USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 826 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 87 THR OG1 : rot -139:sc= 1.6 USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= 0 X(o=0.11,f=0.08) USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0.114 USER MOD Set 3.1: A 40 CYS SG : rot 55:sc= -0.43 USER MOD Set 3.2: A 65 THR OG1 : rot 74:sc= 1.24 USER MOD Set 4.1: A 25 THR OG1 : rot -56:sc= 0.592 USER MOD Set 4.2: A 37 ASN : amide:sc= 0.596 K(o=1.2,f=-4.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 17 GLN : amide:sc= -0.0845 K(o=-0.084,f=-0.94) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.034) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -148:sc= 0.464 USER MOD Single : A 43 TYR OH : rot -71:sc= 0.54 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00217 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 72:sc= 0.734 USER MOD Single : A 75 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD Single : A 76 MET CE :methyl -159:sc= -0.551 (180deg=-1.3) USER MOD Single : A 84 SER OG : rot -65:sc= -0.113 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.429 F(o=-2.2,f=-0.43) USER MOD Single : A 100 SER OG : rot 180:sc= 0.266 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -149:sc= -4.17! (180deg=-7.35!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 46:sc= -2.19 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 16.396 7.011 -8.265 1.00 0.00 N ATOM 26 CA ILE A 3 17.563 6.464 -8.945 1.00 0.00 C ATOM 27 C ILE A 3 18.468 5.717 -7.971 1.00 0.00 C ATOM 28 O ILE A 3 18.436 5.961 -6.765 1.00 0.00 O ATOM 29 CB ILE A 3 18.379 7.570 -9.640 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.458 8.471 -10.466 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.459 6.958 -10.520 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.166 9.659 -11.079 1.00 0.00 C ATOM 0 HA ILE A 3 17.192 5.769 -9.698 1.00 0.00 H new ATOM 0 HB ILE A 3 18.862 8.179 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.002 7.880 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.648 8.829 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.027 7.752 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.129 6.355 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.996 6.328 -11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.452 10.253 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.598 10.272 -10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.958 9.309 -11.741 1.00 0.00 H new ATOM 44 N LYS A 4 19.276 4.806 -8.502 1.00 0.00 N ATOM 45 CA LYS A 4 20.193 4.024 -7.682 1.00 0.00 C ATOM 46 C LYS A 4 21.152 4.933 -6.921 1.00 0.00 C ATOM 47 O LYS A 4 21.000 6.154 -6.923 1.00 0.00 O ATOM 48 CB LYS A 4 20.983 3.046 -8.554 1.00 0.00 C ATOM 49 CG LYS A 4 20.734 1.587 -8.212 1.00 0.00 C ATOM 50 CD LYS A 4 21.784 1.053 -7.251 1.00 0.00 C ATOM 51 CE LYS A 4 21.247 0.966 -5.831 1.00 0.00 C ATOM 52 NZ LYS A 4 22.150 0.181 -4.944 1.00 0.00 N ATOM 0 H LYS A 4 19.314 4.591 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 4 19.604 3.461 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.725 3.214 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.047 3.258 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.745 1.480 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.739 0.992 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.110 0.066 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.660 1.701 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.124 1.971 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.259 0.505 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.749 0.145 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.247 -0.786 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.085 0.635 -4.911 1.00 0.00 H new ATOM 66 N GLY A 5 22.144 4.329 -6.272 1.00 0.00 N ATOM 67 CA GLY A 5 23.114 5.100 -5.517 1.00 0.00 C ATOM 68 C GLY A 5 23.671 6.266 -6.310 1.00 0.00 C ATOM 69 O GLY A 5 23.221 7.402 -6.158 1.00 0.00 O ATOM 0 H GLY A 5 22.292 3.320 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.647 5.474 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.933 4.449 -5.211 1.00 0.00 H new ATOM 73 N VAL A 6 24.656 5.986 -7.159 1.00 0.00 N ATOM 74 CA VAL A 6 25.276 7.020 -7.978 1.00 0.00 C ATOM 75 C VAL A 6 24.963 6.812 -9.455 1.00 0.00 C ATOM 76 O VAL A 6 25.684 6.105 -10.161 1.00 0.00 O ATOM 77 CB VAL A 6 26.804 7.047 -7.787 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.377 5.640 -7.873 1.00 0.00 C ATOM 79 CG2 VAL A 6 27.454 7.959 -8.816 1.00 0.00 C ATOM 0 H VAL A 6 25.041 5.052 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 6 24.860 7.973 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 6 27.022 7.443 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.458 5.678 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.934 5.019 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.150 5.214 -8.850 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.534 7.966 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.229 7.595 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 6 27.066 8.971 -8.702 1.00 0.00 H new ATOM 89 N THR A 7 23.883 7.433 -9.919 1.00 0.00 N ATOM 90 CA THR A 7 23.473 7.316 -11.313 1.00 0.00 C ATOM 91 C THR A 7 22.530 8.447 -11.706 1.00 0.00 C ATOM 92 O THR A 7 21.768 8.949 -10.879 1.00 0.00 O ATOM 93 CB THR A 7 22.780 5.967 -11.583 1.00 0.00 C ATOM 94 OG1 THR A 7 23.230 4.987 -10.641 1.00 0.00 O ATOM 95 CG2 THR A 7 23.065 5.486 -12.998 1.00 0.00 C ATOM 0 H THR A 7 23.276 8.022 -9.349 1.00 0.00 H new ATOM 0 HA THR A 7 24.379 7.377 -11.915 1.00 0.00 H new ATOM 0 HB THR A 7 21.705 6.108 -11.474 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.783 4.133 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.565 4.532 -13.165 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.694 6.220 -13.713 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.140 5.361 -13.130 1.00 0.00 H new ATOM 103 N PHE A 8 22.585 8.844 -12.973 1.00 0.00 N ATOM 104 CA PHE A 8 21.735 9.917 -13.475 1.00 0.00 C ATOM 105 C PHE A 8 21.904 10.084 -14.983 1.00 0.00 C ATOM 106 O PHE A 8 23.022 10.098 -15.495 1.00 0.00 O ATOM 107 CB PHE A 8 22.063 11.232 -12.765 1.00 0.00 C ATOM 108 CG PHE A 8 23.386 11.817 -13.169 1.00 0.00 C ATOM 109 CD1 PHE A 8 24.568 11.315 -12.650 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.447 12.869 -14.069 1.00 0.00 C ATOM 111 CE1 PHE A 8 25.787 11.853 -13.020 1.00 0.00 C ATOM 112 CE2 PHE A 8 24.662 13.411 -14.443 1.00 0.00 C ATOM 113 CZ PHE A 8 25.834 12.901 -13.918 1.00 0.00 C ATOM 0 H PHE A 8 23.209 8.439 -13.671 1.00 0.00 H new ATOM 0 HA PHE A 8 20.698 9.651 -13.270 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.275 11.956 -12.975 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.063 11.064 -11.688 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.537 10.494 -11.949 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.534 13.270 -14.483 1.00 0.00 H new ATOM 0 HE1 PHE A 8 26.702 11.454 -12.607 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.695 14.232 -15.144 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.785 13.321 -14.209 1.00 0.00 H new ATOM 123 N GLY A 9 20.783 10.210 -15.688 1.00 0.00 N ATOM 124 CA GLY A 9 20.828 10.374 -17.129 1.00 0.00 C ATOM 125 C GLY A 9 21.664 9.307 -17.808 1.00 0.00 C ATOM 126 O GLY A 9 22.652 9.615 -18.474 1.00 0.00 O ATOM 0 H GLY A 9 19.845 10.201 -15.287 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.814 10.344 -17.527 1.00 0.00 H new ATOM 0 HA3 GLY A 9 21.235 11.357 -17.367 1.00 0.00 H new ATOM 130 N GLU A 10 21.268 8.049 -17.637 1.00 0.00 N ATOM 131 CA GLU A 10 21.990 6.934 -18.238 1.00 0.00 C ATOM 132 C GLU A 10 21.289 6.450 -19.504 1.00 0.00 C ATOM 133 O GLU A 10 21.931 5.957 -20.432 1.00 0.00 O ATOM 134 CB GLU A 10 22.115 5.782 -17.239 1.00 0.00 C ATOM 135 CG GLU A 10 23.356 5.864 -16.366 1.00 0.00 C ATOM 136 CD GLU A 10 24.630 5.576 -17.136 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.912 4.387 -17.393 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.345 6.540 -17.481 1.00 0.00 O ATOM 0 H GLU A 10 20.452 7.777 -17.088 1.00 0.00 H new ATOM 0 HA GLU A 10 22.987 7.283 -18.507 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.232 5.769 -16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.127 4.839 -17.785 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.420 6.858 -15.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.265 5.155 -15.543 1.00 0.00 H new ATOM 145 N ASP A 11 19.969 6.594 -19.534 1.00 0.00 N ATOM 146 CA ASP A 11 19.179 6.173 -20.685 1.00 0.00 C ATOM 147 C ASP A 11 17.735 6.647 -20.557 1.00 0.00 C ATOM 148 O ASP A 11 17.206 7.312 -21.448 1.00 0.00 O ATOM 149 CB ASP A 11 19.219 4.651 -20.828 1.00 0.00 C ATOM 150 CG ASP A 11 19.050 4.200 -22.266 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.284 4.853 -23.006 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.682 3.194 -22.651 1.00 0.00 O ATOM 0 H ASP A 11 19.423 6.999 -18.774 1.00 0.00 H new ATOM 0 HA ASP A 11 19.612 6.626 -21.577 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.168 4.278 -20.442 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.431 4.211 -20.217 1.00 0.00 H new ATOM 157 N THR A 12 17.101 6.299 -19.441 1.00 0.00 N ATOM 158 CA THR A 12 15.717 6.687 -19.197 1.00 0.00 C ATOM 159 C THR A 12 15.260 6.247 -17.811 1.00 0.00 C ATOM 160 O THR A 12 15.955 5.497 -17.125 1.00 0.00 O ATOM 161 CB THR A 12 14.770 6.084 -20.252 1.00 0.00 C ATOM 162 OG1 THR A 12 13.446 6.599 -20.073 1.00 0.00 O ATOM 163 CG2 THR A 12 14.747 4.566 -20.155 1.00 0.00 C ATOM 0 H THR A 12 17.524 5.750 -18.693 1.00 0.00 H new ATOM 0 HA THR A 12 15.677 7.774 -19.263 1.00 0.00 H new ATOM 0 HB THR A 12 15.137 6.363 -21.240 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.850 6.212 -20.748 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.071 4.163 -20.910 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.751 4.176 -20.321 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.402 4.270 -19.164 1.00 0.00 H new ATOM 171 N VAL A 13 14.086 6.718 -17.403 1.00 0.00 N ATOM 172 CA VAL A 13 13.535 6.372 -16.098 1.00 0.00 C ATOM 173 C VAL A 13 12.624 5.153 -16.192 1.00 0.00 C ATOM 174 O VAL A 13 12.187 4.775 -17.279 1.00 0.00 O ATOM 175 CB VAL A 13 12.741 7.547 -15.494 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.626 7.393 -13.985 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.395 8.872 -15.855 1.00 0.00 C ATOM 0 H VAL A 13 13.498 7.340 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 13 14.380 6.142 -15.449 1.00 0.00 H new ATOM 0 HB VAL A 13 11.735 7.538 -15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.062 8.231 -13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.110 6.461 -13.753 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.623 7.376 -13.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.822 9.691 -15.421 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.412 8.894 -15.464 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.420 8.982 -16.939 1.00 0.00 H new ATOM 187 N TRP A 14 12.342 4.543 -15.046 1.00 0.00 N ATOM 188 CA TRP A 14 11.482 3.366 -14.999 1.00 0.00 C ATOM 189 C TRP A 14 12.100 2.209 -15.777 1.00 0.00 C ATOM 190 O TRP A 14 11.417 1.243 -16.115 1.00 0.00 O ATOM 191 CB TRP A 14 10.100 3.696 -15.565 1.00 0.00 C ATOM 192 CG TRP A 14 9.141 4.204 -14.531 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.194 5.406 -13.885 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.988 3.524 -14.024 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.143 5.514 -13.006 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.388 4.373 -13.073 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.402 2.282 -14.282 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.233 4.017 -12.381 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.256 1.930 -13.594 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.681 2.795 -12.654 1.00 0.00 C ATOM 0 H TRP A 14 12.696 4.844 -14.138 1.00 0.00 H new ATOM 0 HA TRP A 14 11.378 3.064 -13.957 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.206 4.444 -16.351 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.683 2.803 -16.030 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.950 6.161 -14.042 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.956 6.314 -12.402 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.837 1.609 -15.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.789 4.682 -11.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.796 0.972 -13.784 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.784 2.491 -12.134 1.00 0.00 H new ATOM 211 N GLU A 15 13.396 2.314 -16.055 1.00 0.00 N ATOM 212 CA GLU A 15 14.104 1.275 -16.794 1.00 0.00 C ATOM 213 C GLU A 15 15.450 0.967 -16.144 1.00 0.00 C ATOM 214 O GLU A 15 15.853 -0.192 -16.043 1.00 0.00 O ATOM 215 CB GLU A 15 14.314 1.704 -18.247 1.00 0.00 C ATOM 216 CG GLU A 15 13.124 1.411 -19.146 1.00 0.00 C ATOM 217 CD GLU A 15 13.385 0.266 -20.105 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.267 0.411 -20.977 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.707 -0.776 -19.984 1.00 0.00 O ATOM 0 H GLU A 15 13.976 3.107 -15.780 1.00 0.00 H new ATOM 0 HA GLU A 15 13.494 0.372 -16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.525 2.773 -18.275 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.193 1.195 -18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.257 1.173 -18.529 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.874 2.307 -19.715 1.00 0.00 H new ATOM 226 N VAL A 16 16.141 2.014 -15.704 1.00 0.00 N ATOM 227 CA VAL A 16 17.442 1.857 -15.063 1.00 0.00 C ATOM 228 C VAL A 16 17.348 2.103 -13.562 1.00 0.00 C ATOM 229 O VAL A 16 18.028 1.448 -12.772 1.00 0.00 O ATOM 230 CB VAL A 16 18.484 2.818 -15.665 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.893 2.297 -15.424 1.00 0.00 C ATOM 232 CG2 VAL A 16 18.228 3.018 -17.152 1.00 0.00 C ATOM 0 H VAL A 16 15.822 2.980 -15.780 1.00 0.00 H new ATOM 0 HA VAL A 16 17.760 0.830 -15.241 1.00 0.00 H new ATOM 0 HB VAL A 16 18.390 3.785 -15.170 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.616 2.989 -15.