USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0898 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.0429 (180deg=-0.418) USER MOD Single : A 25 MET CE :methyl -155:sc= 0 (180deg=-0.609) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -1.01 (180deg=-1.57) USER MOD Single : A 30 ASN : amide:sc= -0.911 X(o=-0.91,f=-1.2) USER MOD Single : A 31 GLN :FLIP amide:sc= 0.289 F(o=-1.6!,f=0.29) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00311 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -3.18! C(o=-4.6!,f=-3.2!) USER MOD Single : A 47 CYS SG : rot -150:sc= -0.415 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0229 (180deg=-0.244) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00384 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -170:sc= -0.568 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.949 -0.039 0.975 1.00 0.00 N ATOM 2 CA GLY A 1 -27.956 -0.375 -0.029 1.00 0.00 C ATOM 3 C GLY A 1 -28.525 -1.230 -1.144 1.00 0.00 C ATOM 4 O GLY A 1 -28.617 -2.450 -1.014 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.511 0.546 1.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.727 0.490 0.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.322 -0.912 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.546 0.542 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.129 -0.904 0.445 1.00 0.00 H new ATOM 8 N SER A 2 -28.910 -0.587 -2.242 1.00 0.00 N ATOM 9 CA SER A 2 -29.478 -1.297 -3.382 1.00 0.00 C ATOM 10 C SER A 2 -28.781 -0.891 -4.677 1.00 0.00 C ATOM 11 O SER A 2 -29.057 0.170 -5.238 1.00 0.00 O ATOM 12 CB SER A 2 -30.979 -1.016 -3.488 1.00 0.00 C ATOM 13 OG SER A 2 -31.685 -1.602 -2.408 1.00 0.00 O ATOM 0 H SER A 2 -28.839 0.423 -2.366 1.00 0.00 H new ATOM 0 HA SER A 2 -29.325 -2.365 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.151 0.060 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.360 -1.408 -4.431 1.00 0.00 H new ATOM 0 HG SER A 2 -32.641 -1.407 -2.498 1.00 0.00 H new ATOM 19 N SER A 3 -27.875 -1.743 -5.146 1.00 0.00 N ATOM 20 CA SER A 3 -27.134 -1.473 -6.373 1.00 0.00 C ATOM 21 C SER A 3 -26.308 -0.197 -6.239 1.00 0.00 C ATOM 22 O SER A 3 -26.254 0.620 -7.156 1.00 0.00 O ATOM 23 CB SER A 3 -28.095 -1.350 -7.557 1.00 0.00 C ATOM 24 OG SER A 3 -28.467 -2.626 -8.047 1.00 0.00 O ATOM 0 H SER A 3 -27.636 -2.626 -4.695 1.00 0.00 H new ATOM 0 HA SER A 3 -26.455 -2.307 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.985 -0.801 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.624 -0.774 -8.354 1.00 0.00 H new ATOM 0 HG SER A 3 -29.083 -2.520 -8.802 1.00 0.00 H new ATOM 30 N GLY A 4 -25.665 -0.034 -5.086 1.00 0.00 N ATOM 31 CA GLY A 4 -24.850 1.143 -4.851 1.00 0.00 C ATOM 32 C GLY A 4 -23.575 1.138 -5.670 1.00 0.00 C ATOM 33 O GLY A 4 -22.568 0.562 -5.259 1.00 0.00 O ATOM 0 H GLY A 4 -25.694 -0.696 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.428 2.035 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.598 1.201 -3.792 1.00 0.00 H new ATOM 37 N SER A 5 -23.617 1.781 -6.832 1.00 0.00 N ATOM 38 CA SER A 5 -22.456 1.844 -7.714 1.00 0.00 C ATOM 39 C SER A 5 -21.164 1.916 -6.906 1.00 0.00 C ATOM 40 O SER A 5 -20.262 1.098 -7.083 1.00 0.00 O ATOM 41 CB SER A 5 -22.560 3.055 -8.642 1.00 0.00 C ATOM 42 OG SER A 5 -22.723 4.252 -7.902 1.00 0.00 O ATOM 0 H SER A 5 -24.442 2.266 -7.185 1.00 0.00 H new ATOM 0 HA SER A 5 -22.437 0.935 -8.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.663 3.124 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.403 2.926 -9.321 1.00 0.00 H new ATOM 0 HG SER A 5 -22.785 5.012 -8.518 1.00 0.00 H new ATOM 48 N SER A 6 -21.083 2.902 -6.018 1.00 0.00 N ATOM 49 CA SER A 6 -19.900 3.085 -5.185 1.00 0.00 C ATOM 50 C SER A 6 -19.285 1.739 -4.813 1.00 0.00 C ATOM 51 O SER A 6 -19.995 0.778 -4.521 1.00 0.00 O ATOM 52 CB SER A 6 -20.259 3.863 -3.918 1.00 0.00 C ATOM 53 OG SER A 6 -20.918 3.032 -2.978 1.00 0.00 O ATOM 0 H SER A 6 -21.822 3.586 -5.857 1.00 0.00 H new ATOM 0 HA SER A 6 -19.167 3.654 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.354 4.275 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.900 4.706 -4.175 1.00 0.00 H new ATOM 0 HG SER A 6 -21.135 3.553 -2.177 1.00 0.00 H new ATOM 59 N GLY A 7 -17.956 1.679 -4.825 1.00 0.00 N ATOM 60 CA GLY A 7 -17.266 0.448 -4.487 1.00 0.00 C ATOM 61 C GLY A 7 -15.868 0.695 -3.957 1.00 0.00 C ATOM 62 O GLY A 7 -14.882 0.283 -4.568 1.00 0.00 O ATOM 0 H GLY A 7 -17.346 2.461 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.844 -0.096 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.209 -0.188 -5.371 1.00 0.00 H new ATOM 66 N LYS A 8 -15.780 1.370 -2.816 1.00 0.00 N ATOM 67 CA LYS A 8 -14.492 1.672 -2.202 1.00 0.00 C ATOM 68 C LYS A 8 -13.635 0.415 -2.090 1.00 0.00 C ATOM 69 O LYS A 8 -13.801 -0.381 -1.166 1.00 0.00 O ATOM 70 CB LYS A 8 -14.697 2.288 -0.816 1.00 0.00 C ATOM 71 CG LYS A 8 -15.337 3.665 -0.852 1.00 0.00 C ATOM 72 CD LYS A 8 -15.081 4.433 0.435 1.00 0.00 C ATOM 73 CE LYS A 8 -16.192 5.432 0.718 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.334 4.803 1.436 1.00 0.00 N ATOM 0 H LYS A 8 -16.586 1.719 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.973 2.389 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.321 1.622 -0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.733 2.357 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.943 4.229 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.411 3.564 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.998 3.734 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.128 4.957 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.797 6.255 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.544 5.859 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.070 5.517 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.727 4.034 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.004 4.418 2.344 1.00 0.00 H new ATOM 88 N GLY A 9 -12.717 0.244 -3.036 1.00 0.00 N ATOM 89 CA GLY A 9 -11.846 -0.917 -3.023 1.00 0.00 C ATOM 90 C GLY A 9 -11.955 -1.737 -4.294 1.00 0.00 C ATOM 91 O GLY A 9 -12.793 -1.460 -5.150 1.00 0.00 O ATOM 0 H GLY A 9 -12.561 0.888 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.814 -0.592 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.094 -1.544 -2.167 1.00 0.00 H new ATOM 95 N GLY A 10 -11.103 -2.750 -4.417 1.00 0.00 N ATOM 96 CA GLY A 10 -11.122 -3.596 -5.596 1.00 0.00 C ATOM 97 C GLY A 10 -10.141 -3.136 -6.656 1.00 0.00 C ATOM 98 O GLY A 10 -8.998 -3.593 -6.694 1.00 0.00 O ATOM 0 H GLY A 10 -10.400 -3.000 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.887 -4.621 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.128 -3.606 -6.016 1.00 0.00 H new ATOM 102 N VAL A 11 -10.587 -2.231 -7.521 1.00 0.00 N ATOM 103 CA VAL A 11 -9.740 -1.709 -8.587 1.00 0.00 C ATOM 104 C VAL A 11 -8.643 -0.810 -8.027 1.00 0.00 C ATOM 105 O VAL A 11 -8.841 -0.123 -7.025 1.00 0.00 O ATOM 106 CB VAL A 11 -10.562 -0.916 -9.619 1.00 0.00 C ATOM 107 CG1 VAL A 11 -11.018 0.412 -9.033 1.00 0.00 C ATOM 108 CG2 VAL A 11 -9.754 -0.698 -10.889 1.00 0.00 C ATOM 0 H VAL A 11 -11.531 -1.844 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.285 -2.568 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.449 -1.496 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.597 0.958 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.637 0.229 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.147 1.002 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.350 -0.136 -11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.849 -0.139 -10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.483 -1.663 -11.318 1.00 0.00 H new ATOM 118 N TRP A 12 -7.488 -0.820 -8.681 1.00 0.00 N ATOM 119 CA TRP A 12 -6.358 -0.004 -8.249 1.00 0.00 C ATOM 120 C TRP A 12 -5.551 0.486 -9.446 1.00 0.00 C ATOM 121 O TRP A 12 -5.265 -0.278 -10.367 1.00 0.00 O ATOM 122 CB TRP A 12 -5.459 -0.802 -7.303 1.00 0.00 C ATOM 123 CG TRP A 12 -5.874 -0.706 -5.866 1.00 0.00 C ATOM 124 CD1 TRP A 12 -6.996 -1.242 -5.300 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.174 -0.032 -4.815 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.035 -0.942 -3.960 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.928 -0.201 -3.637 1.00 0.00 C ATOM 128 CE3 TRP A 12 -3.983 0.696 -4.753 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.529 0.333 -2.415 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.588 1.225 -3.539 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.359 1.041 -2.384 1.00 0.00 C ATOM 0 H TRP A 12 -7.308 -1.383 -9.512 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.750 0.865 -7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.464 -1.849 -7.606 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.433 -0.446 -7.402 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.742 -1.817 -5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.769 -1.225 -3.311 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.382 0.843 -5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.122 0.193 -1.