USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=17 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 107 TYR OH : rot -163:sc= -1.58 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0493 X(o=-1.6,f=-1.6) USER MOD Set 2.1: A 48 ASN : amide:sc= -1.63 X(o=-6.8,f=-6.6) USER MOD Set 2.2: A 79 GLN : amide:sc= -5.13! C(o=-6.8!,f=-9.2!) USER MOD Set 3.1: A 14 THR OG1 : rot -4:sc= 0.522 USER MOD Set 3.2: A 19 MET CE :methyl 145:sc= -0.695 (180deg=-3.12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.1 K(o=-1.1,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -2.49! (180deg=-4.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 60:sc= 0.579 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2! C(o=-2!,f=-2.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.291 F(o=-0.99,f=-0.29) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -27:sc= 0.0593 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -9:sc= -3.62! USER MOD Single : A 89 MET CE :methyl -157:sc= -1.29 (180deg=-3.6!) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0961 (180deg=-0.421) USER MOD Single : A 95 THR OG1 : rot 151:sc= 0.0221 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 110 THR OG1 : rot -45:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.597 7.864 -6.007 1.00 0.00 N ATOM 2 CA MET A 1 -17.571 9.283 -5.567 1.00 0.00 C ATOM 3 C MET A 1 -18.986 9.842 -5.470 1.00 0.00 C ATOM 4 O MET A 1 -19.802 9.655 -6.373 1.00 0.00 O ATOM 5 CB MET A 1 -16.747 10.122 -6.546 1.00 0.00 C ATOM 6 CG MET A 1 -16.481 11.536 -6.058 1.00 0.00 C ATOM 7 SD MET A 1 -15.538 11.572 -4.520 1.00 0.00 S ATOM 8 CE MET A 1 -15.458 13.334 -4.212 1.00 0.00 C ATOM 0 H1 MET A 1 -16.624 7.501 -6.067 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.136 7.298 -5.321 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.049 7.798 -6.941 1.00 0.00 H new ATOM 0 HA MET A 1 -17.110 9.328 -4.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.795 9.624 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.269 10.168 -7.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.937 12.086 -6.826 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.431 12.050 -5.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.904 13.518 -3.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.954 13.826 -5.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.468 13.732 -4.113 1.00 0.00 H new ATOM 18 N ALA A 2 -19.272 10.530 -4.369 1.00 0.00 N ATOM 19 CA ALA A 2 -20.591 11.115 -4.154 1.00 0.00 C ATOM 20 C ALA A 2 -20.515 12.325 -3.228 1.00 0.00 C ATOM 21 O ALA A 2 -20.780 13.454 -3.644 1.00 0.00 O ATOM 22 CB ALA A 2 -21.543 10.073 -3.588 1.00 0.00 C ATOM 0 H ALA A 2 -18.609 10.696 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.971 11.455 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.524 10.523 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.632 9.243 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.157 9.706 -2.637 1.00 0.00 H new ATOM 28 N ASP A 3 -20.155 12.085 -1.970 1.00 0.00 N ATOM 29 CA ASP A 3 -20.051 13.158 -0.988 1.00 0.00 C ATOM 30 C ASP A 3 -18.622 13.291 -0.468 1.00 0.00 C ATOM 31 O ASP A 3 -17.853 14.123 -0.950 1.00 0.00 O ATOM 32 CB ASP A 3 -21.010 12.905 0.175 1.00 0.00 C ATOM 33 CG ASP A 3 -22.448 12.751 -0.282 1.00 0.00 C ATOM 34 OD1 ASP A 3 -22.856 11.608 -0.579 1.00 0.00 O ATOM 35 OD2 ASP A 3 -23.164 13.772 -0.345 1.00 0.00 O ATOM 0 H ASP A 3 -19.931 11.158 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.323 14.092 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.702 12.004 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.943 13.731 0.883 1.00 0.00 H new ATOM 40 N GLU A 4 -18.272 12.465 0.515 1.00 0.00 N ATOM 41 CA GLU A 4 -16.934 12.495 1.098 1.00 0.00 C ATOM 42 C GLU A 4 -16.622 11.173 1.798 1.00 0.00 C ATOM 43 O GLU A 4 -16.153 11.155 2.937 1.00 0.00 O ATOM 44 CB GLU A 4 -16.814 13.657 2.090 1.00 0.00 C ATOM 45 CG GLU A 4 -15.379 13.989 2.470 1.00 0.00 C ATOM 46 CD GLU A 4 -15.290 15.105 3.492 1.00 0.00 C ATOM 47 OE1 GLU A 4 -15.480 14.826 4.694 1.00 0.00 O ATOM 48 OE2 GLU A 4 -15.029 16.258 3.089 