213 -4.256 -0.413 1.00 0.00 H new ATOM 1268 N VAL A 85 14.194 -8.507 -2.850 1.00 0.00 N ATOM 1269 CA VAL A 85 15.061 -9.577 -3.370 1.00 0.00 C ATOM 1270 C VAL A 85 15.378 -10.625 -2.293 1.00 0.00 C ATOM 1271 O VAL A 85 15.999 -11.652 -2.571 1.00 0.00 O ATOM 1272 CB VAL A 85 16.388 -9.020 -3.950 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.145 -10.094 -4.728 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.127 -7.817 -4.838 1.00 0.00 C ATOM 0 H VAL A 85 14.623 -7.582 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 85 14.502 -10.054 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 85 17.007 -8.706 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.070 -9.674 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.378 -10.927 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.527 -10.449 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.072 -7.444 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.478 -8.108 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.643 -7.033 -4.256 1.00 0.00 H new ATOM 1284 N THR A 86 14.961 -10.370 -1.059 1.00 0.00 N ATOM 1285 CA THR A 86 15.133 -11.356 0.001 1.00 0.00 C ATOM 1286 C THR A 86 13.979 -12.367 -0.025 1.00 0.00 C ATOM 1287 O THR A 86 14.211 -13.577 -0.011 1.00 0.00 O ATOM 1288 CB THR A 86 15.273 -10.705 1.404 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.362 -11.719 2.412 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.109 -9.771 1.718 1.00 0.00 C ATOM 0 H THR A 86 14.508 -9.503 -0.770 1.00 0.00 H new ATOM 0 HA THR A 86 16.069 -11.880 -0.190 1.00 0.00 H new ATOM 0 HB THR A 86 16.187 -10.111 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.452 -11.298 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.247 -9.337 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.071 -8.974 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.175 -10.333 1.695 1.00 0.00 H new ATOM 1298 N LEU A 87 12.738 -11.875 -0.067 1.00 0.00 N ATOM 1299 CA LEU A 87 11.578 -12.751 -0.243 1.00 0.00 C ATOM 1300 C LEU A 87 11.600 -13.400 -1.626 1.00 0.00 C ATOM 1301 O LEU A 87 12.163 -12.851 -2.575 1.00 0.00 O ATOM 1302 CB LEU A 87 10.265 -11.972 -0.112 1.00 0.00 C ATOM 1303 CG LEU A 87 10.156 -11.007 1.067 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.897 -10.176 0.929 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.166 -11.764 2.388 1.00 0.00 C ATOM 0 H LEU A 87 12.512 -10.884 0.018 1.00 0.00 H new ATOM 0 HA LEU A 87 11.634 -13.511 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.112 -11.406 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.448 -12.691 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 87 11.019 -10.342 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.821 -9.488 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.936 -9.608 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.027 -10.833 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.087 -11.056 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.322 -12.453 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.096 -12.325 2.479 1.00 0.00 H new ATOM 1317 N SER A 88 10.999 -14.572 -1.732 1.00 0.00 N ATOM 1318 CA SER A 88 10.780 -15.211 -3.022 1.00 0.00 C ATOM 1319 C SER A 88 9.306 -15.089 -3.406 1.00 0.00 C ATOM 1320 O SER A 88 8.885 -15.480 -4.496 1.00 0.00 O ATOM 1321 CB SER A 88 11.206 -16.677 -2.955 1.00 0.00 C ATOM 1322 OG SER A 88 10.606 -17.332 -1.852 1.00 0.00 O ATOM 0 H SER A 88 10.651 -15.105 -0.935 1.00 0.00 H new ATOM 0 HA SER A 88 11.382 -14.716 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.926 -17.183 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.291 -16.740 -2.873 1.00 0.00 H new ATOM 0 HG SER A 88 10.893 -18.269 -1.832 1.00 0.00 H new ATOM 1328 N GLN A 89 8.537 -14.538 -2.478 1.00 0.00 N ATOM 1329 CA GLN A 89 7.116 -14.307 -2.677 1.00 0.00 C ATOM 1330 C GLN A 89 6.685 -13.022 -1.962 1.00 0.00 C ATOM 1331 O GLN A 89 6.906 -12.886 -0.758 1.00 0.00 O ATOM 1332 CB GLN A 89 6.291 -15.500 -2.154 1.00 0.00 C ATOM 1333 CG GLN A 89 6.548 -15.868 -0.689 1.00 0.00 C ATOM 1334 CD GLN A 89 5.594 -16.930 -0.171 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.948 -17.733 0.693 1.00 0.00 O ATOM 1336 NE2 GLN A 89 4.367 -16.927 -0.674 1.00 0.00 N ATOM 0 H GLN A 89 8.882 -14.239 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 89 6.933 -14.200 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.232 -15.272 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.504 -16.370 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.573 -16.224 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.457 -14.973 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.111 -16.246 -1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.680 -17.606 -0.346 1.00 0.00 H new ATOM 1345 N PRO A 90 6.101 -12.039 -2.682 1.00 0.00 N ATOM 1346 CA PRO A 90 5.565 -10.841 -2.035 1.00 0.00 C ATOM 1347 C PRO A 90 4.358 -11.152 -1.181 1.00 0.00 C ATOM 1348 O PRO A 90 3.667 -12.149 -1.394 1.00 0.00 O ATOM 1349 CB PRO A 90 5.159 -9.917 -3.172 1.00 0.00 C ATOM 1350 CG PRO A 90 5.038 -10.790 -4.381 1.00 0.00 C ATOM 1351 CD PRO A 90 5.952 -11.994 -4.155 1.00 0.00 C ATOM 0 HA PRO A 90 6.308 -10.398 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.215 -9.419 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.903 -9.136 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.006 -11.110 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.330 -10.247 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.511 -12.912 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.914 -11.868 -4.653 1.00 0.00 H new ATOM 1359 N LYS A 91 4.099 -10.293 -0.218 1.00 0.00 N ATOM 1360 CA LYS A 91 3.003 -10.516 0.699 1.00 0.00 C ATOM 1361 C LYS A 91 1.907 -9.480 0.482 1.00 0.00 C ATOM 1362 O LYS A 91 2.171 -8.353 0.058 1.00 0.00 O ATOM 1363 CB LYS A 91 3.486 -10.482 2.159 1.00 0.00 C ATOM 1364 CG LYS A 91 4.681 -11.397 2.467 1.00 0.00 C ATOM 1365 CD LYS A 91 4.525 -12.784 1.843 1.00 0.00 C ATOM 1366 CE LYS A 91 5.253 -13.880 2.630 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.857 -13.907 4.062 1.00 0.00 N ATOM 0 H LYS A 91 4.630 -9.438 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 91 2.595 -11.507 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.757 -9.457 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.656 -10.762 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.595 -10.934 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.791 -11.497 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.465 -13.032 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.907 -12.762 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.041 -14.849 2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.329 -13.723 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.654 -14.886 4.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.632 -13.530 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.007 -13.324 4.198 1.00 0.00 H new ATOM 1381 N ILE A 92 0.685 -9.888 0.765 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.455 -8.989 0.696 1.00 0.00 C ATOM 1383 C ILE A 92 -0.947 -8.664 2.095 1.00 0.00 C ATOM 1384 O ILE A 92 -1.099 -9.551 2.940 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.622 -9.532 -0.195 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.611 -8.865 -1.573 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.979 -9.313 0.444 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.340 -7.386 -1.512 1.00 0.00 C ATOM 0 H ILE A 92 0.454 -10.841 1.046 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.109 -8.077 0.210 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.457 -10.604 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.853 -9.342 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.572 -9.032 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.757 -9.706 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.017 -9.829 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.140 -8.246 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.346 -6.973 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.112 -6.899 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.366 -7.213 -1.055 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.160 -7.382 2.344 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.753 -6.925 3.585 1.00 0.00 C ATOM 1402 C VAL A 93 -3.073 -6.262 3.275 1.00 0.00 C ATOM 1403 O VAL A 93 -3.131 -5.321 2.488 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.841 -5.938 4.340 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.443 -4.754 3.477 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.503 -5.455 5.618 1.00 0.00 C ATOM 0 H VAL A 93 -0.927 -6.633 1.692 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.896 -7.790 4.232 1.00 0.00 H new ATOM 0 HB VAL A 93 0.068 -6.482 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.199 -4.085 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.095 -5.109 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.337 -4.216 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.839 -4.760 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.438 -4.951 5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.708 -6.307 6.266 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.130 -6.762 3.859 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.444 -6.255 3.553 1.00 0.00 C ATOM 1418 C LYS A 94 -5.948 -5.397 4.696 1.00 0.00 C ATOM 1419 O LYS A 94 -5.641 -5.650 5.864 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.390 -7.413 3.282 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.850 -8.374 2.238 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.513 -9.729 2.351 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.990 -10.489 3.554 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.666 -11.115 3.295 1.00 0.00 N ATOM 0 H LYS A 94 -4.109 -7.516 4.546 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.395 -5.634 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.571 -7.955 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.351 -7.022 2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.018 -7.965 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.772 -8.482 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.592 -9.604 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.329 -10.305 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.908 -9.810 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.707 -11.262 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.466 -11.821 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.678 -11.580 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.928 -10.383 3.307 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.697 -4.371 4.351 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.211 -3.446 5.346 1.00 0.00 C ATOM 1440 C TRP A 95 -8.466 -4.026 5.999 1.00 0.00 C ATOM 1441 O TRP A 95 -9.444 -4.354 5.322 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.474 -2.055 4.727 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.061 -1.051 5.689 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.592 -0.722 6.934 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.221 -0.226 5.474 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.391 0.221 7.508 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.400 0.546 6.643 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.130 -0.066 4.413 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.448 1.448 6.788 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.165 0.839 4.554 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.323 1.582 5.730 1.00 0.00 C ATOM 0 H TRP A 95 -6.965 -4.154 3.391 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.459 -3.309 6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.536 -1.661 4.335 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.151 -2.169 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.714 -1.149 7.395 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.258 0.622 8.437 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.021 -0.640 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.572 2.022 7.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.864 0.975 3.742 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.148 2.275 5.811 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.412 -4.153 7.322 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.473 -4.789 8.097 1.00 0.00 C ATOM 1464 C ASP A 96 -10.770 -3.977 8.034 1.00 0.00 C ATOM 1465 O ASP A 96 -10.894 -2.925 8.666 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.015 -4.988 9.562 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.447 -3.730 10.194 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.133 -3.122 11.043 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.303 -3.353 9.857 1.00 0.00 O ATOM 0 H ASP A 96 -7.632 -3.818 7.887 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.678 -5.766 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.862 -5.333 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.261 -5.774 9.595 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.731 -4.480 7.247 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.047 -3.849 7.105 1.00 0.00 C ATOM 1476 C ARG A 97 -13.936 -4.673 6.181 1.00 0.00 C ATOM 1477 O ARG A 97 -15.144 -4.467 6.116 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.898 -2.411 6.566 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.609 -2.296 5.060 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.893 -2.289 4.196 1.00 0.00 C ATOM 1481 NE ARG A 97 -15.053 -1.732 4.893 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.304 -1.827 4.436 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.557 -2.478 3.303 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.304 -1.286 5.121 1.00 0.00 N ATOM 0 H ARG A 97 -11.618 -5.330 6.695 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.517 -3.804 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.814 -1.862 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.093 -1.919 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.047 -1.381 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.976 -3.128 4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.710 -1.712 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.119 -3.309 3.885 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.897 -1.245 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.794 -2.907 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.514 -2.548 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.117 -0.798 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.260 -1.359 4.772 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.335 -5.633 5.502 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.018 -6.354 4.434 1.00 0.00 C ATOM 1500 C ASP A 98 -13.324 -7.689 4.146 1.00 0.00 C ATOM 1501 O ASP A 98 -13.816 -8.504 3.366 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.042 -5.482 3.180 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.962 -6.016 2.098 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.500 -6.787 1.234 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.158 -5.662 2.115 1.00 0.00 O ATOM 0 H ASP A 98 -12.375 -5.934 5.668 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.039 -6.573 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.358 -4.475 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.031 -5.402 2.781 1.00 0.00 H new ATOM 1510 N MET A 99 -12.196 -7.927 4.809 1.00 0.00 N ATOM 1511 CA MET A 99 -11.448 -9.165 4.614 1.00 0.00 C ATOM 1512 C MET A 99 -11.978 -10.243 5.553 1.00 0.00 C ATOM 1513 CB MET A 99 -9.936 -8.969 4.837 1.00 0.00 C ATOM 1514 CG MET A 99 -9.573 -8.333 6.181 1.00 0.00 C ATOM 1515 SD MET A 99 -7.800 -8.344 6.503 1.00 0.00 S ATOM 1516 CE MET A 99 -7.520 -10.094 6.770 1.00 0.00 C ATOM 0 H MET A 99 -11.782 -7.283 5.483 1.00 0.00 H new ATOM 0 HA MET A 99 -11.588 -9.476 3.579 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.441 -9.937 4.762 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.540 -8.346 4.035 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.935 -7.305 6.201 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.086 -8.867 6.981 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.511 -10.247 7.154 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.244 -10.472 7.491 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.634 -10.629 5.827 1.00 0.00 H new