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.070 2.210 -14.352 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.004 1.318 -15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.974 3.700 -17.561 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.294 2.058 -17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.233 3.439 -17.296 1.00 0.00 H new ATOM 242 N GLN A 17 16.500 3.051 -13.175 1.00 0.00 N ATOM 243 CA GLN A 17 16.317 3.383 -11.767 1.00 0.00 C ATOM 244 C GLN A 17 16.017 2.133 -10.947 1.00 0.00 C ATOM 245 O GLN A 17 16.356 2.055 -9.767 1.00 0.00 O ATOM 246 CB GLN A 17 15.185 4.399 -11.604 1.00 0.00 C ATOM 247 CG GLN A 17 13.816 3.762 -11.434 1.00 0.00 C ATOM 248 CD GLN A 17 12.689 4.773 -11.503 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.888 5.961 -11.243 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.496 4.308 -11.854 1.00 0.00 N ATOM 0 H GLN A 17 15.929 3.602 -13.816 1.00 0.00 H new ATOM 0 HA GLN A 17 17.245 3.821 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.394 5.028 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.167 5.053 -12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.671 3.009 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.777 3.245 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.376 3.316 -12.061 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.700 4.942 -11.917 1.00 0.00 H new ATOM 259 N GLY A 18 15.376 1.155 -11.581 1.00 0.00 N ATOM 260 CA GLY A 18 15.040 -0.078 -10.894 1.00 0.00 C ATOM 261 C GLY A 18 13.975 0.120 -9.834 1.00 0.00 C ATOM 262 O GLY A 18 14.053 -0.459 -8.750 1.00 0.00 O ATOM 0 H GLY A 18 15.084 1.195 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.692 -0.812 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.937 -0.488 -10.431 1.00 0.00 H new ATOM 266 N TYR A 19 12.979 0.942 -10.144 1.00 0.00 N ATOM 267 CA TYR A 19 11.897 1.219 -9.207 1.00 0.00 C ATOM 268 C TYR A 19 10.628 1.631 -9.947 1.00 0.00 C ATOM 269 O TYR A 19 10.631 1.795 -11.168 1.00 0.00 O ATOM 270 CB TYR A 19 12.310 2.320 -8.229 1.00 0.00 C ATOM 271 CG TYR A 19 13.319 1.866 -7.198 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.935 1.068 -6.127 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.654 2.236 -7.294 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.853 0.652 -5.182 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.579 1.823 -6.355 1.00 0.00 C ATOM 276 CZ TYR A 19 15.174 1.031 -5.300 1.00 0.00 C ATOM 277 OH TYR A 19 16.092 0.619 -4.362 1.00 0.00 O ATOM 0 H TYR A 19 12.898 1.428 -11.037 1.00 0.00 H new ATOM 0 HA TYR A 19 11.691 0.305 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.728 3.156 -8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.422 2.692 -7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.902 0.768 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.975 2.857 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.538 0.033 -4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.614 2.118 -6.446 1.00 0.00 H new ATOM 0 HH TYR A 19 16.977 0.972 -4.593 1.00 0.00 H new ATOM 287 N LYS A 20 9.542 1.798 -9.199 1.00 0.00 N ATOM 288 CA LYS A 20 8.265 2.193 -9.781 1.00 0.00 C ATOM 289 C LYS A 20 7.426 2.972 -8.773 1.00 0.00 C ATOM 290 O LYS A 20 7.880 3.265 -7.669 1.00 0.00 O ATOM 291 CB LYS A 20 7.495 0.959 -10.257 1.00 0.00 C ATOM 292 CG LYS A 20 8.067 0.333 -11.517 1.00 0.00 C ATOM 293 CD LYS A 20 9.082 -0.749 -11.190 1.00 0.00 C ATOM 294 CE LYS A 20 8.782 -2.039 -11.939 1.00 0.00 C ATOM 295 NZ LYS A 20 9.617 -2.176 -13.164 1.00 0.00 N ATOM 0 H LYS A 20 9.521 1.666 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 20 8.467 2.839 -10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.491 0.214 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.457 1.237 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.259 -0.093 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.539 1.104 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.082 -0.401 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.078 -0.941 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.959 -2.890 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.727 -2.063 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.383 -3.067 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.429 -1.377 -13.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.623 -2.179 -12.900 1.00 0.00 H new ATOM 309 N ASN A 21 6.199 3.303 -9.162 1.00 0.00 N ATOM 310 CA ASN A 21 5.296 4.047 -8.292 1.00 0.00 C ATOM 311 C ASN A 21 3.896 3.440 -8.313 1.00 0.00 C ATOM 312 O ASN A 21 3.308 3.247 -9.377 1.00 0.00 O ATOM 313 CB ASN A 21 5.234 5.514 -8.722 1.00 0.00 C ATOM 314 CG ASN A 21 6.590 6.191 -8.667 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.883 6.946 -7.740 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.426 5.921 -9.663 1.00 0.00 N ATOM 0 H ASN A 21 5.807 3.068 -10.074 1.00 0.00 H new ATOM 0 HA ASN A 21 5.682 3.989 -7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.841 5.576 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.537 6.050 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.353 6.346 -9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.141 5.289 -10.411 1.00 0.00 H new ATOM 323 N VAL A 22 3.369 3.142 -7.130 1.00 0.00 N ATOM 324 CA VAL A 22 2.038 2.558 -7.012 1.00 0.00 C ATOM 325 C VAL A 22 1.246 3.218 -5.888 1.00 0.00 C ATOM 326 O VAL A 22 1.813 3.632 -4.876 1.00 0.00 O ATOM 327 CB VAL A 22 2.111 1.042 -6.752 1.00 0.00 C ATOM 328 CG1 VAL A 22 0.714 0.441 -6.702 1.00 0.00 C ATOM 329 CG2 VAL A 22 2.956 0.360 -7.816 1.00 0.00 C ATOM 0 H VAL A 22 3.843 3.295 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 22 1.531 2.732 -7.961 1.00 0.00 H new ATOM 0 HB VAL A 22 2.585 0.879 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.785 -0.631 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.145 0.910 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.210 0.613 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.997 -0.711 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.512 0.530 -8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.965 0.771 -7.798 1.00 0.00 H new ATOM 339 N ARG A 23 -0.066 3.313 -6.072 1.00 0.00 N ATOM 340 CA ARG A 23 -0.936 3.923 -5.074 1.00 0.00 C ATOM 341 C ARG A 23 -2.058 2.969 -4.675 1.00 0.00 C ATOM 342 O ARG A 23 -2.368 2.022 -5.398 1.00 0.00 O ATOM 343 CB ARG A 23 -1.528 5.227 -5.611 1.00 0.00 C ATOM 344 CG ARG A 23 -0.781 6.469 -5.153 1.00 0.00 C ATOM 345 CD ARG A 23 -1.623 7.306 -4.201 1.00 0.00 C ATOM 346 NE ARG A 23 -2.042 8.567 -4.806 1.00 0.00 N ATOM 347 CZ ARG A 23 -3.079 9.278 -4.379 1.00 0.00 C ATOM 348 NH1 ARG A 23 -3.799 8.854 -3.349 1.00 0.00 N ATOM 349 NH2 ARG A 23 -3.398 10.417 -4.981 1.00 0.00 N ATOM 0 H ARG A 23 -0.551 2.975 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.336 4.141 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.528 5.195 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.568 5.301 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.146 6.176 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.505 7.069 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.503 6.738 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.051 7.510 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.509 8.921 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.557 7.980 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.595 9.402 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.846 10.747 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.195 10.962 -4.652 1.00 0.00 H new ATOM 363 N ILE A 24 -2.663 3.226 -3.520 1.00 0.00 N ATOM 364 CA ILE A 24 -3.750 2.391 -3.025 1.00 0.00 C ATOM 365 C ILE A 24 -5.000 3.220 -2.753 1.00 0.00 C ATOM 366 O ILE A 24 -4.942 4.251 -2.081 1.00 0.00 O ATOM 367 CB ILE A 24 -3.349 1.649 -1.736 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.861 1.295 -1.768 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.194 0.396 -1.562 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.464 0.456 -2.962 1.00 0.00 C ATOM 0 H ILE A 24 -2.419 4.006 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.965 1.659 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.529 2.306 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.277 2.215 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.604 0.757 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.899 -0.118 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.246 0.673 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.043 -0.266 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.396 0.244 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.021 -0.481 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.689 1.000 -3.880 1.00 0.00 H new ATOM 382 N THR A 25 -6.133 2.764 -3.278 1.00 0.00 N ATOM 383 CA THR A 25 -7.398 3.463 -3.092 1.00 0.00 C ATOM 384 C THR A 25 -8.581 2.544 -3.376 1.00 0.00 C ATOM 385 O THR A 25 -9.222 2.645 -4.422 1.00 0.00 O ATOM 386 CB THR A 25 -7.495 4.701 -4.002 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.411 5.596 -3.728 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.819 5.422 -3.796 1.00 0.00 C ATOM 0 H THR A 25 -6.200 1.913 -3.836 1.00 0.00 H new ATOM 0 HA THR A 25 -7.432 3.783 -2.051 1.00 0.00 H new ATOM 0 HB THR A 25 -7.438 4.368 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.416 5.834 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.864 6.293 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.642 4.747 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.901 5.743 -2.758 1.00 0.00 H new ATOM 396 N PHE A 26 -8.867 1.647 -2.437 1.00 0.00 N ATOM 397 CA PHE A 26 -9.973 0.709 -2.587 1.00 0.00 C ATOM 398 C PHE A 26 -10.973 0.861 -1.444 1.00 0.00 C ATOM 399 O PHE A 26 -12.034 1.460 -1.610 1.00 0.00 O ATOM 400 CB PHE A 26 -9.449 -0.727 -2.635 1.00 0.00 C ATOM 401 CG PHE A 26 -10.523 -1.750 -2.875 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.279 -1.720 -4.036 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.777 -2.740 -1.940 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.268 -2.659 -4.260 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.764 -3.682 -2.159 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.511 -3.641 -3.319 1.00 0.00 C ATOM 0 H PHE A 26 -8.348 1.550 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.483 0.933 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.701 -0.806 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.946 -0.953 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.093 -0.954 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.197 -2.776 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.850 -2.625 -5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.951 -4.450 -1.423 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.284 -4.375 -3.491 1.00 0.00 H new ATOM 416 N GLU A 27 -10.624 0.312 -0.285 1.00 0.00 N ATOM 417 CA GLU A 27 -11.492 0.384 0.885 1.00 0.00 C ATOM 418 C GLU A 27 -10.822 -0.255 2.099 1.00 0.00 C ATOM 419 O GLU A 27 -10.256 -1.345 2.008 1.00 0.00 O ATOM 420 CB GLU A 27 -12.826 -0.308 0.602 1.00 0.00 C ATOM 421 CG GLU A 27 -12.760 -1.823 0.702 1.00 0.00 C ATOM 422 CD GLU A 27 -13.810 -2.510 -0.149 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.059 -2.040 -1.279 1.00 0.00 O ATOM 424 OE2 GLU A 27 -14.382 -3.519 0.315 1.00 0.00 O ATOM 0 H GLU A 27 -9.748 -0.187 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.677 1.436 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.573 0.062 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.164 -0.033 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.770 -2.161 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.889 -2.121 1.743 1.00 0.00 H new ATOM 431 N LEU A 28 -10.892 0.431 3.235 1.00 0.00 N ATOM 432 CA LEU A 28 -10.293 -0.068 4.468 1.00 0.00 C ATOM 433 C LEU A 28 -11.086 0.396 5.685 1.00 0.00 C ATOM 434 O LEU A 28 -11.536 -0.417 6.492 1.00 0.00 O ATOM 435 CB LEU A 28 -8.842 0.402 4.580 1.00 0.00 C ATOM 436 CG LEU A 28 -7.790 -0.696 4.739 1.00 0.00 C ATOM 437 CD1 LEU A 28 -8.007 -1.459 6.037 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.825 -1.645 3.549 1.00 0.00 C ATOM 0 H LEU A 28 -11.357 1.334 3.328 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.314 -1.157 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.600 0.983 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.765 1.077 5.432 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.807 -0.227 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.249 -2.236 6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.931 -0.772 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.997 -1.916 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.070 -2.420 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.810 -2.106 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.620 -1.089 2.634 1.00 0.00 H new ATOM 450 N ASP A 29 -11.254 1.708 5.809 1.00 0.00 N ATOM 451 CA ASP A 29 -11.996 2.281 6.926 1.00 0.00 C ATOM 452 C ASP A 29 -13.103 3.205 6.427 1.00 0.00 C ATOM 453 O ASP A 29 -13.361 3.286 5.227 1.00 0.00 O ATOM 454 CB ASP A 29 -11.052 3.051 7.852 1.00 0.00 C ATOM 455 CG ASP A 29 -9.635 2.513 7.811 1.00 0.00 C ATOM 456 OD1 ASP A 29 -9.469 1.276 7.856 1.00 0.00 O ATOM 457 OD2 ASP A 29 -8.692 3.328 7.734 1.00 0.00 O ATOM 0 H ASP A 29 -10.887 2.394 5.150 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.453 1.463 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.047 4.103 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.428 2.999 8.874 1.00 0.00 H new ATOM 462 N GLU A 30 -13.753 3.897 7.357 1.00 0.00 N ATOM 463 CA GLU A 30 -14.834 4.813 7.010 1.00 0.00 C ATOM 464 C GLU A 30 -14.509 6.234 7.461 1.00 0.00 C ATOM 465 O GLU A 30 -14.851 7.204 6.786 1.00 0.00 O ATOM 466 CB GLU A 30 -16.147 4.352 7.647 1.00 0.00 C ATOM 467 CG GLU A 30 -16.820 3.215 6.897 1.00 0.00 C ATOM 468 CD GLU A 30 -18.204 3.583 6.399 1.00 0.00 C ATOM 469 OE1 GLU A 30 -19.121 3.718 7.237 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.371 3.737 5.171 1.00 0.00 O ATOM 0 H GLU A 30 -13.551 3.841 8.355 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.944 4.811 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.953 4.035 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.833 5.198 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.198 2.925 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.892 2.346 7.551 1.00 0.00 H new ATOM 477 N ARG A 31 -13.846 6.347 8.608 1.00 0.00 N ATOM 478 CA ARG A 31 -13.476 7.649 9.151 1.00 0.00 C ATOM 479 C ARG A 31 -12.023 7.981 8.824 1.00 0.00 C ATOM 480 O ARG A 31 -11.711 9.090 8.390 1.00 0.00 O ATOM 481 CB ARG A 31 -13.688 7.672 10.666 1.00 0.00 C ATOM 482 CG ARG A 31 -15.034 7.116 11.101 1.00 0.00 C ATOM 483 CD ARG A 31 -16.184 7.937 10.540 1.00 0.00 C ATOM 484 NE ARG A 31 -17.428 7.707 11.269 1.00 0.00 N ATOM 485 CZ ARG A 31 -18.559 8.355 11.016 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.603 9.268 10.055 1.00 0.00 N ATOM 487 NH2 ARG A 31 -19.650 8.090 11.723 1.00 0.00 N ATOM 0 H ARG A 31 -13.554 5.553 9.179 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.115 8.402 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.895 7.097 11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.596 8.698 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.127 6.082 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.090 7.106 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.929 8.996 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.328 7.687 9.489 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.428 7.010 12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.767 9.474 9.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.473 9.764 9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.621 7.388 12.462 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.518 8.589 11.527 1.00 0.00 H new ATOM 501 N VAL A 32 -11.138 7.012 9.037 1.00 0.00 N ATOM 502 CA VAL A 32 -9.718 7.201 8.765 1.00 0.00 C ATOM 503 C VAL A 32 -9.323 6.561 7.439 1.00 0.00 C ATOM 504 O VAL A 32 -8.255 5.959 7.322 1.00 0.00 O ATOM 505 CB VAL A 32 -8.848 6.608 9.889 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.967 7.444 11.154 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.236 5.162 10.156 1.00 0.00 C ATOM 0 H VAL A 32 -11.379 6.089 9.397 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.546 8.276 8.711 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.807 6.627 9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.345 7.010 11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.635 8.462 10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.006 7.460 11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.611 4.759 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.283 5.116 10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.093 4.574 9.250 1.00 0.00 H new ATOM 517 N ASP A 33 -10.190 6.694 6.442 1.00 0.00 N ATOM 518 CA ASP A 33 -9.931 6.130 5.122 1.00 0.00 C ATOM 519 C ASP A 33 -8.925 6.982 4.355 1.00 0.00 C ATOM 520 O ASP A 33 -8.025 6.458 3.697 1.00 0.00 O ATOM 521 CB ASP A 33 -11.233 6.017 4.328 1.00 0.00 C ATOM 522 CG ASP A 33 -11.307 4.740 3.515 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.783 3.707 3.984 1.00 0.00 O ATOM 524 OD2 ASP A 33 -11.890 4.772 2.411 1.00 0.00 O ATOM 0 H ASP A 33 -11.079 7.188 6.522 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.509 5.134 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.078 6.056 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.324 6.874 3.661 1.00 0.00 H new ATOM 529 N LYS A 34 -9.082 8.298 4.443 1.00 0.00 N ATOM 530 CA LYS A 34 -8.188 9.224 3.758 1.00 0.00 C ATOM 531 C LYS A 34 -6.825 9.269 4.441 1.00 0.00 C ATOM 532 O LYS A 34 -5.854 9.775 3.878 1.00 0.00 O ATOM 533 CB LYS A 34 -8.801 10.626 3.725 1.00 0.00 C ATOM 534 CG LYS A 34 -8.320 11.526 4.850 1.00 0.00 C ATOM 535 CD LYS A 34 -8.757 11.003 6.208 1.00 0.00 C ATOM 536 CE LYS A 34 -10.128 11.535 6.595 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.070 12.377 7.822 1.00 0.00 N ATOM 0 H LYS A 34 -9.821 8.748 4.983 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.051 8.870 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.565 11.095 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.886 10.540 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.233 11.598 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.711 12.533 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.780 9.913 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.026 11.293 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.536 12.121 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.809 10.700 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.024 12.720 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.705 11.811 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.441 13.188 7.657 1.00 0.00 H new ATOM 551 N VAL A 35 -6.759 8.736 5.656 1.00 0.00 N ATOM 552 CA VAL A 35 -5.514 8.713 6.415 1.00 0.00 C ATOM 553 C VAL A 35 -4.529 7.711 5.824 1.00 0.00 C ATOM 554 O VAL A 35 -3.325 7.782 6.078 1.00 0.00 O ATOM 555 CB VAL A 35 -5.763 8.361 7.893 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.453 8.335 8.665 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.740 9.345 8.518 1.00 0.00 C ATOM 0 H VAL A 35 -7.553 8.314 6.137 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.089 9.715 6.355 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.205 7.366 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.650 8.084 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.790 7.587 8.231 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.979 9.315 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.904 9.081 9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.329 10.353 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.688 9.307 7.981 1.00 0.00 H new ATOM 567 N LEU A 36 -5.046 6.778 5.033 1.00 0.00 N ATOM 568 CA LEU A 36 -4.212 5.760 4.403 1.00 0.00 C ATOM 569 C LEU A 36 -4.326 5.824 2.884 1.00 0.00 C ATOM 570 O LEU A 36 -3.741 5.009 2.172 1.00 0.00 O ATOM 571 CB LEU A 36 -4.611 4.368 4.898 1.00 0.00 C ATOM 572 CG LEU A 36 -5.820 3.733 4.210 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.372 2.800 3.096 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.677 2.986 5.222 1.00 0.00 C ATOM 0 H LEU A 36 -6.039 6.705 4.812 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.175 5.954 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.757 3.702 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.817 4.429 5.967 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.422 4.528 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.246 2.358 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.801 3.363 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.747 2.010 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.533 2.540 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.084 2.201 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.028 3.681 5.985 1.00 0.00 H new ATOM 586 N ASN A 37 -5.083 6.801 2.394 1.00 0.00 N ATOM 587 CA ASN A 37 -5.273 6.973 0.958 1.00 0.00 C ATOM 588 C ASN A 37 -4.782 8.345 0.505 1.00 0.00 C ATOM 589 O ASN A 37 -4.329 8.509 -0.627 1.00 0.00 O ATOM 590 CB ASN A 37 -6.750 6.802 0.594 1.00 0.00 C ATOM 591 CG ASN A 37 -7.082 7.389 -0.764 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.319 7.243 -1.719 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.225 8.058 -0.856 1.00 0.00 N ATOM 0 H ASN A 37 -5.574 7.485 2.970 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.688 6.210 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.003 5.742 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.367 7.281 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.501 8.476 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.827 8.154 -0.038 1.00 0.00 H new ATOM 600 N GLU A 38 -4.875 9.325 1.398 1.00 0.00 N ATOM 601 CA GLU A 38 -4.440 10.682 1.089 1.00 0.00 C ATOM 602 C GLU A 38 -3.189 11.047 1.884 1.00 0.00 C ATOM 603 O GLU A 38 -2.246 11.628 1.347 1.00 0.00 O ATOM 604 CB GLU A 38 -5.558 11.682 1.392 1.00 0.00 C ATOM 605 CG GLU A 38 -5.081 13.122 1.479 1.00 0.00 C ATOM 606 CD GLU A 38 -4.091 13.475 0.386 1.00 0.00 C ATOM 607 OE1 GLU A 38 -4.263 12.989 -0.751 1.00 0.00 O ATOM 608 OE2 GLU A 38 -3.143 14.238 0.669 1.00 0.00 O ATOM 0 H GLU A 38 -5.247 9.205 2.340 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.201 10.725 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.321 11.607 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.033 11.408 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.940 13.790 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.618 13.289 2.451 1.00 0.00 H new ATOM 615 N LYS A 39 -3.188 10.700 3.166 1.00 0.00 N ATOM 616 CA LYS A 39 -2.054 10.989 4.037 1.00 0.00 C ATOM 617 C LYS A 39 -0.764 10.420 3.456 1.00 0.00 C ATOM 618 O LYS A 39 0.284 11.067 3.494 1.00 0.00 O ATOM 619 CB LYS A 39 -2.296 10.411 5.433 1.00 0.00 C ATOM 620 CG LYS A 39 -1.729 11.266 6.552 1.00 0.00 C ATOM 621 CD LYS A 39 -2.829 11.824 7.440 1.00 0.00 C ATOM 622 CE LYS A 39 -3.762 12.740 6.663 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.880 14.081 7.300 1.00 0.00 N ATOM 0 H LYS A 39 -3.960 10.218 3.626 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.952 12.072 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.368 10.291 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.853 9.416 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.042 10.671 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.152 12.087 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.401 11.003 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.385 12.374 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.394 12.853 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.749 12.282 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.524 14.676 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.255 13.976 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.943 14.530 7.341 1.00 0.00 H new ATOM 637 N CYS A 40 -0.847 9.208 2.918 1.00 0.00 N ATOM 638 CA CYS A 40 0.315 8.552 2.328 1.00 0.00 C ATOM 639 C CYS A 40 -0.056 7.178 1.781 1.00 0.00 C ATOM 640 O CYS A 40 0.071 6.168 2.474 1.00 0.00 O ATOM 641 CB CYS A 40 1.432 8.418 3.364 1.00 0.00 C ATOM 642 SG CYS A 40 0.878 7.799 4.970 1.00 0.00 S ATOM 0 H CYS A 40 -1.706 8.660 2.878 1.00 0.00 H new ATOM 0 HA CYS A 40 0.669 9.168 1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.198 7.748 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.902 9.392 3.504 1.00 0.00 H new ATOM 0 HG CYS A 40 0.245 6.675 4.807 1.00 0.00 H new ATOM 648 N SER A 41 -0.517 7.147 0.535 1.00 0.00 N ATOM 649 CA SER A 41 -0.912 5.897 -0.104 1.00 0.00 C ATOM 650 C SER A 41 0.036 5.547 -1.246 1.00 0.00 C ATOM 651 O SER A 41 -0.117 4.516 -1.902 1.00 0.00 O ATOM 652 CB SER A 41 -2.346 5.998 -0.628 1.00 0.00 C ATOM 653 OG SER A 41 -3.068 4.806 -0.372 1.00 0.00 O ATOM 0 H SER A 41 -0.626 7.974 -0.053 1.00 0.00 H new ATOM 0 HA SER A 41 -0.861 5.104 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.850 6.841 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.332 6.195 -1.700 1.00 0.00 H new ATOM 0 HG SER A 41 -3.729 4.665 -1.082 1.00 0.00 H new ATOM 659 N VAL A 42 1.017 6.413 -1.479 1.00 0.00 N ATOM 660 CA VAL A 42 1.992 6.197 -2.542 1.00 0.00 C ATOM 661 C VAL A 42 3.201 5.422 -2.029 1.00 0.00 C ATOM 662 O VAL A 42 3.720 5.705 -0.949 1.00 0.00 O ATOM 663 CB VAL A 42 2.469 7.531 -3.146 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.971 8.463 -2.053 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.551 7.287 -4.187 1.00 0.00 C ATOM 0 H VAL A 42 1.158 7.271 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 42 1.493 5.615 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 42 1.623 8.010 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.304 