1.00 0.00 O ATOM 0 H GLU A 4 -18.895 11.768 0.923 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.212 12.640 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.280 14.542 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.372 13.411 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.897 13.097 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.827 14.276 1.575 1.00 0.00 H new ATOM 55 N ASN A 5 -16.889 10.069 1.103 1.00 0.00 N ATOM 56 CA ASN A 5 -16.642 8.735 1.646 1.00 0.00 C ATOM 57 C ASN A 5 -17.459 8.503 2.916 1.00 0.00 C ATOM 58 O ASN A 5 -17.262 7.514 3.623 1.00 0.00 O ATOM 59 CB ASN A 5 -15.150 8.546 1.939 1.00 0.00 C ATOM 60 CG ASN A 5 -14.798 7.106 2.261 1.00 0.00 C ATOM 61 OD1 ASN A 5 -15.439 6.174 1.774 1.00 0.00 O ATOM 62 ND2 ASN A 5 -13.775 6.917 3.085 1.00 0.00 N ATOM 0 H ASN A 5 -17.278 10.072 0.160 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.952 8.004 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.570 8.874 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.864 9.182 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.492 5.970 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.272 7.719 3.465 1.00 0.00 H new ATOM 69 N LYS A 6 -18.385 9.417 3.192 1.00 0.00 N ATOM 70 CA LYS A 6 -19.234 9.314 4.373 1.00 0.00 C ATOM 71 C LYS A 6 -20.165 8.114 4.259 1.00 0.00 C ATOM 72 O LYS A 6 -20.603 7.770 3.161 1.00 0.00 O ATOM 73 CB LYS A 6 -20.047 10.597 4.551 1.00 0.00 C ATOM 74 CG LYS A 6 -20.773 10.682 5.884 1.00 0.00 C ATOM 75 CD LYS A 6 -21.601 11.956 5.994 1.00 0.00 C ATOM 76 CE LYS A 6 -20.738 13.171 6.311 1.00 0.00 C ATOM 77 NZ LYS A 6 -19.785 13.487 5.210 1.00 0.00 N ATOM 0 H LYS A 6 -18.566 10.237 2.613 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.597 9.176 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.381 11.455 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.777 10.669 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.423 9.815 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.047 10.648 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.134 12.124 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.354 11.833 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.380 14.033 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.181 12.989 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.574 14.505 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.905 12.950 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.210 13.226 4.297 1.00 0.00 H new ATOM 91 N TRP A 7 -20.453 7.482 5.400 1.00 0.00 N ATOM 92 CA TRP A 7 -21.327 6.307 5.451 1.00 0.00 C ATOM 93 C TRP A 7 -20.609 5.066 4.909 1.00 0.00 C ATOM 94 O TRP A 7 -20.787 3.967 5.430 1.00 0.00 O ATOM 95 CB TRP A 7 -22.640 6.580 4.697 1.00 0.00 C ATOM 96 CG TRP A 7 -23.168 5.413 3.918 1.00 0.00 C ATOM 97 CD1 TRP A 7 -22.937 5.142 2.602 1.00 0.00 C ATOM 98 CD2 TRP A 7 -24.023 4.373 4.402 1.00 0.00 C ATOM 99 NE1 TRP A 7 -23.594 3.992 2.237 1.00 0.00 N ATOM 100 CE2 TRP A 7 -24.267 3.501 3.325 1.00 0.00 C ATOM 101 CE3 TRP A 7 -24.603 4.091 5.642 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -25.067 2.369 3.450 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -25.397 2.967 5.766 1.00 0.00 C ATOM 104 CH2 TRP A 7 -25.623 2.118 4.675 1.00 0.00 C ATOM 0 H TRP A 7 -20.089 7.768 6.309 1.00 0.00 H new ATOM 0 HA TRP A 7 -21.578 6.106 6.493 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -23.398 6.893 5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -22.484 7.415 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -22.327 5.743 1.943 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -23.583 3.572 1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -24.434 4.740 6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -25.243 1.712 2.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -25.851 2.739 6.719 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -26.249 1.247 4.803 1.00 0.00 H new ATOM 115 N VAL A 8 -19.798 5.261 3.867 1.00 0.00 N ATOM 116 CA VAL A 8 -19.023 4.184 3.246 1.00 0.00 C ATOM 117 C VAL A 8 -19.873 2.963 2.910 1.00 0.00 C ATOM 118 O VAL A 8 -21.066 2.906 3.208 1.00 0.00 O ATOM 119 CB VAL A 8 -17.819 3.774 4.131 1.00 0.00 C ATOM 120 CG1 VAL A 8 -18.171 2.633 5.077 1.00 0.00 C ATOM 121 CG2 VAL A 8 -16.618 3.407 3.270 1.00 0.00 C ATOM 0 H VAL A 8 -19.660 6.172 3.429 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.647 4.585 2.