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.669 1.790 -3.480 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.023 1.467 -1.450 1.00 0.00 H new ATOM 142 N ARG A 13 -5.186 1.764 -9.425 1.00 0.00 N ATOM 143 CA ARG A 13 -4.412 2.355 -10.510 1.00 0.00 C ATOM 144 C ARG A 13 -2.919 2.315 -10.197 1.00 0.00 C ATOM 145 O ARG A 13 -2.517 2.379 -9.037 1.00 0.00 O ATOM 146 CB ARG A 13 -4.855 3.799 -10.753 1.00 0.00 C ATOM 147 CG ARG A 13 -6.307 3.926 -11.187 1.00 0.00 C ATOM 148 CD ARG A 13 -6.537 5.192 -11.997 1.00 0.00 C ATOM 149 NE ARG A 13 -6.305 6.398 -11.205 1.00 0.00 N ATOM 150 CZ ARG A 13 -6.447 7.629 -11.684 1.00 0.00 C ATOM 151 NH1 ARG A 13 -6.818 7.816 -12.943 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.218 8.676 -10.901 1.00 0.00 N ATOM 0 H ARG A 13 -5.414 2.410 -8.669 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.592 1.770 -11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.706 4.374 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.216 4.242 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.588 3.056 -11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.951 3.933 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.875 5.194 -12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.559 5.199 -12.377 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.019 6.289 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.995 7.013 -13.547 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.926 8.762 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.933 8.535 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.327 9.621 -11.269 1.00 0.00 H new ATOM 166 N ASN A 14 -2.104 2.209 -11.241 1.00 0.00 N ATOM 167 CA ASN A 14 -0.656 2.159 -11.078 1.00 0.00 C ATOM 168 C ASN A 14 -0.185 3.212 -10.079 1.00 0.00 C ATOM 169 O ASN A 14 0.608 2.923 -9.182 1.00 0.00 O ATOM 170 CB ASN A 14 0.038 2.371 -12.425 1.00 0.00 C ATOM 171 CG ASN A 14 1.433 1.778 -12.457 1.00 0.00 C ATOM 172 OD1 ASN A 14 1.607 0.566 -12.326 1.00 0.00 O ATOM 173 ND2 ASN A 14 2.435 2.631 -12.631 1.00 0.00 N ATOM 0 H ASN A 14 -2.422 2.156 -12.209 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.392 1.174 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.563 1.921 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.095 3.439 -12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.396 2.290 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.244 3.628 -12.735 1.00 0.00 H new ATOM 180 N THR A 15 -0.678 4.436 -10.241 1.00 0.00 N ATOM 181 CA THR A 15 -0.308 5.533 -9.355 1.00 0.00 C ATOM 182 C THR A 15 -0.609 5.190 -7.901 1.00 0.00 C ATOM 183 O THR A 15 0.279 5.227 -7.049 1.00 0.00 O ATOM 184 CB THR A 15 -1.049 6.831 -9.729 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.453 6.577 -9.846 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.520 7.398 -11.037 1.00 0.00 C ATOM 0 H THR A 15 -1.335 4.693 -10.978 1.00 0.00 H new ATOM 0 HA THR A 15 0.764 5.688 -9.474 1.00 0.00 H new ATOM 0 HB THR A 15 -0.877 7.562 -8.939 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.917 7.407 -10.082 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.058 8.314 -11.281 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.543 7.618 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.665 6.669 -11.834 1.00 0.00 H new ATOM 194 N GLU A 16 -1.865 4.856 -7.624 1.00 0.00 N ATOM 195 CA GLU A 16 -2.282 4.506 -6.270 1.00 0.00 C ATOM 196 C GLU A 16 -1.393 3.407 -5.695 1.00 0.00 C ATOM 197 O GLU A 16 -0.998 3.461 -4.530 1.00 0.00 O ATOM 198 CB GLU A 16 -3.742 4.051 -6.264 1.00 0.00 C ATOM 199 CG GLU A 16 -4.714 5.117 -6.741 1.00 0.00 C ATOM 200 CD GLU A 16 -6.142 4.612 -6.821 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.332 3.381 -6.915 1.00 0.00 O ATOM 202 OE2 GLU A 16 -7.069 5.448 -6.788 1.00 0.00 O ATOM 0 H GLU A 16 -2.612 4.820 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.183 5.394 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.842 3.170 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.015 3.748 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.672 5.970 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.403 5.473 -7.723 1.00 0.00 H new ATOM 209 N ASP A 17 -1.082 2.413 -6.519 1.00 0.00 N ATOM 210 CA ASP A 17 -0.240 1.302 -6.093 1.00 0.00 C ATOM 211 C ASP A 17 1.169 1.784 -5.759 1.00 0.00 C ATOM 212 O ASP A 17 1.745 1.391 -4.746 1.00 0.00 O ATOM 213 CB ASP A 17 -0.181 0.231 -7.184 1.00 0.00 C ATOM 214 CG ASP A 17 -1.292 -0.791 -7.053 1.00 0.00 C ATOM 215 OD1 ASP A 17 -1.163 -1.704 -6.210 1.00 0.00 O ATOM 216 OD2 ASP A 17 -2.292 -0.678 -7.792 1.00 0.00 O ATOM 0 H ASP A 17 -1.401 2.354 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.679 0.870 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.244 0.709 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.783 -0.276 -7.139 1.00 0.00 H new ATOM 221 N GLU A 18 1.716 2.637 -6.620 1.00 0.00 N ATOM 222 CA GLU A 18 3.058 3.170 -6.416 1.00 0.00 C ATOM 223 C GLU A 18 3.149 3.923 -5.092 1.00 0.00 C ATOM 224 O GLU A 18 4.091 3.734 -4.322 1.00 0.00 O ATOM 225 CB GLU A 18 3.442 4.099 -7.570 1.00 0.00 C ATOM 226 CG GLU A 18 4.078 3.377 -8.746 1.00 0.00 C ATOM 227 CD GLU A 18 5.514 2.972 -8.475 1.00 0.00 C ATOM 228 OE1 GLU A 18 5.728 1.852 -7.966 1.00 0.00 O ATOM 229 OE2 GLU A 18 6.423 3.775 -8.770 1.00 0.00 O ATOM 0 H GLU A 18 1.251 2.973 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 18 3.754 2.331 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.551 4.623 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.135 4.856 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.492 2.489 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.046 4.022 -9.624 1.00 0.00 H new ATOM 236 N ILE A 19 2.164 4.776 -4.834 1.00 0.00 N ATOM 237 CA ILE A 19 2.132 5.557 -3.604 1.00 0.00 C ATOM 238 C ILE A 19 1.966 4.655 -2.385 1.00 0.00 C ATOM 239 O ILE A 19 2.646 4.829 -1.373 1.00 0.00 O ATOM 240 CB ILE A 19 0.991 6.591 -3.622 1.00 0.00 C ATOM 241 CG1 ILE A 19 1.149 7.536 -4.815 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.966 7.375 -2.319 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.146 8.190 -5.244 1.00 0.00 C ATOM 0 H ILE A 19 1.377 4.944 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 19 3.085 6.082 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 19 0.043 6.062 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.871 8.312 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.562 6.980 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.154 8.102 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.811 6.690 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.915 7.896 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.042 8.846 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.864 7.422 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.550 8.774 -4.417 1.00 0.00 H new ATOM 255 N LEU A 20 1.059 3.691 -2.489 1.00 0.00 N ATOM 256 CA LEU A 20 0.804 2.759 -1.396 1.00 0.00 C ATOM 257 C LEU A 20 2.065 1.979 -1.040 1.00 0.00 C ATOM 258 O LEU A 20 2.577 2.079 0.075 1.00 0.00 O ATOM 259 CB LEU A 20 -0.318 1.791 -1.775 1.00 0.00 C ATOM 260 CG LEU A 20 -0.605 0.671 -0.775 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.220 1.235 0.496 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.521 -0.375 -1.394 1.00 0.00 C ATOM 0 H LEU A 20 0.487 3.534 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 20 0.498 3.336 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.233 2.366 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.071 