USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 LYS NZ :NH3+ 138:sc= 1.26 (180deg=-0.00311) USER MOD Set 1.2: A 106 ASN : amide:sc= -1.75! C(o=-0.49!,f=-13!) USER MOD Set 2.1: A 48 ASN :FLIP amide:sc= -0.386 F(o=-5.3!,f=-2) USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= -1.57! C(o=-5.8!,f=-2!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.215 (180deg=-0.9) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.017 (180deg=-0.156) USER MOD Single : A 5 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -173:sc= -0.438 (180deg=-0.492) USER MOD Single : A 30 SER OG : rot 77:sc= 1.3 USER MOD Single : A 32 SER OG : rot -42:sc= 0.723 USER MOD Single : A 33 ASN : amide:sc= 0.566 K(o=0.57,f=-4.4!) USER MOD Single : A 50 GLN : amide:sc= -0.392 K(o=-0.39,f=-4.5!) USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -1.54 (180deg=-1.9!) USER MOD Single : A 66 SER OG : rot -37:sc= -0.599 USER MOD Single : A 71 SER OG : rot 87:sc= 0.324 USER MOD Single : A 76 SER OG : rot 82:sc= 1.15 USER MOD Single : A 89 MET CE :methyl 164:sc= -8.32! (180deg=-9.26!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 123:sc= -0.559 USER MOD Single : A 97 THR OG1 : rot 70:sc= 0.0983 USER MOD Single : A 107 TYR OH : rot 63:sc= 1.46 USER MOD Single : A 110 THR OG1 : rot -15:sc= 0.741 USER MOD Single : A 111 HIS : no HD1:sc=-0.00711 X(o=-0.0071,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.572 0.928 21.275 1.00 0.00 N ATOM 2 CA MET A 1 -5.996 1.275 21.028 1.00 0.00 C ATOM 3 C MET A 1 -6.895 0.684 22.109 1.00 0.00 C ATOM 4 O MET A 1 -6.716 -0.462 22.522 1.00 0.00 O ATOM 5 CB MET A 1 -6.432 0.766 19.653 1.00 0.00 C ATOM 6 CG MET A 1 -6.289 -0.738 19.483 1.00 0.00 C ATOM 7 SD MET A 1 -6.846 -1.314 17.868 1.00 0.00 S ATOM 8 CE MET A 1 -8.547 -0.751 17.872 1.00 0.00 C ATOM 0 H1 MET A 1 -4.083 0.801 20.366 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.115 1.695 21.809 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.520 0.046 21.823 1.00 0.00 H new ATOM 0 HA MET A 1 -6.091 2.361 21.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.473 1.044 19.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.841 1.267 18.886 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.245 -1.017 19.623 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.861 -1.243 20.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.126 -1.339 17.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.968 -0.872 18.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.583 0.301 17.588 1.00 0.00 H new ATOM 18 N ALA A 2 -7.863 1.475 22.564 1.00 0.00 N ATOM 19 CA ALA A 2 -8.793 1.032 23.596 1.00 0.00 C ATOM 20 C ALA A 2 -9.977 1.986 23.717 1.00 0.00 C ATOM 21 O ALA A 2 -9.855 3.071 24.286 1.00 0.00 O ATOM 22 CB ALA A 2 -8.078 0.902 24.933 1.00 0.00 C ATOM 0 H ALA A 2 -8.023 2.427 22.233 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.177 0.054 23.306 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.785 0.571 25.693 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.272 0.174 24.845 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.664 1.869 25.220 1.00 0.00 H new ATOM 28 N ASP A 3 -11.119 1.573 23.171 1.00 0.00 N ATOM 29 CA ASP A 3 -12.337 2.381 23.215 1.00 0.00 C ATOM 30 C ASP A 3 -12.146 3.717 22.502 1.00 0.00 C ATOM 31 O ASP A 3 -12.997 4.603 22.593 1.00 0.00 O ATOM 32 CB ASP A 3 -12.768 2.619 24.664 1.00 0.00 C ATOM 33 CG ASP A 3 -13.112 1.331 25.384 1.00 0.00 C ATOM 34 OD1 ASP A 3 -12.191 0.697 25.941 1.00 0.00 O ATOM 35 OD2 ASP A 3 -14.304 0.955 25.392 1.00 0.00 O ATOM 0 H ASP A 3 -11.227 0.680 22.691 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.119 1.828 22.695 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.967 3.128 25.199 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.633 3.282 24.679 1.00 0.00 H new ATOM 40 N GLU A 4 -11.032 3.856 21.789 1.00 0.00 N ATOM 41 CA GLU A 4 -10.743 5.086 21.060 1.00 0.00 C ATOM 42 C GLU A 4 -11.323 5.030 19.652 1.00 0.00 C ATOM 43 O GLU A 4 -12.092 5.904 19.251 1.00 0.00 O ATOM 44 CB GLU A 4 -9.234 5.329 20.998 1.00 0.00 C ATOM 45 CG GLU A 4 -8.606 5.597 22.356 1.00 0.00 C ATOM 46 CD GLU A 4 -7.121 5.884 22.267 1.00 0.00 C ATOM 47 OE1 GLU A 4 -6.754 7.058 22.053 1.00 0.00 O ATOM 48 OE2 GLU A 4 -6.322 4.934 22.412 1.00 0.00 O ATOM 0 H GLU A 4 -10.317 3.134 21.701 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.211 5.913 21.593 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.752 4.460 20.549 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.037 6.177 20.342 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.108 6.444 22.823 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.767 4.735 23.003 1.00 0.00 H new ATOM 55 N ASN A 5 -10.950 3.997 18.905 1.00 0.00 N ATOM 56 CA ASN A 5 -11.440 3.822 17.542 1.00 0.00 C ATOM 57 C ASN A 5 -12.562 2.791 17.504 1.00 0.00 C ATOM 58 O ASN A 5 -12.313 1.589 17.404 1.00 0.00 O ATOM 59 CB ASN A 5 -10.301 3.395 16.613 1.00 0.00 C ATOM 60 CG ASN A 5 -9.219 4.453 16.500 1.00 0.00 C ATOM 61 OD1 ASN A 5 -8.956 5.194 17.448 1.00 0.00 O ATOM 62 ND2 ASN A 5 -8.586 4.530 15.335 1.00 0.00 N ATOM 0 H ASN A 5 -10.310 3.268 19.220 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.833 4.778 17.196 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.862 2.468 16.983 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.704 3.184 15.622 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.850 5.223 15.199 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.836 3.896 14.576 1.00 0.00 H new ATOM 69 N LYS A 6 -13.799 3.270 17.592 1.00 0.00 N ATOM 70 CA LYS A 6 -14.964 2.394 17.572 1.00 0.00 C ATOM 71 C LYS A 6 -15.126 1.738 16.205 1.00 0.00 C ATOM 72 O LYS A 6 -14.921 0.533 16.057 1.00 0.00 O ATOM 73 CB LYS A 6 -16.225 3.183 17.931 1.00 0.00 C ATOM 74 CG LYS A 6 -17.469 2.319 18.064 1.00 0.00 C ATOM 75 CD LYS A 6 -18.659 3.122 18.569 1.00 0.00 C ATOM 76 CE LYS A 6 -18.437 3.617 19.990 1.00 0.00 C ATOM 77 NZ LYS A 6 -19.613 4.369 20.508 1.00 0.00 N ATOM 0 H LYS A 6 -14.020 4.262 17.678 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.814 1.609 18.313 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.058 3.711 18.870 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.399 3.940 17.166 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.711 1.878 17.097 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.269 1.495 18.749 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.831 3.973 17.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.557 2.505 18.534 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.234 2.768 20.642 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.556 4.258 20.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.421 4.689 21.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.792 5.194 19.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.449 3.750 20.507 1.00 0.00 H new ATOM 91 N TRP A 7 -15.496 2.536 15.210 1.00 0.00 N ATOM 92 CA TRP A 7 -15.677 2.030 13.854 1.00 0.00 C ATOM 93 C TRP A 7 -14.328 1.711 13.219 1.00 0.00 C ATOM 94 O TRP A 7 -13.732 2.552 12.547 1.00 0.00 O ATOM 95 CB TRP A 7 -16.433 3.052 13.001 1.00 0.00 C ATOM 96 CG TRP A 7 -17.834 3.303 13.470 1.00 0.00 C ATOM 97 CD1 TRP A 7 -18.215 3.917 14.630 1.00 0.00 C ATOM 98 CD2 TRP A 7 -19.044 2.948 12.789 1.00 0.00 C ATOM 99 NE1 TRP A 7 -19.586 3.961 14.712 1.00 0.00 N ATOM 100 CE2 TRP A 7 -20.118 3.374 13.594 1.00 0.00 C ATOM 101 CE3 TRP A 7 -19.323 2.309 11.578 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -21.446 3.183 13.225 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -20.643 2.121 11.213 1.00 0.00 C ATOM 104 CH2 TRP A 7 -21.690 2.557 12.034 1.00 0.00 C ATOM 0 H TRP A 7 -15.676 3.534 15.316 1.00 0.00 H new ATOM 0 HA TRP A 7 -16.264 1.113 13.904 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -15.883 3.993 13.004 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -16.461 2.702 11.969 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -17.538 4.310 15.374 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -20.121 4.365 15.481 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -18.522 1.968 10.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -22.255 3.517 13.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -20.871 1.629 10.279 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -22.711 2.396 11.720 1.00 0.00 H new ATOM 115 N VAL A 8 -13.850 0.491 13.444 1.00 0.00 N ATOM 116 CA VAL A 8 -12.566 0.060 12.903 1.00 0.00 C ATOM 117 C VAL A 8 -12.716 -1.202 12.060 1.00 0.00 C ATOM 118 O VAL A 8 -11.924 -1.448 11.151 1.00 0.00 O ATOM 119 CB VAL A 8 -11.545 -0.198 14.030 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.977 -1.376 14.892 1.00 0.00 C ATOM 121 CG2 VAL A 8 -10.157 -0.428 13.455 1.00 0.00 C ATOM 0 H VAL A 8 -14.333 -0.217 13.998 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.200 0.868 12.269 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.507 0.688 14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.242 -1.539 15.680 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.948 -1.163 15.340 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.051 -2.271 14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.452 -0.608 14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.176 -1.293 12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.846 0.452 12.893 1.00 0.00 H new ATOM 131 N ARG A 9 -13.734 -2.001 12.366 1.00 0.00 N ATOM 132 CA ARG A 9 -13.978 -3.236 11.629 1.00 0.00 C ATOM 133 C ARG A 9 -15.466 -3.521 11.512 1.00 0.00 C ATOM 134 O ARG A 9 -15.907 -4.174 10.567 1.00 0.00 O ATOM 135 CB ARG A 9 -13.265 -4.410 12.303 1.00 0.00 C ATOM 136 CG ARG A 9 -13.613 -4.570 13.775 1.00 0.00 C ATOM 137 CD ARG A 9 -12.850 -5.725 14.407 1.00 0.00 C ATOM 138 NE ARG A 9 -11.405 -5.564 14.276 1.00 0.00 N ATOM 139 CZ ARG A 9 -10.516 -6.253 14.987 1.00 0.00 C ATOM 140 NH1 ARG A 9 -10.924 -7.145 15.881 1.00 0.00 N ATOM 141 NH2 ARG A 9 -9.219 -6.050 14.805 1.00 0.00 N ATOM 0 H ARG A 9 -14.400 -1.816 13.116 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.577 -3.111 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.519 -5.330 11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.188 -4.274 12.206 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.383 -3.647 14.307 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.685 -4.740 13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.112 -5.798 15.462 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.154 -6.660 13.937 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.057 -4.884 13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.921 -7.304 16.024 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.240 -7.672 16.425 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.901 -5.365 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.539 -6.579 15.351 1.00 0.00 H new ATOM 155 N ARG A 10 -16.239 -3.036 12.475 1.00 0.00 N ATOM 156 CA ARG A 10 -17.680 -3.232 12.448 1.00 0.00 C ATOM 157 C ARG A 10 -18.256 -2.633 11.173 1.00 0.00 C ATOM 158 O ARG A 10 -17.849 -1.549 10.758 1.00 0.00 O ATOM 159 CB ARG A 10 -18.332 -2.590 13.675 1.00 0.00 C ATOM 160 CG ARG A 10 -18.097 -3.361 14.965 1.00 0.00 C ATOM 161 CD ARG A 10 -19.161 -4.426 15.186 1.00 0.00 C ATOM 162 NE ARG A 10 -19.320 -5.301 14.027 1.00 0.00 N ATOM 163 CZ ARG A 10 -19.719 -6.566 14.106 1.00 0.00 C ATOM 164 NH1 ARG A 10 -19.997 -7.108 15.284 1.00 0.00 N ATOM 165 NH2 ARG A 10 -19.844 -7.292 13.002 1.00 0.00 N ATOM 0 H ARG A 10 -15.895 -2.509 13.277 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.890 -4.301 12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.947 -1.577 13.792 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -19.405 -2.505 13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.114 -3.830 14.935 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.094 -2.669 15.807 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.896 -5.025 16.057 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.113 -3.944 15.408 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.113 -4.919 13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.905 -6.553 16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.303 -8.079 15.339 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.634 -6.879 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.150 -8.263 13.062 1.00 0.00 H new ATOM 179 N ASP A 11 -19.185 -3.354 10.548 1.00 0.00 N ATOM 180 CA ASP A 11 -19.817 -2.891 9.314 1.00 0.00 C ATOM 181 C ASP A 11 -18.828 -2.878 8.152 1.00 0.00 C ATOM 182 O ASP A 11 -19.171 -2.468 7.042 1.00 0.00 O ATOM 183 CB ASP A 11 -20.392 -1.489 9.509 1.00 0.00 C ATOM 184 CG ASP A 11 -21.567 -1.470 10.467 1.00 0.00 C ATOM 185 OD1 ASP A 11 -22.716 -1.630 10.001 1.00 0.00 O ATOM 186 OD2 ASP A 11 -21.340 -1.297 11.683 1.00 0.00 O ATOM 0 H ASP A 11 -19.517 -4.261 10.876 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.621 -3.587 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -19.611 -0.829 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -20.708 -1.092 8.544 1.00 0.00 H new ATOM 191 N VAL A 12 -17.604 -3.329 8.405 1.00 0.00 N ATOM 192 CA VAL A 12 -16.573 -3.353 7.374 1.00 0.00 C ATOM 193 C VAL A 12 -16.203 -4.781 6.985 1.00 0.00 C ATOM 194 