USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Single : A 1 MET CE :methyl 172:sc= -0.0648 (180deg=-0.139) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -47:sc= 0.242 USER MOD Single : A 10 SER OG : rot 180:sc= 0.199 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 21 THR OG1 : rot -130:sc= 0.939 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.241 F(o=-1.2,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.641 (180deg=0.336) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.111 (180deg=0.11) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.805 K(o=0.81,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0246 (180deg=-0.188) USER MOD Single : A 52 ASN : amide:sc= -0.0385 K(o=-0.038,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 139:sc= 1.25 USER MOD Single : A 57 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.8) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.376 F(o=-1.2,f=-0.38) USER MOD Single : A 59 CYS SG : rot 78:sc= 1.07 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.95 K(o=0.95,f=-0.56) USER MOD Single : A 68 HIS : no HD1:sc= -0.0771 X(o=-0.077,f=-0.042) USER MOD Single : A 71 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.58) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.206 0.918 -0.567 1.00 0.00 N ATOM 2 CA MET A 1 3.236 -0.091 -0.881 1.00 0.00 C ATOM 3 C MET A 1 2.633 -1.219 -1.703 1.00 0.00 C ATOM 4 O MET A 1 1.651 -1.846 -1.296 1.00 0.00 O ATOM 5 CB MET A 1 3.849 -0.644 0.413 1.00 0.00 C ATOM 6 CG MET A 1 4.959 -1.661 0.194 1.00 0.00 C ATOM 7 SD MET A 1 5.672 -2.254 1.746 1.00 0.00 S ATOM 8 CE MET A 1 6.912 -3.391 1.139 1.00 0.00 C ATOM 0 H1 MET A 1 2.630 1.684 -0.005 1.00 0.00 H new ATOM 0 H2 MET A 1 1.822 1.309 -1.451 1.00 0.00 H new ATOM 0 H3 MET A 1 1.439 0.473 -0.023 1.00 0.00 H new ATOM 0 HA MET A 1 4.024 0.384 -1.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.243 0.187 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.060 -1.106 1.006 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.565 -2.508 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.744 -1.212 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.532 -3.730 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.424 -4.249 0.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.537 -2.888 0.401 1.00 0.00 H new ATOM 20 N ILE A 2 3.225 -1.481 -2.851 1.00 0.00 N ATOM 21 CA ILE A 2 2.737 -2.501 -3.757 1.00 0.00 C ATOM 22 C ILE A 2 3.860 -3.461 -4.106 1.00 0.00 C ATOM 23 O ILE A 2 4.840 -3.080 -4.741 1.00 0.00 O ATOM 24 CB ILE A 2 2.170 -1.877 -5.056 1.00 0.00 C ATOM 25 CG1 ILE A 2 1.042 -0.893 -4.725 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.673 -2.964 -5.995 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.476 -0.177 -5.933 1.00 0.00 C ATOM 0 H ILE A 2 4.057 -0.993 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 2 1.933 -3.038 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 2 2.969 -1.331 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.238 -1.433 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.416 -0.152 -4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.278 -2.508 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.498 -3.628 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.886 -3.537 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.317 0.501 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.266 0.393 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.070 -0.908 -6.632 1.00 0.00 H new ATOM 39 N VAL A 3 3.719 -4.698 -3.693 1.00 0.00 N ATOM 40 CA VAL A 3 4.746 -5.681 -3.930 1.00 0.00 C ATOM 41 C VAL A 3 4.469 -6.461 -5.211 1.00 0.00 C ATOM 42 O VAL A 3 3.315 -6.697 -5.573 1.00 0.00 O ATOM 43 CB VAL A 3 4.903 -6.650 -2.728 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.132 -5.869 -1.441 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.700 -7.564 -2.587 1.00 0.00 C ATOM 0 H VAL A 3 2.902 -5.047 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 3 5.687 -5.143 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 3 5.774 -7.277 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.240 -6.564 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.039 -5.271 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.282 -5.212 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.846 -8.228 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.804 -6.964 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.585 -8.157 -3.494 1.00 0.00 H new ATOM 55 N PHE A 4 5.524 -6.832 -5.898 1.00 0.00 N ATOM 56 CA PHE A 4 5.405 -7.588 -7.132 1.00 0.00 C ATOM 57 C PHE A 4 5.516 -9.065 -6.832 1.00 0.00 C ATOM 58 O PHE A 4 6.470 -9.499 -6.197 1.00 0.00 O ATOM 59 CB PHE A 4 6.485 -7.155 -8.128 1.00 0.00 C ATOM 60 CG PHE A 4 6.287 -5.766 -8.669 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.426 -4.656 -7.848 1.00 0.00 C ATOM 62 CD2 PHE A 4 5.960 -5.570 -9.998 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.241 -3.383 -8.345 1.00 0.00 C ATOM 64 CE2 PHE A 4 5.776 -4.298 -10.500 1.00 0.00 C ATOM 65 CZ PHE A 4 5.915 -3.205 -9.672 1.00 0.00 C ATOM 0 H PHE A 4 6.484 -6.623 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 4 4.432 -7.391 -7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.459 -7.210 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.504 -7.860 -8.959 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.682 -4.791 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.847 -6.423 -10.651 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.351 -2.527 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.523 -4.159 -11.541 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.768 -2.209 -10.063 1.00 0.00 H new ATOM 75 N VAL A 5 4.554 -9.841 -7.288 1.00 0.00 N ATOM 76 CA VAL A 5 4.535 -11.255 -6.980 1.00 0.00 C ATOM 77 C VAL A 5 4.128 -12.111 -8.193 1.00 0.00 C ATOM 78 O VAL A 5 3.261 -11.728 -8.980 1.00 0.00 O ATOM 79 CB VAL A 5 3.579 -11.522 -5.784 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.172 -11.053 -6.090 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.578 -12.978 -5.385 1.00 0.00 C ATOM 0 H VAL A 5 3.780 -9.519 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 5 5.550 -11.547 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 5 3.955 -10.945 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.527 -11.254 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.182 -9.982 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.793 -11.585 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.898 -13.125 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.251 -13.586 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.585 -13.276 -5.092 1.00 0.00 H new ATOM 91 N ARG A 6 4.796 -13.252 -8.351 1.00 0.00 N ATOM 92 CA ARG A 6 4.478 -14.206 -9.407 1.00 0.00 C ATOM 93 C ARG A 6 3.984 -15.494 -8.792 1.00 0.00 C ATOM 94 O ARG A 6 4.554 -15.979 -7.814 1.00 0.00 O ATOM 95 CB ARG A 6 5.704 -14.538 -10.273 1.00 0.00 C ATOM 96 CG ARG A 6 6.370 -13.360 -10.928 1.00 0.00 C ATOM 97 CD ARG A 6 7.177 -13.784 -12.150 1.00 0.00 C ATOM 98 NE ARG A 6 8.105 -14.886 -11.867 1.00 0.00 N ATOM 99 CZ ARG A 6 9.335 -14.988 -12.385 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.807 -14.038 -13.184 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 10.089 -16.042 -12.106 1.00 0.00 N ATOM 0 H ARG A 6 5.570 -13.539 -7.752 1.00 0.00 H new ATOM 0 HA ARG A 6 3.715 -13.747 -10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.439 -15.050 -9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.400 -15.240 -11.050 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.615 -12.632 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.026 -12.866 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.494 -14.086 -12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.740 -12.928 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 6 7.792 -15.622 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.232 -13.226 -13.406 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.745 -14.121 -13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.732 -16.777 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.026 -16.118 -12.502 1.00 0.00 H new ATOM 115 N PHE A 7 2.937 -16.051 -9.350 1.00 0.00 N ATOM 116 CA PHE A 7 2.446 -17.322 -8.881 1.00 0.00 C ATOM 117 C PHE A 7 2.936 -18.419 -9.820 1.00 0.00 C ATOM 118 O PHE A 7 3.080 -18.192 -11.019 1.00 0.00 O ATOM 119 CB PHE A 7 0.912 -17.322 -8.785 1.00 0.00 C ATOM 120 CG PHE A 7 0.355 -18.518 -8.064 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.420 -18.596 -6.684 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.224 -19.562 -8.763 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.080 -19.695 -6.016 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.727 -20.664 -8.101 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.653 -20.730 -6.725 1.00 0.00 C ATOM 0 H PHE A 7 2.411 -15.647 -10.125 1.00 0.00 H new ATOM 0 HA PHE A 7 2.830 -17.508 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.588 -16.416 -8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.493 -17.287 -9.791 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.867 -17.788 -6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.283 -19.514 -9.840 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.023 -19.745 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.177 -21.472 -8.659 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.043 -21.591 -6.203 1.00 0.00 H new ATOM 135 N ASN A 8 3.201 -19.593 -9.269 1.00 0.00 N ATOM 136 CA ASN A 8 3.718 -20.734 -10.040 1.00 0.00 C ATOM 137 C ASN A 8 2.825 -21.093 -11.243 1.00 0.00 C ATOM 138 O ASN A 8 3.299 -21.634 -12.237 