1.339 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 20 0.339 0.191 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.417 0.423 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.529 1.946 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.155 1.741 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.715 -1.165 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.463 0.091 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.042 -0.802 -2.275 1.00 0.00 H new ATOM 274 N LYS A 21 2.563 1.202 -1.996 1.00 0.00 N ATOM 275 CA LYS A 21 3.767 0.406 -1.787 1.00 0.00 C ATOM 276 C LYS A 21 4.818 1.202 -1.019 1.00 0.00 C ATOM 277 O LYS A 21 5.336 0.743 -0.001 1.00 0.00 O ATOM 278 CB LYS A 21 4.340 -0.053 -3.129 1.00 0.00 C ATOM 279 CG LYS A 21 3.786 -1.385 -3.603 1.00 0.00 C ATOM 280 CD LYS A 21 4.087 -1.623 -5.073 1.00 0.00 C ATOM 281 CE LYS A 21 2.982 -1.077 -5.965 1.00 0.00 C ATOM 282 NZ LYS A 21 3.040 -1.654 -7.336 1.00 0.00 N ATOM 0 H LYS A 21 2.151 1.106 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 21 3.496 -0.469 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.131 0.707 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.424 -0.129 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.215 -2.191 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.708 -1.409 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.033 -1.149 -5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.206 -2.691 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.012 -1.298 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.066 0.008 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.624 -0.983 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.031 -1.837 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.506 -2.546 -7.360 1.00 0.00 H new ATOM 296 N ALA A 22 5.127 2.397 -1.513 1.00 0.00 N ATOM 297 CA ALA A 22 6.113 3.257 -0.871 1.00 0.00 C ATOM 298 C ALA A 22 5.722 3.560 0.571 1.00 0.00 C ATOM 299 O ALA A 22 6.422 3.177 1.508 1.00 0.00 O ATOM 300 CB ALA A 22 6.279 4.548 -1.658 1.00 0.00 C ATOM 0 H ALA A 22 4.708 2.791 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 22 7.066 2.728 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.018 5.181 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.613 4.317 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.325 5.073 -1.702 1.00 0.00 H new ATOM 306 N ALA A 23 4.599 4.251 0.742 1.00 0.00 N ATOM 307 CA ALA A 23 4.114 4.604 2.070 1.00 0.00 C ATOM 308 C ALA A 23 4.226 3.423 3.028 1.00 0.00 C ATOM 309 O ALA A 23 4.720 3.562 4.147 1.00 0.00 O ATOM 310 CB ALA A 23 2.674 5.090 1.994 1.00 0.00 C ATOM 0 H ALA A 23 4.009 4.577 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 23 4.738 5.410 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.325 5.350 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.620 5.968 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.045 4.300 1.584 1.00 0.00 H new ATOM 316 N VAL A 24 3.763 2.260 2.582 1.00 0.00 N ATOM 317 CA VAL A 24 3.811 1.053 3.399 1.00 0.00 C ATOM 318 C VAL A 24 5.232 0.768 3.875 1.00 0.00 C ATOM 319 O VAL A 24 5.436 0.224 4.960 1.00 0.00 O ATOM 320 CB VAL A 24 3.286 -0.170 2.626 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.558 -1.450 3.402 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.800 -0.019 2.335 1.00 0.00 C ATOM 0 H VAL A 24 3.350 2.128 1.659 1.00 0.00 H new ATOM 0 HA VAL A 24 3.170 1.230 4.262 1.00 0.00 H new ATOM 0 HB VAL A 24 3.815 -0.231 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.180 -2.304 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.632 -1.562 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.058 -1.402 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.446 -0.893 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.252 0.068 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.636 0.876 1.735 1.00 0.00 H new ATOM 332 N MET A 25 6.210 1.141 3.056 1.00 0.00 N ATOM 333 CA MET A 25 7.612 0.927 3.394 1.00 0.00 C ATOM 334 C MET A 25 8.111 2.003 4.352 1.00 0.00 C ATOM 335 O MET A 25 8.957 1.744 5.208 1.00 0.00 O ATOM 336 CB MET A 25 8.469 0.919 2.127 1.00 0.00 C ATOM 337 CG MET A 25 8.159 -0.238 1.191 1.00 0.00 C ATOM 338 SD MET A 25 8.818 -1.808 1.785 1.00 0.00 S ATOM 339 CE MET A 25 8.188 -2.932 0.541 1.00 0.00 C ATOM 0 H MET A 25 6.057 1.593 2.154 1.00 0.00 H new ATOM 0 HA MET A 25 7.697 -0.041 3.887 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.322 1.857 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.521 0.875 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.079 -0.324 1.071 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.573 -0.024 0.206 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.111 -3.934 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.203 -2.599 0.215 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.866 -2.948 -0.312 1.00 0.00 H new ATOM 349 N LYS A 26 7.582 3.213 4.203 1.00 0.00 N ATOM 350 CA LYS A 26 7.972 4.330 5.055 1.00 0.00 C ATOM 351 C LYS A 26 7.293 4.237 6.418 1.00 0.00 C ATOM 352 O LYS A 26 7.958 4.107 7.446 1.00 0.00 O ATOM 353 CB LYS A 26 7.614 5.659 4.386 1.00 0.00 C ATOM 354 CG LYS A 26 7.829 6.868 5.279 1.00 0.00 C ATOM 355 CD LYS A 26 7.337 8.144 4.618 1.00 0.00 C ATOM 356 CE LYS A 26 7.027 9.221 5.647 1.00 0.00 C ATOM 357 NZ LYS A 26 8.262 9.900 6.128 1.00 0.00 N ATOM 0 H LYS A 26 6.881 3.445 3.499 1.00 0.00 H new ATOM 0 HA LYS A 26 9.051 4.283 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.213 5.774 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.570 5.629 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.305 6.721 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.889 6.964 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.093 8.510 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.443 7.930 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.354 9.958 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.505 8.775 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.009 10.627 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.894 9.201 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.748 10.347 5.324 1.00 0.00 H new ATOM 371 N TYR A 27 5.966 4.302 6.419 1.00 0.00 N ATOM 372 CA TYR A 27 5.198 4.227 7.656 1.00 0.00 C ATOM 373 C TYR A 27 5.140 2.793 8.174 1.00 0.00 C ATOM 374 O TYR A 27 5.133 2.556 9.381 1.00 0.00 O ATOM 375 CB TYR A 27 3.781 4.759 7.435 1.00 0.00 C ATOM 376 CG TYR A 27 3.743 6.141 6.823 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.796 7.277 7.622 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.651 6.312 5.448 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.761 8.542 7.068 1.00 0.00 C ATOM 380 CE2 TYR A 27 3.617 7.573 4.885 1.00 0.00 C ATOM 381 CZ TYR A 27 3.671 8.685 5.699 1.00 0.00 C ATOM 382 OH TYR A 27 3.635 9.943 5.142 1.00 0.00 O ATOM 0 H TYR A 27 5.400 4.406 5.577 1.00 0.00 H new ATOM 0 HA TYR A 27 5.698 4.844 8.402 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.239 4.069 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.256 4.779 8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.866 7.169 8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.605 5.444 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.804 9.414 7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.549 7.687 3.813 1.00 0.00 H new ATOM 0 HH TYR A 27 3.572 9.867 4.167 1.00 0.00 H new ATOM 392 N GLY A 28 5.098 1.838 7.250 1.00 0.00 N ATOM 393 CA GLY A 28 5.041 0.439 7.631 1.00 0.00 C ATOM 394 C GLY A 28 3.700 -0.194 7.315 1.00 0.00 C ATOM 395 O GLY A 28 2.762 0.491 6.908 1.00 0.00 O ATOM 0 H GLY A 28 5.102 2.008 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.829 -0.108 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.240 0.348 8.699 1.00 0.00 H new ATOM 399 N LYS A 29 3.609 -1.507 7.500 1.00 0.00 N ATOM 400 CA LYS A 29 2.374 -2.234 7.232 1.00 0.00 C ATOM 401 C LYS A 29 1.443 -2.188 8.439 1.00 0.00 C ATOM 402 O LYS A 29 0.643 -3.098 8.653 1.00 0.00 O ATOM 403 CB LYS A 29 2.683 -3.688 6.868 1.00 0.00 C ATOM 404 CG LYS A 29 3.316 -3.850 5.497 1.00 0.00 C ATOM 405 CD LYS A 29 4.204 -5.082 5.436 1.00 0.00 C ATOM 406 CE LYS A 29 5.637 -4.757 5.829 1.00 0.00 C ATOM 407 NZ LYS A 29 5.756 -4.443 7.280 1.00 0.00 N ATOM 0 H LYS A 29 4.377 -2.089 