9.400 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.165 8.663 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.804 7.994 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.877 8.240 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.399 6.786 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.154 6.659 -4.985 1.00 0.00 H new ATOM 675 N TYR A 43 3.645 4.445 -2.810 1.00 0.00 N ATOM 676 CA TYR A 43 4.793 3.627 -2.435 1.00 0.00 C ATOM 677 C TYR A 43 5.634 3.275 -3.657 1.00 0.00 C ATOM 678 O TYR A 43 5.142 3.272 -4.786 1.00 0.00 O ATOM 679 CB TYR A 43 4.328 2.348 -1.736 1.00 0.00 C ATOM 680 CG TYR A 43 3.382 2.598 -0.583 1.00 0.00 C ATOM 681 CD1 TYR A 43 2.030 2.828 -0.805 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.841 2.602 0.729 1.00 0.00 C ATOM 683 CE1 TYR A 43 1.163 3.057 0.246 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.981 2.828 1.785 1.00 0.00 C ATOM 685 CZ TYR A 43 1.643 3.056 1.539 1.00 0.00 C ATOM 686 OH TYR A 43 0.782 3.282 2.589 1.00 0.00 O ATOM 0 H TYR A 43 3.228 4.199 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 43 5.410 4.206 -1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.837 1.704 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.200 1.807 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.650 2.828 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.888 2.425 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.115 3.236 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.354 2.826 2.799 1.00 0.00 H new ATOM 0 HH TYR A 43 0.504 4.222 2.587 1.00 0.00 H new ATOM 696 N THR A 44 6.909 2.978 -3.424 1.00 0.00 N ATOM 697 CA THR A 44 7.821 2.624 -4.505 1.00 0.00 C ATOM 698 C THR A 44 7.982 1.112 -4.617 1.00 0.00 C ATOM 699 O THR A 44 8.028 0.407 -3.609 1.00 0.00 O ATOM 700 CB THR A 44 9.208 3.262 -4.301 1.00 0.00 C ATOM 701 OG1 THR A 44 9.071 4.540 -3.669 1.00 0.00 O ATOM 702 CG2 THR A 44 9.931 3.423 -5.629 1.00 0.00 C ATOM 0 H THR A 44 7.333 2.976 -2.496 1.00 0.00 H new ATOM 0 HA THR A 44 7.383 3.009 -5.426 1.00 0.00 H new ATOM 0 HB THR A 44 9.796 2.602 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.957 4.938 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.908 3.876 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.060 2.446 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.344 4.063 -6.287 1.00 0.00 H new ATOM 710 N VAL A 45 8.066 0.620 -5.849 1.00 0.00 N ATOM 711 CA VAL A 45 8.223 -0.809 -6.092 1.00 0.00 C ATOM 712 C VAL A 45 9.525 -1.100 -6.830 1.00 0.00 C ATOM 713 O VAL A 45 9.731 -0.637 -7.951 1.00 0.00 O ATOM 714 CB VAL A 45 7.045 -1.372 -6.909 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.228 -2.862 -7.153 1.00 0.00 C ATOM 716 CG2 VAL A 45 5.727 -1.097 -6.202 1.00 0.00 C ATOM 0 H VAL A 45 8.028 1.190 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 45 8.244 -1.296 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 45 7.024 -0.870 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.386 -3.242 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.153 -3.029 -7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.276 -3.384 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.906 -1.502 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.735 -1.570 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.594 -0.021 -6.085 1.00 0.00 H new ATOM 726 N GLU A 46 10.400 -1.872 -6.192 1.00 0.00 N ATOM 727 CA GLU A 46 11.683 -2.225 -6.789 1.00 0.00 C ATOM 728 C GLU A 46 11.484 -2.964 -8.109 1.00 0.00 C ATOM 729 O GLU A 46 10.360 -3.102 -8.592 1.00 0.00 O ATOM 730 CB GLU A 46 12.498 -3.090 -5.825 1.00 0.00 C ATOM 731 CG GLU A 46 13.878 -2.530 -5.524 1.00 0.00 C ATOM 732 CD GLU A 46 14.941 -3.608 -5.448 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.320 -4.144 -6.511 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.395 -3.917 -4.326 1.00 0.00 O ATOM 0 H GLU A 46 10.244 -2.264 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 46 12.228 -1.303 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.947 -3.197 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.605 -4.089 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.150 -1.810 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.848 -1.988 -4.579 1.00 0.00 H new ATOM 741 N SER A 47 12.583 -3.438 -8.687 1.00 0.00 N ATOM 742 CA SER A 47 12.531 -4.159 -9.953 1.00 0.00 C ATOM 743 C SER A 47 12.050 -5.592 -9.743 1.00 0.00 C ATOM 744 O SER A 47 11.060 -6.020 -10.335 1.00 0.00 O ATOM 745 CB SER A 47 13.908 -4.164 -10.619 1.00 0.00 C ATOM 746 OG SER A 47 13.862 -4.807 -11.881 1.00 0.00 O ATOM 0 H SER A 47 13.520 -3.336 -8.298 1.00 0.00 H new ATOM 0 HA SER A 47 11.822 -3.648 -10.605 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.260 -3.140 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.625 -4.672 -9.974 1.00 0.00 H new ATOM 0 HG SER A 47 14.754 -4.795 -12.287 1.00 0.00 H new ATOM 752 N GLY A 48 12.759 -6.329 -8.893 1.00 0.00 N ATOM 753 CA GLY A 48 12.390 -7.705 -8.619 1.00 0.00 C ATOM 754 C GLY A 48 11.684 -7.862 -7.287 1.00 0.00 C ATOM 755 O GLY A 48 12.324 -8.077 -6.257 1.00 0.00 O ATOM 0 H GLY A 48 13.582 -5.997 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.741 -8.069 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.285 -8.327 -8.628 1.00 0.00 H new ATOM 759 N THR A 49 10.359 -7.752 -7.304 1.00 0.00 N ATOM 760 CA THR A 49 9.566 -7.880 -6.089 1.00 0.00 C ATOM 761 C THR A 49 8.274 -8.645 -6.353 1.00 0.00 C ATOM 762 O THR A 49 7.860 -8.803 -7.501 1.00 0.00 O ATOM 763 CB THR A 49 9.219 -6.501 -5.496 1.00 0.00 C ATOM 764 OG1 THR A 49 10.302 -5.589 -5.713 1.00 0.00 O ATOM 765 CG2 THR A 49 8.931 -6.609 -4.007 1.00 0.00 C ATOM 0 H THR A 49 9.813 -7.574 -8.147 1.00 0.00 H new ATOM 0 HA THR A 49 10.174 -8.433 -5.373 1.00 0.00 H new ATOM 0 HB THR A 49 8.325 -6.129 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.074 -4.714 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.689 -5.623 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.088 -7.281 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.810 -7.000 -3.494 1.00 0.00 H new ATOM 773 N GLU A 50 7.643 -9.119 -5.283 1.00 0.00 N ATOM 774 CA GLU A 50 6.397 -9.868 -5.402 1.00 0.00 C ATOM 775 C GLU A 50 5.218 -9.048 -4.889 1.00 0.00 C ATOM 776 O GLU A 50 5.390 -8.117 -4.102 1.00 0.00 O ATOM 777 CB GLU A 50 6.493 -11.184 -4.627 1.00 0.00 C ATOM 778 CG GLU A 50 6.798 -12.387 -5.505 1.00 0.00 C ATOM 779 CD GLU A 50 5.648 -13.374 -5.562 1.00 0.00 C ATOM 780 OE1 GLU A 50 4.554 -12.983 -6.021 1.00 0.00 O ATOM 781 OE2 GLU A 50 5.842 -14.536 -5.148 1.00 0.00 O ATOM 0 H GLU A 50 7.973 -8.998 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 50 6.233 -10.086 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.270 -11.093 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.553 -11.356 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.030 -12.046 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.687 -12.892 -5.127 1.00 0.00 H new ATOM 788 N VAL A 51 4.018 -9.400 -5.342 1.00 0.00 N ATOM 789 CA VAL A 51 2.809 -8.697 -4.929 1.00 0.00 C ATOM 790 C VAL A 51 2.550 -8.879 -3.438 1.00 0.00 C ATOM 791 O VAL A 51 1.752 -8.154 -2.841 1.00 0.00 O ATOM 792 CB VAL A 51 1.579 -9.187 -5.716 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.401 -8.249 -5.504 1.00 0.00 C ATOM 794 CG2 VAL A 51 1.910 -9.315 -7.195 1.00 0.00 C ATOM 0 H VAL A 51 3.858 -10.167 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 51 2.969 -7.640 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 51 1.299 -10.172 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.459 -8.611 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.151 -8.213 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.665 -7.249 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.030 -9.662 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.216 -8.344 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.722 -10.031 -7.326 1.00 0.00 H new ATOM 804 N THR A 52 3.230 -9.852 -2.838 1.00 0.00 N ATOM 805 CA THR A 52 3.073 -10.130 -1.416 1.00 0.00 C ATOM 806 C THR A 52 4.081 -9.341 -0.588 1.00 0.00 C ATOM 807 O THR A 52 3.857 -9.082 0.594 1.00 0.00 O ATOM 808 CB THR A 52 3.241 -11.631 -1.116 1.00 0.00 C ATOM 809 OG1 THR A 52 3.224 -11.852 0.299 1.00 0.00 O ATOM 810 CG2 THR A 52 4.542 -12.158 -1.701 1.00 0.00 C ATOM 0 H THR A 52 3.895 -10.461 -3.316 1.00 0.00 H new ATOM 0 HA THR A 52 2.063 -9.824 -1.143 1.00 0.00 H new ATOM 0 HB THR A 52 2.411 -12.166 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.330 -12.809 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.638 -13.220 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.539 -12.015 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.382 -11.617 -1.265 1.00 0.00 H new ATOM 818 N GLU A 53 5.189 -8.963 -1.216 1.00 0.00 N ATOM 819 CA GLU A 53 6.231 -8.203 -0.535 1.00 0.00 C ATOM 820 C GLU A 53 5.730 -6.814 -0.152 1.00 0.00 C ATOM 821 O GLU A 53 6.136 -6.253 0.866 1.00 0.00 O ATOM 822 CB GLU A 53 7.470 -8.083 -1.424 1.00 0.00 C ATOM 823 CG GLU A 53 8.779 -8.140 -0.655 1.00 0.00 C ATOM 824 CD GLU A 53 9.621 -6.893 -0.842 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.092 -5.782 -0.630 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.810 -7.028 -1.201 1.00 0.00 O ATOM 0 H GLU A 53 5.389 -9.170 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 53 6.497 -8.738 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.457 -8.885 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.422 -7.143 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.567 -8.275 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.349 -9.011 -0.980 1.00 0.00 H new ATOM 833 N PHE A 54 4.843 -6.264 -0.975 1.00 0.00 N ATOM 834 CA PHE A 54 4.287 -4.939 -0.725 1.00 0.00 C ATOM 835 C PHE A 54 3.252 -4.987 0.395 1.00 0.00 C ATOM 836 O PHE A 54 2.924 -3.964 0.996 1.00 0.00 O ATOM 837 CB PHE A 54 3.650 -4.381 -2.000 1.00 0.00 C ATOM 838 CG PHE A 54 4.428 -4.695 -3.245 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.760 -4.329 -3.357 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.828 -5.356 -4.305 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.479 -4.616 -4.502 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.542 -5.647 -5.452 1.00 0.00 C ATOM 843 CZ PHE A 54 5.868 -5.275 -5.551 1.00 0.00 C ATOM 0 H PHE A 54 4.494 -6.715 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 54 5.101 -4.283 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.642 -4.784 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.553 -3.300 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.242 -3.813 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.790 -5.647 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.517 -4.326 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.063 -6.165 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.427 -5.499 -6.448 1.00 0.00 H new ATOM 853 N ALA A 55 2.740 -6.182 0.669 1.00 0.00 N ATOM 854 CA ALA A 55 1.743 -6.365 1.717 1.00 0.00 C ATOM 855 C ALA A 55 2.371 -6.232 3.100 1.00 0.00 C ATOM 856 O ALA A 55 1.667 -6.196 4.111 1.00 0.00 O ATOM 857 CB ALA A 55 1.066 -7.719 1.571 1.00 0.00 C ATOM 0 H ALA A 55 2.999 -7.039 0.180 1.00 0.00 H new ATOM 0 HA ALA A 55 0.992 -5.583 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.324 -7.842 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.575 -7.778 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.813 -8.509 1.649 1.00 0.00 H new ATOM 863 N CYS A 56 3.697 -6.159 3.139 1.00 0.00 N ATOM 864 CA CYS A 56 4.419 -6.031 4.400 1.00 0.00 C ATOM 865 C CYS A 56 5.089 -4.665 4.506 1.00 0.00 C ATOM 866 O CYS A 56 5.523 -4.257 5.583 1.00 0.00 O ATOM 867 CB CYS A 56 5.467 -7.138 4.525 1.00 0.00 C ATOM 868 SG CYS A 56 5.855 -7.596 6.231 1.00 0.00 S ATOM 0 H CYS A 56 4.294 -6.186 2.312 1.00 0.00 H new ATOM 0 HA CYS A 56 3.701 -6.127 5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.112 -8.022 3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.382 -6.815 4.029 1.00 0.00 H new ATOM 0 HG CYS A 56 6.749 -8.540 6.234 1.00 0.00 H new ATOM 874 N VAL A 57 5.172 -3.963 3.380 1.00 0.00 N ATOM 875 CA VAL A 57 5.790 -2.643 3.346 1.00 0.00 C ATOM 876 C VAL A 57 4.738 -1.546 3.226 1.00 0.00 C ATOM 877 O VAL A 57 4.967 -0.404 3.625 1.00 0.00 O ATOM 878 CB VAL A 57 6.782 -2.518 2.175 1.00 0.00 C ATOM 879 CG1 VAL A 57 7.463 -1.157 2.194 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.810 -3.638 2.225 1.00 0.00 C ATOM 0 H VAL A 57 4.819 -4.287 2.479 1.00 0.00 H new ATOM 0 HA VAL A 57 6.330 -2.523 4.285 1.00 0.00 H new ATOM 0 HB VAL A 57 6.227 -2.607 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.160 -1.087 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.711 -0.373 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.006 -1.035 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.503 -3.534 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.362 -3.584 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.303 -4.601 2.158 1.00 0.00 H new ATOM 890 N VAL A 58 3.582 -1.901 2.674 1.00 0.00 N ATOM 891 CA VAL A 58 2.492 -0.948 2.503 1.00 0.00 C ATOM 892 C VAL A 58 1.587 -0.921 3.730 1.00 0.00 C ATOM 893 O VAL A 58 1.175 0.144 4.187 1.00 0.00 O ATOM 894 CB VAL A 58 1.645 -1.281 1.261 1.00 0.00 C ATOM 895 CG1 VAL A 58 0.487 -0.303 1.126 1.00 0.00 C ATOM 896 CG2 VAL A 58 2.510 -1.272 0.009 1.00 0.00 C ATOM 0 H VAL A 58 3.376 -2.842 2.338 1.00 0.00 H new ATOM 0 HA VAL A 58 2.948 0.033 2.370 1.00 0.00 H new ATOM 0 HB VAL A 58 1.231 -2.282 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.100 -0.554 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.146 -0.364 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.876 0.710 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.896 -1.509 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.954 -0.285 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.301 -2.015 0.108 1.00 0.00 H new ATOM 906 N ALA A 59 1.282 -2.102 4.258 1.00 0.00 N ATOM 907 CA ALA A 59 0.427 -2.214 5.434 1.00 0.00 C ATOM 908 C ALA A 59 1.133 -1.684 6.678 1.00 0.00 C ATOM 909 O ALA A 59 0.486 -1.290 7.648 1.00 0.00 O ATOM 910 CB ALA A 59 0.003 -3.660 5.641 1.00 0.00 C ATOM 0 H ALA A 59 1.614 -2.994 3.891 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.462 -1.606 5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.635 -3.730 6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.547 -4.007 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.887 -4.282 5.783 1.00 0.00 H new ATOM 916 N GLU A 60 2.462 -1.680 6.643 1.00 0.00 N ATOM 917 CA GLU A 60 3.253 -1.200 7.769 1.00 0.00 C ATOM 918 C GLU A 60 2.903 0.247 8.103 1.00 0.00 C ATOM 919 O GLU A 60 2.325 0.531 9.152 1.00 0.00 O ATOM 920 CB GLU A 60 4.747 -1.315 7.457 1.00 0.00 C ATOM 921 CG GLU A 60 5.472 -2.335 8.319 1.00 0.00 C ATOM 922 CD GLU A 60 6.875 -1.894 8.689 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.796 -2.095 7.870 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.051 -1.347 9.798 1.00 0.00 O ATOM 0 H GLU A 60 3.013 -2.004 5.848 1.00 0.00 H new ATOM 0 HA GLU A 60 3.020 -1.821 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.871 -1.585 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.214 -0.340 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.898 -2.510 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.522 -3.285 7.787 1.00 0.00 H new ATOM 931 N ALA A 61 3.256 1.159 7.203 1.00 0.00 N ATOM 932 CA ALA A 61 2.978 2.576 7.400 1.00 0.00 C ATOM 933 C ALA A 61 1.506 2.807 7.723 1.00 0.00 C ATOM 934 O ALA A 61 1.163 3.696 8.502 1.00 0.00 O ATOM 935 CB ALA A 61 3.381 3.370 6.166 1.00 0.00 C ATOM 0 H ALA A 61 3.736 0.941 6.330 1.00 0.00 H new ATOM 0 HA ALA A 61 3.568 2.922 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.168 4.427 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.447 3.239 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.817 3.014 5.304 1.00 0.00 H new ATOM 941 N VAL A 62 0.639 2.000 7.119 1.00 0.00 N ATOM 942 CA VAL A 62 -0.797 2.117 7.342 1.00 0.00 C ATOM 943 C VAL A 62 -1.132 2.018 8.826 1.00 0.00 C ATOM 944 O VAL A 62 -2.171 2.505 9.273 1.00 0.00 O ATOM 945 CB VAL A 62 -1.574 1.028 6.579 1.00 0.00 C ATOM 946 CG1 VAL A 62 -3.055 1.090 6.920 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.357 1.171 5.080 1.00 0.00 C ATOM 0 H VAL A 62 0.906 1.258 6.472 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.097 3.096 6.969 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.196 0.053 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.588 0.313 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.189 0.935 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.452 2.067 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.913 0.394 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.707 2.150 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.295 1.072 4.855 1.00 0.00 H new ATOM 957 N VAL A 63 -0.244 1.386 9.587 1.00 0.00 N ATOM 958 CA VAL A 63 -0.444 1.224 11.022 1.00 0.00 C ATOM 959 C VAL A 63 -0.101 2.506 11.772 1.00 0.00 C ATOM 960 O VAL A 63 -0.978 3.165 12.332 1.00 0.00 O ATOM 961 CB VAL A 63 0.410 0.071 11.582 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.322 0.029 13.100 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.025 -1.255 10.977 1.00 0.00 C ATOM 0 H VAL A 63 0.621 0.978 9.233 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.498 0.990 11.170 1.00 0.00 H new ATOM 0 HB VAL A 63 1.450 0.246 11.308 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.932 -0.792 13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.686 0.970 13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.715 -0.121 13.400 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.589 -2.059 11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.072 -1.439 11.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.096 -1.218 9.894 1.00 0.00 H new ATOM 973 N LYS A 64 1.181 2.856 11.780 1.00 0.00 N ATOM 974 CA LYS A 64 1.642 4.061 12.460 1.00 0.00 C ATOM 975 C LYS A 64 0.916 5.294 11.932 1.00 0.00 C ATOM 976 O LYS A 64 0.774 6.294 12.638 1.00 0.00 O ATOM 977 CB LYS A 64 3.152 4.228 12.278 1.00 0.00 C ATOM 978 CG LYS A 64 3.610 4.086 10.837 1.00 0.00 C ATOM 979 CD LYS A 64 4.664 3.001 10.690 1.00 0.00 C ATOM 980 CE LYS A 64 5.890 3.296 11.540 1.00 0.00 C ATOM 981 NZ LYS A 64 7.133 3.348 10.722 1.00 0.00 N ATOM 0 H LYS A 64 1.920 2.322 11.323 1.00 0.00 H new ATOM 0 HA LYS A 64 1.420 3.957 13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.448 5.209 12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.667 3.487 12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.754 3.851 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.014 5.036 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.241 2.040 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.957 2.917 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.754 4.247 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.992 2.529 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.946 3.551 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.277 2.432 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.046 4.097 10.005 1.00 0.00 H new ATOM 995 N THR A 65 0.457 5.218 10.687 1.00 0.00 N ATOM 996 CA THR A 65 -0.254 6.328 10.065 1.00 0.00 C ATOM 997 C THR A 65 -1.684 6.425 10.584 1.00 0.00 C ATOM 998 O THR A 65 -2.295 7.494 10.557 1.00 0.00 O ATOM 999 CB THR A 65 -0.285 6.187 8.532 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.047 6.237 8.008 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.124 7.290 7.904 1.00 0.00 C ATOM 0 H THR A 65 0.565 4.399 10.089 1.00 0.00 H new ATOM 0 HA THR A 65 0.287 7.237 10.328 1.00 0.00 H new ATOM 0 HB THR A 65 -0.735 5.225 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.507 5.394 8.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.131 7.170 6.821 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.145 7.231 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.698 8.261 8.158 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.214 5.302 11.057 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.573 5.260 11.584 1.00 0.00 C ATOM 1011 C LEU A 66 -3.577 4.836 13.050 1.00 0.00 C ATOM 1012 O LEU A 66 -4.231 3.862 13.422 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.431 4.297 10.761 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.951 4.835 9.427 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.882 4.720 8.352 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.213 4.094 9.009 1.00 0.00 C ATOM 0 H LEU A 66 -1.723 4.409 11.086 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.994 6.263 11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.846 3.398 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.286 3.995 11.366 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.198 5.889 9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.270 5.108 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.005 5.296 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.603 3.674 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.569 4.490 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.992 3.032 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.983 4.229 9.769 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.843 5.575 13.876 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.763 5.276 15.301 1.00 0.00 C ATOM 1030 C GLN A 67 -3.105 6.506 16.135 1.00 0.00 C ATOM 1031 O GLN A 67 -2.524 6.749 17.193 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.364 4.773 15.660 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.159 3.293 15.380 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.738 2.519 16.614 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.424 2.536 17.636 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.396 1.833 16.524 1.00 0.00 N ATOM 0 H GLN A 67 -2.296 6.384 13.583 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.490 4.495 15.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.626 5.346 15.099 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.179 4.963 16.717 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.084 2.870 14.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.401 3.175 14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.933 1.847 15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.730 1.292 17.322 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.069 7.301 15.650 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.510 8.520 16.336 1.00 0.00 C ATOM 1047 C PRO A 68 -5.270 8.218 17.623 1.00 0.00 C ATOM 1048 O PRO A 68 -4.986 8.794 18.673 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.433 9.188 15.314 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.928 8.070 14.463 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.805 7.073 14.395 1.00 0.00 C ATOM 0 HA PRO A 68 -3.669 9.142 16.642 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.257 9.707 15.804 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.897 9.929 14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.824 7.620 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.195 8.426 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.179 6.051 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.173 7.239 13.523 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.238 7.311 17.534 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.038 6.932 18.693 1.00 0.00 C ATOM 1061 C VAL A 69 -7.583 5.516 18.544 1.00 0.00 C ATOM 1062 O VAL A 69 -8.788 5.316 18.391 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.215 7.903 18.904 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.726 9.212 19.507 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.944 8.151 17.592 1.00 0.00 C ATOM 0 H VAL A 69 -6.487 6.825 16.672 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.380 6.976 19.561 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.917 7.448 19.603 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.571 9.885 19.649 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.253 9.015 20.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.003 9.674 18.835 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.772 8.839 17.760 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.254 8.584 16.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.329 7.207 17.206 1.00 0.00 H new ATOM 1075 N SER A 70 -6.687 4.535 18.590 1.00 0.00 N ATOM 1076 CA SER A 70 -7.078 3.136 18.458 1.00 0.00 C ATOM 1077 C SER A 70 -8.160 2.776 19.470 1.00 0.00 C ATOM 1078 O SER A 70 -8.967 1.876 19.239 1.00 0.00 O ATOM 1079 CB SER A 70 -5.863 2.226 18.647 1.00 0.00 C ATOM 1080 OG SER A 70 -4.772 2.940 19.203 1.00 0.00 O ATOM 0 H SER A 70 -5.686 4.683 18.718 1.00 0.00 H new ATOM 0 HA SER A 70 -7.481 2.990 17.456 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.127 1.393 19.299 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.571 1.800 17.687 1.00 0.00 H new ATOM 0 HG SER A 70 -4.009 2.336 19.315 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.170 3.485 20.593 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.154 3.242 21.642 1.00 0.00 C ATOM 1088 C ASP A 71 -10.570 3.271 21.077 1.00 0.00 C ATOM 1089 O ASP A 71 -11.477 2.630 21.610 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.014 4.284 22.754 1.00 0.00 C ATOM 1091 CG ASP A 71 -9.006 3.659 24.135 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -9.618 2.583 24.303 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -8.388 4.246 25.047 1.00 0.00 O ATOM 0 H ASP A 71 -7.508 4.233 20.801 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.968 2.251 22.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.092 4.846 22.607 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.836 4.997 22.686 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.754 4.019 19.994 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.061 4.133 19.356 1.00 0.00 C ATOM 1100 C LEU A 72 -12.282 2.998 18.361 1.00 0.00 C ATOM 1101 O LEU A 72 -13.326 2.346 18.369 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.188 5.482 18.645 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.315 6.708 19.550 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.023 7.980 18.769 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.702 6.769 20.172 1.00 0.00 C ATOM 0 H LEU A 72 -10.015 4.555 19.540 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.824 4.065 20.132 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.316 5.616 18.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.060 5.445 17.992 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.582 6.622 20.352 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.118 8.842 19.