O VAL A 12 -15.916 -5.618 7.842 1.00 0.00 O ATOM 195 CB VAL A 12 -15.304 -2.606 7.829 1.00 0.00 C ATOM 196 CG1 VAL A 12 -14.271 -2.569 6.712 1.00 0.00 C ATOM 197 CG2 VAL A 12 -15.653 -1.199 8.290 1.00 0.00 C ATOM 0 H VAL A 12 -17.302 -3.682 9.313 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.991 -2.847 6.504 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.870 -3.145 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.383 -2.037 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.999 -3.587 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.690 -2.056 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.746 -0.685 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.112 -0.650 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.352 -1.252 9.125 1.00 0.00 H new ATOM 207 N SER A 13 -16.213 -5.049 5.682 1.00 0.00 N ATOM 208 CA SER A 13 -15.877 -6.369 5.160 1.00 0.00 C ATOM 209 C SER A 13 -15.530 -6.282 3.677 1.00 0.00 C ATOM 210 O SER A 13 -14.390 -6.522 3.280 1.00 0.00 O ATOM 211 CB SER A 13 -17.041 -7.338 5.373 1.00 0.00 C ATOM 212 OG SER A 13 -16.755 -8.608 4.814 1.00 0.00 O ATOM 0 H SER A 13 -16.452 -4.364 4.965 1.00 0.00 H new ATOM 0 HA SER A 13 -15.007 -6.743 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.241 -7.443 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.944 -6.932 4.918 1.00 0.00 H new ATOM 0 HG SER A 13 -17.513 -9.210 4.965 1.00 0.00 H new ATOM 218 N THR A 14 -16.524 -5.938 2.863 1.00 0.00 N ATOM 219 CA THR A 14 -16.328 -5.806 1.425 1.00 0.00 C ATOM 220 C THR A 14 -16.198 -4.338 1.031 1.00 0.00 C ATOM 221 O THR A 14 -16.242 -3.993 -0.150 1.00 0.00 O ATOM 222 CB THR A 14 -17.490 -6.439 0.636 1.00 0.00 C ATOM 223 OG1 THR A 14 -18.739 -5.906 1.091 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.490 -7.952 0.795 1.00 0.00 C ATOM 0 H THR A 14 -17.475 -5.745 3.177 1.00 0.00 H new ATOM 0 HA THR A 14 -15.407 -6.334 1.177 1.00 0.00 H new ATOM 0 HB THR A 14 -17.357 -6.200 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 14 -19.472 -6.312 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 14 -18.319 -8.377 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.550 -8.357 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.601 -8.207 1.849 1.00 0.00 H new ATOM 232 N ALA A 15 -16.034 -3.483 2.035 1.00 0.00 N ATOM 233 CA ALA A 15 -15.898 -2.049 1.812 1.00 0.00 C ATOM 234 C ALA A 15 -14.447 -1.671 1.529 1.00 0.00 C ATOM 235 O ALA A 15 -14.137 -0.502 1.294 1.00 0.00 O ATOM 236 CB ALA A 15 -16.422 -1.277 3.012 1.00 0.00 C ATOM 0 H ALA A 15 -15.992 -3.761 3.016 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.491 -1.785 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.314 -0.207 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.474 -1.515 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.853 -1.554 3.900 1.00 0.00 H new ATOM 242 N LEU A 16 -13.562 -2.665 1.566 1.00 0.00 N ATOM 243 CA LEU A 16 -12.138 -2.445 1.319 1.00 0.00 C ATOM 244 C LEU A 16 -11.903 -1.674 0.022 1.00 0.00 C ATOM 245 O LEU A 16 -10.815 -1.142 -0.202 1.00 0.00 O ATOM 246 CB LEU A 16 -11.384 -3.779 1.274 1.00 0.00 C ATOM 247 CG LEU A 16 -11.689 -4.668 0.063 1.00 0.00 C ATOM 248 CD1 LEU A 16 -10.635 -5.756 -0.075 1.00 0.00 C ATOM 249 CD2 LEU A 16 -13.074 -5.286 0.182 1.00 0.00 C ATOM 0 H LEU A 16 -13.807 -3.635 1.766 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.756 -1.845 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.314 -3.572 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.615 -4.338 2.181 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.668 -4.045 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.866 -6.379 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.655 -5.298 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.628 -6.372 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.269 -5.913 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.125 -5.894 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.822 -4.495 0.234 1.00 0.00 H new ATOM 261 N SER A 17 -12.923 -1.623 -0.831 1.00 0.00 N ATOM 262 CA SER A 17 -12.828 -0.913 -2.102 1.00 0.00 C ATOM 263 C SER A 17 -12.302 0.500 -1.900 1.00 0.00 C ATOM 264 O SER A 17 -11.490 0.984 -2.688 1.00 0.00 O ATOM 265 CB SER A 17 -14.191 -0.872 -2.792 1.00 0.00 C ATOM 266 OG SER A 17 -14.118 -0.170 -4.022 1.00 0.00 O ATOM 0 H SER A 17 -13.826 -2.066 -0.664 1.00 0.00 H new ATOM 0 HA SER A 17 -12.125 -1.452 -2.737 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.543 -1.888 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.919 -0.392 -2.138 1.00 0.00 H new ATOM 0 HG SER A 17 -15.002 -0.159 -4.445 1.00 0.00 H new ATOM 272 N ARG A 18 -12.763 1.156 -0.839 1.00 0.00 N ATOM 273 CA ARG A 18 -12.331 2.516 -0.547 1.00 0.00 C ATOM 274 C ARG A 18 -12.910 3.011 0.776 1.00 0.00 C ATOM 275 O ARG A 18 -14.035 3.508 0.826 1.00 0.00 O ATOM 276 CB ARG A 18 -12.751 3.450 -1.682 1.00 0.00 C ATOM 277 CG ARG A 18 -12.093 4.815 -1.626 1.00 0.00 C ATOM 278 CD ARG A 18 -10.581 4.716 -1.749 1.00 0.00 C ATOM 279 NE ARG A 18 -9.943 6.029 -1.737 1.00 0.00 N ATOM 280 CZ ARG A 18 -8.694 6.245 -2.141 1.00 0.00 C ATOM 281 NH1 ARG A 18 -7.954 5.239 -2.589 1.00 0.00 N ATOM 282 NH2 ARG A 18 -8.185 7.469 -2.099 1.00 0.00 N ATOM 0 H ARG A 18 -13.431 0.770 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.244 2.514 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.510 2.980 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.833 3.577 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.483 5.440 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.350 5.305 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.189 4.115 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.326 4.198 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.485 6.825 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.342 4.296 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.997 5.408 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.751 8.245 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.227 7.634 -2.409 1.00 0.00 H new ATOM 296 N MET A 19 -12.135 2.865 1.848 1.00 0.00 N ATOM 297 CA MET A 19 -12.565 3.305 3.171 1.00 0.00 C ATOM 298 C MET A 19 -11.461 4.087 3.875 1.00 0.00 C ATOM 299 O MET A 19 -11.718 5.122 4.490 1.00 0.00 O ATOM 300 CB MET A 19 -12.983 2.105 4.023 1.00 0.00 C ATOM 301 CG MET A 19 -14.416 1.662 3.780 1.00 0.00 C ATOM 302 SD MET A 19 -15.617 2.909 4.285 1.00 0.00 S ATOM 303 CE MET A 19 -17.147 2.152 3.744 1.00 0.00 C ATOM 0 H MET A 19 -11.206 2.445 1.825 1.00 0.00 H new ATOM 0 HA MET A 19 -13.423 3.965 3.042 1.00 0.00 H new ATOM 0 HB2 MET A 19 -12.313 1.271 3.816 1.00 0.00 H new ATOM 0 HB3 MET A 19 -12.862 2.357 5.077 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.550 1.440 2.721 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.605 0.738 4.326 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.968 2.857 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.066 1.879 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.340 1.258 4.337 1.00 0.00 H new ATOM 313 N GLY A 20 -10.232 3.587 3.780 1.00 0.00 N ATOM 314 CA GLY A 20 -9.110 4.254 4.413 1.00 0.00 C ATOM 315 C GLY A 20 -8.387 3.364 5.407 1.00 0.00 C ATOM 316 O GLY A 20 -7.606 2.495 5.018 1.00 0.00 O ATOM 0 H GLY A 20 -9.994 2.733 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.408 4.582 3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.465 5.149 4.924 1.00 0.00 H new ATOM 320 N ASP A 21 -8.647 3.582 6.692 1.00 0.00 N ATOM 321 CA ASP A 21 -8.017 2.797 7.748 1.00 0.00 C ATOM 322 C ASP A 21 -8.978 1.756 8.311 1.00 0.00 C ATOM 323 O ASP A 21 -8.557 0.714 8.814 1.00 0.00 O ATOM 324 CB ASP A 21 -7.534 3.714 8.873 1.00 0.00 C ATOM 325 CG ASP A 21 -8.620 4.656 9.356 1.00 0.00 C ATOM 326 OD1 ASP A 21 -8.741 5.763 8.790 1.00 0.00 O ATOM 327 OD2 ASP A 21 -9.349 4.287 10.300 1.00 0.00 O ATOM 0 H ASP A 21 -9.291 4.298 7.028 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.164 2.277 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.185 3.107 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.681 4.296 8.523 1.00 0.00 H new ATOM 332 N GLU A 22 -10.271 2.046 8.222 1.00 0.00 N ATOM 333 CA GLU A 22 -11.298 1.143 8.731 1.00 0.00 C ATOM 334 C GLU A 22 -11.273 -0.198 8.003 1.00 0.00 C ATOM 335 O GLU A 22 -11.583 -1.236 8.587 1.00 0.00 O ATOM 336 CB GLU A 22 -12.680 1.782 8.589 1.00 0.00 C ATOM 337 CG GLU A 22 -12.795 3.135 9.269 1.00 0.00 C ATOM 338 CD GLU A 22 -14.189 3.720 9.166 1.00 0.00 C ATOM 339 OE1 GLU A 22 -14.538 4.237 8.084 1.00 0.00 O ATOM 340 OE2 GLU A 22 -14.932 3.664 10.168 1.00 0.00 O ATOM 0 H GLU A 22 -10.634 2.901 7.801 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.087 0.962 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.912 1.896 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.428 1.109 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.524 3.034 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.081 3.825 8.820 1.00 0.00 H new ATOM 347 N ALA A 23 -10.905 -0.171 6.729 1.00 0.00 N ATOM 348 CA ALA A 23 -10.856 -1.387 5.926 1.00 0.00 C ATOM 349 C ALA A 23 -9.421 -1.851 5.696 1.00 0.00 C ATOM 350 O ALA A 23 -9.185 -2.859 5.029 1.00 0.00 O ATOM 351 CB ALA A 23 -11.559 -1.158 4.599 1.00 0.00 C ATOM 0 H ALA A 23 -10.637 0.677 6.230 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.371 -2.176 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.519 -2.070 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.599 -0.888 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.064 -0.351 4.059 1.00 0.00 H new ATOM 357 N PHE A 24 -8.466 -1.115 6.252 1.00 0.00 N ATOM 358 CA PHE A 24 -7.056 -1.451 6.106 1.00 0.00 C ATOM 359 C PHE A 24 -6.724 -2.798 6.746 1.00 0.00 C ATOM 360 O PHE A 24 -6.075 -3.640 6.129 1.00 0.00 O ATOM 361 CB PHE A 24 -6.189 -0.360 6.723 1.00 0.00 C ATOM 362 CG PHE A 24 -4.831 -0.265 6.096 1.00 0.00 C ATOM 363 CD1 PHE A 24 -3.888 -1.258 6.302 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.498 0.814 5.297 1.00 0.00 C ATOM 365 CE1 PHE A 24 -2.640 -1.175 5.722 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.252 0.903 4.717 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.321 -0.092 4.929 1.00 0.00 C ATOM 0 H PHE A 24 -8.644 -0.280 6.809 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.846 -1.526 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.697 0.599 6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.078 -0.552 7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.133 -2.107 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.223 1.596 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.913 -1.956 5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.004 1.752 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.344 -0.024 4.475 1.00 0.00 H new ATOM 377 N GLU A 25 -7.162 -2.997 7.985 1.00 0.00 N ATOM 378 CA GLU A 25 -6.886 -4.245 8.700 1.00 0.00 C ATOM 379 C GLU A 25 -7.524 -5.461 8.025 1.00 0.00 C ATOM 380 O GLU A 25 -6.843 -6.460 7.820 1.00 0.00 O ATOM 381 CB GLU A 25 -7.340 -4.179 10.153 1.00 0.00 C ATOM 382 CG GLU A 25 -8.050 -2.891 10.537 1.00 0.00 C ATOM 383 CD GLU A 25 -8.347 -2.812 12.020 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.333 -3.438 12.463 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.592 -2.127 12.742 1.00 0.00 O ATOM 0 H GLU A 25 -7.707 -2.317 8.515 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.803 -4.366 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.007 -5.018 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.470 -4.305 10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.434 -2.040 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.983 -2.814 9.978 1.00 0.00 H new ATOM 392 N PRO A 26 -8.840 -5.419 7.695 1.00 0.00 N ATOM 393 CA PRO A 26 -9.518 -6.543 7.035 1.00 0.00 C ATOM 394 C PRO A 26 -8.654 -7.159 5.941 1.00 0.00 C ATOM 395 O PRO A 26 -8.810 -8.327 5.582 1.00 0.00 O ATOM 396 CB PRO A 26 -10.762 -5.889 6.441 1.00 0.00 C ATOM 397 CG PRO A 26 -11.084 -4.782 7.385 1.00 0.00 C ATOM 398 CD PRO A 26 -9.767 -4.296 7.941 1.00 0.00 C ATOM 0 HA PRO A 26 -9.739 -7.363 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.572 -5.512 5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.586 -6.598 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.610 -3.976 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.737 -5.132 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.434 -3.386 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.843 -4.066 9.004 1.00 0.00 H new ATOM 406 N LEU A 27 -7.743 -6.349 5.422 1.00 0.00 N ATOM 407 CA LEU A 27 -6.812 -6.772 4.390 1.00 0.00 C ATOM 408 C LEU A 27 -5.710 -7.632 4.998 1.00 0.00 C ATOM 409 O LEU A 27 -5.443 -8.744 4.545 1.00 0.00 O ATOM 410 CB LEU A 27 -6.202 -5.537 3.740 1.00 0.00 C ATOM 411 CG LEU A 27 -7.165 -4.704 2.893 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.601 -3.311 2.662 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.442 -5.394 1.565 1.00 0.00 C ATOM 0 H LEU A 27 -7.630 -5.376 5.707 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.341 -7.362 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.789 -4.901 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.369 -5.851 3.111 