7.835 1.00 0.00 H new ATOM 0 HA LYS A 29 1.874 -1.754 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.352 -4.108 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.760 -4.267 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.535 -3.926 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.905 -2.964 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.809 -5.850 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.187 -5.494 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.281 -5.602 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.991 -3.908 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.742 -4.576 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.473 -3.456 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.137 -5.077 7.824 1.00 0.00 H new ATOM 421 N ASN A 30 1.551 -1.120 9.224 1.00 0.00 N ATOM 422 CA ASN A 30 0.717 -0.955 10.409 1.00 0.00 C ATOM 423 C ASN A 30 -0.003 0.389 10.385 1.00 0.00 C ATOM 424 O ASN A 30 -1.086 0.534 10.952 1.00 0.00 O ATOM 425 CB ASN A 30 1.567 -1.068 11.676 1.00 0.00 C ATOM 426 CG ASN A 30 2.890 -0.338 11.551 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.045 0.778 12.046 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.853 -0.967 10.887 1.00 0.00 N ATOM 0 H ASN A 30 2.208 -0.357 9.061 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.031 -1.748 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.010 -0.663 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.754 -2.120 11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.765 -0.525 10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.681 -1.892 10.493 1.00 0.00 H new ATOM 435 N GLN A 31 0.606 1.369 9.724 1.00 0.00 N ATOM 436 CA GLN A 31 0.023 2.702 9.626 1.00 0.00 C ATOM 437 C GLN A 31 -0.927 2.794 8.436 1.00 0.00 C ATOM 438 O GLN A 31 -0.992 3.821 7.761 1.00 0.00 O ATOM 439 CB GLN A 31 1.124 3.755 9.499 1.00 0.00 C ATOM 440 CG GLN A 31 2.110 3.748 10.656 1.00 0.00 C ATOM 441 CD GLN A 31 1.690 4.666 11.787 1.00 0.00 C ATOM 442 OE1 GLN A 31 2.131 5.917 11.730 1.00 0.00 O flip ATOM 443 NE2 GLN A 31 0.976 4.255 12.702 1.00 0.00 N flip ATOM 0 H GLN A 31 1.502 1.265 9.249 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.546 2.891 10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.667 3.590 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.665 4.741 9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.210 2.732 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.092 4.051 10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.660 3.285 12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.701 4.884 13.456 1.00 0.00 H new ATOM 452 N TRP A 32 -1.660 1.716 8.186 1.00 0.00 N ATOM 453 CA TRP A 32 -2.606 1.676 7.076 1.00 0.00 C ATOM 454 C TRP A 32 -3.516 2.899 7.092 1.00 0.00 C ATOM 455 O TRP A 32 -3.492 3.714 6.169 1.00 0.00 O ATOM 456 CB TRP A 32 -3.446 0.399 7.141 1.00 0.00 C ATOM 457 CG TRP A 32 -2.642 -0.851 6.950 1.00 0.00 C ATOM 458 CD1 TRP A 32 -2.531 -1.896 7.823 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.836 -1.187 5.816 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.705 -2.860 7.300 1.00 0.00 N ATOM 461 CE2 TRP A 32 -1.266 -2.450 6.069 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.542 -0.545 4.610 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.419 -3.080 5.160 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.701 -1.171 3.710 1.00 0.00 C ATOM 465 CH2 TRP A 32 -0.148 -2.428 3.988 1.00 0.00 C ATOM 0 H TRP A 32 -1.618 0.858 8.736 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.037 1.682 6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.951 0.354 8.106 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.222 0.444 6.377 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.021 -1.955 8.784 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.458 -3.739 7.755 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.965 0.423 4.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.009 -4.049 5.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.466 -0.683 2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.505 -2.891 3.263 1.00 0.00 H new ATOM 476 N SER A 33 -4.317 3.022 8.145 1.00 0.00 N ATOM 477 CA SER A 33 -5.237 4.145 8.279 1.00 0.00 C ATOM 478 C SER A 33 -4.576 5.445 7.832 1.00 0.00 C ATOM 479 O SER A 33 -5.195 6.271 7.161 1.00 0.00 O ATOM 480 CB SER A 33 -5.713 4.273 9.727 1.00 0.00 C ATOM 481 OG SER A 33 -6.618 5.353 9.873 1.00 0.00 O ATOM 0 H SER A 33 -4.348 2.357 8.918 1.00 0.00 H new ATOM 0 HA SER A 33 -6.098 3.956 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.195 3.346 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.855 4.422 10.383 1.00 0.00 H new ATOM 0 HG SER A 33 -6.908 5.412 10.807 1.00 0.00 H new ATOM 487 N ARG A 34 -3.314 5.621 8.210 1.00 0.00 N ATOM 488 CA ARG A 34 -2.568 6.820 7.851 1.00 0.00 C ATOM 489 C ARG A 34 -2.289 6.858 6.351 1.00 0.00 C ATOM 490 O ARG A 34 -2.405 7.905 5.714 1.00 0.00 O ATOM 491 CB ARG A 34 -1.251 6.880 8.627 1.00 0.00 C ATOM 492 CG ARG A 34 -0.646 8.272 8.694 1.00 0.00 C ATOM 493 CD ARG A 34 0.740 8.248 9.321 1.00 0.00 C ATOM 494 NE ARG A 34 0.688 8.421 10.770 1.00 0.00 N ATOM 495 CZ ARG A 34 0.230 9.517 11.364 1.00 0.00 C ATOM 496 NH1 ARG A 34 -0.214 10.533 10.636 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.215 9.600 12.688 1.00 0.00 N ATOM 0 H ARG A 34 -2.787 4.947 8.765 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.175 7.687 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.420 6.517 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.534 6.204 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.585 8.692 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.298 8.926 9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.228 7.302 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.350 9.038 8.883 1.00 0.00 H new ATOM 0 HE ARG A 34 1.022 7.658 11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.204 10.474 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.565 11.374 11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.556 8.821 13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.137 10.443 13.142 1.00 0.00 H new ATOM 511 N ILE A 35 -1.920 5.709 5.794 1.00 0.00 N ATOM 512 CA ILE A 35 -1.625 5.611 4.370 1.00 0.00 C ATOM 513 C ILE A 35 -2.871 5.878 3.531 1.00 0.00 C ATOM 514 O ILE A 35 -2.856 6.713 2.628 1.00 0.00 O ATOM 515 CB ILE A 35 -1.062 4.225 4.006 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.310 4.022 4.653 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.969 4.071 2.495 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.740 2.573 4.716 1.00 0.00 C ATOM 0 H ILE A 35 -1.818 4.833 6.307 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.873 6.369 4.150 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.740 3.462 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.054 4.589 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.290 4.431 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.569 3.086 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.961 4.177 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.310 4.839 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.721 2.505 5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.017 2.004 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.792 2.165 3.707 1.00 0.00 H new ATOM 530 N ALA A 36 -3.948 5.163 3.838 1.00 0.00 N ATOM 531 CA ALA A 36 -5.204 5.325 3.116 1.00 0.00 C ATOM 532 C ALA A 36 -5.481 6.795 2.819 1.00 0.00 C ATOM 533 O ALA A 36 -5.896 7.147 1.715 1.00 0.00 O ATOM 534 CB ALA A 36 -6.351 4.719 3.909 1.00 0.00 C ATOM 0 H ALA A 36 -3.976 4.466 4.582 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.118 4.800 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.282 4.847 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.165 3.656 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.429 5.218 4.875 1.00 0.00 H new ATOM 540 N SER A 37 -5.249 7.648 3.812 1.00 0.00 N ATOM 541 CA SER A 37 -5.478 9.080 3.658 1.00 0.00 C ATOM 542 C SER A 37 -4.789 9.609 2.404 1.00 0.00 C ATOM 543 O SER A 37 -5.346 10.431 1.676 1.00 0.00 O ATOM 544 CB SER A 37 -4.970 9.834 4.889 1.00 0.00 C ATOM 545 OG SER A 37 -5.059 11.235 4.701 1.00 0.00 O ATOM 0 H SER A 37 -4.903 7.372 4.731 1.00 0.00 