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.009 7.938 18.371 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.732 8.073 17.946 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.775 7.648 20.813 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.452 6.832 19.383 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.874 5.871 20.766 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.292 2.767 17.507 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.376 1.709 16.506 1.00 0.00 C ATOM 1119 C LEU A 73 -11.764 0.381 17.149 1.00 0.00 C ATOM 1120 O LEU A 73 -12.677 -0.303 16.686 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.040 1.564 15.775 1.00 0.00 C ATOM 1122 CG LEU A 73 -9.355 2.867 15.363 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -8.153 2.582 14.477 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -10.339 3.785 14.651 1.00 0.00 C ATOM 0 H LEU A 73 -10.421 3.298 17.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.148 1.983 15.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.357 1.005 16.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.202 0.963 14.880 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.005 3.371 16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.679 3.522 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.438 1.964 15.021 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.479 2.056 13.580 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.834 4.708 14.365 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.720 3.288 13.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.168 4.017 15.319 1.00 0.00 H new ATOM 1136 N THR A 74 -11.064 0.022 18.221 1.00 0.00 N ATOM 1137 CA THR A 74 -11.335 -1.223 18.929 1.00 0.00 C ATOM 1138 C THR A 74 -12.754 -1.241 19.487 1.00 0.00 C ATOM 1139 O THR A 74 -13.331 -2.305 19.705 1.00 0.00 O ATOM 1140 CB THR A 74 -10.339 -1.441 20.084 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.176 -0.629 19.887 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.932 -2.904 20.178 1.00 0.00 C ATOM 0 H THR A 74 -10.305 0.576 18.618 1.00 0.00 H new ATOM 0 HA THR A 74 -11.222 -2.029 18.204 1.00 0.00 H new ATOM 0 HB THR A 74 -10.828 -1.155 21.015 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.404 0.312 20.042 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.229 -3.034 21.000 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.816 -3.517 20.356 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.460 -3.211 19.245 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.310 -0.055 19.714 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.663 0.065 20.246 1.00 0.00 C ATOM 1152 C ASN A 75 -15.698 -0.054 19.132 1.00 0.00 C ATOM 1153 O ASN A 75 -16.849 -0.417 19.377 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.830 1.401 20.973 1.00 0.00 C ATOM 1155 CG ASN A 75 -16.283 1.825 21.075 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.139 1.050 21.503 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -16.567 3.061 20.681 1.00 0.00 N ATOM 0 H ASN A 75 -12.845 0.836 19.538 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.823 -0.749 20.954 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.406 1.323 21.974 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.265 2.171 20.447 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.527 3.403 20.726 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.825 3.669 20.333 1.00 0.00 H new ATOM 1164 N MET A 76 -15.281 0.252 17.908 1.00 0.00 N ATOM 1165 CA MET A 76 -16.172 0.178 16.756 1.00 0.00 C ATOM 1166 C MET A 76 -16.073 -1.186 16.080 1.00 0.00 C ATOM 1167 O MET A 76 -17.009 -1.629 15.415 1.00 0.00 O ATOM 1168 CB MET A 76 -15.837 1.283 15.753 1.00 0.00 C ATOM 1169 CG MET A 76 -15.930 2.683 16.337 1.00 0.00 C ATOM 1170 SD MET A 76 -15.661 3.970 15.103 1.00 0.00 S ATOM 1171 CE MET A 76 -13.872 4.049 15.081 1.00 0.00 C ATOM 0 H MET A 76 -14.332 0.554 17.688 1.00 0.00 H new ATOM 0 HA MET A 76 -17.194 0.316 17.109 1.00 0.00 H new ATOM 0 HB2 MET A 76 -14.828 1.123 15.373 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.514 1.207 14.902 1.00 0.00 H new ATOM 0 HG2 MET A 76 -16.912 2.819 16.790 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.194 2.790 17.134 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.555 5.010 14.675 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.490 3.940 16.096 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.480 3.245 14.458 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.933 -1.847 16.255 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.734 -3.154 15.655 1.00 0.00 C ATOM 1183 C GLY A 77 -13.441 -3.239 14.868 1.00 0.00 C ATOM 1184 O GLY A 77 -12.971 -4.332 14.551 1.00 0.00 O ATOM 0 H GLY A 77 -14.144 -1.501 16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.730 -3.913 16.437 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.572 -3.380 14.996 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.867 -2.084 14.550 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.621 -2.033 13.794 1.00 0.00 C ATOM 1190 C ILE A 78 -10.414 -2.182 14.713 1.00 0.00 C ATOM 1191 O ILE A 78 -10.151 -1.322 15.554 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.494 -0.716 13.007 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.617 -0.602 11.974 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.134 -0.633 12.330 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.687 0.752 11.304 1.00 0.00 C ATOM 0 H ILE A 78 -13.244 -1.171 14.804 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.644 -2.866 13.091 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.583 0.117 13.705 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.478 -1.369 11.212 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.570 -0.807 12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.059 0.304 11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.349 -0.673 13.085 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.018 -1.470 11.642 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.506 0.760 10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.858 1.522 12.056 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.748 0.951 10.787 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.682 -3.278 14.546 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.500 -3.539 15.359 1.00 0.00 C ATOM 1209 C ASP A 79 -7.243 -3.012 14.675 1.00 0.00 C ATOM 1210 O ASP A 79 -7.039 -3.223 13.479 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.359 -5.039 15.626 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.284 -5.359 17.106 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.344 -5.373 17.765 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.163 -5.594 17.606 1.00 0.00 O ATOM 0 H ASP A 79 -9.886 -4.000 13.855 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.621 -3.018 16.309 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.207 -5.565 15.186 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.462 -5.410 15.131 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.403 -2.324 15.441 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.165 -1.765 14.909 1.00 0.00 C ATOM 1221 C LEU A 80 -4.017 -2.760 15.040 1.00 0.00 C ATOM 1222 O LEU A 80 -3.086 -2.759 14.235 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.815 -0.466 15.636 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.314 0.681 14.758 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -2.962 0.338 14.153 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.325 0.998 13.666 1.00 0.00 C ATOM 0 H LEU A 80 -6.557 -2.140 16.432 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.317 -1.552 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.699 -0.125 16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.052 -0.685 16.383 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.195 1.566 15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.621 1.166 13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.240 0.162 14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.054 -0.560 13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.952 1.817 13.051 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.476 0.116 13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.272 1.288 14.120 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.091 -3.609 16.060 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.059 -4.612 16.295 1.00 0.00 C ATOM 1240 C ASP A 81 -3.144 -5.731 15.262 1.00 0.00 C ATOM 1241 O ASP A 81 -2.159 -6.421 14.999 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.193 -5.191 17.705 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.966 -4.932 18.556 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.319 -3.881 18.361 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.653 -5.779 19.418 1.00 0.00 O ATOM 0 H ASP A 81 -4.854 -3.622 16.736 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.087 -4.128 16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.067 -4.757 18.191 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.365 -6.265 17.639 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.326 -5.905 14.680 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.539 -6.942 13.678 1.00 0.00 C ATOM 1252 C GLU A 82 -4.009 -6.499 12.317 1.00 0.00 C ATOM 1253 O GLU A 82 -3.565 -7.321 11.515 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.027 -7.283 13.571 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.799 -6.355 12.649 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.298 -6.436 12.863 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.753 -7.389 13.529 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.017 -5.544 12.365 1.00 0.00 O ATOM 0 H GLU A 82 -5.151 -5.341 14.885 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.992 -7.831 13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.132 -8.307 13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.472 -7.246 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.467 -5.329 12.811 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.569 -6.604 11.613 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.060 -5.197 12.064 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.586 -4.644 10.800 1.00 0.00 C ATOM 1267 C TRP A 83 -2.137 -5.043 10.541 1.00 0.00 C ATOM 1268 O TRP A 83 -1.758 -5.335 9.407 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.716 -3.120 10.805 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.107 -2.641 10.523 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.264 -3.354 10.665 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.488 -1.345 10.047 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.340 -2.578 10.306 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.891 -1.342 9.925 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.780 -0.187 9.715 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.597 -0.226 9.483 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.482 0.920 9.277 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.878 0.894 9.165 1.00 0.00 C ATOM 0 H TRP A 83 -4.425 -4.504 12.717 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.204 -5.051 9.999 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.398 -2.739 11.775 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.038 -2.702 10.061 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.324 -4.376 11.009 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.316 -2.875 10.321 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.704 -0.158 9.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.673 -0.244 9.