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.106 -4.610 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.299 -2.732 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.453 -2.815 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.646 -3.387 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.129 -4.787 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.508 -5.519 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.888 -6.371 1.749 1.00 0.00 H new ATOM 425 N LEU A 28 -5.073 -7.089 6.033 1.00 0.00 N ATOM 426 CA LEU A 28 -3.997 -7.776 6.737 1.00 0.00 C ATOM 427 C LEU A 28 -4.526 -9.002 7.476 1.00 0.00 C ATOM 428 O LEU A 28 -3.783 -9.947 7.746 1.00 0.00 O ATOM 429 CB LEU A 28 -3.330 -6.809 7.723 1.00 0.00 C ATOM 430 CG LEU A 28 -2.414 -7.449 8.770 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.254 -8.171 8.103 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.899 -6.397 9.740 1.00 0.00 C ATOM 0 H LEU A 28 -5.288 -6.164 6.405 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.261 -8.114 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.748 -6.084 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.111 -6.254 8.242 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.995 -8.182 9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.617 -8.618 8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.640 -8.953 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.673 -7.460 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.250 -6.869 10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.337 -5.641 9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.741 -5.926 10.247 1.00 0.00 H new ATOM 444 N GLU A 29 -5.817 -8.982 7.793 1.00 0.00 N ATOM 445 CA GLU A 29 -6.448 -10.089 8.499 1.00 0.00 C ATOM 446 C GLU A 29 -6.691 -11.259 7.552 1.00 0.00 C ATOM 447 O GLU A 29 -6.456 -12.416 7.904 1.00 0.00 O ATOM 448 CB GLU A 29 -7.770 -9.639 9.123 1.00 0.00 C ATOM 449 CG GLU A 29 -7.600 -8.651 10.267 1.00 0.00 C ATOM 450 CD GLU A 29 -6.853 -9.246 11.446 1.00 0.00 C ATOM 451 OE1 GLU A 29 -5.605 -9.187 11.447 1.00 0.00 O ATOM 452 OE2 GLU A 29 -7.515 -9.771 12.365 1.00 0.00 O ATOM 0 H GLU A 29 -6.446 -8.210 7.571 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.776 -10.415 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.390 -9.184 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.307 -10.515 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.063 -7.773 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.582 -8.311 10.598 1.00 0.00 H new ATOM 459 N SER A 30 -7.161 -10.944 6.348 1.00 0.00 N ATOM 460 CA SER A 30 -7.435 -11.962 5.341 1.00 0.00 C ATOM 461 C SER A 30 -6.145 -12.635 4.879 1.00 0.00 C ATOM 462 O SER A 30 -6.181 -13.652 4.188 1.00 0.00 O ATOM 463 CB SER A 30 -8.160 -11.344 4.144 1.00 0.00 C ATOM 464 OG SER A 30 -9.392 -10.766 4.538 1.00 0.00 O ATOM 0 H SER A 30 -7.360 -9.990 6.047 1.00 0.00 H new ATOM 0 HA SER A 30 -8.075 -12.720 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.528 -10.584 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.339 -12.109 3.388 1.00 0.00 H new ATOM 0 HG SER A 30 -9.224 -9.909 4.982 1.00 0.00 H new ATOM 470 N LEU A 31 -5.008 -12.060 5.263 1.00 0.00 N ATOM 471 CA LEU A 31 -3.711 -12.612 4.885 1.00 0.00 C ATOM 472 C LEU A 31 -3.472 -13.960 5.555 1.00 0.00 C ATOM 473 O LEU A 31 -2.519 -14.667 5.226 1.00 0.00 O ATOM 474 CB LEU A 31 -2.580 -11.642 5.247 1.00 0.00 C ATOM 475 CG LEU A 31 -2.580 -10.309 4.491 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.307 -9.533 4.789 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.723 -10.532 2.991 1.00 0.00 C ATOM 0 H LEU A 31 -4.959 -11.216 5.833 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.718 -12.758 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.634 -11.433 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.627 -12.140 5.067 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.436 -9.726 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.321 -8.588 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.244 -9.335 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.442 -10.119 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.720 -9.570 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.890 -11.137 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.661 -11.049 2.788 1.00 0.00 H new ATOM 489 N SER A 32 -4.336 -14.310 6.501 1.00 0.00 N ATOM 490 CA SER A 32 -4.219 -15.579 7.210 1.00 0.00 C ATOM 491 C SER A 32 -5.193 -16.603 6.637 1.00 0.00 C ATOM 492 O SER A 32 -5.445 -17.644 7.244 1.00 0.00 O ATOM 493 CB SER A 32 -4.481 -15.382 8.704 1.00 0.00 C ATOM 494 OG SER A 32 -4.223 -16.573 9.428 1.00 0.00 O ATOM 0 H SER A 32 -5.125 -13.733 6.795 1.00 0.00 H new ATOM 0 HA SER A 32 -3.203 -15.953 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.851 -14.578 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.516 -15.076 8.858 1.00 0.00 H new ATOM 0 HG SER A 32 -4.572 -17.341 8.929 1.00 0.00 H new ATOM 500 N ASN A 33 -5.735 -16.299 5.461 1.00 0.00 N ATOM 501 CA ASN A 33 -6.684 -17.187 4.799 1.00 0.00 C ATOM 502 C ASN A 33 -5.993 -18.460 4.321 1.00 0.00 C ATOM 503 O ASN A 33 -4.804 -18.450 3.999 1.00 0.00 O ATOM 504 CB ASN A 33 -7.336 -16.472 3.613 1.00 0.00 C ATOM 505 CG ASN A 33 -8.600 -17.163 3.144 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.550 -18.105 2.353 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.744 -16.691 3.623 1.00 0.00 N ATOM 0 H ASN A 33 -5.532 -15.442 4.946 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.454 -17.461 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.570 -15.446 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.626 -16.421 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.629 -17.111 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.739 -15.908 4.277 1.00 0.00 H new ATOM 514 N GLU A 34 -6.744 -19.557 4.279 1.00 0.00 N ATOM 515 CA GLU A 34 -6.204 -20.840 3.839 1.00 0.00 C ATOM 516 C GLU A 34 -5.756 -20.775 2.382 1.00 0.00 C ATOM 517 O GLU A 34 -4.727 -21.341 2.014 1.00 0.00 O ATOM 518 CB GLU A 34 -7.249 -21.944 4.016 1.00 0.00 C ATOM 519 CG GLU A 34 -8.573 -21.644 3.335 1.00 0.00 C ATOM 520 CD GLU A 34 -9.567 -22.781 3.467 1.00 0.00 C ATOM 521 OE1 GLU A 34 -10.256 -22.850 4.505 1.00 0.00 O ATOM 522 OE2 GLU A 34 -9.654 -23.603 2.531 1.00 0.00 O ATOM 0 H GLU A 34 -7.729 -19.583 4.544 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.335 -21.069 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.850 -22.877 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.425 -22.099 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.002 -20.739 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.396 -21.441 2.279 1.00 0.00 H new ATOM 529 N ASP A 35 -6.535 -20.082 1.557 1.00 0.00 N ATOM 530 CA ASP A 35 -6.220 -19.946 0.140 1.00 0.00 C ATOM 531 C ASP A 35 -5.092 -18.941 -0.070 1.00 0.00 C ATOM 532 O ASP A 35 -4.860 -18.070 0.769 1.00 0.00 O ATOM 533 CB ASP A 35 -7.461 -19.508 -0.641 1.00 0.00 C ATOM 534 CG ASP A 35 -8.656 -20.402 -0.375 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.408 -20.118 0.581 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.838 -21.387 -1.120 1.00 0.00 O ATOM 0 H ASP A 35 -7.389 -19.606 1.846 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.892 -20.918 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.712 -18.482 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.237 -19.514 -1.708 1.00 0.00 H new ATOM 541 N TRP A 36 -4.397 -19.067 -1.196 1.00 0.00 N ATOM 542 CA TRP A 36 -3.293 -18.171 -1.519 1.00 0.00 C ATOM 543 C TRP A 36 -3.744 -17.094 -2.498 1.00 0.00 C ATOM 544 O TRP A 36 -3.261 -15.962 -2.461 1.00 0.00 O ATOM 545 CB TRP A 36 -2.127 -18.967 -2.112 1.00 0.00 C ATOM 546 CG TRP A 36 -1.797 -20.202 -1.328 1.00 0.00 C ATOM 547 CD1 TRP A 36 -1.846 -20.345 0.028 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.370 -21.464 -1.851 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.476 -21.620 0.380 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.179 -22.326 -0.754 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.131 -21.951 -3.138 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.760 -23.644 -0.905 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.715 -23.261 -3.288 1.00 0.00 C ATOM 554 CH2 TRP A 36 -0.534 -24.094 -2.176 1.00 0.00 C ATOM 0 H TRP A 36 -4.579 -19.782 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.962 -17.685 -0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.371 -19.249 -3.136 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.245 -18.328 -2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.133 -19.570 0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.430 -21.982 1.332 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.269 -21.316 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.618 -24.288 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.527 -23.648 -4.278 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.209 -25.113 -2.326 1.00 0.00 H new ATOM 565 N ARG A 37 -4.671 -17.459 -3.374 1.00 0.00 N ATOM 566 CA ARG A 37 -5.202 -16.535 -4.364 1.00 0.00 C ATOM 567 C ARG A 37 -5.964 -15.398 -3.692 1.00 0.00 C ATOM 568 O ARG A 37 -5.775 -14.228 -4.030 1.00 0.00 O ATOM 569 CB ARG A 37 -6.118 -17.278 -5.336 1.00 0.00 C ATOM 570 CG ARG A 37 -6.709 -16.386 -6.412 1.00 0.00 C ATOM 571 CD ARG A 37 -7.454 -17.194 -7.462 1.00 0.00 C ATOM 572 NE ARG A 37 -6.576 -18.138 -8.149 1.00 0.00 N ATOM 573 CZ ARG A 37 -6.808 -18.606 -9.372 1.00 0.00 C ATOM 574 NH1 ARG A 37 -7.885 -18.221 -10.042 1.00 0.00 N ATOM 575 NH2 ARG A 37 -5.960 -19.463 -9.927 1.00 0.00 N ATOM 0 H ARG A 37 -5.072 -18.396 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.366 -16.107 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.556 -18.082 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.929 -17.744 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.389 -15.666 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.913 -15.814 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.272 -17.738 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.901 -16.518 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.738 -18.456 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.540 -17.563 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.059 -18.583 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.130 -19.763 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.138 -19.822 -10.865 1.00 0.00 H new ATOM 589 N ILE A 38 -6.826 -15.748 -2.742 1.00 0.00 N ATOM 590 CA ILE A 38 -7.611 -14.754 -2.019 1.00 0.00 C ATOM 591 C ILE A 38 -6.698 -13.784 -1.280 1.00 0.00 C ATOM 592 O ILE A 38 -6.963 -12.581 -1.226 1.00 0.00 O ATOM 593 CB ILE A 38 -8.570 -15.417 -1.011 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.388 -16.514 -1.696 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.487 -14.372 -0.389 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.244 -17.321 -0.743 1.00 0.00 C ATOM 0 H ILE A 38 -6.998 -16.712 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.201 -14.210 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.981 -15.875 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.030 -16.059 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.709 -17.187 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.159 -14.854 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.887 -13.624 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.072 -13.889 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.794 -18.079 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.607 -17.806 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.948 -16.660 -0.238 1.00 0.00 H new ATOM 608 N ARG A 39 -5.621 -14.317 -0.712 1.00 0.00 N ATOM 609 CA ARG A 39 -4.656 -13.504 0.017 1.00 0.00 C ATOM 610 C ARG A 39 -3.986 -12.508 -0.922 1.00 0.00 C ATOM 611 O ARG A 39 -3.440 -11.493 -0.487 1.00 0.00 O ATOM 612 CB ARG A 39 -3.599 -14.400 0.670 1.00 0.00 C ATOM 613 CG ARG A 39 -2.537 -13.634 1.442 1.00 0.00 C ATOM 614 CD ARG A 39 -1.450 -14.559 1.964 1.00 0.00 C ATOM 615 NE ARG A 39 -1.990 -15.618 2.812 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.281 -16.664 3.229 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.009 -16.790 2.874 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.843 -17.582 4.003 1.00 0.00 N ATOM 0 H ARG A 39 -5.395 -15.311 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.183 -12.952 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.094 -15.097 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.114 -14.996 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.092 -12.877 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.001 -13.109 2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.919 -15.004 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.721 -13.978 2.530 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.966 -15.552 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.427 -16.084 2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.533 -17.592 3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.820 -17.487 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.298 -18.383 4.322 1.00 0.00 H new ATOM 632 N GLY A 40 -4.036 -12.808 -2.216 1.00 0.00 N ATOM 633 