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.558 4.637 4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.299 2.377 5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.986 2.942 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.480 1.763 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.784 3.122 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.878 2.571 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.331 4.264 2.661 1.00 0.00 H new ATOM 131 N ARG A 9 -19.239 1.991 2.269 1.00 0.00 N ATOM 132 CA ARG A 9 -19.913 0.773 1.866 1.00 0.00 C ATOM 133 C ARG A 9 -19.798 -0.289 2.945 1.00 0.00 C ATOM 134 O ARG A 9 -19.509 -1.451 2.659 1.00 0.00 O ATOM 135 CB ARG A 9 -19.324 0.260 0.552 1.00 0.00 C ATOM 136 CG ARG A 9 -19.385 1.272 -0.581 1.00 0.00 C ATOM 137 CD ARG A 9 -20.792 1.397 -1.146 1.00 0.00 C ATOM 138 NE ARG A 9 -21.149 0.253 -1.982 1.00 0.00 N ATOM 139 CZ ARG A 9 -22.120 0.277 -2.891 1.00 0.00 C ATOM 140 NH1 ARG A 9 -22.837 1.379 -3.072 1.00 0.00 N ATOM 141 NH2 ARG A 9 -22.375 -0.801 -3.619 1.00 0.00 N ATOM 0 H ARG A 9 -18.251 2.027 2.017 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.970 0.995 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.285 -0.026 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.859 -0.641 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.050 2.244 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -18.699 0.973 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.505 1.484 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.867 2.313 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.624 -0.613 -1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -22.644 2.210 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.581 1.395 -3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.826 -1.650 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.120 -0.781 -4.316 1.00 0.00 H new ATOM 155 N ARG A 10 -20.017 0.117 4.190 1.00 0.00 N ATOM 156 CA ARG A 10 -19.957 -0.815 5.301 1.00 0.00 C ATOM 157 C ARG A 10 -21.026 -1.881 5.114 1.00 0.00 C ATOM 158 O ARG A 10 -22.212 -1.620 5.318 1.00 0.00 O ATOM 159 CB ARG A 10 -20.157 -0.087 6.631 1.00 0.00 C ATOM 160 CG ARG A 10 -19.698 -0.898 7.830 1.00 0.00 C ATOM 161 CD ARG A 10 -19.927 -0.153 9.137 1.00 0.00 C ATOM 162 NE ARG A 10 -19.404 -0.893 10.283 1.00 0.00 N ATOM 163 CZ ARG A 10 -19.979 -0.899 11.483 1.00 0.00 C ATOM 164 NH1 ARG A 10 -21.092 -0.208 11.693 1.00 0.00 N ATOM 165 NH2 ARG A 10 -19.440 -1.599 12.473 1.00 0.00 N ATOM 0 H ARG A 10 -20.236 1.078 4.451 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.973 -1.284 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.611 0.856 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -21.212 0.158 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -20.234 -1.847 7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.639 -1.133 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.448 0.825 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.994 0.022 9.274 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.550 -1.436 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -21.509 0.330 10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.530 -0.215 12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.585 -2.132 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.880 -1.604 13.393 1.00 0.00 H new ATOM 179 N ASP A 11 -20.599 -3.076 4.709 1.00 0.00 N ATOM 180 CA ASP A 11 -21.521 -4.179 4.469 1.00 0.00 C ATOM 181 C ASP A 11 -22.394 -3.874 3.254 1.00 0.00 C ATOM 182 O ASP A 11 -23.410 -4.528 3.021 1.00 0.00 O ATOM 183 CB ASP A 11 -22.399 -4.421 5.699 1.00 0.00 C ATOM 184 CG ASP A 11 -23.186 -5.713 5.609 1.00 0.00 C ATOM 185 OD1 ASP A 11 -22.611 -6.781 5.908 1.00 0.00 O ATOM 186 OD2 ASP A 11 -24.379 -5.657 5.242 1.00 0.00 O ATOM 0 H ASP A 