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.945 1.820 9.017 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.398 1.776 8.821 1.00 0.00 H new ATOM 1289 N SER A 84 -1.333 -5.052 11.599 1.00 0.00 N ATOM 1290 CA SER A 84 0.076 -5.411 11.484 1.00 0.00 C ATOM 1291 C SER A 84 0.238 -6.913 11.269 1.00 0.00 C ATOM 1292 O SER A 84 1.234 -7.368 10.706 1.00 0.00 O ATOM 1293 CB SER A 84 0.838 -4.980 12.739 1.00 0.00 C ATOM 1294 OG SER A 84 0.734 -5.957 13.760 1.00 0.00 O ATOM 0 H SER A 84 -1.632 -4.815 12.545 1.00 0.00 H new ATOM 0 HA SER A 84 0.489 -4.891 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.887 -4.817 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.444 -4.030 13.099 1.00 0.00 H new ATOM 0 HG SER A 84 -0.198 -6.024 14.055 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.750 -7.679 11.720 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.720 -9.130 11.577 1.00 0.00 C ATOM 1302 C VAL A 85 -1.885 -9.623 10.727 1.00 0.00 C ATOM 1303 O VAL A 85 -2.483 -10.659 11.016 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.766 -9.831 12.948 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.425 -9.418 13.799 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.074 -9.521 13.660 1.00 0.00 C ATOM 0 H VAL A 85 -1.582 -7.319 12.188 1.00 0.00 H new ATOM 0 HA VAL A 85 0.218 -9.379 11.081 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.712 -10.908 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.376 -9.923 14.764 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.349 -9.695 13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.405 -8.339 13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.090 -10.024 14.627 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.161 -8.445 13.809 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.910 -9.872 13.055 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.204 -8.872 9.677 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.297 -9.234 8.783 1.00 0.00 C ATOM 1318 C ALA A 86 -2.793 -9.448 7.360 1.00 0.00 C ATOM 1319 O ALA A 86 -1.637 -9.162 7.049 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.376 -8.162 8.808 1.00 0.00 C ATOM 0 H ALA A 86 -1.721 -8.010 9.425 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.726 -10.173 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.186 -8.445 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.764 -8.060 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.952 -7.211 8.485 1.00 0.00 H new ATOM 1326 N THR A 87 -3.669 -9.955 6.497 1.00 0.00 N ATOM 1327 CA THR A 87 -3.313 -10.209 5.107 1.00 0.00 C ATOM 1328 C THR A 87 -3.722 -9.044 4.212 1.00 0.00 C ATOM 1329 O THR A 87 -4.839 -8.535 4.311 1.00 0.00 O ATOM 1330 CB THR A 87 -3.974 -11.499 4.585 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.468 -11.816 3.283 1.00 0.00 O ATOM 1332 CG2 THR A 87 -5.486 -11.346 4.523 1.00 0.00 C ATOM 0 H THR A 87 -4.630 -10.198 6.737 1.00 0.00 H new ATOM 0 HA THR A 87 -2.230 -10.325 5.075 1.00 0.00 H new ATOM 0 HB THR A 87 -3.735 -12.308 5.275 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.203 -12.124 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.930 -12.269 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.871 -11.133 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.741 -10.525 3.853 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.812 -8.627 3.339 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.078 -7.521 2.427 1.00 0.00 C ATOM 1342 C PHE A 88 -2.981 -7.979 0.974 1.00 0.00 C ATOM 1343 O PHE A 88 -1.895 -8.017 0.395 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.096 -6.376 2.679 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.597 -5.363 3.668 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.090 -5.762 4.900 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -2.576 -4.010 3.366 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.552 -4.833 5.812 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.036 -3.076 4.275 1.00 0.00 C ATOM 1350 CZ PHE A 88 -3.526 -3.488 5.499 1.00 0.00 C ATOM 0 H PHE A 88 -1.883 -9.038 3.244 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.092 -7.167 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.154 -6.789 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.884 -5.875 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.113 -6.812 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.196 -3.682 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.933 -5.158 6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.012 -2.025 4.028 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.888 -2.760 6.210 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.123 -8.326 0.392 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.167 -8.784 -0.991 1.00 0.00 C ATOM 1362 C TYR A 89 -4.274 -7.604 -1.953 1.00 0.00 C ATOM 1363 O TYR A 89 -5.335 -6.992 -2.088 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.348 -9.734 -1.198 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.226 -11.029 -0.428 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.328 -12.013 -0.822 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.009 -11.268 0.695 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.213 -13.198 -0.121 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -5.900 -12.450 1.403 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.001 -13.411 0.991 1.00 0.00 C ATOM 1371 OH TYR A 89 -4.890 -14.590 1.692 1.00 0.00 O ATOM 0 H TYR A 89 -5.031 -8.299 0.856 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.239 -9.317 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.266 -9.229 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.440 -9.960 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.709 -11.849 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.714 -10.518 1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.510 -13.953 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.515 -12.620 2.274 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.514 -14.581 2.448 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.169 -7.292 -2.620 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.137 -6.186 -3.571 1.00 0.00 C ATOM 1383 C LEU A 90 -3.737 -6.601 -4.910 1.00 0.00 C ATOM 1384 O LEU A 90 -3.168 -7.422 -5.629 1.00 0.00 O ATOM 1385 CB LEU A 90 -1.699 -5.702 -3.771 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.042 -5.033 -2.564 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -1.963 -3.979 -1.970 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.671 -6.072 -1.515 1.00 0.00 C ATOM 0 H LEU A 90 -2.284 -7.789 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.735 -5.371 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.088 -6.555 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.686 -4.998 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.129 -4.541 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.478 -3.514 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.178 -3.219 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.894 -4.448 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.204 -5.578 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.570 -6.593 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.027 -6.790 -1.945 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.889 -6.027 -5.240 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.566 -6.337 -6.494 1.00 0.00 C ATOM 1402 C PHE A 91 -5.320 -5.243 -7.530 1.00 0.00 C ATOM 1403 O PHE A 91 -4.740 -4.201 -7.222 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.069 -6.503 -6.259 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.521 -7.935 -6.263 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.845 -8.891 -5.522 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.622 -8.326 -7.009 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.259 -10.210 -5.523 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -9.040 -9.643 -7.013 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.357 -10.586 -6.271 1.00 0.00 C ATOM 0 H PHE A 91 -5.373 -5.345 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.159 -7.273 -6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.331 -6.050 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.612 -5.957 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.984 -8.602 -4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.159 -7.593 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.724 -10.945 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.901 -9.935 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.681 -11.616 -6.276 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.764 -5.489 -8.757 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.593 -4.526 -9.839 1.00 0.00 C ATOM 1422 C ASP A 92 -6.944 -4.019 -10.334 1.00 0.00 C ATOM 1423 O ASP A 92 -7.969 -4.216 -9.682 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.816 -5.158 -10.995 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.645 -4.306 -11.441 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.763 -4.025 -10.603 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.610 -3.918 -12.628 1.00 0.00 O ATOM 0 H ASP A 92 -6.245 -6.347 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.027 -3.679 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.452 -6.139 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.489 -5.315 -11.838 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.937 -3.365 -11.490 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.162 -2.830 -12.073 1.00 0.00 C ATOM 1434 C ASP A 93 -8.905 -3.906 -12.859 1.00 0.00 C ATOM 1435 O ASP A 93 -9.989 -3.664 -13.388 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.842 -1.644 -12.985 1.00 0.00 C ATOM 1437 CG ASP A 93 -6.765 -0.745 -12.410 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.092 0.094 -11.544 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -5.595 -0.881 -12.824 1.00 0.00 O ATOM 0 H ASP A 93 -6.097 -3.192 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.804 -2.491 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.520 -2.014 -13.958 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.748 -1.061 -13.149 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.313 -5.093 -12.932 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.919 -6.206 -13.652 1.00 0.00 C ATOM 1446 C ALA A 94 -9.442 -7.265 -12.687 1.00 0.00 C ATOM 1447 O ALA A 94 -10.286 -8.084 -13.047 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.916 -6.819 -14.618 1.00 0.00 C ATOM 0 H ALA A 94 -7.414 -5.309 -12.501 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.765 -5.820 -14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.382 -7.649 -15.149 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.594 -6.064 -15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.052 -7.183 -14.063 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.933 -7.242 -11.459 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.360 -8.206 -10.462 1.00 0.00 C ATOM 1456 C GLY A 95 -8.317 -9.275 -10.204 1.00 0.00 C ATOM 1457 O GLY A 95 -8.647 -10.385 -9.787 1.00 0.00 O ATOM 0 H GLY A 95 -8.233 -6.573 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.581 -7.686 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.286 -8.678 -10.791 1.00 0.00 H new ATOM 1461 N GLU A 96 -7.055 -8.942 -10.456 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.961 -9.884 -10.252 1.00 0.00 C ATOM 1463 C GLU A 96 -4.902 -9.294 -9.324 1.00 0.00 C ATOM 1464 O GLU A 96 -4.961 -8.118 -8.967 1.00 0.00 O ATOM 1465 CB GLU A 96 -5.327 -10.262 -11.592 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.631 -9.103 -12.285 1.00 0.00 C ATOM 1467 CD GLU A 96 -5.591 -8.232 -13.071 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -6.227 -7.348 -12.459 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -5.707 -8.434 -14.298 1.00 0.00 O ATOM 0 H GLU A 96 -6.765 -8.027 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.369 -10.781 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.606 -11.063 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.100 -10.657 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.120 -8.493 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.866 -9.493 -12.957 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.936 -10.122 -8.937 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.865 -9.683 -8.050 1.00 0.00 C ATOM 1478 C GLU A 97 -1.739 -9.024 -8.841 1.00 0.00 C ATOM 1479 O GLU A 97 -0.727 -9.656 -9.144 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.318 -10.867 -7.251 1.00 0.00 C ATOM 1481 CG GLU A 97 -1.831 -10.491 -5.861 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.374 -11.410 -4.785 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -1.797 -12.501 -4.591 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.375 -11.040 -4.136 1.00 0.00 O ATOM 0 H GLU A 97 -3.873 -11.099 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.278 -8.948 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.097 -11.625 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.495 -11.319 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.742 -10.519 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.127 -9.465 -5.641 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.923 -7.751 -9.174 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.923 -7.006 -9.931 1.00 0.00 C ATOM 1493 C ASN A 98 -0.466 -5.771 -9.161 1.00 0.00 C ATOM 1494 O ASN A 98 -1.168 -5.285 -8.273 1.00 0.00 O ATOM 1495 CB ASN A 98 -1.487 -6.593 -11.292 1.00 0.00 C ATOM 1496 CG ASN A 98 -1.142 -7.584 -12.386 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.680 -8.794 -12.280 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 -0.400 -7.266 -13.316 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.755 -7.213 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.061 -7.656 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.570 -6.499 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.099 -5.610 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.009 -6.325 -13.357 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.177 -7.944 -14.045 1.00 0.00 H new ATOM 1505 N PHE A 99 0.714 -5.267 -9.507 1.00 0.00 N ATOM 1506 CA PHE A 99 1.265 -4.089 -8.848 1.00 0.00 C ATOM 1507 C PHE A 99 1.506 -2.967 -9.854 1.00 0.00 C ATOM 1508 O PHE A 99 2.630 -2.490 -10.010 1.00 0.00 O ATOM 1509 CB PHE A 99 2.573 -4.441 -8.137 1.00 0.00 C ATOM 1510 CG PHE A 99 3.502 -5.277 -8.970 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.380 -6.657 -8.994 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.498 -4.683 -9.728 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.233 -7.429 -9.760 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.354 -5.450 -10.496 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.222 -6.825 -10.511 1.00 0.00 C ATOM 0 H PHE A 99 1.307 -5.656 -10.240 1.00 0.00 H new ATOM 0 HA PHE A 99 0.541 -3.743 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.082 -3.520 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.344 -4.976 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.609 -7.135 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.607 -3.609 -9.719 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.126 -8.504 -9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.125 -4.975 -11.084 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.891 -7.426 -11.109 1.00 0.00 H new ATOM 1525 N SER A 100 0.442 -2.550 -10.533 1.00 0.00 N ATOM 1526 CA SER A 100 0.538 -1.488 -11.527 1.00 0.00 C ATOM 1527 C SER A 100 0.565 -0.118 -10.856 1.00 0.00 C ATOM 1528 O SER A 100 0.709 -0.013 -9.638 1.00 0.00 O ATOM 1529 CB SER A 100 -0.638 -1.566 -12.503 1.00 0.00 C ATOM 1530 OG SER A 100 -0.398 -0.776 -13.655 1.00 0.00 O ATOM 0 H SER A 100 -0.496 -2.932 -10.413 1.00 0.00 H new ATOM 0 HA SER A 100 1.469 -1.623 -12.078 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.803 -2.603 -12.797 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.548 -1.227 -12.009 1.00 0.00 H new ATOM 0 HG SER A 100 -1.163 -0.844 -14.264 1.00 0.00 H new ATOM 1536 N SER A 101 0.427 0.931 -11.661 1.00 0.00 N ATOM 1537 CA SER A 101 0.440 2.296 -11.147 1.00 0.00 C ATOM 1538 C SER A 101 -0.557 2.455 -10.003 1.00 0.00 C ATOM 1539 O SER A 101 -0.369 3.283 -9.112 1.00 0.00 O ATOM 1540 CB SER A 101 0.113 3.287 -12.266 1.00 0.00 C ATOM 1541 OG SER A 101 1.284 3.934 -12.732 1.00 0.00 O ATOM 0 H SER A 101 0.305 0.862 -12.671 1.00 0.00 H new ATOM 0 HA SER A 101 1.439 2.506 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.369 2.763 -13.