CA GLY A 40 -3.431 -11.941 -3.208 1.00 0.00 C ATOM 634 C GLY A 40 -4.102 -10.584 -3.289 1.00 0.00 C ATOM 635 O GLY A 40 -3.452 -9.559 -3.109 1.00 0.00 O ATOM 0 H GLY A 40 -4.487 -13.640 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.376 -11.806 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.479 -12.424 -4.184 1.00 0.00 H new ATOM 639 N ALA A 41 -5.407 -10.583 -3.557 1.00 0.00 N ATOM 640 CA ALA A 41 -6.173 -9.344 -3.671 1.00 0.00 C ATOM 641 C ALA A 41 -5.853 -8.375 -2.535 1.00 0.00 C ATOM 642 O ALA A 41 -5.810 -7.161 -2.740 1.00 0.00 O ATOM 643 CB ALA A 41 -7.664 -9.650 -3.697 1.00 0.00 C ATOM 0 H ALA A 41 -5.957 -11.430 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.888 -8.862 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.225 -8.719 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.889 -10.289 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.947 -10.161 -2.777 1.00 0.00 H new ATOM 649 N ALA A 42 -5.626 -8.912 -1.341 1.00 0.00 N ATOM 650 CA ALA A 42 -5.303 -8.083 -0.185 1.00 0.00 C ATOM 651 C ALA A 42 -3.940 -7.422 -0.360 1.00 0.00 C ATOM 652 O ALA A 42 -3.801 -6.211 -0.204 1.00 0.00 O ATOM 653 CB ALA A 42 -5.332 -8.916 1.088 1.00 0.00 C ATOM 0 H ALA A 42 -5.659 -9.913 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.055 -7.298 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.089 -8.284 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.327 -9.341 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.601 -9.721 1.013 1.00 0.00 H new ATOM 659 N ALA A 43 -2.941 -8.233 -0.690 1.00 0.00 N ATOM 660 CA ALA A 43 -1.578 -7.751 -0.905 1.00 0.00 C ATOM 661 C ALA A 43 -1.515 -6.806 -2.100 1.00 0.00 C ATOM 662 O ALA A 43 -0.721 -5.865 -2.129 1.00 0.00 O ATOM 663 CB ALA A 43 -0.659 -8.934 -1.145 1.00 0.00 C ATOM 0 H ALA A 43 -3.050 -9.239 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.259 -7.204 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.358 -8.578 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.680 -9.593 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.994 -9.483 -2.025 1.00 0.00 H new ATOM 669 N TRP A 44 -2.366 -7.073 -3.083 1.00 0.00 N ATOM 670 CA TRP A 44 -2.417 -6.289 -4.310 1.00 0.00 C ATOM 671 C TRP A 44 -2.993 -4.891 -4.087 1.00 0.00 C ATOM 672 O TRP A 44 -2.582 -3.934 -4.744 1.00 0.00 O ATOM 673 CB TRP A 44 -3.246 -7.035 -5.360 1.00 0.00 C ATOM 674 CG TRP A 44 -2.448 -8.048 -6.124 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.815 -9.142 -5.612 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.195 -8.060 -7.534 1.00 0.00 C ATOM 677 NE1 TRP A 44 -1.174 -9.828 -6.614 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.394 -9.187 -7.803 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.565 -7.228 -8.595 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.957 -9.501 -9.086 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -2.133 -7.543 -9.870 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.335 -8.671 -10.106 1.00 0.00 C ATOM 0 H TRP A 44 -3.039 -7.838 -3.052 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.393 -6.161 -4.661 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -4.081 -7.534 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.672 -6.314 -6.058 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.817 -9.427 -4.570 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.623 -10.678 -6.492 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.177 -6.355 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.341 -10.369 -9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.415 -6.909 -10.698 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.012 -8.889 -11.113 1.00 0.00 H new ATOM 693 N ILE A 45 -3.944 -4.773 -3.165 1.00 0.00 N ATOM 694 CA ILE A 45 -4.585 -3.490 -2.893 1.00 0.00 C ATOM 695 C ILE A 45 -3.998 -2.799 -1.662 1.00 0.00 C ATOM 696 O ILE A 45 -4.146 -1.588 -1.494 1.00 0.00 O ATOM 697 CB ILE A 45 -6.107 -3.664 -2.702 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.705 -4.412 -3.898 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.783 -2.311 -2.526 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.180 -4.723 -3.750 1.00 0.00 C ATOM 0 H ILE A 45 -4.287 -5.547 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.395 -2.859 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.280 -4.251 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.558 -3.815 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.159 -5.345 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.855 -2.455 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.372 -1.810 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.606 -1.698 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.531 -5.253 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.334 -5.347 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.738 -3.794 -3.638 1.00 0.00 H new ATOM 712 N ILE A 46 -3.327 -3.564 -0.810 1.00 0.00 N ATOM 713 CA ILE A 46 -2.748 -3.013 0.411 1.00 0.00 C ATOM 714 C ILE A 46 -1.739 -1.901 0.116 1.00 0.00 C ATOM 715 O ILE A 46 -1.674 -0.908 0.843 1.00 0.00 O ATOM 716 CB ILE A 46 -2.084 -4.113 1.270 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.209 -3.757 2.751 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.624 -4.313 0.885 1.00 0.00 C ATOM 719 CD1 ILE A 46 -1.844 -4.892 3.681 1.00 0.00 C ATOM 0 H ILE A 46 -3.170 -4.563 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.574 -2.580 0.976 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.601 -5.054 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.568 -2.902 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.233 -3.446 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.187 -5.093 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.561 -4.607 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.078 -3.382 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.957 -4.566 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.502 -5.741 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.810 -5.189 3.505 1.00 0.00 H new ATOM 731 N GLY A 47 -0.958 -2.067 -0.947 1.00 0.00 N ATOM 732 CA GLY A 47 0.030 -1.063 -1.300 1.00 0.00 C ATOM 733 C GLY A 47 -0.590 0.157 -1.953 1.00 0.00 C ATOM 734 O GLY A 47 0.054 1.198 -2.080 1.00 0.00 O ATOM 0 H GLY A 47 -0.991 -2.875 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.569 -0.757 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.763 -1.501 -1.978 1.00 0.00 H new ATOM 738 N ASN A 48 -1.847 0.025 -2.367 1.00 0.00 N ATOM 739 CA ASN A 48 -2.558 1.120 -3.017 1.00 0.00 C ATOM 740 C ASN A 48 -2.884 2.232 -2.023 1.00 0.00 C ATOM 741 O ASN A 48 -3.229 3.345 -2.420 1.00 0.00 O ATOM 742 CB ASN A 48 -3.846 0.608 -3.668 1.00 0.00 C ATOM 743 CG ASN A 48 -3.592 -0.353 -4.819 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.552 -1.172 -4.702 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -4.332 -0.364 -5.802 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.394 -0.830 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.906 1.530 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.454 0.109 -2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.424 1.457 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.120 0.281 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.157 -1.018 -6.565 1.00 0.00 H new ATOM 752 N PHE A 49 -2.783 1.925 -0.730 1.00 0.00 N ATOM 753 CA PHE A 49 -3.073 2.905 0.313 1.00 0.00 C ATOM 754 C PHE A 49 -1.869 3.804 0.580 1.00 0.00 C ATOM 755 O PHE A 49 -2.018 4.914 1.093 1.00 0.00 O ATOM 756 CB PHE A 49 -3.488 2.197 1.602 1.00 0.00 C ATOM 757 CG PHE A 49 -4.801 1.477 1.499 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.869 0.211 0.945 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.967 2.069 1.958 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.076 -0.455 0.850 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.178 1.408 1.866 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.233 0.145 1.312 1.00 0.00 C ATOM 0 H PHE A 49 -2.503 1.008 -0.382 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.894 3.531 -0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.713 1.483 1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.548 2.931 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.968 -0.262 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.929 3.057 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.116 -1.443 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.080 1.880 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.178 -0.373 1.240 1.00 0.00 H new ATOM 772 N GLN A 50 -0.680 3.317 0.236 1.00 0.00 N ATOM 773 CA GLN A 50 0.552 4.077 0.438 1.00 0.00 C ATOM 774 C GLN A 50 0.762 4.406 1.912 1.00 0.00 C ATOM 775 O GLN A 50 1.446 5.372 2.252 1.00 0.00 O ATOM 776 CB GLN A 50 0.524 5.368 -0.382 1.00 0.00 C ATOM 777 CG GLN A 50 0.541 5.126 -1.880 1.00 0.00 C ATOM 778 CD GLN A 50 -0.743 5.562 -2.557 1.00 0.00 C ATOM 779 OE1 GLN A 50 -1.817 5.533 -1.957 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.637 5.971 -3.817 1.00 0.00 N ATOM 0 H GLN A 50 -0.542 2.398 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 50 1.383 3.457 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.369 5.936 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.383 5.982 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.380 5.663 -2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.706 4.066 -2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.274 5.979 -4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.467 6.277 -4.325 1.00 0.00 H new ATOM 789 N ASP A 51 0.179 3.591 2.783 1.00 0.00 N ATOM 790 CA ASP A 51 0.301 3.801 4.222 1.00 0.00 C ATOM 791 C ASP A 51 1.462 3.000 4.798 1.00 0.00 C ATOM 792 O ASP A 51 1.970 2.074 4.165 1.00 0.00 O ATOM 793 CB ASP A 51 -0.992 3.404 4.934 1.00 0.00 C ATOM 794 CG ASP A 51 -1.204 4.174 6.223 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.598 3.793 7.248 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.974 5.156 6.208 1.00 0.00 O ATOM 0 H ASP A 51 -0.382 2.781 2.520 1.00 0.00 H new ATOM 0 HA ASP A 51 0.492 4.862 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.838 3.576 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.970 2.336 5.152 1.00 0.00 H new ATOM 801 N GLU A 52 1.878 3.370 6.004 1.00 0.00 N ATOM 802 CA GLU A 52 2.973 2.692 6.686 1.00 0.00 C ATOM 803 C GLU A 52 2.592 1.255 7.038 1.00 0.00 C ATOM 804 O GLU A 52 3.425 0.354 7.004 1.00 0.00 O ATOM 805 CB GLU A 52 3.353 3.467 7.951 1.00 0.00 C ATOM 806 CG GLU A 52 4.100 2.637 8.983 1.00 0.00 C ATOM 807 CD GLU A 52 5.425 2.113 8.467 1.00 0.00 C ATOM 808 OE1 GLU A 52 6.117 2.856 7.740 1.00 0.00 O ATOM 809 OE2 GLU A 52 5.772 0.958 8.791 1.00 0.00 O ATOM 0 H GLU A 52 1.470 4.141 6.532 1.00 0.00 H new ATOM 0 HA GLU A 52 3.831 2.657 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.970 4.321 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.447 3.865 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.275 3.243 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.476 1.797 9.288 1.00 0.00 H new ATOM 816 N ARG A 53 1.325 1.055 7.379 1.00 0.00 N ATOM 817 CA ARG A 53 0.822 -0.265 7.748 1.00 0.00 C ATOM 818 C ARG A 53 0.899 -1.239 6.570 1.00 0.00 C ATOM 819 O ARG A 53 0.700 -2.443 6.735 1.00 0.00 O ATOM 820 CB ARG A 53 -0.619 -0.145 8.256 1.00 0.00 C ATOM 821 CG ARG A 53 -1.203 -1.446 8.783 1.00 0.00 C ATOM 822 CD ARG A 53 -2.409 -1.191 9.674 1.00 0.00 C ATOM 823 NE ARG A 53 -2.098 -0.274 10.766 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.006 0.481 11.379 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.279 0.424 11.010 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.642 1.293 12.361 1.00 0.00 N ATOM 0 H ARG A 53 0.622 1.794 7.408 1.00 0.00 H new ATOM 0 HA ARG A 53 1.451 -0.664 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.652 0.603 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.249 0.221 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.494 -2.081 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.442 -1.988 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.222 -0.779 9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.763 -2.137 10.084 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.129 -0.208 11.077 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.564 -0.200 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.973 1.004 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.664 1.340 12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.339 1.871 12.830 1.00 0.00 H new ATOM 840 N ALA A 54 1.195 -0.714 5.383 1.00 0.00 N ATOM 841 CA ALA A 54 1.284 -1.539 4.180 1.00 0.00 C ATOM 842 C ALA A 54 2.731 -1.838 3.787 1.00 0.00 C ATOM 843 O ALA A 54 2.996 -2.214 2.645 1.00 0.00 O ATOM 844 CB ALA A 54 0.568 -0.854 3.027 1.00 0.00 C ATOM 0 H ALA A 54 1.377 0.278 5.228 1.00 0.00 H new ATOM 0 HA ALA A 54 0.802 -2.491 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.639 -1.475 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.481 -0.708 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.032 0.113 2.834 1.00 0.00 H new ATOM 850 N VAL A 55 3.665 -1.676 4.720 1.00 0.00 N ATOM 851 CA VAL A 55 5.074 -1.935 4.425 1.00 0.00 C ATOM 852 C VAL A 55 5.476 -3.374 