1.00 0.00 O ATOM 139 CB ASN A 8 3.896 -21.948 -9.119 1.00 0.00 C ATOM 140 CG ASN A 8 4.475 -23.160 -9.827 1.00 0.00 C ATOM 141 OD1 ASN A 8 5.687 -23.290 -9.964 1.00 0.00 O ATOM 142 ND2 ASN A 8 3.615 -24.073 -10.241 1.00 0.00 N ATOM 0 H ASN A 8 3.067 -19.791 -8.277 1.00 0.00 H new ATOM 0 HA ASN A 8 4.685 -20.439 -10.448 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.549 -21.674 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.930 -22.214 -8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.952 -24.923 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.614 -23.928 -10.109 1.00 0.00 H new ATOM 149 N SER A 9 1.546 -20.780 -11.151 1.00 0.00 N ATOM 150 CA SER A 9 0.621 -21.072 -12.234 1.00 0.00 C ATOM 151 C SER A 9 0.042 -19.769 -12.817 1.00 0.00 C ATOM 152 O SER A 9 -1.056 -19.754 -13.375 1.00 0.00 O ATOM 153 CB SER A 9 -0.504 -21.997 -11.733 1.00 0.00 C ATOM 154 OG SER A 9 -1.240 -22.552 -12.814 1.00 0.00 O ATOM 0 H SER A 9 1.124 -20.325 -10.342 1.00 0.00 H new ATOM 0 HA SER A 9 1.162 -21.585 -13.029 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.076 -22.800 -11.132 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.176 -21.436 -11.084 1.00 0.00 H new ATOM 0 HG SER A 9 -1.468 -21.844 -13.452 1.00 0.00 H new ATOM 160 N SER A 10 0.799 -18.689 -12.700 1.00 0.00 N ATOM 161 CA SER A 10 0.369 -17.394 -13.204 1.00 0.00 C ATOM 162 C SER A 10 1.597 -16.568 -13.598 1.00 0.00 C ATOM 163 O SER A 10 2.707 -17.096 -13.685 1.00 0.00 O ATOM 164 CB SER A 10 -0.453 -16.661 -12.123 1.00 0.00 C ATOM 165 OG SER A 10 -1.110 -15.510 -12.640 1.00 0.00 O ATOM 0 H SER A 10 1.718 -18.684 -12.258 1.00 0.00 H new ATOM 0 HA SER A 10 -0.260 -17.532 -14.083 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.193 -17.344 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.205 -16.366 -11.306 1.00 0.00 H new ATOM 0 HG SER A 10 -1.620 -15.076 -11.925 1.00 0.00 H new ATOM 171 N HIS A 11 1.394 -15.297 -13.850 1.00 0.00 N ATOM 172 CA HIS A 11 2.483 -14.397 -14.184 1.00 0.00 C ATOM 173 C HIS A 11 2.702 -13.411 -13.050 1.00 0.00 C ATOM 174 O HIS A 11 2.153 -13.584 -11.960 1.00 0.00 O ATOM 175 CB HIS A 11 2.200 -13.657 -15.497 1.00 0.00 C ATOM 176 CG HIS A 11 2.397 -14.499 -16.722 1.00 0.00 C ATOM 177 ND1 HIS A 11 1.356 -15.181 -17.304 1.00 0.00 N ATOM 178 CD2 HIS A 11 3.525 -14.722 -17.433 1.00 0.00 C ATOM 179 CE1 HIS A 11 1.872 -15.799 -18.353 1.00 0.00 C ATOM 180 NE2 HIS A 11 3.183 -15.551 -18.471 1.00 0.00 N ATOM 0 H HIS A 11 0.475 -14.854 -13.831 1.00 0.00 H new ATOM 0 HA HIS A 11 3.391 -14.985 -14.322 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.174 -13.289 -15.482 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.851 -12.785 -15.559 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.507 -14.324 -17.224 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.308 -16.424 -19.029 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.807 -15.910 -19.194 1.00 0.00 H new ATOM 188 N GLY A 12 3.509 -12.396 -13.294 1.00 0.00 N ATOM 189 CA GLY A 12 3.768 -11.410 -12.277 1.00 0.00 C ATOM 190 C GLY A 12 2.687 -10.364 -12.203 1.00 0.00 C ATOM 191 O GLY A 12 2.296 -9.788 -13.222 1.00 0.00 O ATOM 0 H GLY A 12 3.989 -12.238 -14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.858 -11.905 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.724 -10.927 -12.478 1.00 0.00 H new ATOM 195 N PHE A 13 2.189 -10.136 -11.011 1.00 0.00 N ATOM 196 CA PHE A 13 1.173 -9.134 -10.782 1.00 0.00 C ATOM 197 C PHE A 13 1.462 -8.369 -9.493 1.00 0.00 C ATOM 198 O PHE A 13 2.025 -8.925 -8.548 1.00 0.00 O ATOM 199 CB PHE A 13 -0.238 -9.767 -10.757 1.00 0.00 C ATOM 200 CG PHE A 13 -0.376 -10.989 -9.880 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.611 -10.866 -8.522 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.285 -12.260 -10.425 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.751 -11.986 -7.724 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.422 -13.383 -9.631 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.655 -13.245 -8.278 1.00 0.00 C ATOM 0 H PHE A 13 2.476 -10.640 -10.172 1.00 0.00 H new ATOM 0 HA PHE A 13 1.197 -8.425 -11.610 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.951 -9.015 -10.420 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.517 -10.037 -11.776 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.686 -9.883 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.105 -12.374 -11.484 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.936 -11.875 -6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.347 -14.367 -10.069 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.762 -14.121 -7.655 1.00 0.00 H new ATOM 215 N PRO A 14 1.126 -7.078 -9.456 1.00 0.00 N ATOM 216 CA PRO A 14 1.347 -6.246 -8.285 1.00 0.00 C ATOM 217 C PRO A 14 0.244 -6.411 -7.234 1.00 0.00 C ATOM 218 O PRO A 14 -0.953 -6.382 -7.553 1.00 0.00 O ATOM 219 CB PRO A 14 1.341 -4.833 -8.864 1.00 0.00 C ATOM 220 CG PRO A 14 0.439 -4.906 -10.049 1.00 0.00 C ATOM 221 CD PRO A 14 0.518 -6.321 -10.568 1.00 0.00 C ATOM 0 HA PRO A 14 2.267 -6.504 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.977 -4.109 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.345 -4.520 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.584 -4.652 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.748 -4.195 -10.815 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.469 -6.708 -10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.126 -6.381 -11.471 1.00 0.00 H new ATOM 229 N VAL A 15 0.648 -6.595 -5.993 1.00 0.00 N ATOM 230 CA VAL A 15 -0.281 -6.740 -4.890 1.00 0.00 C ATOM 231 C VAL A 15 -0.011 -5.676 -3.829 1.00 0.00 C ATOM 232 O VAL A 15 1.086 -5.605 -3.270 1.00 0.00 O ATOM 233 CB VAL A 15 -0.209 -8.162 -4.253 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.024 -8.229 -2.968 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.713 -9.202 -5.239 1.00 0.00 C ATOM 0 H VAL A 15 1.630 -6.648 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.287 -6.607 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 15 0.833 -8.371 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.956 -9.232 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.634 -7.506 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.067 -7.997 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.658 -10.191 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.747 -8.981 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.096 -9.181 -6.137 1.00 0.00 H new ATOM 245 N GLU A 16 -1.002 -4.837 -3.576 1.00 0.00 N ATOM 246 CA GLU A 16 -0.870 -3.783 -2.589 1.00 0.00 C ATOM 247 C GLU A 16 -1.047 -4.351 -1.192 1.00 0.00 C ATOM 248 O GLU A 16 -1.987 -5.103 -0.935 1.00 0.00 O ATOM 249 CB GLU A 16 -1.890 -2.675 -2.839 1.00 0.00 C ATOM 250 CG GLU A 16 -1.733 -1.483 -1.911 1.00 0.00 C ATOM 251 CD GLU A 16 -2.822 -0.455 -2.092 1.00 0.00 C ATOM 252 OE1 GLU A 16 -2.624 0.493 -2.877 1.00 0.00 O ATOM 253 OE2 GLU A 16 -3.885 -0.591 -1.446 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.908 -4.867 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 16 0.129 -3.355 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.800 -2.336 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.894 -3.084 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.735 -1.830 -0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.765 -1.015 -2.088 1.00 0.00 H new ATOM 260 N VAL A 17 -0.152 -3.992 -0.303 1.00 0.00 N ATOM 261 CA VAL A 17 -0.186 -4.482 1.062 1.00 0.00 C ATOM 262 C VAL A 17 -0.096 -3.327 2.042 1.00 0.00 C ATOM 263 O VAL A 17 -0.026 -2.164 1.637 1.00 0.00 O ATOM 264 CB VAL A 17 0.978 -5.469 1.337 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.829 -6.724 0.492 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.326 -4.804 1.072 1.00 0.00 C ATOM 0 H VAL A 17 0.619 -3.354 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.132 -5.007 1.196 1.00 0.00 H new ATOM 0 HB VAL A 17 0.938 -5.755 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.656 -7.403 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.114 -7.215 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.838 -6.455 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.128 -5.515 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.375 -4.484 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.439 -3.938 1.724 1.00 0.00 H new ATOM 276 N ASP A 18 -0.100 -3.643 3.319 1.00 0.00 N ATOM 277 CA ASP A 18 0.022 -2.639 4.355 1.00 0.00 C ATOM 278 C ASP A 18 1.368 -2.773 5.036 1.00 0.00 C ATOM 279 O ASP A 18 2.057 -3.780 4.873 1.00 0.00 O ATOM 280 CB ASP A 18 -1.107 -2.766 5.392 1.00 0.00 C ATOM 281 CG ASP A 18 -2.451 -2.304 4.864 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.761 -1.099 4.984 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.209 -3.142 4.324 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.187 -4.598 3.668 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.058 -1.656 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.186 -3.806 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.849 -2.181 6.275 1.00 0.00 H new ATOM 288 N SER A 19 1.736 -1.776 5.810 1.00 0.00 N ATOM 289 CA SER A 19 3.007 -1.782 6.508 1.00 0.00 C ATOM 290 C SER A 19 3.004 -2.769 7.681 1.00 0.00 C ATOM 291 O SER A 19 4.014 -2.948 8.357 1.00 0.00 O ATOM 292 CB SER A 19 3.348 -0.371 6.985 1.00 0.00 C ATOM 293 OG SER A 19 2.243 0.231 7.648 1.00 0.00 O ATOM 0 H SER A 19 1.170 -0.944 5.974 1.00 0.00 H new ATOM 0 HA SER A 19 3.775 -2.115 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.203 -0.410 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.642 0.242 6.133 1.00 0.00 H new ATOM 0 HG SER A 19 2.490 1.132 7.944 1.00 