H new ATOM 0 HA SER A 37 -6.551 9.243 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.552 9.543 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.935 9.556 5.088 1.00 0.00 H new ATOM 0 HG SER A 37 -4.730 11.694 5.502 1.00 0.00 H new ATOM 551 N LEU A 38 -3.575 9.131 2.157 1.00 0.00 N ATOM 552 CA LEU A 38 -2.808 9.555 0.991 1.00 0.00 C ATOM 553 C LEU A 38 -3.601 9.332 -0.292 1.00 0.00 C ATOM 554 O LEU A 38 -3.688 10.218 -1.143 1.00 0.00 O ATOM 555 CB LEU A 38 -1.483 8.794 0.923 1.00 0.00 C ATOM 556 CG LEU A 38 -0.646 8.787 2.204 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.411 7.695 2.145 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.000 10.147 2.425 1.00 0.00 C ATOM 0 H LEU A 38 -3.100 8.449 2.749 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.603 10.621 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.694 7.761 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.881 9.223 0.122 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.306 8.579 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.996 7.705 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.074 6.725 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.069 7.871 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.592 10.124 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.647 10.384 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.775 10.908 2.513 1.00 0.00 H new ATOM 570 N LEU A 39 -4.181 8.144 -0.425 1.00 0.00 N ATOM 571 CA LEU A 39 -4.970 7.804 -1.604 1.00 0.00 C ATOM 572 C LEU A 39 -6.422 8.236 -1.430 1.00 0.00 C ATOM 573 O LEU A 39 -6.929 8.309 -0.310 1.00 0.00 O ATOM 574 CB LEU A 39 -4.902 6.300 -1.872 1.00 0.00 C ATOM 575 CG LEU A 39 -3.500 5.693 -1.942 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.536 4.221 -1.563 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.911 5.873 -3.333 1.00 0.00 C ATOM 0 H LEU A 39 -4.120 7.400 0.270 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.551 8.338 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.460 5.786 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.412 6.096 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.863 6.215 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.530 3.806 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.916 4.116 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.188 3.684 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.913 5.435 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.548 5.377 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.849 6.936 -3.567 1.00 0.00 H new ATOM 589 N HIS A 40 -7.087 8.521 -2.545 1.00 0.00 N ATOM 590 CA HIS A 40 -8.483 8.943 -2.516 1.00 0.00 C ATOM 591 C HIS A 40 -9.416 7.747 -2.679 1.00 0.00 C ATOM 592 O HIS A 40 -9.141 6.834 -3.457 1.00 0.00 O ATOM 593 CB HIS A 40 -8.751 9.967 -3.619 1.00 0.00 C ATOM 594 CG HIS A 40 -10.198 10.324 -3.766 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.825 10.438 -4.989 1.00 0.00 N ATOM 596 CD2 HIS A 40 -11.143 10.592 -2.835 1.00 0.00 C ATOM 597 CE1 HIS A 40 -12.092 10.762 -4.804 1.00 0.00 C ATOM 598 NE2 HIS A 40 -12.311 10.861 -3.505 1.00 0.00 N ATOM 0 H HIS A 40 -6.682 8.467 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.677 9.404 -1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.181 10.872 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.385 9.572 -4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.004 10.594 -1.764 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.824 10.919 -5.582 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.203 11.099 -3.070 1.00 0.00 H new ATOM 607 N ARG A 41 -10.520 7.758 -1.939 1.00 0.00 N ATOM 608 CA ARG A 41 -11.492 6.673 -2.000 1.00 0.00 C ATOM 609 C ARG A 41 -10.866 5.356 -1.550 1.00 0.00 C ATOM 610 O ARG A 41 -11.106 4.307 -2.147 1.00 0.00 O ATOM 611 CB ARG A 41 -12.040 6.531 -3.421 1.00 0.00 C ATOM 612 CG ARG A 41 -12.554 7.835 -4.009 1.00 0.00 C ATOM 613 CD ARG A 41 -13.617 7.588 -5.069 1.00 0.00 C ATOM 614 NE ARG A 41 -13.076 6.896 -6.236 1.00 0.00 N ATOM 615 CZ ARG A 41 -13.656 6.906 -7.430 1.00 0.00 C ATOM 616 NH1 ARG A 41 -14.790 7.569 -7.615 1.00 0.00 N ATOM 617 NH2 ARG A 41 -13.103 6.252 -8.444 1.00 0.00 N ATOM 0 H ARG A 41 -10.764 8.506 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.312 6.915 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.255 6.136 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.849 5.800 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.968 8.455 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.724 8.390 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.426 6.997 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.047 8.540 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.205 6.377 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.219 8.073 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.233 7.575 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.231 5.741 -8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.550 6.261 -9.361 1.00 0.00 H new ATOM 631 N LYS A 42 -10.063 5.420 -0.494 1.00 0.00 N ATOM 632 CA LYS A 42 -9.402 4.233 0.038 1.00 0.00 C ATOM 633 C LYS A 42 -9.380 4.260 1.563 1.00 0.00 C ATOM 634 O LYS A 42 -9.182 5.311 2.172 1.00 0.00 O ATOM 635 CB LYS A 42 -7.974 4.135 -0.502 1.00 0.00 C ATOM 636 CG LYS A 42 -7.904 3.756 -1.971 1.00 0.00 C ATOM 637 CD LYS A 42 -8.448 2.358 -2.213 1.00 0.00 C ATOM 638 CE LYS A 42 -8.318 1.954 -3.674 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.321 2.645 -4.531 1.00 0.00 N ATOM 0 H LYS A 42 -9.854 6.281 0.011 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.966 3.358 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.474 5.093 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.424 3.397 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.472 4.475 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.870 3.809 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.911 1.644 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.496 2.318 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.314 2.189 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.444 0.875 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.200 2.343 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.279 2.401 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.185 3.674 -4.464 1.00 0.00 H new ATOM 653 N SER A 43 -9.584 3.097 2.174 1.00 0.00 N ATOM 654 CA SER A 43 -9.589 2.989 3.628 1.00 0.00 C ATOM 655 C SER A 43 -8.579 1.947 4.098 1.00 0.00 C ATOM 656 O SER A 43 -8.220 1.034 3.355 1.00 0.00 O ATOM 657 CB SER A 43 -10.988 2.621 4.128 1.00 0.00 C ATOM 658 OG SER A 43 -11.019 2.542 5.542 1.00 0.00 O ATOM 0 H SER A 43 -9.748 2.217 1.685 1.00 0.00 H new ATOM 0 HA SER A 43 -9.306 3.957 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.707 3.365 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.291 1.665 3.700 1.00 0.00 H new ATOM 0 HG SER A 43 -11.924 2.307 5.837 1.00 0.00 H new ATOM 664 N ALA A 44 -8.123 2.092 5.338 1.00 0.00 N ATOM 665 CA ALA A 44 -7.156 1.164 5.910 1.00 0.00 C ATOM 666 C ALA A 44 -7.410 -0.261 5.429 1.00 0.00 C ATOM 667 O ALA A 44 -6.503 -0.933 4.939 1.00 0.00 O ATOM 668 CB ALA A 44 -7.199 1.225 7.430 1.00 0.00 C ATOM 0 H ALA A 44 -8.408 2.844 5.966 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.163 1.462 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.471 0.526 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.960 2.236 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.197 0.957 7.777 1.00 0.00 H new ATOM 674 N LYS A 45 -8.650 -0.715 5.572 1.00 0.00 N ATOM 675 CA LYS A 45 -9.026 -2.060 5.152 1.00 0.00 C ATOM 676 C LYS A 45 -8.478 -2.369 3.762 1.00 0.00 C ATOM 677 O LYS A 45 -7.752 -3.345 3.575 1.00 0.00 O ATOM 678 CB LYS A 45 -10.549 -2.211 5.155 1.00 0.00 C ATOM 679 CG LYS A 45 -11.019 -3.626 5.446 1.00 0.00 C ATOM 680 CD LYS A 45 -10.706 -4.566 4.294 1.00 0.00 C ATOM 681 CE LYS A 45 -11.684 -4.382 3.144 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.725 -5.576 2.255 1.00 0.00 N ATOM 0 H LYS A 45 -9.413 -0.171 5.976 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.595 -2.768 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.971 -1.536 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.939 -1.900 