4.749 1.00 0.00 C ATOM 853 O VAL A 55 6.130 -4.035 3.942 1.00 0.00 O ATOM 854 CB VAL A 55 6.010 -0.965 5.179 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.658 0.476 4.853 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.960 -1.209 6.680 1.00 0.00 C ATOM 0 H VAL A 55 3.477 -1.371 5.675 1.00 0.00 H new ATOM 0 HA VAL A 55 5.186 -1.773 3.353 1.00 0.00 H new ATOM 0 HB VAL A 55 7.031 -1.153 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.328 1.145 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.765 0.643 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.628 0.675 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.629 -0.512 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.942 -1.060 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.274 -2.231 6.893 1.00 0.00 H new ATOM 866 N GLU A 56 5.081 -3.861 5.924 1.00 0.00 N ATOM 867 CA GLU A 56 5.427 -5.218 6.339 1.00 0.00 C ATOM 868 C GLU A 56 4.883 -6.265 5.364 1.00 0.00 C ATOM 869 O GLU A 56 5.625 -7.154 4.944 1.00 0.00 O ATOM 870 CB GLU A 56 4.924 -5.508 7.753 1.00 0.00 C ATOM 871 CG GLU A 56 5.645 -6.671 8.415 1.00 0.00 C ATOM 872 CD GLU A 56 7.010 -6.280 8.947 1.00 0.00 C ATOM 873 OE1 GLU A 56 7.072 -5.690 10.047 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.017 -6.566 8.266 1.00 0.00 O ATOM 0 H GLU A 56 4.525 -3.339 6.601 1.00 0.00 H new ATOM 0 HA GLU A 56 6.515 -5.283 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.047 -4.615 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.856 -5.724 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.035 -7.054 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.758 -7.482 7.695 1.00 0.00 H new ATOM 881 N PRO A 57 3.582 -6.195 4.997 1.00 0.00 N ATOM 882 CA PRO A 57 2.986 -7.154 4.061 1.00 0.00 C ATOM 883 C PRO A 57 3.878 -7.398 2.855 1.00 0.00 C ATOM 884 O PRO A 57 4.215 -8.536 2.544 1.00 0.00 O ATOM 885 CB PRO A 57 1.689 -6.468 3.642 1.00 0.00 C ATOM 886 CG PRO A 57 1.307 -5.646 4.823 1.00 0.00 C ATOM 887 CD PRO A 57 2.597 -5.190 5.451 1.00 0.00 C ATOM 0 HA PRO A 57 2.837 -8.136 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.835 -5.849 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.915 -7.196 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.697 -4.794 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.715 -6.229 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.869 -4.186 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.525 -5.162 6.538 1.00 0.00 H new ATOM 895 N LEU A 58 4.274 -6.320 2.197 1.00 0.00 N ATOM 896 CA LEU A 58 5.137 -6.415 1.028 1.00 0.00 C ATOM 897 C LEU A 58 6.442 -7.134 1.364 1.00 0.00 C ATOM 898 O LEU A 58 6.969 -7.892 0.552 1.00 0.00 O ATOM 899 CB LEU A 58 5.442 -5.018 0.481 1.00 0.00 C ATOM 900 CG LEU A 58 4.278 -4.025 0.528 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.686 -2.698 -0.095 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.055 -4.592 -0.177 1.00 0.00 C ATOM 0 H LEU A 58 4.012 -5.368 2.452 1.00 0.00 H new ATOM 0 HA LEU A 58 4.611 -6.994 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.276 -4.600 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.772 -5.116 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 58 4.018 -3.852 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.847 -2.003 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.529 -2.282 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.974 -2.857 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.241 -3.869 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.299 -4.798 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.748 -5.516 0.313 1.00 0.00 H new ATOM 914 N ILE A 59 6.955 -6.893 2.568 1.00 0.00 N ATOM 915 CA ILE A 59 8.209 -7.500 3.002 1.00 0.00 C ATOM 916 C ILE A 59 8.127 -9.024 3.092 1.00 0.00 C ATOM 917 O ILE A 59 8.877 -9.731 2.417 1.00 0.00 O ATOM 918 CB ILE A 59 8.672 -6.932 4.360 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.996 -5.441 4.219 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.883 -7.699 4.877 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.406 -4.776 5.516 1.00 0.00 C ATOM 0 H ILE A 59 6.521 -6.282 3.260 1.00 0.00 H new ATOM 0 HA ILE A 59 8.941 -7.246 2.236 1.00 0.00 H new ATOM 0 HB ILE A 59 7.865 -7.048 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.799 -5.321 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.123 -4.926 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.195 -7.284 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.621 -8.749 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.701 -7.613 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.619 -3.723 5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.597 -4.862 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.298 -5.264 5.909 1.00 0.00 H new ATOM 933 N LYS A 60 7.220 -9.528 3.922 1.00 0.00 N ATOM 934 CA LYS A 60 7.072 -10.971 4.103 1.00 0.00 C ATOM 935 C LYS A 60 6.570 -11.648 2.833 1.00 0.00 C ATOM 936 O LYS A 60 6.988 -12.758 2.503 1.00 0.00 O ATOM 937 CB LYS A 60 6.116 -11.267 5.257 1.00 0.00 C ATOM 938 CG LYS A 60 4.767 -10.582 5.119 1.00 0.00 C ATOM 939 CD LYS A 60 3.683 -11.340 5.866 1.00 0.00 C ATOM 940 CE LYS A 60 2.351 -10.608 5.811 1.00 0.00 C ATOM 941 NZ LYS A 60 2.399 -9.316 6.550 1.00 0.00 N ATOM 0 H LYS A 60 6.578 -8.963 4.478 1.00 0.00 H new ATOM 0 HA LYS A 60 8.058 -11.374 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.962 -12.344 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.580 -10.953 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.833 -9.564 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.501 -10.508 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.571 -12.335 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.982 -11.475 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.081 -10.422 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.571 -11.240 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.637 -8.694 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.275 -9.493 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.318 -8.857 6.388 1.00 0.00 H new ATOM 955 N LEU A 61 5.671 -10.973 2.130 1.00 0.00 N ATOM 956 CA LEU A 61 5.092 -11.500 0.899 1.00 0.00 C ATOM 957 C LEU A 61 6.162 -11.894 -0.109 1.00 0.00 C ATOM 958 O LEU A 61 6.155 -13.010 -0.628 1.00 0.00 O ATOM 959 CB LEU A 61 4.163 -10.458 0.282 1.00 0.00 C ATOM 960 CG LEU A 61 2.694 -10.546 0.705 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.550 -11.036 2.142 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.025 -9.193 0.544 1.00 0.00 C ATOM 0 H LEU A 61 5.323 -10.051 2.393 1.00 0.00 H new ATOM 0 HA LEU A 61 4.530 -12.398 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.537 -9.467 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.216 -10.548 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 61 2.203 -11.272 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.493 -11.085 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.994 -12.027 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.060 -10.346 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.981 -9.265 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.534 -8.459 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.079 -8.882 -0.499 1.00 0.00 H new ATOM 974 N LEU A 62 7.076 -10.973 -0.384 1.00 0.00 N ATOM 975 CA LEU A 62 8.149 -11.225 -1.336 1.00 0.00 C ATOM 976 C LEU A 62 8.979 -12.430 -0.912 1.00 0.00 C ATOM 977 O LEU A 62 9.739 -12.986 -1.706 1.00 0.00 O ATOM 978 CB LEU A 62 9.026 -9.982 -1.477 1.00 0.00 C ATOM 979 CG LEU A 62 8.304 -8.761 -2.051 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.150 -7.510 -1.886 1.00 0.00 C ATOM 981 CD2 LEU A 62 7.967 -8.987 -3.517 1.00 0.00 C ATOM 0 H LEU A 62 7.096 -10.045 0.039 1.00 0.00 H new ATOM 0 HA LEU A 62 7.707 -11.451 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.429 -9.724 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.875 -10.222 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 62 7.375 -8.619 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.618 -6.654 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.344 -7.339 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.096 -7.639 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.454 -8.110 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.885 -9.154 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.320 -9.859 -3.611 1.00 0.00 H new ATOM 993 N GLU A 63 8.826 -12.828 0.346 1.00 0.00 N ATOM 994 CA GLU A 63 9.543 -13.975 0.880 1.00 0.00 C ATOM 995 C GLU A 63 8.641 -15.210 0.903 1.00 0.00 C ATOM 996 O GLU A 63 9.125 -16.343 0.908 1.00 0.00 O ATOM 997 CB GLU A 63 10.054 -13.665 2.288 1.00 0.00 C ATOM 998 CG GLU A 63 11.512 -13.241 2.326 1.00 0.00 C ATOM 999 CD GLU A 63 11.766 -11.954 1.566 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.545 -10.870 2.144 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.184 -12.031 0.391 1.00 0.00 O ATOM 0 H GLU A 63 8.208 -12.369 1.016 1.00 0.00 H new ATOM 0 HA GLU A 63 10.395 -14.184 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.443 -12.873 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.924 -14.547 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.822 -13.113 3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.128 -14.035 1.904 1.00 0.00 H new ATOM 1008 N ASP A 64 7.326 -14.982 0.916 1.00 0.00 N ATOM 1009 CA ASP A 64 6.353 -16.073 0.938 1.00 0.00 C ATOM 1010 C ASP A 64 6.478 -16.949 -0.297 1.00 0.00 C ATOM 1011 O ASP A 64 6.306 -18.166 -0.233 1.00 0.00 O ATOM 1012 CB ASP A 64 4.929 -15.523 1.051 1.00 0.00 C ATOM 1013 CG ASP A 64 4.567 -15.151 2.476 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.249 -16.066 3.265 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.600 -13.946 2.804 1.00 0.00 O ATOM 0 H ASP A 64 6.911 -14.050 0.912 1.00 0.00 H new ATOM 0 HA ASP A 64 6.565 -16.687 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.829 -14.645 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.224 -16.268 0.682 1.00 0.00 H new ATOM 1020 N ASP A 65 6.778 -16.312 -1.412 1.00 0.00 N ATOM 1021 CA ASP A 65 6.932 -17.009 -2.685 1.00 0.00 C ATOM 1022 C ASP A 65 5.664 -17.783 -3.043 1.00 0.00 C ATOM 1023 O ASP A 65 5.720 -18.792 -3.747 1.00 0.00 O ATOM 1024 CB ASP A 65 8.130 -17.960 -2.622 1.00 0.00 C ATOM 1025 CG ASP A 65 8.504 -18.519 -3.982 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.136 -17.786 -4.772 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.167 -19.690 -4.257 1.00 0.00 O ATOM 0 H ASP A 65 6.922 -15.304 -1.467 1.00 0.00 H new ATOM 0 HA ASP A 65 7.107 -16.265 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.986 -17.432 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.900 -18.783 -1.946 1.00 0.00 H new ATOM 1032 N SER A 66 4.516 -17.304 -2.566 1.00 0.00 N ATOM 1033 CA SER A 66 3.247 -17.971 -2.845 1.00 0.00 C ATOM 1034 C SER A 66 2.815 -17.748 -4.292 1.00 0.00 C ATOM 1035 O SER A 66 1.893 -18.402 -4.782 1.00 0.00 O ATOM 1036 CB SER A 66 2.158 -17.464 -1.899 1.00 0.00 C ATOM 1037 OG SER A 66 1.032 -18.324 -1.911 1.00 0.00 O ATOM 0 H SER A 66 4.439 -16.465 -1.991 1.00 0.00 H new ATOM 0 HA SER A 66 3.392 -19.040 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.555 -17.394 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.855 -16.459 -2.193 1.00 0.00 H new ATOM 0 HG SER A 66 0.889 -18.663 -2.819 1.00 0.00 H new ATOM 1043 N GLY A 67 3.486 -16.823 -4.972 1.00 0.00 N ATOM 1044 CA GLY A 67 3.151 -16.526 -6.354 1.00 0.00 C ATOM 1045 C GLY A 67 2.286 -15.288 -6.477 1.00 0.00 C ATOM 1046 O GLY A 67 2.779 -14.211 -6.812 1.00 0.00 O ATOM 0 H GLY A 67 4.256 -16.273 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.068 -16.386 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.629 -17.377 -6.791 1.00 0.00 H new ATOM 1050 N PHE A 68 0.993 -15.441 -6.209 1.00 0.00 N ATOM 1051 CA PHE A 68 0.062 -14.320 -6.275 1.00 0.00 C ATOM 1052 C PHE A 68 0.311 -13.383 -5.100 1.00 0.00 C ATOM 1053 O PHE A 68 0.257 -12.160 -5.236 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.382 -14.827 -6.239 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.367 -13.937 -6.948 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.558 -12.618 -6.556 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.116 -14.431 -8.004 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.475 -11.815 -7.208 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.033 -13.630 -8.659 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.213 -12.321 -8.260 1.00 0.00 C ATOM 0 H PHE A 68 0.567 -16.329 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 68 0.219 -13.781 -7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.418 -15.820 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.691 -14.936 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.984 -12.216 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.982 -15.455 -8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.614 -10.791 -6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.608 -14.028 -9.482 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.930 -11.694 -8.769 1.00 0.00 H new ATOM 1070 N VAL A 69 0.587 -13.979 -3.944 1.00 0.00 N ATOM 1071 CA VAL A 69 0.857 -13.226 -2.728 1.00 0.00 C