0.00 H new ATOM 299 N ASP A 20 1.870 -3.406 7.915 1.00 0.00 N ATOM 300 CA ASP A 20 1.754 -4.372 8.996 1.00 0.00 C ATOM 301 C ASP A 20 1.365 -5.735 8.459 1.00 0.00 C ATOM 302 O ASP A 20 0.974 -6.627 9.216 1.00 0.00 O ATOM 303 CB ASP A 20 0.738 -3.905 10.040 1.00 0.00 C ATOM 304 CG ASP A 20 1.169 -2.640 10.751 1.00 0.00 C ATOM 305 OD1 ASP A 20 0.541 -1.581 10.527 1.00 0.00 O ATOM 306 OD2 ASP A 20 2.141 -2.692 11.530 1.00 0.00 O1- ATOM 0 H ASP A 20 1.017 -3.273 7.372 1.00 0.00 H new ATOM 0 HA ASP A 20 2.729 -4.453 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.223 -3.734 9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.588 -4.696 10.774 1.00 0.00 H new ATOM 311 N THR A 21 1.484 -5.902 7.154 1.00 0.00 N ATOM 312 CA THR A 21 1.155 -7.153 6.522 1.00 0.00 C ATOM 313 C THR A 21 2.286 -8.152 6.717 1.00 0.00 C ATOM 314 O THR A 21 3.409 -7.918 6.285 1.00 0.00 O ATOM 315 CB THR A 21 0.895 -6.958 5.011 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.149 -6.000 4.825 1.00 0.00 O ATOM 317 CG2 THR A 21 0.501 -8.273 4.347 1.00 0.00 C ATOM 0 H THR A 21 1.809 -5.178 6.513 1.00 0.00 H new ATOM 0 HA THR A 21 0.246 -7.536 6.986 1.00 0.00 H new ATOM 0 HB THR A 21 1.815 -6.601 4.549 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.819 -6.362 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.324 -8.105 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.305 -8.998 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.408 -8.656 4.810 1.00 0.00 H new ATOM 325 N SER A 22 1.998 -9.234 7.396 1.00 0.00 N ATOM 326 CA SER A 22 2.979 -10.270 7.597 1.00 0.00 C ATOM 327 C SER A 22 3.043 -11.145 6.352 1.00 0.00 C ATOM 328 O SER A 22 2.055 -11.256 5.621 1.00 0.00 O ATOM 329 CB SER A 22 2.606 -11.105 8.821 1.00 0.00 C ATOM 330 OG SER A 22 2.345 -10.272 9.941 1.00 0.00 O ATOM 0 H SER A 22 1.089 -9.420 7.820 1.00 0.00 H new ATOM 0 HA SER A 22 3.958 -9.824 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.727 -11.710 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.416 -11.795 9.057 1.00 0.00 H new ATOM 0 HG SER A 22 2.107 -10.827 10.713 1.00 0.00 H new ATOM 336 N ILE A 23 4.194 -11.758 6.102 1.00 0.00 N ATOM 337 CA ILE A 23 4.354 -12.622 4.932 1.00 0.00 C ATOM 338 C ILE A 23 3.351 -13.787 4.988 1.00 0.00 C ATOM 339 O ILE A 23 2.893 -14.281 3.956 1.00 0.00 O ATOM 340 CB ILE A 23 5.808 -13.157 4.806 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.804 -11.989 4.723 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.955 -14.066 3.587 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.636 -11.117 3.498 1.00 0.00 C ATOM 0 H ILE A 23 5.026 -11.676 6.687 1.00 0.00 H new ATOM 0 HA ILE A 23 4.150 -12.022 4.045 1.00 0.00 H new ATOM 0 HB ILE A 23 6.029 -13.745 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.696 -11.370 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.818 -12.389 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.982 -14.426 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.278 -14.915 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.710 -13.506 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.377 -10.317 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.775 -11.720 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.635 -10.685 3.494 1.00 0.00 H new ATOM 355 N PHE A 24 2.997 -14.193 6.208 1.00 0.00 N ATOM 356 CA PHE A 24 1.999 -15.236 6.419 1.00 0.00 C ATOM 357 C PHE A 24 0.657 -14.789 5.849 1.00 0.00 C ATOM 358 O PHE A 24 -0.028 -15.547 5.161 1.00 0.00 O ATOM 359 CB PHE A 24 1.847 -15.520 7.917 1.00 0.00 C ATOM 360 CG PHE A 24 0.990 -16.710 8.226 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.508 -17.987 8.138 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.331 -16.552 8.608 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.728 -19.085 8.424 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.116 -17.649 8.895 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.586 -18.917 8.802 1.00 0.00 C ATOM 0 H PHE A 24 3.391 -13.811 7.068 1.00 0.00 H new ATOM 0 HA PHE A 24 2.325 -16.144 5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.836 -15.674 8.350 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.421 -14.642 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.537 -18.126 7.841 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.751 -15.560 8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.146 -20.078 8.352 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.145 -17.514 9.192 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.199 -19.778 9.025 1.00 0.00 H new ATOM 375 N GLN A 25 0.303 -13.540 6.126 1.00 0.00 N ATOM 376 CA GLN A 25 -0.948 -12.980 5.655 1.00 0.00 C ATOM 377 C GLN A 25 -0.892 -12.736 4.166 1.00 0.00 C ATOM 378 O GLN A 25 -1.867 -12.955 3.463 1.00 0.00 O ATOM 379 CB GLN A 25 -1.280 -11.684 6.396 1.00 0.00 C ATOM 380 CG GLN A 25 -1.384 -11.857 7.902 1.00 0.00 C ATOM 381 CD GLN A 25 -2.367 -12.943 8.306 1.00 0.00 C ATOM 382 OE1 GLN A 25 -3.423 -13.113 7.532 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 -2.180 -13.612 9.320 1.00 0.00 N flip ATOM 0 H GLN A 25 0.871 -12.897 6.677 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.739 -13.701 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.513 -10.942 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.223 -11.290 6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.400 -12.097 8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.690 -10.912 8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.351 -13.450 9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.854 -14.329 9.589 1.00 0.00 H new ATOM 392 N LEU A 26 0.264 -12.288 3.687 1.00 0.00 N ATOM 393 CA LEU A 26 0.463 -12.064 2.262 1.00 0.00 C ATOM 394 C LEU A 26 0.246 -13.368 1.502 1.00 0.00 C ATOM 395 O LEU A 26 -0.351 -13.381 0.421 1.00 0.00 O ATOM 396 CB LEU A 26 1.865 -11.500 1.998 1.00 0.00 C ATOM 397 CG LEU A 26 2.242 -11.288 0.526 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.259 -10.347 -0.157 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.659 -10.749 0.417 1.00 0.00 C ATOM 0 H LEU A 26 1.076 -12.073 4.266 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.263 -11.331 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.953 -10.545 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.596 -12.174 2.445 1.00 0.00 H new ATOM 0 HG LEU A 26 2.195 -12.252 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.548 -10.213 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.256 -10.772 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.268 -9.382 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.913 -10.603 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.727 -9.796 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.354 -11.460 0.863 1.00 0.00 H new ATOM 411 N LYS A 27 0.726 -14.466 2.086 1.00 0.00 N ATOM 412 CA LYS A 27 0.517 -15.787 1.522 1.00 0.00 C ATOM 413 C LYS A 27 -0.974 -16.064 1.419 1.00 0.00 C ATOM 414 O LYS A 27 -1.474 -16.441 0.361 1.00 0.00 O ATOM 415 CB LYS A 27 1.167 -16.860 2.405 1.00 0.00 C ATOM 416 CG LYS A 27 0.907 -18.279 1.920 1.00 0.00 C ATOM 417 CD LYS A 27 1.298 -19.325 2.953 1.00 0.00 C ATOM 418 CE LYS A 27 2.795 -19.363 3.190 1.00 0.00 C ATOM 419 NZ LYS A 27 3.191 -20.549 3.993 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.264 -14.460 2.953 1.00 0.00 H new ATOM 0 HA LYS A 27 0.973 -15.818 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.243 -16.688 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.793 -16.758 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.150 -18.389 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.465 -18.454 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.788 -19.113 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.959 -20.306 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.315 -19.381 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.106 -18.454 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.092 -20.357 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.456 -20.750 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.302 -21.371 3.366 1.00 0.00 H new ATOM 433 N GLU A 28 -1.674 -15.858 2.534 1.00 0.00 N ATOM 434 CA GLU A 28 -3.107 -16.071 2.601 1.00 0.00 C ATOM 435 C GLU A 28 -3.848 -15.249 1.558 1.00 0.00 C ATOM 436 O GLU A 28 -4.665 -15.784 0.819 1.00 0.00 O ATOM 437 CB GLU A 28 -3.643 -15.732 3.986 1.00 0.00 C ATOM 438 CG GLU A 28 -3.466 -16.828 5.014 1.00 0.00 C ATOM 439 CD GLU A 28 -4.281 -16.562 6.259 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.513 -16.367 6.136 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.710 -16.555 7.367 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.259 -15.540 3.410 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.280 -17.127 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.144 -14.832 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.704 -15.497 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.763 -17.784 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.412 -16.911 5.280 1.00 0.00 H new ATOM 448 N VAL A 29 -3.554 -13.949 1.508 1.00 0.00 N ATOM 449 CA VAL A 29 -4.214 -13.035 0.572 1.00 0.00 C ATOM 450 C VAL A 29 -4.151 -13.561 -0.861 1.00 0.00 C ATOM 451 O VAL A 29 -5.178 -13.680 -1.526 1.00 0.00 O ATOM 452 CB VAL A 29 -3.596 -11.609 0.621 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.259 -10.696 -0.402 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.721 -11.013 2.014 1.00 0.00 C ATOM 0 H VAL A 29 -2.860 -13.503 2.107 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.256 -12.975 0.886 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.538 -11.695 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.810 -9.704 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.117 -11.106 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.325 -10.624 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.282 -10.015 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.774 -10.949 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.197 -11.647 2.729 1.00 0.00 H new ATOM 464 N VAL A 30 -2.954 -13.893 -1.319 1.00 0.00 N ATOM 465 CA VAL A 30 -2.776 -14.402 -2.671 1.00 0.00 C ATOM 466 C VAL A 30 -3.442 -15.772 -2.826 1.00 0.00 C ATOM 467 O VAL A 30 -4.139 -16.028 -3.812 1.00 0.00 O ATOM 468 CB VAL A 30 -1.277 -14.507 -3.046 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.106 -15.035 -4.466 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.594 -13.153 -2.897 1.00 0.00 C ATOM 0 H VAL A 30 -2.093 -13.820 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.251 -13.693 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.806 -15.213 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.044 -15.099 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.556 -16.025 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.595 -14.359 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.459 -13.245 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.074 -12.429 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.678 -12.815 -1.864 1.00 0.00 H new ATOM 480 N ALA A 31 -3.250 -16.627 -1.831 1.00 0.00 N ATOM 481 CA ALA A 31 -3.795 -17.978 -1.850 1.00 0.00 C ATOM 482 C ALA A 31 -5.309 -17.980 -1.991 1.00 0.00 C ATOM 483 O ALA A 31 -5.854 -18.589 -2.911 1.00 0.00 O ATOM 484 CB ALA A 31 -3.396 -18.726 -0.597 1.00 0.00 C ATOM 0 H ALA A 31 -2.715 -16.406 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.378 -18.481 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.811 -19.733 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.309 -18.783 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.780 -18.201 0.278 1.00 0.00 H new ATOM 490 N LYS A 32 -5.979 -17.288 -1.087 1.00 0.00 N ATOM 491 CA LYS A 32 -7.435 -17.243 -1.077 1.00 0.00 C ATOM 492 C LYS A 32 -7.970 -16.515 -2.306 1.00 0.00 C ATOM 493 O LYS A 32 -9.036 -16.852 -2.821 1.00 0.00 O ATOM 494 CB LYS A 32 -7.942 -16.577 0.208 1.00 0.00 C ATOM 495 CG LYS A 32 -7.588 -15.104 0.329 1.00 0.00 C ATOM 496 CD LYS A 32 -7.950 -14.547 1.694 1.00 0.00 C ATOM 497 CE LYS A 32 -7.164 -15.240 2.811 1.00 0.00 C ATOM 498 NZ LYS A 32 -7.384 -14.608 4.143 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.537 -16.745 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.805 -18.268 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.026 -16.684 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.531 -17.109 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.520 -14.971 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.110 -14.540 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.748 -13.476 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.019 -14.673 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.455 -16.289 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.101 -15.215 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.817 -15.104 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.098 -13.609 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.391 -14.670 4.395 1.00 0.00 H new ATOM 512 N ARG A 33 -7.215 -15.530 -2.782 1.00 0.00 N ATOM 513 CA ARG A 33 -7.617 -14.759 -3.943 1.00 0.00 C ATOM 514 C ARG A 33 -7.647 -15.641 -5.189 1.00 0.00 C ATOM 515 O ARG A 33 -8.600 -15.617 -5.963 1.00 0.00 O ATOM 516 CB ARG A 33 -6.654 -13.589 -4.168 1.00 0.00 C ATOM 517 CG ARG A 33 -7.058 -12.661 -5.305 1.00 0.00 C ATOM 518 CD ARG A 33 -6.089 -11.498 -5.447 1.00 0.00 C ATOM 519 NE ARG A 33 -6.101 -10.618 -4.271 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.340 -9.526 -4.138 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.495 -9.178 -5.099 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.429 -8.788 -3.041 1.00 0.00 N ATOM 0 H ARG A 33 -6.321 -15.250 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.618 -14.369 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.583 -13.009 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.659 -13.985 -4.373 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.094 -13.222 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.063 -12.279 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.081 -11.884 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.346 -10.919 -6.334 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.731 -10.855 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.423 -9.744 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.917 -8.344 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.077 -9.053 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.849 -7.955 -2.938 1.00 0.00 H new ATOM 536 N GLN A 34 -6.592 -16.418 -5.366 1.00 0.00 N ATOM 537 CA GLN A 34 -6.457 -17.294 -6.521 1.00 0.00 C ATOM 538 C GLN A 34 -7.285 -18.570 -6.349 1.00 0.00 C ATOM 539 O GLN A 34 -7.773 -19.143 -7.325 1.00 0.00 O ATOM 540 CB GLN A 34 -4.982 -17.635 -6.733 1.00 0.00 C ATOM 541 CG GLN A 34 -4.114 -16.414 -7.020 1.00 0.00 C ATOM 542 CD GLN A 34 -4.215 -15.939 -8.458 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.449 -16.367 -9.316 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.159 -15.057 -8.728 1.00 0.00 N ATOM 0 H GLN A 34 -5.807 -16.461 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.837 -16.773 -7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.602 -18.141 -5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.894 -18.337 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.407 -15.602 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.075 -16.653 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.775 -14.726 -7.986 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.272 -14.706 -9.679 1.00 0.00 H new ATOM 553 N GLY A 35 -7.444 -19.002 -5.109 1.00 0.00 N ATOM 554 CA GLY A 35 -8.223 -20.192 -4.833 1.00 0.00 C ATOM 555 C GLY A 35 -7.357 -21.403 -4.580 1.00 0.00 C ATOM 556 O GLY A 35 -7.723 -22.529 -4.930 1.00 0.00 O ATOM 0 H GLY A 35 -7.047 -18.549 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.857 -20.014 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.885 -20.392 -5.675 1.00 0.00 H new ATOM 560 N VAL A 36 -6.210 -21.179 -3.969 1.00 0.00 N ATOM 561 CA VAL A 36 -5.280 -22.253 -3.675 1.00 0.00 C ATOM 562 C VAL A 36 -5.116 -22.416 -2.158 1.00 0.00 C ATOM 563 O VAL A 36 -5.521 -21.533 -1.389 1.00 0.00 O ATOM 564 CB VAL A 36 -3.900 -22.009 -4.346 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.052 -21.933 -5.858 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.249 -20.745 -3.811 1.00 0.00 C ATOM 0 H VAL A 36 -5.898 -20.257 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.692 -23.174 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.251 -22.850 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.077 -21.762 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.467 -22.870 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.722 -21.113 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.285 -20.598 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.893 -19.890 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.102 -20.839 -2.735 1.00 0.00 H new ATOM 576 N PRO A 37 -4.542 -23.546 -1.700 1.00 0.00 N ATOM 577 CA PRO A 37 -4.355 -23.811 -0.284 1.00 0.00 C ATOM 578 C PRO A 37 -3.127 -23.099 0.279 1.00 0.00 C ATOM 579 O PRO A 37 -1.993 -23.425 -0.073 1.00 0.00 O ATOM 580 CB PRO A 37 -4.157 -25.342 -0.214 1.00 0.00 C ATOM 581 CG PRO A 37 -4.233 -25.837 -1.630 1.00 0.00 C ATOM 582 CD PRO A 37 -4.040 -24.646 -2.518 1.00 0.00 C ATOM 0 HA PRO A 37 -5.199 -23.452 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.195 -25.590 0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.926 -25.807 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.465 -26.588 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.196 -26.310 -1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.992 -24.506 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.596 -24.743 -3.451 1.00 0.00 H new ATOM 590 N ALA A 38 -3.364 -22.133 1.158 1.00 0.00 N ATOM 591 CA ALA A 38 -2.285 -21.385 1.795 1.00 0.00 C ATOM 592 C ALA A 38 -1.511 -22.273 2.755 1.00 0.00 C ATOM 593 O ALA A 38 -0.351 -22.012 3.068 1.00 0.00 O ATOM 594 CB ALA A 38 -2.845 -20.177 2.532 1.00 0.00 C ATOM 0 H ALA A 38 -4.299 -21.847 1.448 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.602 -21.039 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.030 -19.628 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.360 -19.526 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.547 -20.510 3.297 1.00 0.00 H new ATOM 600 N ASP A 39 -2.165 -23.333 3.206 1.00 0.00 N ATOM 601 CA ASP A 39 -1.575 -24.280 4.146 1.00 0.00 C ATOM 602 C ASP A 39 -0.353 -24.958 3.539 1.00 0.00 C ATOM 603 O ASP A 39 0.635 -25.212 4.223 1.00 0.00 O ATOM 604 CB ASP A 39 -2.608 -25.339 4.549 1.00 0.00 C ATOM 605 CG ASP A 39 -3.892 -24.731 5.075 1.00 0.00 C ATOM 606 OD1 ASP A 39 -4.872 -24.626 4.299 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.934 -24.344 6.261 1.00 0.00 O1- ATOM 0 H ASP A 39 -3.120 -23.563 2.932 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.261 -23.727 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.834 -25.967 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.179 -25.988 5.312 1.00 0.00 H new ATOM 612 N GLN A 40 -0.423 -25.234 2.250 1.00 0.00 N ATOM 613 CA GLN A 40 0.665 -25.895 1.545 1.00 0.00 C ATOM 614 C GLN A 40 1.276 -24.970 0.499 1.00 0.00 C ATOM 615 O GLN A 