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.539 -3.990 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.093 -3.622 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.690 -4.386 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.744 -5.598 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.681 -4.191 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.400 -3.505 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.403 -5.411 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.780 -5.744 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.021 -6.408 2.804 1.00 0.00 H new ATOM 696 N GLN A 46 -8.828 -1.530 2.793 1.00 0.00 N ATOM 697 CA GLN A 46 -8.369 -1.714 1.421 1.00 0.00 C ATOM 698 C GLN A 46 -6.849 -1.827 1.366 1.00 0.00 C ATOM 699 O GLN A 46 -6.309 -2.815 0.867 1.00 0.00 O ATOM 700 CB GLN A 46 -8.838 -0.552 0.544 1.00 0.00 C ATOM 701 CG GLN A 46 -10.189 -0.790 -0.111 1.00 0.00 C ATOM 702 CD GLN A 46 -10.323 -2.189 -0.680 1.00 0.00 C ATOM 703 OE1 GLN A 46 -9.530 -2.491 -1.701 1.00 0.00 O flip ATOM 704 NE2 GLN A 46 -11.131 -2.989 -0.207 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.428 -0.717 2.932 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.798 -2.642 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.892 0.352 1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.094 -0.370 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.978 -0.623 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.335 -0.062 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.721 -2.714 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.210 -3.927 -0.601 1.00 0.00 H new ATOM 713 N CYS A 47 -6.166 -0.811 1.881 1.00 0.00 N ATOM 714 CA CYS A 47 -4.708 -0.796 1.889 1.00 0.00 C ATOM 715 C CYS A 47 -4.153 -2.133 2.369 1.00 0.00 C ATOM 716 O CYS A 47 -3.234 -2.689 1.768 1.00 0.00 O ATOM 717 CB CYS A 47 -4.194 0.334 2.782 1.00 0.00 C ATOM 718 SG CYS A 47 -4.774 1.977 2.301 1.00 0.00 S ATOM 0 H CYS A 47 -6.599 0.013 2.298 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.365 -0.627 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.501 0.139 3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.104 0.327 2.768 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.883 2.865 2.629 1.00 0.00 H new ATOM 724 N LYS A 48 -4.716 -2.644 3.459 1.00 0.00 N ATOM 725 CA LYS A 48 -4.279 -3.916 4.022 1.00 0.00 C ATOM 726 C LYS A 48 -4.561 -5.064 3.058 1.00 0.00 C ATOM 727 O LYS A 48 -3.665 -5.835 2.717 1.00 0.00 O ATOM 728 CB LYS A 48 -4.980 -4.174 5.358 1.00 0.00 C ATOM 729 CG LYS A 48 -4.617 -5.507 5.988 1.00 0.00 C ATOM 730 CD LYS A 48 -4.781 -5.473 7.498 1.00 0.00 C ATOM 731 CE LYS A 48 -3.487 -5.073 8.190 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.376 -5.671 9.549 1.00 0.00 N ATOM 0 H LYS A 48 -5.477 -2.196 3.970 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.203 -3.860 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.727 -3.373 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.059 -4.135 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.248 -6.292 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.586 -5.760 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.570 -4.769 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.097 -6.454 7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.638 -5.390 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.437 -3.987 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.481 -5.374 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.172 -5.349 10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.398 -6.708 9.475 1.00 0.00 H new ATOM 746 N ALA A 49 -5.812 -5.170 2.621 1.00 0.00 N ATOM 747 CA ALA A 49 -6.211 -6.221 1.694 1.00 0.00 C ATOM 748 C ALA A 49 -5.409 -6.144 0.399 1.00 0.00 C ATOM 749 O ALA A 49 -4.633 -7.047 0.083 1.00 0.00 O ATOM 750 CB ALA A 49 -7.701 -6.129 1.400 1.00 0.00 C ATOM 0 H ALA A 49 -6.566 -4.540 2.895 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.003 -7.183 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.984 -6.920 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.262 -6.241 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.925 -5.159 0.955 1.00 0.00 H new ATOM 756 N ARG A 50 -5.601 -5.061 -0.347 1.00 0.00 N ATOM 757 CA ARG A 50 -4.897 -4.868 -1.609 1.00 0.00 C ATOM 758 C ARG A 50 -3.421 -5.231 -1.469 1.00 0.00 C ATOM 759 O ARG A 50 -2.824 -5.804 -2.380 1.00 0.00 O ATOM 760 CB ARG A 50 -5.034 -3.418 -2.077 1.00 0.00 C ATOM 761 CG ARG A 50 -4.062 -3.040 -3.183 1.00 0.00 C ATOM 762 CD ARG A 50 -4.198 -3.963 -4.384 1.00 0.00 C ATOM 763 NE ARG A 50 -3.712 -3.338 -5.612 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.027 -3.768 -6.829 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.823 -4.817 -6.980 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.546 -3.146 -7.898 1.00 0.00 N ATOM 0 H ARG A 50 -6.238 -4.304 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.347 -5.527 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.053 -3.253 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.879 -2.754 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.243 -2.010 -3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.041 -3.084 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.641 -4.882 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.244 -4.243 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.098 -2.528 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.196 -5.297 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.063 -5.145 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.934 -2.338 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.788 -3.476 -8.832 1.00 0.00 H new ATOM 780 N TRP A 51 -2.841 -4.893 -0.324 1.00 0.00 N ATOM 781 CA TRP A 51 -1.435 -5.182 -0.065 1.00 0.00 C ATOM 782 C TRP A 51 -1.195 -6.686 0.015 1.00 0.00 C ATOM 783 O TRP A 51 -0.534 -7.266 -0.846 1.00 0.00 O ATOM 784 CB TRP A 51 -0.985 -4.511 1.233 1.00 0.00 C ATOM 785 CG TRP A 51 0.370 -4.956 1.694 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.647 -5.969 2.568 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.632 -4.402 1.305 1.00 0.00 C ATOM 788 NE1 TRP A 51 2.006 -6.077 2.746 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.632 -5.128 1.982 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.015 -3.365 0.450 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.987 -4.848 1.829 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.360 -3.088 0.300 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.333 -3.827 0.986 1.00 0.00 C ATOM 0 H TRP A 51 -3.322 -4.419 0.440 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.849 -4.783 -0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.975 -3.430 1.090 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.714 -4.723 2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.092 -6.593 3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.473 -6.754 3.349 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.273 -2.790 -0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.739 -5.416 2.