ATOM 1072 C VAL A 69 2.221 -12.544 -2.803 1.00 0.00 C ATOM 1073 O VAL A 69 2.376 -11.392 -2.397 1.00 0.00 O ATOM 1074 CB VAL A 69 0.822 -14.151 -1.495 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.868 -13.348 -0.209 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.409 -15.044 -1.531 1.00 0.00 C ATOM 0 H VAL A 69 0.629 -14.991 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 69 0.081 -12.467 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 69 1.707 -14.786 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.842 -14.026 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.786 -12.762 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.009 -12.679 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.416 -15.690 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.307 -14.426 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.387 -15.657 -2.432 1.00 0.00 H new ATOM 1086 N ARG A 70 3.204 -13.270 -3.328 1.00 0.00 N ATOM 1087 CA ARG A 70 4.562 -12.751 -3.465 1.00 0.00 C ATOM 1088 C ARG A 70 4.621 -11.623 -4.496 1.00 0.00 C ATOM 1089 O ARG A 70 5.025 -10.504 -4.181 1.00 0.00 O ATOM 1090 CB ARG A 70 5.512 -13.885 -3.865 1.00 0.00 C ATOM 1091 CG ARG A 70 6.980 -13.598 -3.585 1.00 0.00 C ATOM 1092 CD ARG A 70 7.591 -12.676 -4.628 1.00 0.00 C ATOM 1093 NE ARG A 70 7.576 -13.273 -5.961 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.625 -13.877 -6.509 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.765 -13.973 -5.838 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.535 -14.389 -7.730 1.00 0.00 N ATOM 0 H ARG A 70 3.085 -14.224 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 70 4.872 -12.342 -2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.223 -14.791 -3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.390 -14.088 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.079 -13.145 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.534 -14.536 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.042 -11.735 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.618 -12.441 -4.347 1.00 0.00 H new ATOM 0 HE ARG A 70 6.712 -13.223 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.838 -13.583 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.568 -14.437 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.660 -14.319 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.341 -14.852 -8.149 1.00 0.00 H new ATOM 1110 N SER A 71 4.218 -11.928 -5.727 1.00 0.00 N ATOM 1111 CA SER A 71 4.234 -10.945 -6.809 1.00 0.00 C ATOM 1112 C SER A 71 3.399 -9.717 -6.467 1.00 0.00 C ATOM 1113 O SER A 71 3.744 -8.599 -6.849 1.00 0.00 O ATOM 1114 CB SER A 71 3.724 -11.571 -8.105 1.00 0.00 C ATOM 1115 OG SER A 71 4.555 -12.641 -8.518 1.00 0.00 O ATOM 0 H SER A 71 3.876 -12.849 -6.001 1.00 0.00 H new ATOM 0 HA SER A 71 5.267 -10.625 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.706 -11.932 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.686 -10.813 -8.888 1.00 0.00 H new ATOM 0 HG SER A 71 4.258 -13.470 -8.089 1.00 0.00 H new ATOM 1121 N GLY A 72 2.302 -9.930 -5.751 1.00 0.00 N ATOM 1122 CA GLY A 72 1.437 -8.828 -5.376 1.00 0.00 C ATOM 1123 C GLY A 72 2.171 -7.738 -4.626 1.00 0.00 C ATOM 1124 O GLY A 72 1.809 -6.565 -4.705 1.00 0.00 O ATOM 0 H GLY A 72 1.996 -10.846 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.985 -8.405 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.623 -9.205 -4.756 1.00 0.00 H new ATOM 1128 N ALA A 73 3.204 -8.131 -3.892 1.00 0.00 N ATOM 1129 CA ALA A 73 3.996 -7.185 -3.120 1.00 0.00 C ATOM 1130 C ALA A 73 4.893 -6.332 -4.015 1.00 0.00 C ATOM 1131 O ALA A 73 4.866 -5.107 -3.937 1.00 0.00 O ATOM 1132 CB ALA A 73 4.836 -7.927 -2.093 1.00 0.00 C ATOM 0 H ALA A 73 3.513 -9.100 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 73 3.306 -6.513 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.426 -7.212 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.182 -8.481 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.504 -8.622 -2.603 1.00 0.00 H new ATOM 1138 N ALA A 74 5.671 -6.988 -4.877 1.00 0.00 N ATOM 1139 CA ALA A 74 6.597 -6.292 -5.770 1.00 0.00 C ATOM 1140 C ALA A 74 5.947 -5.094 -6.453 1.00 0.00 C ATOM 1141 O ALA A 74 6.518 -4.003 -6.487 1.00 0.00 O ATOM 1142 CB ALA A 74 7.146 -7.256 -6.811 1.00 0.00 C ATOM 0 H ALA A 74 5.678 -8.003 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 74 7.416 -5.913 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.834 -6.727 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.674 -8.068 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.324 -7.665 -7.398 1.00 0.00 H new ATOM 1148 N ARG A 75 4.754 -5.299 -6.996 1.00 0.00 N ATOM 1149 CA ARG A 75 4.038 -4.234 -7.686 1.00 0.00 C ATOM 1150 C ARG A 75 3.542 -3.167 -6.712 1.00 0.00 C ATOM 1151 O ARG A 75 3.434 -1.994 -7.068 1.00 0.00 O ATOM 1152 CB ARG A 75 2.861 -4.812 -8.473 1.00 0.00 C ATOM 1153 CG ARG A 75 1.927 -5.663 -7.630 1.00 0.00 C ATOM 1154 CD ARG A 75 0.850 -6.313 -8.482 1.00 0.00 C ATOM 1155 NE ARG A 75 1.419 -7.131 -9.549 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.226 -6.897 -10.844 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.481 -5.870 -11.233 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.775 -7.691 -11.753 1.00 0.00 N ATOM 0 H ARG A 75 4.262 -6.192 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 75 4.735 -3.759 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.293 -3.993 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.245 -5.415 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.500 -6.434 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.462 -5.045 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.212 -6.932 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.215 -5.541 -8.916 1.00 0.00 H new ATOM 0 HE ARG A 75 1.998 -7.928 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.054 -5.257 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.335 -5.693 -12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.347 -8.483 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.626 -7.510 -12.746 1.00 0.00 H new ATOM 1172 N SER A 76 3.249 -3.578 -5.481 1.00 0.00 N ATOM 1173 CA SER A 76 2.754 -2.654 -4.464 1.00 0.00 C ATOM 1174 C SER A 76 3.799 -1.605 -4.089 1.00 0.00 C ATOM 1175 O SER A 76 3.463 -0.443 -3.868 1.00 0.00 O ATOM 1176 CB SER A 76 2.315 -3.423 -3.218 1.00 0.00 C ATOM 1177 OG SER A 76 1.133 -4.164 -3.465 1.00 0.00 O ATOM 0 H SER A 76 3.345 -4.543 -5.164 1.00 0.00 H new ATOM 0 HA SER A 76 1.897 -2.131 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.112 -4.097 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.146 -2.726 -2.398 1.00 0.00 H new ATOM 0 HG SER A 76 1.363 -5.010 -3.903 1.00 0.00 H new ATOM 1183 N LEU A 77 5.063 -2.016 -4.014 1.00 0.00 N ATOM 1184 CA LEU A 77 6.140 -1.092 -3.657 1.00 0.00 C ATOM 1185 C LEU A 77 6.160 0.115 -4.594 1.00 0.00 C ATOM 1186 O LEU A 77 6.030 1.257 -4.153 1.00 0.00 O ATOM 1187 CB LEU A 77 7.498 -1.803 -3.690 1.00 0.00 C ATOM 1188 CG LEU A 77 7.811 -2.670 -2.466 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.013 -3.960 -2.501 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.300 -2.968 -2.388 1.00 0.00 C ATOM 0 H LEU A 77 5.366 -2.973 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 77 5.952 -0.740 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.540 -2.431 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.281 -1.052 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 77 7.523 -2.114 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.252 -4.559 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.948 -3.729 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.266 -4.520 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.502 -3.585 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.612 -3.500 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.855 -2.033 -2.309 1.00 0.00 H new ATOM 1202 N GLU A 78 6.329 -0.150 -5.885 1.00 0.00 N ATOM 1203 CA GLU A 78 6.359 0.905 -6.897 1.00 0.00 C ATOM 1204 C GLU A 78 5.105 1.776 -6.852 1.00 0.00 C ATOM 1205 O GLU A 78 5.174 2.985 -7.078 1.00 0.00 O ATOM 1206 CB GLU A 78 6.510 0.295 -8.292 1.00 0.00 C ATOM 1207 CG GLU A 78 7.769 -0.539 -8.457 1.00 0.00 C ATOM 1208 CD GLU A 78 7.940 -1.061 -9.871 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.563 -0.355 -10.693 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.451 -2.174 -10.157 1.00 0.00 O ATOM 0 H GLU A 78 6.448 -1.091 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 78 7.217 1.540 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.641 -0.328 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.515 1.096 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.637 0.063 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.737 -1.380 -7.764 1.00 0.00 H new ATOM 1217 N GLN A 79 3.965 1.162 -6.560 1.00 0.00 N ATOM 1218 CA GLN A 79 2.697 1.888 -6.504 1.00 0.00 C ATOM 1219 C GLN A 79 2.702 2.968 -5.424 1.00 0.00 C ATOM 1220 O GLN A 79 1.940 3.932 -5.506 1.00 0.00 O ATOM 1221 CB GLN A 79 1.540 0.915 -6.267 1.00 0.00 C ATOM 1222 CG GLN A 79 1.200 0.069 -7.484 1.00 0.00 C ATOM 1223 CD GLN A 79 0.164 -1.000 -7.189 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.149 -1.488 -5.954 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.614 -1.383 -8.062 1.00 0.00 N flip ATOM 0 H GLN A 79 3.890 0.165 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 79 2.564 2.384 -7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.794 0.257 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.657 1.479 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.830 0.717 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.108 -0.405 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.568 -0.981 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.305 -2.102 -7.849 1.00 0.00 H new ATOM 1234 N ILE A 80 3.555 2.812 -4.414 1.00 0.00 N ATOM 1235 CA ILE A 80 3.622 3.787 -3.328 1.00 0.00 C ATOM 1236 C ILE A 80 4.634 4.897 -3.616 1.00 0.00 C ATOM 1237 O ILE A 80 4.267 6.068 -3.713 1.00 0.00 O ATOM 1238 CB ILE A 80 3.982 3.111 -1.990 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.073 1.905 -1.741 1.00 0.00 C ATOM 1240 CG2 ILE A 80 3.868 4.110 -0.848 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.505 1.052 -0.567 1.00 0.00 C ATOM 0 H ILE A 80 4.203 2.029 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 80 2.629 4.231 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 80 5.013 2.760 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.056 2.257 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.049 1.287 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.125 3.620 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.551 4.941 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.846 4.485 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.815 0.217 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.510 0.670 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.502 1.655 0.341 1.00 0.00 H new ATOM 1253 N GLY A 81 5.905 4.523 -3.762 1.00 0.00 N ATOM 1254 CA GLY A 81 6.949 5.503 -4.034 1.00 0.00 C ATOM 1255 C GLY A 81 7.146 6.493 -2.894 1.00 0.00 C ATOM 1256 O GLY A 81 6.196 7.145 -2.459 1.00 0.00 O ATOM 0 H GLY A 81 6.231 3.559 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.888 4.983 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.699 6.049 -4.943 1.00 0.00 H new ATOM 1260 N GLY A 82 8.384 6.608 -2.408 1.00 0.00 N ATOM 1261 CA GLY A 82 8.671 7.534 -1.321 1.00 0.00 C ATOM 1262 C GLY A 82 9.680 6.989 -0.322 1.00 0.00 C ATOM 1263 O GLY A 82 10.337 5.985 -0.577 1.00 0.00 O ATOM 0 H GLY A 82 9.188 6.080 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.049 8.467 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.744 7.771 -0.799 1.00 0.00 H new ATOM 1267 N GLU A 83 9.834 7.686 0.798 1.00 0.00 N ATOM 1268 CA GLU A 83 10.761 7.273 1.852 1.00 0.00 C ATOM 1269 C GLU A 83 10.262 6.050 2.641 1.00 0.00 C ATOM 1270 O GLU A 83 11.056 5.338 3.254 1.00 0.00 O ATOM 1271 CB GLU A 83 11.010 8.437 2.814 1.00 0.00 C ATOM 1272 CG GLU A 83 12.108 8.161 3.831 1.00 0.00 C ATOM 1273 CD GLU A 83 12.312 9.312 4.797 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.951 10.310 4.405 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.833 9.214 5.946 1.00 0.00 O ATOM 0 H GLU A 83 9.326 8.546 1.003 1.00 0.00 H new ATOM 0 HA GLU A 83 11.690 6.983 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.274 9.324 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.085 8.665 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.860 7.260 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.042 7.962 3.306 1.00 0.00 H new ATOM 1282 N ARG A 84 8.949 5.812 2.625 1.00 0.00 N ATOM 1283 CA ARG A 84 8.354 4.710 3.391 1.00 0.00 C ATOM 1284 C ARG A 84 8.910 3.334 2.997 1.00 0.00 C ATOM 1285 O ARG A 84 9.564 2.680 3.809 1.00 0.00 O ATOM 1286 CB ARG A 84 6.813 4.745 3.289 1.00 0.00 C ATOM 1287 CG ARG A 84 6.220 4.421 1.916 1.00 0.00 C ATOM 1288 CD ARG A 84 6.699 5.374 0.826 1.00 0.00 C ATOM 1289 NE ARG A 84 7.979 4.959 0.262 1.00 0.00 N ATOM 1290 CZ ARG A 84 8.100 4.198 -0.822 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.024 3.798 -1.478 1.00 0.00 N ATOM 1292 NH2 ARG