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.597 4.030 -11.902 1.00 0.00 H new ATOM 0 HG SER A 101 1.049 4.561 -13.448 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.619 1.656 -10.036 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.647 1.708 -9.004 1.00 0.00 C ATOM 1549 C ARG A 102 -3.138 0.306 -8.654 1.00 0.00 C ATOM 1550 O ARG A 102 -3.634 -0.421 -9.514 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.822 2.571 -9.467 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.927 2.703 -8.432 1.00 0.00 C ATOM 1553 CD ARG A 102 -4.682 3.882 -7.504 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.048 5.152 -8.124 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.303 5.551 -8.296 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.307 4.784 -7.896 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -6.556 6.721 -8.869 1.00 0.00 N ATOM 0 H ARG A 102 -1.790 0.965 -10.767 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.208 2.154 -8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.454 3.565 -9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.239 2.143 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.886 2.828 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.991 1.785 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.256 3.747 -6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.630 3.907 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.299 5.767 -8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.117 3.884 -7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.270 5.093 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.786 7.315 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.520 7.026 -9.001 1.00 0.00 H new ATOM 1571 N MET A 103 -2.995 -0.066 -7.386 1.00 0.00 N ATOM 1572 CA MET A 103 -3.424 -1.380 -6.923 1.00 0.00 C ATOM 1573 C MET A 103 -4.379 -1.254 -5.739 1.00 0.00 C ATOM 1574 O MET A 103 -4.112 -0.516 -4.791 1.00 0.00 O ATOM 1575 CB MET A 103 -2.213 -2.226 -6.528 1.00 0.00 C ATOM 1576 CG MET A 103 -1.500 -1.724 -5.282 1.00 0.00 C ATOM 1577 SD MET A 103 0.010 -2.642 -4.928 1.00 0.00 S ATOM 1578 CE MET A 103 0.924 -1.435 -3.971 1.00 0.00 C ATOM 0 H MET A 103 -2.586 0.524 -6.662 1.00 0.00 H new ATOM 0 HA MET A 103 -3.950 -1.872 -7.741 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.537 -3.254 -6.362 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.507 -2.244 -7.358 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.258 -0.669 -5.407 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.174 -1.797 -4.428 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.993 -1.574 -4.136 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.636 -0.431 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.700 -1.565 -2.912 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.490 -1.978 -5.802 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.485 -1.945 -4.737 1.00 0.00 C ATOM 1590 C TYR A 104 -6.053 -2.815 -3.560 1.00 0.00 C ATOM 1591 O TYR A 104 -5.277 -3.758 -3.723 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.842 -2.417 -5.263 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.452 -1.485 -6.285 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.612 -0.132 -6.013 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.868 -1.958 -7.524 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.170 0.723 -6.945 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.425 -1.110 -8.462 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.574 0.229 -8.167 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.129 1.077 -9.098 1.00 0.00 O ATOM 0 H TYR A 104 -5.725 -2.595 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.575 -0.915 -4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.726 -3.405 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.530 -2.524 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.295 0.258 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.754 -3.006 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.289 1.772 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.742 -1.493 -9.421 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.358 0.571 -9.905 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.561 -2.492 -2.376 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.228 -3.243 -1.171 1.00 0.00 C ATOM 1611 C CYS A 105 -7.438 -4.022 -0.665 1.00 0.00 C ATOM 1612 O CYS A 105 -8.291 -3.477 0.036 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.722 -2.298 -0.080 1.00 0.00 C ATOM 1614 SG CYS A 105 -6.778 -0.857 0.197 1.00 0.00 S ATOM 0 H CYS A 105 -7.205 -1.715 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.440 -3.953 -1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.632 -2.853 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.722 -1.956 -0.346 1.00 0.00 H new ATOM 0 HG CYS A 105 -8.021 -1.234 0.252 1.00 0.00 H new ATOM 1620 N SER A 106 -7.505 -5.300 -1.025 1.00 0.00 N ATOM 1621 CA SER A 106 -8.613 -6.153 -0.613 1.00 0.00 C ATOM 1622 C SER A 106 -8.189 -7.085 0.518 1.00 0.00 C ATOM 1623 O SER A 106 -7.077 -7.615 0.518 1.00 0.00 O ATOM 1624 CB SER A 106 -9.123 -6.972 -1.800 1.00 0.00 C ATOM 1625 OG SER A 106 -8.131 -7.087 -2.804 1.00 0.00 O ATOM 0 H SER A 106 -6.805 -5.767 -1.601 1.00 0.00 H new ATOM 0 HA SER A 106 -9.417 -5.513 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.418 -7.965 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.013 -6.500 -2.216 1.00 0.00 H new ATOM 0 HG SER A 106 -8.481 -7.616 -3.551 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.082 -7.280 1.482 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.802 -8.147 2.621 1.00 0.00 C ATOM 1633 C PHE A 107 -9.011 -9.613 2.253 1.00 0.00 C ATOM 1634 O PHE A 107 -8.272 -10.489 2.702 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.695 -7.774 3.806 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.158 -7.993 3.546 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.753 -9.209 3.842 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.938 -6.984 3.004 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.099 -9.414 3.605 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.284 -7.183 2.764 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.866 -8.400 3.064 1.00 0.00 C ATOM 0 H PHE A 107 -10.006 -6.849 1.498 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.759 -8.007 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.397 -8.361 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.532 -6.726 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.158 -10.006 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.489 -6.031 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.551 -10.366 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.881 -6.388 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.918 -8.558 2.876 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.024 -9.872 1.434 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.334 -11.231 1.007 1.00 0.00 C ATOM 1653 C TYR A 108 -9.263 -11.763 0.060 1.00 0.00 C ATOM 1654 O TYR A 108 -8.574 -11.007 -0.626 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.702 -11.274 0.324 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.742 -10.539 -0.997 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.868 -9.156 -1.041 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.655 -11.227 -2.201 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.906 -8.480 -2.245 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.691 -10.559 -3.410 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.817 -9.186 -3.426 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.854 -8.517 -4.628 1.00 0.00 O ATOM 0 H TYR A 108 -10.645 -9.158 1.052 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.357 -11.866 1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.985 -12.314 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.447 -10.843 0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.937 -8.600 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.558 -12.303 -2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.005 -7.405 -2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.621 -11.109 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.779 -9.161 -5.363 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.118 -13.096 0.020 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.134 -13.760 -0.839 1.00 0.00 C ATOM 1674 C PRO A 109 -8.492 -13.657 -2.318 1.00 0.00 C ATOM 1675 O PRO A 109 -9.603 -13.274 -2.687 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.187 -15.218 -0.377 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.550 -15.384 0.200 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.905 -14.057 0.811 1.00 0.00 C ATOM 0 HA PRO A 109 -7.146 -13.307 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.023 -15.903 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.415 -15.427 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.269 -15.664 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.563 -16.175 0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.974 -13.855 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.642 -14.018 1.868 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.531 -14.005 -3.186 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.723 -13.961 -4.639 1.00 0.00 C ATOM 1688 C PRO A 110 -8.691 -15.033 -5.129 1.00 0.00 C ATOM 1689 O PRO A 110 -9.611 -14.747 -5.895 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.318 -14.217 -5.190 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.623 -14.980 -4.115 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.184 -14.470 -2.816 1.00 0.00 C ATOM 0 HA PRO A 110 -8.158 -13.016 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.355 -14.786 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.802 -13.282 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.797 -16.051 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.545 -14.826 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.223 -15.254 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.578 -13.662 -2.406 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.477 -16.265 -4.682 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.332 -17.380 -5.074 1.00 0.00 C ATOM 1702 C ASP A 111 -8.865 -18.678 -4.423 1.00 0.00 C ATOM 1703 O ASP A 111 -9.676 -19.539 -4.084 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.341 -17.533 -6.596 1.00 0.00 C ATOM 1705 CG ASP A 111 -10.707 -17.266 -7.197 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -11.449 -16.433 -6.637 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.033 -17.891 -8.227 1.00 0.00 O ATOM 0 H ASP A 111 -7.719 -16.517 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.345 -17.167 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.615 -16.846 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.023 -18.542 -6.859 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.554 -18.811 -4.252 1.00 0.00 N ATOM 1713 CA GLU A 112 -6.980 -20.005 -3.643 1.00 0.00 C ATOM 1714 C GLU A 112 -7.657 -20.315 -2.311 1.00 0.00 C ATOM 1715 O GLU A 112 -7.780 -19.445 -1.450 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.475 -19.825 -3.433 1.00 0.00 C ATOM 1717 CG GLU A 112 -4.629 -20.829 -4.199 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.110 -20.273 -5.511 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -4.766 -19.375 -6.077 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.045 -20.738 -5.971 1.00 0.00 O ATOM 0 H GLU A 112 -6.869 -18.107 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.147 -20.843 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.192 -18.817 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.252 -19.911 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.786 -21.136 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.221 -21.722 -4.396 1.00 0.00 H new