40 1.889 -25.419 -0.473 1.00 0.00 O ATOM 616 CB GLN A 40 0.164 -27.180 0.889 1.00 0.00 C ATOM 617 CG GLN A 40 -0.173 -28.293 1.874 1.00 0.00 C ATOM 618 CD GLN A 40 1.021 -28.721 2.715 1.00 0.00 C ATOM 619 OE1 GLN A 40 2.174 -28.629 2.286 1.00 0.00 O ATOM 620 NE2 GLN A 40 0.753 -29.202 3.912 1.00 0.00 N ATOM 0 H GLN A 40 -1.227 -25.010 1.664 1.00 0.00 H new ATOM 0 HA GLN A 40 1.439 -26.147 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.723 -26.951 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.924 -27.541 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.974 -27.958 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.552 -29.155 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.213 -29.263 4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.512 -29.514 4.518 1.00 0.00 H new ATOM 629 N LEU A 41 1.116 -23.681 0.706 1.00 0.00 N ATOM 630 CA LEU A 41 1.654 -22.697 -0.208 1.00 0.00 C ATOM 631 C LEU A 41 3.004 -22.205 0.305 1.00 0.00 C ATOM 632 O LEU A 41 3.164 -21.952 1.500 1.00 0.00 O ATOM 633 CB LEU A 41 0.677 -21.528 -0.354 1.00 0.00 C ATOM 634 CG LEU A 41 0.969 -20.553 -1.486 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.908 -21.265 -2.824 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.012 -19.397 -1.459 1.00 0.00 C ATOM 0 H LEU A 41 0.615 -23.289 1.503 1.00 0.00 H new ATOM 0 HA LEU A 41 1.795 -23.153 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.325 -21.933 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.663 -20.972 0.584 1.00 0.00 H new ATOM 0 HG LEU A 41 1.974 -20.155 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.119 -20.555 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.648 -22.065 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.087 -21.687 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.212 -18.710 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.027 -19.778 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.072 -18.870 -0.508 1.00 0.00 H new ATOM 648 N ARG A 42 3.969 -22.072 -0.587 1.00 0.00 N ATOM 649 CA ARG A 42 5.301 -21.652 -0.195 1.00 0.00 C ATOM 650 C ARG A 42 5.701 -20.354 -0.882 1.00 0.00 C ATOM 651 O ARG A 42 5.473 -20.178 -2.079 1.00 0.00 O ATOM 652 CB ARG A 42 6.325 -22.747 -0.524 1.00 0.00 C ATOM 653 CG ARG A 42 7.749 -22.410 -0.095 1.00 0.00 C ATOM 654 CD ARG A 42 7.852 -22.294 1.416 1.00 0.00 C ATOM 655 NE ARG A 42 7.560 -23.574 2.071 1.00 0.00 N ATOM 656 CZ ARG A 42 7.043 -23.715 3.297 1.00 0.00 C ATOM 657 NH1 ARG A 42 6.773 -22.651 4.044 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 6.810 -24.932 3.772 1.00 0.00 N ATOM 0 H ARG A 42 3.855 -22.248 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 42 5.288 -21.479 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.020 -23.674 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.313 -22.931 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.432 -23.182 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.059 -21.473 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.854 -21.963 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.157 -21.534 1.773 1.00 0.00 H new ATOM 0 HE ARG A 42 7.768 -24.425 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.960 -21.715 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.379 -22.770 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.025 -25.751 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.416 -25.048 4.706 1.00 0.00 H new ATOM 672 N VAL A 43 6.291 -19.447 -0.119 1.00 0.00 N ATOM 673 CA VAL A 43 6.766 -18.197 -0.670 1.00 0.00 C ATOM 674 C VAL A 43 8.293 -18.208 -0.771 1.00 0.00 C ATOM 675 O VAL A 43 8.987 -18.592 0.175 1.00 0.00 O ATOM 676 CB VAL A 43 6.289 -16.968 0.156 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.770 -16.908 0.202 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.862 -16.992 1.567 1.00 0.00 C ATOM 0 H VAL A 43 6.450 -19.557 0.882 1.00 0.00 H new ATOM 0 HA VAL A 43 6.338 -18.101 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 43 6.659 -16.072 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.458 -16.041 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.378 -16.824 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.384 -17.815 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.510 -16.120 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.536 -17.899 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.951 -16.974 1.518 1.00 0.00 H new ATOM 688 N ILE A 44 8.803 -17.817 -1.921 1.00 0.00 N ATOM 689 CA ILE A 44 10.234 -17.796 -2.164 1.00 0.00 C ATOM 690 C ILE A 44 10.665 -16.432 -2.696 1.00 0.00 C ATOM 691 O ILE A 44 10.039 -15.879 -3.602 1.00 0.00 O ATOM 692 CB ILE A 44 10.653 -18.898 -3.186 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.302 -20.302 -2.662 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.143 -18.807 -3.511 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.050 -20.700 -1.401 1.00 0.00 C ATOM 0 H ILE A 44 8.240 -17.505 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 44 10.729 -17.993 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 44 10.091 -18.726 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.231 -20.347 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.514 -21.033 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.408 -19.586 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.362 -17.830 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.723 -18.939 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.745 -21.702 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.122 -20.690 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.820 -19.994 -0.603 1.00 0.00 H new ATOM 707 N PHE A 45 11.713 -15.891 -2.120 1.00 0.00 N ATOM 708 CA PHE A 45 12.258 -14.628 -2.564 1.00 0.00 C ATOM 709 C PHE A 45 13.771 -14.676 -2.489 1.00 0.00 C ATOM 710 O PHE A 45 14.331 -15.053 -1.462 1.00 0.00 O ATOM 711 CB PHE A 45 11.717 -13.471 -1.720 1.00 0.00 C ATOM 712 CG PHE A 45 12.198 -12.121 -2.173 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.634 -11.509 -3.279 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.215 -11.467 -1.496 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.074 -10.273 -3.703 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.658 -10.231 -1.916 1.00 0.00 C ATOM 717 CZ PHE A 45 13.087 -9.633 -3.020 1.00 0.00 C ATOM 0 H PHE A 45 12.210 -16.311 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 45 11.953 -14.458 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.628 -13.488 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 45 12.010 -13.622 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.840 -12.006 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.665 -11.930 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.626 -9.807 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.452 -9.731 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.433 -8.664 -3.349 1.00 0.00 H new ATOM 727 N ALA A 46 14.425 -14.325 -3.593 1.00 0.00 N ATOM 728 CA ALA A 46 15.889 -14.331 -3.690 1.00 0.00 C ATOM 729 C ALA A 46 16.454 -15.743 -3.523 1.00 0.00 C ATOM 730 O ALA A 46 17.647 -15.922 -3.285 1.00 0.00 O ATOM 731 CB ALA A 46 16.508 -13.375 -2.670 1.00 0.00 C ATOM 0 H ALA A 46 13.957 -14.027 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 46 16.154 -13.983 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.594 -13.398 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.149 -12.363 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.223 -13.682 -1.664 1.00 0.00 H new ATOM 737 N GLY A 47 15.594 -16.740 -3.674 1.00 0.00 N ATOM 738 CA GLY A 47 16.022 -18.117 -3.537 1.00 0.00 C ATOM 739 C GLY A 47 15.906 -18.630 -2.113 1.00 0.00 C ATOM 740 O GLY A 47 16.377 -19.726 -1.803 1.00 0.00 O ATOM 0 H GLY A 47 14.604 -16.619 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.423 -18.746 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.057 -18.206 -3.867 1.00 0.00 H new ATOM 744 N LYS A 48 15.285 -17.846 -1.243 1.00 0.00 N ATOM 745 CA LYS A 48 15.117 -18.246 0.146 1.00 0.00 C ATOM 746 C LYS A 48 13.703 -17.958 0.639 1.00 0.00 C ATOM 747 O LYS A 48 12.915 -17.300 -0.045 1.00 0.00 O ATOM 748 CB LYS A 48 16.181 -17.578 1.048 1.00 0.00 C ATOM 749 CG LYS A 48 16.301 -16.056 0.910 1.00 0.00 C ATOM 750 CD LYS A 48 15.172 -15.321 1.621 1.00 0.00 C ATOM 751 CE LYS A 48 15.303 -13.815 1.459 1.00 0.00 C ATOM 752 NZ LYS A 48 16.552 -13.297 2.067 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.891 -16.934 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 48 15.266 -19.324 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.951 -17.814 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.151 -18.023 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.258 -15.731 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.298 -15.788 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.213 -15.650 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.180 -15.577 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.284 -13.561 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.445 -13.325 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.509 -12.259 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.659 -13.686 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.366 -13.582 1.485 1.00 0.00 H new ATOM 766 N GLU A 49 13.392 -18.456 1.822 1.00 0.00 N ATOM 767 CA GLU A 49 12.074 -18.281 2.413 1.00 0.00 C ATOM 768 C GLU A 49 12.024 -17.031 3.283 1.00 0.00 C ATOM 769 O GLU A 49 13.033 -16.623 3.865 1.00 0.00 O ATOM 770 CB GLU A 49 11.708 -19.508 3.240 1.00 0.00 C ATOM 771 CG GLU A 49 11.565 -20.775 2.416 1.00 0.00 C ATOM 772 CD GLU A 49 11.361 -22.000 3.269 1.00 0.00 C