A 84 9.302 3.832 -1.244 1.00 0.00 N ATOM 0 H ARG A 84 8.277 6.365 2.092 1.00 0.00 H new ATOM 0 HA ARG A 84 8.638 4.861 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.405 4.040 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.472 5.738 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.486 3.400 1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.132 4.462 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.952 5.423 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.793 6.379 1.238 1.00 0.00 H new ATOM 0 HE ARG A 84 8.832 5.271 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.097 4.073 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.121 3.214 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.134 4.134 -0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.395 3.248 -2.075 1.00 0.00 H new ATOM 1306 N VAL A 85 8.659 2.893 1.770 1.00 0.00 N ATOM 1307 CA VAL A 85 9.166 1.610 1.307 1.00 0.00 C ATOM 1308 C VAL A 85 10.671 1.690 1.114 1.00 0.00 C ATOM 1309 O VAL A 85 11.362 0.673 1.082 1.00 0.00 O ATOM 1310 CB VAL A 85 8.494 1.158 -0.006 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.993 -0.216 -0.422 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.981 1.158 0.140 1.00 0.00 C ATOM 0 H VAL A 85 8.109 3.405 1.080 1.00 0.00 H new ATOM 0 HA VAL A 85 8.927 0.869 2.070 1.00 0.00 H new ATOM 0 HB VAL A 85 8.763 1.868 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.506 -0.514 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.072 -0.181 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.760 -0.940 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.525 0.836 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.692 0.474 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.639 2.164 0.383 1.00 0.00 H new ATOM 1322 N ARG A 86 11.167 2.917 0.971 1.00 0.00 N ATOM 1323 CA ARG A 86 12.592 3.155 0.788 1.00 0.00 C ATOM 1324 C ARG A 86 13.396 2.338 1.794 1.00 0.00 C ATOM 1325 O ARG A 86 14.476 1.836 1.487 1.00 0.00 O ATOM 1326 CB ARG A 86 12.897 4.648 0.948 1.00 0.00 C ATOM 1327 CG ARG A 86 14.067 5.137 0.109 1.00 0.00 C ATOM 1328 CD ARG A 86 15.401 4.733 0.715 1.00 0.00 C ATOM 1329 NE ARG A 86 15.577 5.274 2.059 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.763 5.552 2.594 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.872 5.343 1.898 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.840 6.041 3.823 1.00 0.00 N ATOM 0 H ARG A 86 10.598 3.764 0.979 1.00 0.00 H new ATOM 0 HA ARG A 86 12.877 2.844 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.008 5.220 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.105 4.855 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.987 4.730 -0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.022 6.222 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.469 3.646 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.211 5.082 0.075 1.00 0.00 H new ATOM 0 HE ARG A 86 14.743 5.449 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.817 4.969 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.780 5.557 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.989 6.205 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.750 6.253 4.231 1.00 0.00 H new ATOM 1346 N ALA A 87 12.849 2.208 2.999 1.00 0.00 N ATOM 1347 CA ALA A 87 13.496 1.444 4.058 1.00 0.00 C ATOM 1348 C ALA A 87 13.130 -0.033 3.958 1.00 0.00 C ATOM 1349 O ALA A 87 13.895 -0.905 4.370 1.00 0.00 O ATOM 1350 CB ALA A 87 13.102 1.996 5.421 1.00 0.00 C ATOM 0 H ALA A 87 11.957 2.624 3.266 1.00 0.00 H new ATOM 0 HA ALA A 87 14.576 1.538 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.592 1.417 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.411 3.039 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.021 1.928 5.542 1.00 0.00 H new ATOM 1356 N ALA A 88 11.951 -0.301 3.404 1.00 0.00 N ATOM 1357 CA ALA A 88 11.461 -1.666 3.246 1.00 0.00 C ATOM 1358 C ALA A 88 12.325 -2.473 2.280 1.00 0.00 C ATOM 1359 O ALA A 88 12.736 -3.590 2.595 1.00 0.00 O ATOM 1360 CB ALA A 88 10.016 -1.653 2.772 1.00 0.00 C ATOM 0 H ALA A 88 11.314 0.415 3.055 1.00 0.00 H new ATOM 0 HA ALA A 88 11.517 -2.151 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.661 -2.677 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.397 -1.134 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.952 -1.138 1.814 1.00 0.00 H new ATOM 1366 N MET A 89 12.598 -1.909 1.103 1.00 0.00 N ATOM 1367 CA MET A 89 13.410 -2.597 0.108 1.00 0.00 C ATOM 1368 C MET A 89 14.783 -2.922 0.680 1.00 0.00 C ATOM 1369 O MET A 89 15.313 -4.011 0.467 1.00 0.00 O ATOM 1370 CB MET A 89 13.540 -1.750 -1.161 1.00 0.00 C ATOM 1371 CG MET A 89 14.259 -0.432 -0.949 1.00 0.00 C ATOM 1372 SD MET A 89 13.737 0.843 -2.108 1.00 0.00 S ATOM 1373 CE MET A 89 14.849 2.174 -1.665 1.00 0.00 C ATOM 0 H MET A 89 12.270 -0.985 0.820 1.00 0.00 H new ATOM 0 HA MET A 89 12.916 -3.532 -0.157 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.073 -2.326 -1.917 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.544 -1.550 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.081 -0.086 0.069 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.333 -0.589 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.855 2.922 -2.458 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.514 2.634 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.856 1.778 -1.532 1.00 0.00 H new ATOM 1383 N GLU A 90 15.355 -1.974 1.416 1.00 0.00 N ATOM 1384 CA GLU A 90 16.656 -2.179 2.032 1.00 0.00 C ATOM 1385 C GLU A 90 16.576 -3.314 3.044 1.00 0.00 C ATOM 1386 O GLU A 90 17.553 -4.023 3.280 1.00 0.00 O ATOM 1387 CB GLU A 90 17.139 -0.895 2.712 1.00 0.00 C ATOM 1388 CG GLU A 90 17.407 0.241 1.739 1.00 0.00 C ATOM 1389 CD GLU A 90 17.848 1.514 2.434 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.969 2.309 2.828 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.071 1.716 2.583 1.00 0.00 O ATOM 0 H GLU A 90 14.938 -1.061 1.598 1.00 0.00 H new ATOM 0 HA GLU A 90 17.373 -2.445 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.391 -0.573 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.051 -1.109 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.176 -0.067 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.504 0.441 1.162 1.00 0.00 H new ATOM 1398 N LYS A 91 15.396 -3.477 3.640 1.00 0.00 N ATOM 1399 CA LYS A 91 15.172 -4.539 4.617 1.00 0.00 C ATOM 1400 C LYS A 91 15.142 -5.898 3.932 1.00 0.00 C ATOM 1401 O LYS A 91 15.719 -6.864 4.430 1.00 0.00 O ATOM 1402 CB LYS A 91 13.864 -4.296 5.378 1.00 0.00 C ATOM 1403 CG LYS A 91 13.829 -4.923 6.765 1.00 0.00 C ATOM 1404 CD LYS A 91 13.620 -6.429 6.703 1.00 0.00 C ATOM 1405 CE LYS A 91 13.650 -7.052 8.089 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.515 -8.534 8.036 1.00 0.00 N ATOM 0 H LYS A 91 14.582 -2.888 3.463 1.00 0.00 H new ATOM 0 HA LYS A 91 15.996 -4.531 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.704 -3.222 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.035 -4.691 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.763 -4.707 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.028 -4.469 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.664 -6.646 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.395 -6.880 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.585 -6.790 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.843 -6.635 8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.540 -8.920 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.611 -8.784 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.299 -8.934 7.483 1.00 0.00 H new ATOM 1420 N LEU A 92 14.480 -5.971 2.781 1.00 0.00 N ATOM 1421 CA LEU A 92 14.398 -7.215 2.042 1.00 0.00 C ATOM 1422 C LEU A 92 15.733 -7.492 1.360 1.00 0.00 C ATOM 1423 O LEU A 92 16.066 -8.636 1.072 1.00 0.00 O ATOM 1424 CB LEU A 92 13.244 -7.154 1.031 1.00 0.00 C ATOM 1425 CG LEU A 92 13.550 -7.685 -0.370 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.580 -9.208 -0.377 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.521 -7.168 -1.361 1.00 0.00 C ATOM 0 H LEU A 92 13.997 -5.185 2.346 1.00 0.00 H new ATOM 0 HA LEU A 92 14.190 -8.038 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.403 -7.717 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.920 -6.117 0.942 1.00 0.00 H new ATOM 0 HG LEU A 92 14.535 -7.326 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.799 -9.563 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.351 -9.560 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.611 -9.592 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.748 -7.552 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.528 -7.502 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.548 -6.078 -1.378 1.00 0.00 H new ATOM 1439 N ALA A 93 16.497 -6.431 1.113 1.00 0.00 N ATOM 1440 CA ALA A 93 17.805 -6.563 0.485 1.00 0.00 C ATOM 1441 C ALA A 93 18.704 -7.473 1.313 1.00 0.00 C ATOM 1442 O ALA A 93 19.608 -8.120 0.785 1.00 0.00 O ATOM 1443 CB ALA A 93 18.450 -5.196 0.302 1.00 0.00 C ATOM 0 H ALA A 93 16.232 -5.472 1.338 1.00 0.00 H new ATOM 0 HA ALA A 93 17.672 -7.013 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.426 -5.314 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.815 -4.576 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.571 -4.718 1.274 1.00 0.00 H new ATOM 1449 N GLU A 94 18.448 -7.515 2.620 1.00 0.00 N ATOM 1450 CA GLU A 94 19.218 -8.361 3.522 1.00 0.00 C ATOM 1451 C GLU A 94 18.688 -9.786 3.463 1.00 0.00 C ATOM 1452 O GLU A 94 19.414 -10.747 3.722 1.00 0.00 O ATOM 1453 CB GLU A 94 19.148 -7.828 4.954 1.00 0.00 C ATOM 1454 CG GLU A 94 19.860 -6.498 5.140 1.00 0.00 C ATOM 1455 CD GLU A 94 19.884 -6.046 6.587 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.736 -6.548 7.351 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.050 -5.193 6.957 1.00 0.00 O ATOM 0 H GLU A 94 17.713 -6.973 3.075 1.00 0.00 H new ATOM 0 HA GLU A 94 20.262 -8.353 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.102 -7.715 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.586 -8.563 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.883 -6.583 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.366 -5.738 4.534 1.00 0.00 H new ATOM 1464 N THR A 95 17.409 -9.909 3.118 1.00 0.00 N ATOM 1465 CA THR A 95 16.764 -11.208 2.992 1.00 0.00 C ATOM 1466 C THR A 95 16.483 -11.491 1.524 1.00 0.00 C ATOM 1467 O THR A 95 15.635 -12.316 1.182 1.00 0.00 O ATOM 1468 CB THR A 95 15.442 -11.267 3.781 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.545 -10.253 3.310 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.689 -11.077 5.270 1.00 0.00 C ATOM 0 H THR A 95 16.797 -9.117 2.920 1.00 0.00 H new ATOM 0 HA THR A 95 17.438 -11.959 3.404 1.00 0.00 H new ATOM 0 HB THR A 95 14.997 -12.250 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.710 -10.669 3.009 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.740 -11.123 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.349 -11.865 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.155 -10.107 5.441 1.00 0.00 H new ATOM 1478 N GLY A 96 17.220 -10.792 0.665 1.00 0.00 N ATOM 1479 CA GLY A 96 17.052 -10.931 -0.765 1.00 0.00 C ATOM 1480 C GLY A 96 17.193 -12.354 -1.251 1.00 0.00 C ATOM 1481 O GLY A 96 18.263 -12.955 -1.150 1.00 0.00 O ATOM 0 H GLY A 96 17.939 -10.124 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.068 -10.555 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.788 -10.307 -1.272 1.00 0.00 H new ATOM 1485 N THR A 97 16.103 -12.889 -1.780 1.00 0.00 N ATOM 1486 CA THR A 97 16.093 -14.245 -2.308 1.00 0.00 C ATOM 1487 C THR A 97 15.279 -14.316 -3.596 1.00 0.00 C ATOM 1488 O THR A 97 14.142 -13.847 -3.648 1.00 0.00 O ATOM 1489 CB THR A 97 15.515 -15.241 -1.285 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.278 -15.196 -0.072 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.525 -16.659 -1.839 1.00 0.00 C ATOM 0 H THR A 97 15.210 -12.402 -1.855 1.00 0.00 H new ATOM 0 HA THR A 97 17.127 -14.519 -2.517 1.00 0.00 H new ATOM 0 HB THR A 97 14.483 -14.955 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.121 -14.342 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.112 -17.342 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.921 -16.700 -2.746 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.549 -16.952 -2.071 1.00 0.00 H new ATOM 1499 N GLY A 98 15.865 -14.908 -4.632 1.00 0.00 N ATOM 1500 CA GLY A 98 15.179 -15.027 -5.905 1.00 0.00 C ATOM 1501 C GLY A 98 14.788 -13.682 -6.491 1.00 0.00 C ATOM 1502 O GLY A 98 15.535 -12.710 -6.387 1.00 0.00 O ATOM 0 H GLY A 98 16.803 -15.308 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.822 -15.553 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.284 -15.635 -5.775 1.00 0.00 H new ATOM 1506 N PHE A 99 13.611 -13.633 -7.107 1.00 0.00 N ATOM 1507 CA PHE A 99 13.106 -12.407 -7.717 1.00 0.00 C ATOM 1508 C PHE A 99 12.871 -11.323 -6.666 1.00 0.00 C ATOM 1509 O PHE A 99 12.907 -10.130 -6.972 1.00 0.00 O ATOM 1510 CB PHE A 99 11.806 -12.703 -8.475 1.00 0.00 C ATOM 1511 CG PHE A 99 11.030 -11.478 -8.871 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.442 -10.689 -9.933 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.884 -11.119 -8.180 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.725 -9.564 -10.296 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.163 -9.996 -8.538 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.584 -9.218 -9.598 1.00 0.00 C ATOM 0 H PHE A 99 12.985 -14.433 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 99 13.856 -12.037 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.044 -13.274 -9.372 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.172 -13.335 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.332 -10.956 -10.483 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.550 -11.725 -7.351 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.057 -8.956 -11.125 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.272 -9.727 -7.990 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.022 -8.340 -9.881 1.00 0.00 H new ATOM 1526 N ALA A 100 12.639 -11.746 -5.427 1.00 0.00 N ATOM 1527 CA ALA A 100 12.390 -10.813 -4.331 1.00 0.00 C ATOM 1528 C ALA A 100 13.520 -9.797 -4.183 1.00 0.00 C ATOM 1529 O ALA A 100 13.274 -8.609 -4.002 1.00 0.00 O ATOM 1530 CB ALA A 100 12.193 -11.573 -3.029 1.00 0.00 C ATOM 0 H ALA A 100 12.618 -12.729 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 100 11.480 -10.262 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.008 -10.867 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.340 -12.245 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.089 -12.153 -2.807 1.00 0.00 H new ATOM 1536 N ARG A 101 14.756 -10.268 -4.260 1.00 0.00 N ATOM 1537 CA ARG A 101 15.914 -9.389 -4.126 1.00 0.00 C ATOM 1538 C ARG A 101 15.974 -8.371 -5.259 1.00 0.00 C ATOM 1539 O ARG A 101 16.062 -7.166 -5.018 1.00 0.00 O ATOM 1540 CB ARG A 101 17.195 -10.212 -4.114 1.00 0.00 C ATOM 1541 CG ARG A 101 18.449 -9.386 -3.878 1.00 0.00 C ATOM 1542 CD ARG A 101 19.579 -10.234 -3.318 1.00 0.00 C ATOM 1543 NE ARG A 101 19.920 -11.347 -4.201 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.497 -12.470 -3.782 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.786 -12.632 -2.498 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.780 -13.434 -4.648 1.00 0.00 N ATOM 0 H ARG A 101 14.985 -11.250 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 101 15.814 -8.849 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.120 -10.973 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.289 -10.736 -5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.766 -8.929 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.226 -8.574 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.459 -9.610 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.291 -10.622 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 101 19.704 -11.258 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.566 -11.894 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.228 -13.494 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.555 -13.314 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.222 -14.295 -4.326 1.00 0.00 H new ATOM 1560 N LYS A 102 15.933 -8.867 -6.493 1.00 0.00 N ATOM 1561 CA LYS A 102 15.983 -8.010 -7.675 1.00 0.00 C ATOM 1562 C LYS A 102 14.961 -6.883 -7.573 1.00 0.00 C ATOM 1563 O LYS A 102 15.090 -5.848 -8.225 1.00 0.00 O ATOM 1564 CB LYS A 102 15.715 -8.838 -8.933 1.00 0.00 C ATOM 1565 CG LYS A 102 15.954 -8.083 -10.231 1.00 0.00 C ATOM 1566 CD LYS A 102 17.437 -7.966 -10.540 1.00 0.00 C ATOM 1567 CE LYS A 102 17.692 -7.894 -12.038 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.076 -6.686 -12.651 1.00 0.00 N ATOM 0 H LYS A 102 15.865 -9.863 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 102 16.978 -7.570 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.352 -9.722 -8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.683 -9.188 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.450 -8.596 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.516 -7.087 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.841 -7.075 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.965 -8.822 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.766 -7.887 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.292 -8.788 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.738 -6.269 -13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.197 -6.954 -13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.863 -5.990 -11.908 1.00 0.00 H new ATOM 1582 N VAL A 103 13.946 -7.100 -6.748 1.00 0.00 N ATOM 1583 CA VAL A 103 12.886 -6.123 -6.547 1.00 0.00 C ATOM 1584 C VAL A 103 13.361 -4.928 -5.718 1.00 0.00 C ATOM 1585 O VAL A 103 13.284 -3.786 -6.166 1.00 0.00 O ATOM 1586 CB VAL A 103 11.677 -6.783 -5.854 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.802 -5.749 -5.157 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.863 -7.580 -6.859 1.00 0.00 C ATOM 0 H VAL A 103 13.835 -7.954 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 103 12.592 -5.756 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 103 12.058 -7.462 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.959 -6.248 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.389 -5.225 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.431 -5.033 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.013 -8.040 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.503 -6.915 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.488 -8.357 -7.299 1.00 0.00 H new ATOM 1598 N ALA A 104 13.848 -5.201 -4.512 1.00 0.00 N ATOM 1599 CA ALA A 104 14.315 -4.153 -3.610 1.00 0.00 C ATOM 1600 C ALA A 104 15.417 -3.294 -4.229 1.00 0.00 C ATOM 1601 O ALA A 104 15.321 -2.066 -4.257 1.00 0.00 O ATOM 1602 CB ALA A 104 14.817 -4.774 -2.318 1.00 0.00 C ATOM 0 H ALA A 104 13.930 -6.145 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 104 13.467 -3.498 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.165 -3.988 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.007 -5.326 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.640 -5.454 -2.537 1.00 0.00 H new ATOM 1608 N VAL A 105 16.457 -3.951 -4.723 1.00 0.00 N ATOM 1609 CA VAL A 105 17.603 -3.261 -5.312 1.00 0.00 C ATOM 1610 C VAL A 105 17.216 -2.412 -6.520 1.00 0.00 C ATOM 1611 O VAL A 105 17.644 -1.266 -6.642 1.00 0.00 O ATOM 1612 CB VAL A 105 18.699 -4.258 -5.737 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.909 -3.522 -6.295 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.097 -5.141 -4.565 1.00 0.00 C ATOM 0 H VAL A 105 16.533 -4.968 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 105 17.986 -2.601 -4.533 1.00 0.00 H new ATOM 0 HB VAL A 105 18.298 -4.895 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.671 -4.244 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.610 -2.936 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.314 -2.858 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.872 -5.839 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.478 -4.520 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.227 -5.698 -4.217 1.00 0.00 H new ATOM 1624 N ASN A 106 16.416 -2.978 -7.413 1.00 0.00 N ATOM 1625 CA ASN A 106 15.998 -2.264 -8.614 1.00 0.00 C ATOM 1626 C ASN A 106 15.020 -1.141 -8.295 1.00 0.00 C ATOM 1627 O ASN A 106 15.090 -0.066 -8.887 1.00 0.00 O ATOM 1628 CB ASN A 106 15.357 -3.226 -9.614 1.00 0.00 C ATOM 1629 CG ASN A 106 16.369 -4.123 -10.300 1.00 0.00 C ATOM 1630 OD1 ASN A 106 16.200 -4.484 -11.463 1.00 0.00 O ATOM 1631 ND2 ASN A 106 17.424 -4.492 -9.582 1.00 0.00 N ATOM 0 H ASN A 106 16.044 -3.924 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 106 16.894 -1.823 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 106 14.623 -3.844 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.817 -2.653 -10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.134 -5.099 -9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.524 -4.169 -8.620 1.00 0.00 H new ATOM 1638 N TYR A 107 14.111 -1.387 -7.357 1.00 0.00 N ATOM 1639 CA TYR A 107 13.115 -0.409 -6.997 1.00 0.00 C ATOM 1640 C TYR A 107 13.762 0.838 -6.404 1.00 0.00 C ATOM 1641 O TYR A 107 13.184 1.923 -6.419 1.00 0.00 O ATOM 1642 CB TYR A 107 12.139 -1.045 -6.025 1.00 0.00 C ATOM 1643 CG TYR A 107 11.178 -0.071 -5.423 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.277 0.636 -6.199 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.190 0.137 -4.069 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.405 1.534 -5.625 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.322 1.031 -3.475 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.429 1.730 -4.263 1.00 0.00 C ATOM 1649 OH TYR A 107 8.554 2.622 -3.689 1.00 0.00 O ATOM 0 H TYR A 107 14.051 -2.262 -6.836 1.00 0.00 H new ATOM 0 HA TYR A 107 12.576 -0.089 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.579 -1.824 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.699 -1.532 -5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.257 0.482 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.891 -0.408 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.706 2.081 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.341 1.182 -2.406 1.00 0.00 H new ATOM 0 HH TYR A 107 7.634 2.315 -3.830 1.00 0.00 H new ATOM 1659 N LEU A 108 14.963 0.655 -5.868 1.00 0.00 N ATOM 1660 CA LEU A 108 15.731 1.741 -5.265 1.00 0.00 C ATOM 1661 C LEU A 108 15.819 2.958 -6.188 1.00 0.00 C ATOM 1662 O LEU A 108 15.895 4.096 -5.722 1.00 0.00 O ATOM 1663 CB LEU A 108 17.144 1.247 -4.943 1.00 0.00 C ATOM 1664 CG LEU A 108 17.614 1.490 -3.510 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.974 0.851 -3.281 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.669 2.982 -3.212 1.00 0.00 C ATOM 0 H LEU A 108 15.433 -0.250 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 108 15.217 2.047 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.191 0.177 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.844 1.732 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 108 16.898 1.030 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 108 19.294 1.034 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.905 -0.223 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.700 1.283 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.006 3.136 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.364 3.465 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.676 3.415 -3.337 1.00 0.00 H new ATOM 1678 N GLU A 109 15.809 2.712 -7.495 1.00 0.00 N ATOM 1679 CA GLU A 109 15.909 3.785 -8.482 1.00 0.00 C ATOM 1680 C GLU A 109 14.697 4.716 -8.439 1.00 0.00 C ATOM 1681 O GLU A 109 14.691 5.764 -9.084 1.00 0.00 O ATOM 1682 CB GLU A 109 16.063 3.194 -9.885 1.00 0.00 C ATOM 1683 CG GLU A 109 14.791 2.560 -10.424 1.00 0.00 C ATOM 1684 CD GLU A 109 14.997 1.889 -11.768 1.00 0.00 C ATOM 1685 OE1 GLU A 109 15.004 2.603 -12.792 1.00 0.00 O ATOM 1686 OE2 GLU A 109 15.154 0.651 -11.794 1.00 0.00 O ATOM 0 H GLU A 109 15.733 1.778 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 109 16.790 4.378 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.384 3.981 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.854 2.444 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.424 1.825 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 109 14.020 3.325 -10.518 1.00 0.00 H new ATOM 1693 N THR A 110 13.677 4.333 -7.678 1.00 0.00 N ATOM 1694 CA THR A 110 12.466 5.139 -7.563 1.00 0.00 C ATOM 1695 C THR A 110 12.073 5.349 -6.104 1.00 0.00 C ATOM 1696 O THR A 110 10.929 5.694 -5.806 1.00 0.00 O ATOM 1697 CB THR A 110 11.285 4.492 -8.311 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.059 3.166 -7.817 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.552 4.443 -9.807 1.00 0.00 C ATOM 0 H THR A 110 13.664 3.471 -7.132 1.00 0.00 H new ATOM 0 HA THR A 110 12.691 6.104 -8.016 1.00 0.00 H new ATOM 0 HB THR A 110 10.397 5.100 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.839 2.871 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.704 3.982 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.693 5.456 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.451 3.856 -9.997 1.00 0.00 H new ATOM 1707 N HIS A 111 13.032 5.146 -5.201 1.00 0.00 N ATOM 1708 CA HIS A 111 12.795 5.314 -3.768 1.00 0.00 C ATOM 1709 C HIS A 111 11.741 4.332 -3.270 1.00 0.00 C ATOM 1710 O HIS A 111 12.124 3.324 -2.640 1.00 0.00 O ATOM 1711 CB HIS A 111 12.355 6.747 -3.457 1.00 0.00 C ATOM 1712 CG HIS A 111 13.191 7.791 -4.129 1.00 0.00 C ATOM 1713 ND1 HIS A 111 12.778 8.475 -5.253 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.422 8.270 -3.830 1.00 0.00 C ATOM 1715 CE1 HIS A 111 13.719 9.328 -5.617 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.726 9.224 -4.769 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.542 4.580 -3.511 1.00 0.00 O ATOM 0 H HIS A 111 13.983 4.864 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 111 13.733 5.111 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.316 6.873 -3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.391 6.903 -2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.048 7.959 -3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.673 9.997 -6.464 1.00 0.00 H new ATOM 0 HE2 HIS A 111 15.590 9.765 -4.806 1.00 0.00 H new TER 1726 HIS A 111