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.667 -2.288 -0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.377 -3.586 0.847 1.00 0.00 H new ATOM 804 N TYR A 52 -1.735 -7.312 1.055 1.00 0.00 N ATOM 805 CA TYR A 52 -1.578 -8.748 1.248 1.00 0.00 C ATOM 806 C TYR A 52 -2.141 -9.523 0.061 1.00 0.00 C ATOM 807 O TYR A 52 -1.845 -10.704 -0.119 1.00 0.00 O ATOM 808 CB TYR A 52 -2.275 -9.190 2.536 1.00 0.00 C ATOM 809 CG TYR A 52 -1.522 -8.813 3.792 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.243 -9.300 4.033 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.089 -7.967 4.738 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.447 -8.958 5.179 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.405 -7.619 5.886 1.00 0.00 C ATOM 814 CZ TYR A 52 -0.138 -8.117 6.103 1.00 0.00 C ATOM 815 OH TYR A 52 0.548 -7.773 7.245 1.00 0.00 O ATOM 0 H TYR A 52 -2.285 -6.847 1.777 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.512 -8.963 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.270 -8.746 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.409 -10.271 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.219 -9.957 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.082 -7.575 4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.440 -9.347 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.860 -6.960 6.610 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.004 -7.174 7.790 1.00 0.00 H new ATOM 825 N GLU A 53 -2.953 -8.848 -0.747 1.00 0.00 N ATOM 826 CA GLU A 53 -3.558 -9.473 -1.917 1.00 0.00 C ATOM 827 C GLU A 53 -2.508 -9.746 -2.991 1.00 0.00 C ATOM 828 O GLU A 53 -2.335 -10.884 -3.429 1.00 0.00 O ATOM 829 CB GLU A 53 -4.664 -8.581 -2.485 1.00 0.00 C ATOM 830 CG GLU A 53 -6.027 -8.829 -1.861 1.00 0.00 C ATOM 831 CD GLU A 53 -7.139 -8.084 -2.572 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.089 -6.837 -2.609 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.059 -8.748 -3.093 1.00 0.00 O ATOM 0 H GLU A 53 -3.207 -7.869 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.992 -10.424 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.390 -7.537 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.732 -8.741 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.241 -9.898 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.004 -8.526 -0.814 1.00 0.00 H new ATOM 840 N TRP A 54 -1.812 -8.696 -3.410 1.00 0.00 N ATOM 841 CA TRP A 54 -0.781 -8.822 -4.433 1.00 0.00 C ATOM 842 C TRP A 54 0.529 -8.198 -3.965 1.00 0.00 C ATOM 843 O TRP A 54 1.608 -8.746 -4.199 1.00 0.00 O ATOM 844 CB TRP A 54 -1.239 -8.160 -5.734 1.00 0.00 C ATOM 845 CG TRP A 54 -2.719 -8.242 -5.953 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.616 -7.214 -5.888 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.475 -9.417 -6.269 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.883 -7.679 -6.145 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.824 -9.026 -6.383 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.143 -10.759 -6.470 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.837 -9.931 -6.687 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.150 -11.656 -6.771 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.484 -11.240 -6.878 1.00 0.00 C ATOM 0 H TRP A 54 -1.943 -7.748 -3.057 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.613 -9.884 -4.614 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.938 -7.113 -5.726 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.728 -8.632 -6.573 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.366 -6.187 -5.667 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.731 -7.112 -6.157 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.118 -11.089 -6.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.865 -9.612 -6.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.905 -12.696 -6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.248 -11.966 -7.116 1.00 0.00 H new ATOM 864 N LEU A 55 0.430 -7.051 -3.303 1.00 0.00 N ATOM 865 CA LEU A 55 1.608 -6.353 -2.801 1.00 0.00 C ATOM 866 C LEU A 55 2.032 -6.905 -1.444 1.00 0.00 C ATOM 867 O LEU A 55 1.654 -6.372 -0.400 1.00 0.00 O ATOM 868 CB LEU A 55 1.327 -4.853 -2.689 1.00 0.00 C ATOM 869 CG LEU A 55 0.307 -4.286 -3.677 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.233 -2.771 -3.557 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.659 -4.693 -5.100 1.00 0.00 C ATOM 0 H LEU A 55 -0.454 -6.584 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 55 2.423 -6.513 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.979 -4.643 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.267 -4.317 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.673 -4.698 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.498 -2.385 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.067 -2.500 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.211 -2.341 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.078 -4.281 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.648 -4.310 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.660 -5.780 -5.178 1.00 0.00 H new ATOM 883 N ASP A 56 2.820 -7.974 -1.466 1.00 0.00 N ATOM 884 CA ASP A 56 3.298 -8.597 -0.237 1.00 0.00 C ATOM 885 C ASP A 56 4.442 -9.564 -0.528 1.00 0.00 C ATOM 886 O ASP A 56 4.376 -10.385 -1.442 1.00 0.00 O ATOM 887 CB ASP A 56 2.156 -9.334 0.464 1.00 0.00 C ATOM 888 CG ASP A 56 2.644 -10.513 1.282 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.794 -10.463 1.769 1.00 0.00 O ATOM 890 OD2 ASP A 56 1.877 -11.486 1.438 1.00 0.00 O ATOM 0 H ASP A 56 3.141 -8.427 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 56 3.669 -7.810 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.624 -8.639 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.441 -9.683 -0.281 1.00 0.00 H new ATOM 895 N PRO A 57 5.518 -9.464 0.268 1.00 0.00 N ATOM 896 CA PRO A 57 6.697 -10.321 0.115 1.00 0.00 C ATOM 897 C PRO A 57 6.417 -11.767 0.510 1.00 0.00 C ATOM 898 O PRO A 57 6.813 -12.699 -0.190 1.00 0.00 O ATOM 899 CB PRO A 57 7.717 -9.694 1.069 1.00 0.00 C ATOM 900 CG PRO A 57 6.895 -8.991 2.094 1.00 0.00 C ATOM 901 CD PRO A 57 5.665 -8.507 1.377 1.00 0.00 C ATOM 0 HA PRO A 57 7.035 -10.369 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.352 -10.454 1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.375 -9.000 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.632 -9.663 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.445 -8.158 2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.792 -8.511 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.787 -7.487 1.014 1.00 0.00 H new ATOM 909 N SER A 58 5.733 -11.947 1.635 1.00 0.00 N ATOM 910 CA SER A 58 5.403 -13.281 2.124 1.00 0.00 C ATOM 911 C SER A 58 4.790 -14.130 1.015 1.00 0.00 C ATOM 912 O SER A 58 5.004 -15.341 0.956 1.00 0.00 O ATOM 913 CB SER A 58 4.435 -13.188 3.306 1.00 0.00 C ATOM 914 OG SER A 58 5.115 -12.824 4.494 1.00 0.00 O ATOM 0 H SER A 58 5.396 -11.186 2.225 1.00 0.00 H new ATOM 0 HA SER A 58 6.325 -13.759 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.659 -12.454 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.936 -14.147 3.448 1.00 0.00 H new ATOM 0 HG SER A 58 4.475 -12.770 5.234 1.00 0.00 H new ATOM 920 N ILE A 59 4.027 -13.486 0.138 1.00 0.00 N ATOM 921 CA ILE A 59 3.384 -14.181 -0.970 1.00 0.00 C ATOM 922 C ILE A 59 4.269 -15.303 -1.503 1.00 0.00 C ATOM 923 O ILE A 59 5.493 -15.180 -1.539 1.00 0.00 O ATOM 924 CB ILE A 59 3.049 -13.216 -2.122 1.00 0.00 C ATOM 925 CG1 ILE A 59 2.078 -12.134 -1.644 1.00 0.00 C ATOM 926 CG2 ILE A 59 2.461 -13.980 -3.299 1.00 0.00 C ATOM 927 CD1 ILE A 59 1.873 -11.020 -2.647 1.00 0.00 C ATOM 0 H ILE A 59 3.839 -12.484 0.173 1.00 0.00 H new ATOM 0 HA ILE A 59 2.458 -14.605 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 59 3.969 -12.733 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.115 -12.594 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.451 -11.709 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.229 -13.284 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.183 -14.717 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.549 -14.487 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.173 -10.289 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.827 -10.534 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.471 -11.433 -3.572 1.00 0.00 H new ATOM 939 N LYS A 60 3.641 -16.398 -1.918 1.00 0.00 N ATOM 940 CA LYS A 60 4.369 -17.542 -2.453 1.00 0.00 C ATOM 941 C LYS A 60 4.748 -17.312 -3.913 1.00 0.00 C ATOM 942 O LYS A 60 4.627 -18.211 -4.745 1.00 0.00 O ATOM 943 CB LYS A 60 3.526 -18.813 -2.328 1.00 0.00 C ATOM 944 CG LYS A 60 3.477 -19.374 -0.918 1.00 0.00 C ATOM 945 CD LYS A 60 4.753 -20.122 -0.570 1.00 0.00 C ATOM 946 CE LYS A 60 4.522 -21.129 0.546 1.00 0.00 C ATOM 947 NZ LYS A 60 5.692 -22.032 0.729 1.00 0.00 N ATOM 0 H LYS A 60 2.628 -16.517 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 60 5.284 -17.662 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.510 -18.599 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.928 -19.573 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.325 -18.561 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.623 -20.045 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.127 -20.637 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.522 -19.411 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.323 -20.599 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.636 -21.723 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.495 -22.703 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.867 -22.556 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.532 -21.468 0.968 1.00 0.00 H new ATOM 961 N LYS A 61 5.208 -16.103 -4.216 1.00 0.00 N ATOM 962 CA LYS A 61 5.607 -15.754 -5.575 1.00 0.00 C ATOM 963 C LYS A 61 7.040 -15.233 -5.603 1.00 0.00 C ATOM 964 O LYS A 61 7.628 -14.943 -4.561 1.00 0.00 O ATOM 965 CB LYS A 61 4.658 -14.702 -6.153 1.00 0.00 C ATOM 966 CG LYS A 61 3.212 -15.161 -6.225 1.00 0.00 C ATOM 967 CD LYS A 61 2.970 -16.053 -7.431 1.00 0.00 C ATOM 968 CE LYS A 61 2.934 -15.248 -8.722 1.00 0.00 C ATOM 969 NZ LYS A 61 1.732 -14.373 -8.797 1.00 0.00 N ATOM 0 H LYS A 61 5.314 -15.348 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 61 5.555 -16.655 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.714 -13.800 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.995 -14.432 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.955 -15.702 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.556 -14.292 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.756 -16.805 -7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.027 -16.586 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.833 -14.636 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.942 -15.928 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.596 -14.053 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.895 -14.906 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.865 -13.547 -8.179 1.00 0.00 H new ATOM 983 N THR A 62 7.598 -15.114 -6.804 1.00 0.00 N ATOM 984 CA THR A 62 8.962 -14.627 -6.968 1.00 0.00 C ATOM 985 C THR A 62 8.986 -13.115 -7.162 1.00 0.00 C ATOM 986 O THR A 62 8.230 -12.572 -7.966 1.00 0.00 O ATOM 987 CB THR A 62 9.658 -15.298 -8.168 1.00 0.00 C ATOM 988 OG1 THR A 62 10.955 -14.726 -8.365 1.00 0.00 O ATOM 989 CG2 THR A 62 8.829 -15.137 -9.433 1.00 0.00 C ATOM 0 H THR A 62 7.126 -15.348 -7.677 1.00 0.00 H new ATOM 0 HA THR A 62 9.501 -14.883 -6.056 1.00 0.00 H new ATOM 0 HB THR A 62 9.760 -16.362 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.391 -15.159 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.340 -15.618 -10.267 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.853 -15.600 -9.290 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.699 -14.077 -9.650 1.00 0.00 H new ATOM 997 N GLU A 63 9.861 -12.442 -6.421 1.00 0.00 N ATOM 998 CA GLU A 63 9.982 -10.992 -6.513 1.00 0.00 C ATOM 999 C GLU A 63 11.448 -10.568 -6.521 1.00 0.00 C ATOM 1000 O GLU A 63 12.311 -11.270 -5.992 1.00 0.00 O ATOM 1001 CB GLU A 63 9.253 -10.322 -5.346 1.00 0.00 C ATOM 1002 CG GLU A 63 9.003 -8.838 -5.557 1.00 0.00 C ATOM 1003 CD GLU A 63 7.858 -8.314 -4.711 1.00 0.00 C ATOM 1004 OE1 GLU A 63 6.979 -9.119 -4.339 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.841 -7.100 -4.421 1.00 0.00 O ATOM 0 H GLU A 63 10.495 -12.877 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 63 9.524 -10.674 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.298 -10.824 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.838 -10.458 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.910 -8.283 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.785 -8.656 -6.609 1.00 0.00 H new ATOM 1012 N TRP A 64 11.722 -9.418 -7.125 1.00 0.00 N ATOM 1013 CA TRP A 64 13.083 -8.900 -7.203 1.00 0.00 C ATOM 1014 C TRP A 64 13.185 -7.533 -6.536 1.00 0.00 C ATOM 1015 O TRP A 64 13.854 -6.633 -7.044 1.00 0.00 O ATOM 1016 CB TRP A 64 13.531 -8.805 -8.662 1.00 0.00 C ATOM 1017 CG TRP A 64 12.533 -8.121 -9.546 1.00 0.00 C ATOM 1018 CD1 TRP A 64 11.934 -6.914 -9.326 1.00 0.00 C ATOM 1019 CD2 TRP A 64 12.016 -8.606 -10.790 1.00 0.00 C ATOM 1020 NE1 TRP A 64 11.076 -6.619 -10.358 1.00 0.00 N ATOM 1021 CE2 TRP A 64 11.109 -7.641 -11.270 1.00 0.00 C ATOM 1022 CE3 TRP A 64 12.234 -9.761 -11.547 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 10.420 -7.798 -12.470 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 11.549 -9.916 -12.738 1.00 0.00 C ATOM 1025 CH2 TRP A 64 10.652 -8.939 -13.190 1.00 0.00 C ATOM 0 H TRP A 64 11.020 -8.826 -7.568 1.00 0.00 H new ATOM 0 HA TRP A 64 13.739 -9.591 -6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 64 14.477 -8.266 -8.710 1.00 0.00 H new ATOM 0 HB3 TRP A 64 13.716 -9.809 -9.044 1.00 0.00 H new ATOM 0 HD1 TRP A 64 12.109 -6.283 -8.467 1.00 0.00 H new ATOM 0 HE1 TRP A 64 10.507 -5.776 -10.433 1.00 0.00 H new ATOM 0 HE3 TRP A 64 12.925 -10.518 -11.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 9.728 -7.047 -12.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 11.708 -10.805 -13.330 1.00 0.00 H new ATOM 0 HH2 TRP A 64 10.133 -9.089 -14.125 1.00 0.00 H new ATOM 1036 N SER A 65 12.518 -7.384 -5.396 1.00 0.00 N ATOM 1037 CA SER A 65 12.531 -6.124 -4.662 1.00 0.00 C ATOM 1038 C SER A 65 13.695 -6.081 -3.677 1.00 0.00 C ATOM 1039 O SER A 65 14.345 -5.050 -3.511 1.00 0.00 O ATOM 1040 CB SER A 65 11.209 -5.930 -3.916 1.00 0.00 C ATOM 1041 OG SER A 65 10.899 -7.065 -3.126 1.00 0.00 O ATOM 0 H SER A 65 11.962 -8.120 -4.961 1.00 0.00 H new ATOM 0 HA SER A 65 12.656 -5.314 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.272 -5.047 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.407 -5.751 -4.632 1.00 0.00 H new ATOM 0 HG SER A 65 10.051 -6.916 -2.658 1.00 0.00 H new ATOM 1047 N GLY A 66 13.953 -7.211 -3.025 1.00 0.00 N ATOM 1048 CA GLY A 66 15.038 -7.282 -2.065 1.00 0.00 C ATOM 1049 C GLY A 66 14.832 -8.378 -1.037 1.00 0.00 C ATOM 1050 O GLY A 66 13.705 -8.697 -0.656 1.00 0.00 O ATOM 0 H GLY A 66 13.430 -8.078 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.976 -7.455 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.132 -6.323 -1.555 1.00 0.00 H new ATOM 1054 N PRO A 67 15.939 -8.975 -0.573 1.00 0.00 N ATOM 1055 CA PRO A 67 15.901 -10.051 0.421 1.00 0.00 C ATOM 1056 C PRO A 67 15.475 -9.553 1.798 1.00 0.00 C ATOM 1057 O PRO A 67 15.387 -10.329 2.750 1.00 0.00 O ATOM 1058 CB PRO A 67 17.347 -10.553 0.458 1.00 0.00 C ATOM 1059 CG PRO A 67 18.162 -9.389 0.012 1.00 0.00 C ATOM 1060 CD PRO A 67 17.315 -8.646 -0.984 1.00 0.00 C ATOM 0 HA PRO A 67 15.175 -10.821 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.630 -10.873 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.486 -11.410 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.423 -8.750 0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.097 -9.718 -0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.500 -7.572 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.518 -8.970 -2.005 1.00 0.00 H new ATOM 1068 N SER A 68 15.210 -8.254 1.897 1.00 0.00 N ATOM 1069 CA SER A 68 14.796 -7.652 3.159 1.00 0.00 C ATOM 1070 C SER A 68 13.275 -7.624 3.274 1.00 0.00 C ATOM 1071 O SER A 68 12.636 -6.621 2.957 1.00 0.00 O ATOM 1072 CB SER A 68 15.354 -6.232 3.278 1.00 0.00 C ATOM 1073 OG SER A 68 15.434 -5.828 4.634 1.00 0.00 O ATOM 0 H SER A 68 15.275 -7.598 1.118 1.00 0.00 H new ATOM 0 HA SER A 68 15.193 -8.260 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.343 -6.187 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.718 -5.540 2.726 1.00 0.00 H new ATOM 0 HG SER A 68 15.795 -4.918 4.684 1.00 0.00 H new ATOM 1079 N SER A 69 12.702 -8.733 3.731 1.00 0.00 N ATOM 1080 CA SER A 69 11.256 -8.838 3.885 1.00 0.00 C ATOM 1081 C SER A 69 10.845 -8.602 5.335 1.00 0.00 C ATOM 1082 O SER A 69 10.593 -9.547 6.082 1.00 0.00 O ATOM 1083 CB SER A 69 10.771 -10.214 3.423 1.00 0.00 C ATOM 1084 OG SER A 69 9.372 -10.348 3.602 1.00 0.00 O ATOM 0 H SER A 69 13.217 -9.571 4.001 1.00 0.00 H new ATOM 0 HA SER A 69 10.793 -8.070 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.022 -10.357 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.289 -10.993 3.983 1.00 0.00 H new ATOM 0 HG SER A 69 9.111 -11.280 3.451 1.00 0.00 H new ATOM 1090 N GLY A 70 10.782 -7.333 5.727 1.00 0.00 N ATOM 1091 CA GLY A 70 10.402 -6.995 7.086 1.00 0.00 C ATOM 1092 C GLY A 70 9.975 -5.547 7.225 1.00 0.00 C ATOM 1093 O GLY A 70 9.458 -5.143 8.267 1.00 0.00 O ATOM 0 H GLY A 70 10.987 -6.533 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.586 -7.644 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.241 -7.189 7.754 1.00 0.00 H new TER 1097 GLY A 70