ATOM 773 OE1 GLU A 49 12.251 -22.876 3.277 1.00 0.00 O ATOM 774 OE2 GLU A 49 10.318 -22.093 3.943 1.00 0.00 O1- ATOM 0 H GLU A 49 14.041 -18.991 2.399 1.00 0.00 H new ATOM 0 HA GLU A 49 11.352 -18.161 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.472 -19.664 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.771 -19.317 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.722 -20.667 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.456 -20.908 1.803 1.00 0.00 H new ATOM 781 N LEU A 50 10.850 -16.429 3.368 1.00 0.00 N ATOM 782 CA LEU A 50 10.664 -15.217 4.151 1.00 0.00 C ATOM 783 C LEU A 50 9.994 -15.525 5.482 1.00 0.00 C ATOM 784 O LEU A 50 9.174 -16.444 5.573 1.00 0.00 O ATOM 785 CB LEU A 50 9.809 -14.206 3.383 1.00 0.00 C ATOM 786 CG LEU A 50 10.340 -13.766 2.022 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.405 -12.749 1.389 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.746 -13.199 2.148 1.00 0.00 C ATOM 0 H LEU A 50 10.006 -16.761 2.902 1.00 0.00 H new ATOM 0 HA LEU A 50 11.650 -14.792 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.817 -14.635 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.686 -13.319 4.005 1.00 0.00 H new ATOM 0 HG LEU A 50 10.385 -14.641 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.799 -12.446 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.419 -13.194 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.325 -11.876 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.104 -12.892 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.732 -12.337 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.411 -13.961 2.554 1.00 0.00 H new ATOM 800 N ARG A 51 10.358 -14.762 6.506 1.00 0.00 N ATOM 801 CA ARG A 51 9.737 -14.886 7.824 1.00 0.00 C ATOM 802 C ARG A 51 8.235 -14.574 7.730 1.00 0.00 C ATOM 803 O ARG A 51 7.842 -13.483 7.322 1.00 0.00 O ATOM 804 CB ARG A 51 10.426 -13.955 8.847 1.00 0.00 C ATOM 805 CG ARG A 51 10.548 -12.497 8.403 1.00 0.00 C ATOM 806 CD ARG A 51 11.910 -12.192 7.788 1.00 0.00 C ATOM 807 NE ARG A 51 12.974 -12.194 8.795 1.00 0.00 N ATOM 808 CZ ARG A 51 14.261 -11.933 8.545 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.674 -11.696 7.303 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.133 -11.917 9.546 1.00 0.00 N ATOM 0 H ARG A 51 11.083 -14.047 6.450 1.00 0.00 H new ATOM 0 HA ARG A 51 9.860 -15.912 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.868 -13.990 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.423 -14.342 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.766 -12.274 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.384 -11.843 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.136 -12.931 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.877 -11.220 7.296 1.00 0.00 H new ATOM 0 HE ARG A 51 12.714 -12.410 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.007 -11.712 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.658 -11.498 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.819 -12.103 10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.117 -11.719 9.362 1.00 0.00 H new ATOM 824 N ASN A 52 7.408 -15.531 8.118 1.00 0.00 N ATOM 825 CA ASN A 52 5.959 -15.402 7.959 1.00 0.00 C ATOM 826 C ASN A 52 5.318 -14.507 9.018 1.00 0.00 C ATOM 827 O ASN A 52 4.339 -13.813 8.740 1.00 0.00 O ATOM 828 CB ASN A 52 5.274 -16.788 7.952 1.00 0.00 C ATOM 829 CG ASN A 52 5.138 -17.414 9.335 1.00 0.00 C ATOM 830 OD1 ASN A 52 4.154 -17.184 10.038 1.00 0.00 O ATOM 831 ND2 ASN A 52 6.106 -18.220 9.721 1.00 0.00 N ATOM 0 H ASN A 52 7.710 -16.407 8.545 1.00 0.00 H new ATOM 0 HA ASN A 52 5.805 -14.919 6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.283 -16.691 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.845 -17.462 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.056 -18.678 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.906 -18.386 9.110 1.00 0.00 H new ATOM 838 N ASP A 53 5.883 -14.494 10.213 1.00 0.00 N ATOM 839 CA ASP A 53 5.277 -13.766 11.335 1.00 0.00 C ATOM 840 C ASP A 53 5.676 -12.298 11.361 1.00 0.00 C ATOM 841 O ASP A 53 5.116 -11.513 12.128 1.00 0.00 O ATOM 842 CB ASP A 53 5.665 -14.415 12.670 1.00 0.00 C ATOM 843 CG ASP A 53 7.120 -14.171 13.038 1.00 0.00 C ATOM 844 OD1 ASP A 53 7.998 -14.880 12.509 1.00 0.00 O ATOM 845 OD2 ASP A 53 7.393 -13.267 13.861 1.00 0.00 O1- ATOM 0 H ASP A 53 6.755 -14.973 10.439 1.00 0.00 H new ATOM 0 HA ASP A 53 4.198 -13.820 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.024 -14.024 13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.483 -15.488 12.614 1.00 0.00 H new ATOM 850 N TRP A 54 6.620 -11.919 10.534 1.00 0.00 N ATOM 851 CA TRP A 54 7.122 -10.568 10.570 1.00 0.00 C ATOM 852 C TRP A 54 6.494 -9.700 9.471 1.00 0.00 C ATOM 853 O TRP A 54 5.785 -10.205 8.598 1.00 0.00 O ATOM 854 CB TRP A 54 8.629 -10.598 10.459 1.00 0.00 C ATOM 855 CG TRP A 54 9.296 -9.401 11.029 1.00 0.00 C ATOM 856 CD1 TRP A 54 9.038 -8.810 12.231 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.342 -8.662 10.432 1.00 0.00 C ATOM 858 NE1 TRP A 54 9.860 -7.733 12.406 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.675 -7.622 11.315 1.00 0.00 C ATOM 860 CE3 TRP A 54 11.029 -8.777 9.230 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.667 -6.704 11.031 1.00 0.00 C ATOM 862 CZ3 TRP A 54 12.017 -7.864 8.947 1.00 0.00 C ATOM 863 CH2 TRP A 54 12.326 -6.839 9.848 1.00 0.00 C ATOM 0 H TRP A 54 7.053 -12.521 9.834 1.00 0.00 H new ATOM 0 HA TRP A 54 6.842 -10.112 11.520 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.004 -11.487 10.966 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.905 -10.690 9.409 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.294 -9.144 12.939 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.865 -7.114 13.217 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.792 -9.567 8.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.910 -5.910 11.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 12.562 -7.939 8.017 1.00 0.00 H new ATOM 0 HH2 TRP A 54 13.108 -6.137 9.598 1.00 0.00 H new ATOM 874 N THR A 55 6.766 -8.395 9.525 1.00 0.00 N ATOM 875 CA THR A 55 6.181 -7.435 8.599 1.00 0.00 C ATOM 876 C THR A 55 6.906 -7.400 7.253 1.00 0.00 C ATOM 877 O THR A 55 8.137 -7.458 7.185 1.00 0.00 O ATOM 878 CB THR A 55 6.164 -6.006 9.209 1.00 0.00 C ATOM 879 OG1 THR A 55 5.675 -5.065 8.243 1.00 0.00 O ATOM 880 CG2 THR A 55 7.561 -5.585 9.673 1.00 0.00 C ATOM 0 H THR A 55 7.396 -7.979 10.211 1.00 0.00 H new ATOM 0 HA THR A 55 5.159 -7.770 8.424 1.00 0.00 H new ATOM 0 HB THR A 55 5.503 -6.019 10.075 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.074 -4.428 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.517 -4.581 10.095 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.918 -6.282 10.431 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.244 -5.592 8.824 1.00 0.00 H new ATOM 888 N VAL A 56 6.121 -7.285 6.185 1.00 0.00 N ATOM 889 CA VAL A 56 6.646 -7.203 4.831 1.00 0.00 C ATOM 890 C VAL A 56 7.223 -5.807 4.557 1.00 0.00 C ATOM 891 O VAL A 56 7.999 -5.613 3.613 1.00 0.00 O ATOM 892 CB VAL A 56 5.537 -7.519 3.780 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.452 -6.454 3.779 1.00 0.00 C ATOM 894 CG2 VAL A 56 6.131 -7.680 2.391 1.00 0.00 C ATOM 0 H VAL A 56 5.103 -7.246 6.237 1.00 0.00 H new ATOM 0 HA VAL A 56 7.440 -7.945 4.741 1.00 0.00 H new ATOM 0 HB VAL A 56 5.077 -8.465 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.696 -6.706 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.989 -6.405 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.892 -5.487 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.336 -7.900 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.633 -6.757 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.850 -8.499 2.396 1.00 0.00 H new ATOM 904 N GLN A 57 6.858 -4.845 5.402 1.00 0.00 N ATOM 905 CA GLN A 57 7.296 -3.463 5.237 1.00 0.00 C ATOM 906 C GLN A 57 8.817 -3.370 5.281 1.00 0.00 C ATOM 907 O GLN A 57 9.432 -2.683 4.460 1.00 0.00 O ATOM 908 CB GLN A 57 6.663 -2.573 6.325 1.00 0.00 C ATOM 909 CG GLN A 57 6.853 -1.064 6.125 1.00 0.00 C ATOM 910 CD GLN A 57 8.226 -0.559 6.542 1.00 0.00 C ATOM 911 OE1 GLN A 57 8.859 -1.106 7.447 1.00 0.00 O ATOM 912 NE2 GLN A 57 8.692 0.486 5.887 1.00 0.00 N ATOM 0 H GLN A 57 6.257 -5.000 6.211 1.00 0.00 H new ATOM 0 HA GLN A 57 6.966 -3.107 4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.595 -2.786 6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.085 -2.851 7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.691 -0.823 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.092 -0.532 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.137 0.911 5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.607 0.870 6.123 1.00 0.00 H new ATOM 921 N ASN A 58 9.418 -4.074 6.226 1.00 0.00 N ATOM 922 CA ASN A 58 10.864 -4.044 6.382 1.00 0.00 C ATOM 923 C ASN A 58 11.529 -5.024 5.419 1.00 0.00 C ATOM 924 O ASN A 58 12.725 -4.918 5.134 1.00 0.00 O ATOM 925 CB ASN A 58 11.261 -4.364 7.824 1.00 0.00 C ATOM 926 CG ASN A 58 12.684 -3.927 8.154 1.00 0.00 C ATOM 927 OD1 ASN A 58 13.649 -4.802 7.931 1.00 0.00 O flip ATOM 928 ND2 ASN A 58 12.910 -2.807 8.610 1.00 0.00 N flip ATOM 0 H ASN A 58 8.930 -4.671 6.894 1.00 0.00 H new ATOM 0 HA ASN A 58 11.209 -3.037 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.567 -3.872 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.166 -5.437 7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.141 -2.157 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.867 -2.529 8.828 1.00 0.00 H new ATOM 935 N CYS A 59 10.754 -5.983 4.926 1.00 0.00 N ATOM 936 CA CYS A 59 11.259 -6.948 3.965 1.00 0.00 C ATOM 937 C CYS A 59 11.442 -6.281 2.618 1.00 0.00 C ATOM 938 O CYS A 59 12.392 -6.569 1.899 1.00 0.00 O ATOM 939 CB CYS A 59 10.306 -8.139 3.839 1.00 0.00 C ATOM 940 SG CYS A 59 10.092 -9.080 5.366 1.00 0.00 S ATOM 0 H CYS A 59 9.774 -6.111 5.178 1.00 0.00 H new ATOM 0 HA CYS A 59 12.222 -7.318 4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.332 -7.778 3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.678 -8.807 3.063 1.00 0.00 H new ATOM 0 HG CYS A 59 9.285 -8.441 6.160 1.00 0.00 H new ATOM 946 N ASP A 60 10.519 -5.377 2.302 1.00 0.00 N ATOM 947 CA ASP A 60 10.538 -4.617 1.054 1.00 0.00 C ATOM 948 C ASP A 60 10.461 -5.522 -0.163 1.00 0.00 C ATOM 949 O ASP A 60 11.465 -6.006 -0.667 1.00 0.00 O ATOM 950 CB ASP A 60 11.762 -3.691 0.967 1.00 0.00 C ATOM 951 CG ASP A 60 11.808 -2.889 -0.329 1.00 0.00 C ATOM 952 OD1 ASP A 60 10.741 -2.719 -0.982 1.00 0.00 O ATOM 953 OD2 ASP A 60 12.906 -2.400 -0.687 1.00 0.00 O1- ATOM 0 H ASP A 60 9.731 -5.149 2.908 1.00 0.00 H new ATOM 0 HA ASP A 60 9.646 -3.991 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.753 -3.004 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.670 -4.288 1.051 1.00 0.00 H new ATOM 958 N LEU A 61 9.262 -5.770 -0.599 1.00 0.00 N ATOM 959 CA LEU A 61 9.033 -6.538 -1.805 1.00 0.00 C ATOM 960 C LEU A 61 8.413 -5.613 -2.837 1.00 0.00 C ATOM 961 O LEU A 61 7.910 -6.038 -3.877 1.00 0.00 O ATOM 962 CB LEU A 61 8.118 -7.733 -1.504 1.00 0.00 C ATOM 963 CG LEU A 61 8.597 -8.673 -0.384 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.584 -9.775 -0.127 1.00 0.00 C ATOM 965 CD2 LEU A 61 9.959 -9.266 -0.718 1.00 0.00 C ATOM 0 H LEU A 61 8.411 -5.450 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 61 9.970 -6.938 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.131 -7.354 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.000 -8.316 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 61 8.695 -8.083 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.947 -10.425 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.633 -9.333 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.443 -10.359 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.276 -9.927 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.891 -9.833 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.686 -8.463 -0.836 1.00 0.00 H new ATOM 977 N ASP A 62 8.476 -4.332 -2.515 1.00 0.00 N ATOM 978 CA ASP A 62 7.919 -3.266 -3.328 1.00 0.00 C ATOM 979 C ASP A 62 8.970 -2.699 -4.267 1.00 0.00 C ATOM 980 O ASP A 62 8.719 -2.517 -5.455 1.00 0.00 O ATOM 981 CB ASP A 62 7.390 -2.155 -2.402 1.00 0.00 C ATOM 982 CG ASP A 62 6.944 -0.898 -3.137 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.809 -0.077 -3.503 1.00 0.00 O ATOM 984 OD2 ASP A 62 5.731 -0.707 -3.312 1.00 0.00 O1- ATOM 0 H ASP A 62 8.926 -3.998 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 62 7.105 -3.667 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.550 -2.545 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.170 -1.889 -1.688 1.00 0.00 H new ATOM 989 N GLN A 63 10.150 -2.437 -3.732 1.00 0.00 N ATOM 990 CA GLN A 63 11.214 -1.824 -4.516 1.00 0.00 C ATOM 991 C GLN A 63 12.241 -2.861 -4.975 1.00 0.00 C ATOM 992 O GLN A 63 13.014 -2.618 -5.904 1.00 0.00 O ATOM 993 CB GLN A 63 11.891 -0.710 -3.702 1.00 0.00 C ATOM 994 CG GLN A 63 12.948 0.070 -4.468 1.00 0.00 C ATOM 995 CD GLN A 63 13.537 1.208 -3.662 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.047 2.340 -3.709 1.00 0.00 O ATOM 997 NE2 GLN A 63 14.591 0.924 -2.924 1.00 0.00 N ATOM 0 H GLN A 63 10.397 -2.637 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 63 10.769 -1.388 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.127 -0.016 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.351 -1.151 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.747 -0.608 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.508 0.468 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.965 -0.025 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.033 1.653 -2.364 1.00 0.00 H new ATOM 1006 N GLN A 64 12.234 -4.018 -4.341 1.00 0.00 N ATOM 1007 CA GLN A 64 13.185 -5.074 -4.668 1.00 0.00 C ATOM 1008 C GLN A 64 12.697 -5.910 -5.853 1.00 0.00 C ATOM 1009 O GLN A 64 11.860 -5.457 -6.647 1.00 0.00 O ATOM 1010 CB GLN A 64 13.421 -5.967 -3.450 1.00 0.00 C ATOM 1011 CG GLN A 64 13.888 -5.208 -2.223 1.00 0.00 C ATOM 1012 CD GLN A 64 15.184 -4.464 -2.449 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.049 -4.906 -3.208 1.00 0.00 O ATOM 1014 NE2 GLN A 64 15.315 -3.324 -1.811 1.00 0.00 N ATOM 0 H GLN A 64 11.581 -4.255 -3.594 1.00 0.00 H new ATOM 0 HA GLN A 64 14.127 -4.605 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.497 -6.494 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.163 -6.724 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.115 -4.499 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.016 -5.907 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.573 -2.997 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.159 -2.765 -1.934 1.00 0.00 H new HETATM 1023 N SEP A 65 13.237 -7.116 -5.976 1.00 0.00 N HETATM 1024 CA SEP A 65 12.878 -8.027 -7.053 1.00 0.00 C HETATM 1025 CB SEP A 65 13.877 -9.190 -7.093 1.00 0.00 C HETATM 1026 OG SEP A 65 13.762 -9.954 -8.291 1.00 0.00 O HETATM 1027 C SEP A 65 11.446 -8.548 -6.858 1.00 0.00 C HETATM 1028 O SEP A 65 10.741 -8.134 -5.932 1.00 0.00 O HETATM 1029 P SEP A 65 14.864 -11.040 -8.641 1.00 0.00 P HETATM 1030 O1P SEP A 65 15.054 -11.261 -10.080 1.00 0.00 O HETATM 1031 O2P SEP A 65 16.116 -10.876 -7.908 1.00 0.00 O HETATM 1032 O3P SEP A 65 14.269 -12.409 -8.106 1.00 0.00 O HETATM 0 HB3 SEP A 65 14.891 -8.799 -7.008 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.712 -9.839 -6.233 1.00 0.00 H new HETATM 0 HA SEP A 65 12.917 -7.494 -8.003 1.00 0.00 H new HETATM 0 H SEP A 65 14.050 -7.312 -5.392 1.00 0.00 H new ATOM 1037 N ILE A 66 11.031 -9.463 -7.708 1.00 0.00 N ATOM 1038 CA ILE A 66 9.680 -9.975 -7.654 1.00 0.00 C ATOM 1039 C ILE A 66 9.605 -11.227 -6.766 1.00 0.00 C ATOM 1040 O ILE A 66 10.546 -12.031 -6.717 1.00 0.00 O ATOM 1041 CB ILE A 66 9.133 -10.260 -9.086 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.615 -10.368 -9.076 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.744 -11.525 -9.667 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.982 -10.129 -10.431 1.00 0.00 C ATOM 0 H ILE A 66 11.610 -9.867 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 66 9.045 -9.211 -7.205 1.00 0.00 H new ATOM 0 HB ILE A 66 9.418 -9.420 -9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.332 -11.359 -8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.212 -9.648 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.343 -11.697 -10.666 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.827 -11.413 -9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.501 -12.373 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.899 -10.222 -10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.235 -9.127 -10.779 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.356 -10.865 -11.142 1.00 0.00 H new ATOM 1056 N VAL A 67 8.503 -11.363 -6.048 1.00 0.00 N ATOM 1057 CA VAL A 67 8.302 -12.482 -5.135 1.00 0.00 C ATOM 1058 C VAL A 67 7.751 -13.686 -5.887 1.00 0.00 C ATOM 1059 O VAL A 67 6.909 -13.540 -6.766 1.00 0.00 O ATOM 1060 CB VAL A 67 7.320 -12.101 -4.004 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.399 -13.088 -2.850 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.587 -10.689 -3.521 1.00 0.00 C ATOM 0 H VAL A 67 7.724 -10.705 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 67 9.269 -12.733 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 67 6.309 -12.143 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.697 -12.793 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.146 -14.086 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.411 -13.093 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.886 -10.438 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.607 -10.621 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.461 -9.991 -4.349 1.00 0.00 H new ATOM 1072 N HIS A 68 8.234 -14.863 -5.549 1.00 0.00 N ATOM 1073 CA HIS A 68 7.785 -16.088 -6.195 1.00 0.00 C ATOM 1074 C HIS A 68 6.955 -16.920 -5.231 1.00 0.00 C ATOM 1075 O HIS A 68 7.401 -17.233 -4.132 1.00 0.00 O ATOM 1076 CB HIS A 68 8.985 -16.914 -6.684 1.00 0.00 C ATOM 1077 CG HIS A 68 9.890 -16.200 -7.651 1.00 0.00 C ATOM 1078 ND1 HIS A 68 11.158 -16.658 -7.908 1.00 0.00 N ATOM 1079 CD2 HIS A 68 9.661 -15.092 -8.398 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.669 -15.828 -8.800 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.802 -14.864 -9.125 1.00 0.00 N ATOM 0 H HIS A 68 8.941 -15.002 -4.827 1.00 0.00 H new ATOM 0 HA HIS A 68 7.171 -15.813 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.572 -17.223 -5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.614 -17.822 -7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.756 -14.503 -8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.662 -15.917 -9.214 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.959 -14.104 -9.787 1.00 0.00 H new ATOM 1089 N ILE A 69 5.749 -17.264 -5.628 1.00 0.00 N ATOM 1090 CA ILE A 69 4.892 -18.084 -4.792 1.00 0.00 C ATOM 1091 C ILE A 69 4.561 -19.398 -5.491 1.00 0.00 C ATOM 1092 O ILE A 69 3.954 -19.411 -6.569 1.00 0.00 O ATOM 1093 CB ILE A 69 3.590 -17.345 -4.402 1.00 0.00 C ATOM 1094 CG1 ILE A 69 3.915 -16.103 -3.563 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.659 -18.273 -3.641 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.693 -15.394 -3.011 1.00 0.00 C ATOM 0 H ILE A 69 5.339 -16.991 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 69 5.441 -18.296 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 69 3.085 -17.026 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.558 -16.396 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.483 -15.402 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.748 -17.736 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.406 -19.128 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.154 -18.621 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.007 -14.527 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.058 -15.068 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.134 -16.077 -2.371 1.00 0.00 H new ATOM 1108 N VAL A 70 4.958 -20.497 -4.874 1.00 0.00 N ATOM 1109 CA VAL A 70 4.744 -21.816 -5.442 1.00 0.00 C ATOM 1110 C VAL A 70 3.833 -22.657 -4.550 1.00 0.00 C ATOM 1111 O VAL A 70 3.853 -22.527 -3.325 1.00 0.00 O ATOM 1112 CB VAL A 70 6.084 -22.564 -5.673 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.960 -21.803 -6.659 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.827 -22.777 -4.359 1.00 0.00 C ATOM 0 H VAL A 70 5.434 -20.501 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 70 4.260 -21.671 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 70 5.853 -23.542 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.895 -22.344 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.439 -21.710 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.174 -20.810 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.762 -23.303 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.041 -21.811 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.209 -23.369 -3.684 1.00 0.00 H new ATOM 1124 N GLN A 71 3.029 -23.501 -5.167 1.00 0.00 N ATOM 1125 CA GLN A 71 2.112 -24.349 -4.430 1.00 0.00 C ATOM 1126 C GLN A 71 2.637 -25.773 -4.350 1.00 0.00 C ATOM 1127 O GLN A 71 2.997 -26.371 -5.368 1.00 0.00 O ATOM 1128 CB GLN A 71 0.739 -24.351 -5.102 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.340 -25.079 -4.311 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.587 -25.346 -5.133 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.305 -26.316 -4.899 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.846 -24.498 -6.103 1.00 0.00 N ATOM 0 H GLN A 71 2.992 -23.618 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 71 2.022 -23.950 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.423 -23.320 -5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.828 -24.814 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.059 -26.025 -3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.606 -24.486 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.226 -23.705 -6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.667 -24.633 -6.693 1.00 0.00 H new ATOM 1141 N ARG A 72 2.684 -26.306 -3.147 1.00 0.00 N ATOM 1142 CA ARG A 72 3.104 -27.680 -2.927 1.00 0.00 C ATOM 1143 C ARG A 72 2.043 -28.391 -2.091 1.00 0.00 C ATOM 1144 O ARG A 72 2.199 -28.551 -0.882 1.00 0.00 O ATOM 1145 CB ARG A 72 4.448 -27.722 -2.201 1.00 0.00 C ATOM 1146 CG ARG A 72 5.016 -29.121 -2.052 1.00 0.00 C ATOM 1147 CD ARG A 72 5.900 -29.226 -0.828 1.00 0.00 C ATOM 1148 NE ARG A 72 5.136 -29.015 0.407 1.00 0.00 N ATOM 1149 CZ ARG A 72 5.678 -28.918 1.623 1.00 0.00 C ATOM 1150 NH1 ARG A 72 6.998 -29.007 1.773 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 4.901 -28.726 2.684 1.00 0.00 N ATOM 0 H ARG A 72 2.434 -25.804 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 72 3.219 -28.179 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.164 -27.105 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.331 -27.279 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.201 -29.841 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.590 -29.380 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.372 -30.208 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.701 -28.489 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 72 4.122 -28.937 0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.595 -29.149 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.412 -28.933 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.890 -28.653 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.316 -28.652 3.613 1.00 0.00 H new ATOM 1165 N PRO A 73 0.945 -28.820 -2.728 1.00 0.00 N ATOM 1166 CA PRO A 73 -0.194 -29.399 -2.022 1.00 0.00 C ATOM 1167 C PRO A 73 0.058 -30.816 -1.519 1.00 0.00 C ATOM 1168 O PRO A 73 0.884 -31.557 -2.067 1.00 0.00 O ATOM 1169 CB PRO A 73 -1.299 -29.389 -3.077 1.00 0.00 C ATOM 1170 CG PRO A 73 -0.582 -29.500 -4.377 1.00 0.00 C ATOM 1171 CD PRO A 73 0.743 -28.807 -4.191 1.00 0.00 C ATOM 0 HA PRO A 73 -0.432 -28.836 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.990 -30.219 -2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.887 -28.472 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.439 -30.544 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.155 -29.034 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.545 -29.331 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.721 -27.790 -4.583 1.00 0.00 H new ATOM 1179 N TRP A 74 -0.661 -31.181 -0.473 1.00 0.00 N ATOM 1180 CA TRP A 74 -0.559 -32.498 0.121 1.00 0.00 C ATOM 1181 C TRP A 74 -1.925 -33.166 0.107 1.00 0.00 C ATOM 1182 O TRP A 74 -2.931 -32.520 0.403 1.00 0.00 O ATOM 1183 CB TRP A 74 -0.028 -32.389 1.561 1.00 0.00 C ATOM 1184 CG TRP A 74 0.055 -33.704 2.282 1.00 0.00 C ATOM 1185 CD1 TRP A 74 1.021 -34.656 2.139 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -0.863 -34.208 3.262 1.00 0.00 C ATOM 1187 NE1 TRP A 74 0.755 -35.723 2.962 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -0.395 -35.472 3.662 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -2.038 -33.712 3.838 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -1.056 -36.247 4.612 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 -2.693 -34.482 4.780 1.00 0.00 C ATOM 1192 CH2 TRP A 74 -2.202 -35.737 5.158 1.00 0.00 C ATOM 0 H TRP A 74 -1.334 -30.569 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 74 0.139 -33.103 -0.457 1.00 0.00 H new ATOM 0 HB2 TRP A 74 0.963 -31.935 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -0.674 -31.717 2.126 1.00 0.00 H new ATOM 0 HD1 TRP A 74 1.870 -34.582 1.476 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.323 -36.567 3.039 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.426 -32.745 3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.678 -37.215 4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.600 -34.109 5.233 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.739 -36.315 5.896 1.00 0.00 H new ATOM 1203 N ARG A 75 -1.959 -34.451 -0.267 1.00 0.00 N ATOM 1204 CA ARG A 75 -3.210 -35.228 -0.328 1.00 0.00 C ATOM 1205 C ARG A 75 -4.131 -34.679 -1.437 1.00 0.00 C ATOM 1206 O ARG A 75 -5.321 -34.980 -1.492 1.00 0.00 O ATOM 1207 CB ARG A 75 -3.915 -35.221 1.051 1.00 0.00 C ATOM 1208 CG ARG A 75 -5.093 -36.182 1.185 1.00 0.00 C ATOM 1209 CD ARG A 75 -4.677 -37.620 0.926 1.00 0.00 C ATOM 1210 NE ARG A 75 -5.753 -38.567 1.232 1.00 0.00 N ATOM 1211 CZ ARG A 75 -6.065 -39.628 0.484 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -5.388 -39.885 -0.632 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -7.052 -40.437 0.856 1.00 0.00 N ATOM 0 H ARG A 75 -1.129 -34.981 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.973 -36.263 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.180 -35.464 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.267 -34.210 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.517 -36.100 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.876 -35.898 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.383 -37.730 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.802 -37.858 1.530 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.302 -38.404 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.627 -39.270 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.630 -40.697 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.571 -40.247 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.290 -41.247 0.284 1.00 0.00 H new ATOM 1227 N LYS A 76 -3.553 -33.897 -2.330 1.00 0.00 N ATOM 1228 CA LYS A 76 -4.293 -33.308 -3.425 1.00 0.00 C ATOM 1229 C LYS A 76 -4.314 -34.260 -4.608 1.00 0.00 C ATOM 1230 O LYS A 76 -5.395 -34.775 -4.939 1.00 0.00 O ATOM 1231 CB LYS A 76 -3.672 -31.967 -3.834 1.00 0.00 C ATOM 1232 CG LYS A 76 -4.377 -31.270 -4.998 1.00 0.00 C ATOM 1233 CD LYS A 76 -5.776 -30.792 -4.621 1.00 0.00 C ATOM 1234 CE LYS A 76 -5.733 -29.680 -3.581 1.00 0.00 C ATOM 1235 NZ LYS A 76 -7.089 -29.165 -3.260 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -3.236 -34.509 -5.185 1.00 0.00 O ATOM 0 H LYS A 76 -2.562 -33.655 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.317 -33.127 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.677 -31.301 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.629 -32.131 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.780 -30.419 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.444 -31.955 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.291 -30.436 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.354 -31.630 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.262 -30.053 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.113 -28.863 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.014 -28.410 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.529 -28.786 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.674 -29.938 -2.884 1.00 0.00 H new TER 1250 LYS A 76