11 -19.619 -3.303 4.541 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.941 -5.081 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.771 -4.444 6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.090 -3.586 5.817 1.00 0.00 H new ATOM 191 N VAL A 12 -21.981 -2.873 2.479 1.00 0.00 N ATOM 192 CA VAL A 12 -22.720 -2.468 1.291 1.00 0.00 C ATOM 193 C VAL A 12 -22.141 -3.104 0.027 1.00 0.00 C ATOM 194 O VAL A 12 -21.416 -2.458 -0.731 1.00 0.00 O ATOM 195 CB VAL A 12 -22.740 -0.929 1.137 1.00 0.00 C ATOM 196 CG1 VAL A 12 -23.642 -0.515 -0.016 1.00 0.00 C ATOM 197 CG2 VAL A 12 -23.192 -0.275 2.432 1.00 0.00 C ATOM 0 H VAL A 12 -21.137 -2.328 2.655 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.743 -2.821 1.421 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.728 -0.592 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.641 0.571 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -23.274 -0.956 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.658 -0.863 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -23.201 0.808 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -24.195 -0.620 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -22.505 -0.543 3.234 1.00 0.00 H new ATOM 207 N SER A 13 -22.465 -4.381 -0.177 1.00 0.00 N ATOM 208 CA SER A 13 -22.009 -5.132 -1.350 1.00 0.00 C ATOM 209 C SER A 13 -20.489 -5.300 -1.382 1.00 0.00 C ATOM 210 O SER A 13 -19.747 -4.321 -1.414 1.00 0.00 O ATOM 211 CB SER A 13 -22.483 -4.448 -2.635 1.00 0.00 C ATOM 212 OG SER A 13 -22.049 -5.160 -3.782 1.00 0.00 O ATOM 0 H SER A 13 -23.048 -4.923 0.461 1.00 0.00 H new ATOM 0 HA SER A 13 -22.446 -6.128 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.571 -4.381 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.101 -3.428 -2.670 1.00 0.00 H new ATOM 0 HG SER A 13 -22.366 -4.704 -4.589 1.00 0.00 H new ATOM 218 N THR A 14 -20.050 -6.562 -1.381 1.00 0.00 N ATOM 219 CA THR A 14 -18.628 -6.918 -1.433 1.00 0.00 C ATOM 220 C THR A 14 -17.824 -6.317 -0.281 1.00 0.00 C ATOM 221 O THR A 14 -18.023 -5.168 0.106 1.00 0.00 O ATOM 222 CB THR A 14 -17.992 -6.501 -2.772 1.00 0.00 C ATOM 223 OG1 THR A 14 -17.878 -5.075 -2.849 1.00 0.00 O ATOM 224 CG2 THR A 14 -18.814 -7.013 -3.943 1.00 0.00 C ATOM 0 H THR A 14 -20.673 -7.369 -1.344 1.00 0.00 H new ATOM 0 HA THR A 14 -18.592 -8.003 -1.337 1.00 0.00 H new ATOM 0 HB THR A 14 -16.997 -6.942 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.292 -4.671 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 -18.345 -6.706 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.866 -8.101 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 14 -19.821 -6.599 -3.889 1.00 0.00 H new ATOM 232 N ALA A 15 -16.911 -7.118 0.267 1.00 0.00 N ATOM 233 CA ALA A 15 -16.072 -6.686 1.382 1.00 0.00 C ATOM 234 C ALA A 15 -14.692 -6.196 0.932 1.00 0.00 C ATOM 235 O ALA A 15 -14.364 -5.019 1.070 1.00 0.00 O ATOM 236 CB ALA A 15 -15.920 -7.820 2.385 1.00 0.00 C ATOM 0 H ALA A 15 -16.734 -8.073 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.573 -5.838 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.293 -7.491 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.902 -8.105 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.456 -8.677 1.897 1.00 0.00 H new ATOM 242 N LEU A 16 -13.881 -7.112 0.407 1.00 0.00 N ATOM 243 CA LEU A 16 -12.520 -6.789 -0.025 1.00 0.00 C ATOM 244 C LEU A 16 -12.460 -6.258 -1.458 1.00 0.00 C ATOM 245 O LEU A 16 -11.421 -5.753 -1.886 1.00 0.00 O ATOM 246 CB LEU A 16 -11.614 -8.019 0.097 1.00 0.00 C ATOM 247 CG LEU A 16 -11.760 -8.817 1.393 1.00 0.00 C ATOM 248 CD1 LEU A 16 -12.807 -9.912 1.241 1.00 0.00 C ATOM 249 CD2 LEU A 16 -10.422 -9.414 1.799 1.00 0.00 C ATOM 0 H LEU A 16 -14.143 -8.088 0.269 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.169 -5.996 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.817 -8.683 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.577 -7.696 0.004 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.092 -8.137 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.893 -10.466 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.770 -9.463 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.509 -10.592 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.541 -9.979 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.066 -10.078 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.698 -8.614 1.954 1.00 0.00 H new ATOM 261 N SER A 17 -13.559 -6.380 -2.197 1.00 0.00 N ATOM 262 CA SER A 17 -13.595 -5.941 -3.595 1.00 0.00 C ATOM 263 C SER A 17 -12.949 -4.569 -3.794 1.00 0.00 C ATOM 264 O SER A 17 -12.057 -4.425 -4.632 1.00 0.00 O ATOM 265 CB SER A 17 -15.036 -5.902 -4.100 1.00 0.00 C ATOM 266 OG SER A 17 -15.093 -5.474 -5.450 1.00 0.00 O ATOM 0 H SER A 17 -14.435 -6.777 -1.856 1.00 0.00 H new ATOM 0 HA SER A 17 -13.017 -6.666 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.483 -6.892 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.625 -5.229 -3.477 1.00 0.00 H new ATOM 0 HG SER A 17 -16.026 -5.459 -5.749 1.00 0.00 H new ATOM 272 N ARG A 18 -13.381 -3.574 -3.019 1.00 0.00 N ATOM 273 CA ARG A 18 -12.833 -2.218 -3.134 1.00 0.00 C ATOM 274 C ARG A 18 -13.578 -1.231 -2.238 1.00 0.00 C ATOM 275 O ARG A 18 -13.835 -0.095 -2.637 1.00 0.00 O ATOM 276 CB ARG A 18 -12.903 -1.731 -4.585 1.00 0.00 C ATOM 277 CG ARG A 18 -14.300 -1.800 -5.183 1.00 0.00 C ATOM 278 CD ARG A 18 -14.340 -1.193 -6.576 1.00 0.00 C ATOM 279 NE ARG A 18 -13.460 -1.895 -7.506 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.941 -1.337 -8.596 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.204 -0.069 -8.885 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.155 -2.045 -9.395 1.00 0.00 N ATOM 0 H ARG A 18 -14.105 -3.678 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.793 -2.264 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.547 -0.702 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.226 -2.330 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.627 -2.839 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.001 -1.273 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.362 -1.220 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.048 -0.144 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.230 -2.869 -7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.805 0.480 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.805 0.357 -9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.948 -3.019 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.758 -1.616 -10.231 1.00 0.00 H new ATOM 296 N MET A 19 -13.913 -1.658 -1.027 1.00 0.00 N ATOM 297 CA MET A 19 -14.629 -0.797 -0.092 1.00 0.00 C ATOM 298 C MET A 19 -13.700 0.263 0.493 1.00 0.00 C ATOM 299 O MET A 19 -14.142 1.163 1.209 1.00 0.00 O ATOM 300 CB MET A 19 -15.255 -1.629 1.025 1.00 0.00 C ATOM 301 CG MET A 19 -16.086 -2.801 0.525 1.00 0.00 C ATOM 302 SD MET A 19 -17.571 -2.292 -0.367 1.00 0.00 S ATOM 303 CE MET A 19 -16.940 -2.096 -2.032 1.00 0.00 C ATOM 0 H MET A 19 -13.702 -2.590 -0.670 1.00 0.00 H new ATOM 0 HA MET A 19 -15.424 -0.289 -0.638 1.00 0.00 H new ATOM 0 HB2 MET A 19 -14.463 -2.007 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.885 -0.983 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.472 -3.421 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 19 -16.375 -3.421 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.704 -2.397 -2.749 1.00 0.00 H new ATOM 0 HE2 MET A 19 -16.676 -1.052 -2.201 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.055 -2.719 -2.162 1.00 0.00 H new ATOM 313 N GLY A 20 -12.412 0.150 0.183 1.00 0.00 N ATOM 314 CA GLY A 20 -11.439 1.109 0.676 1.00 0.00 C ATOM 315 C GLY A 20 -11.310 1.103 2.187 1.00 0.00 C ATOM 316 O GLY A 20 -10.718 0.191 2.763 1.00 0.00 O ATOM 0 H GLY A 20 -12.024 -0.590 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.467 0.891 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.723 2.108 0.346 1.00 0.00 H new ATOM 320 N ASP A 21 -11.864 2.129 2.828 1.00 0.00 N ATOM 321 CA ASP A 21 -11.805 2.253 4.280 1.00 0.00 C ATOM 322 C ASP A 21 -12.406 1.031 4.967 1.00 0.00 C ATOM 323 O ASP A 21 -11.899 0.573 5.991 1.00 0.00 O ATOM 324 CB ASP A 21 -12.540 3.516 4.733 1.00 0.00 C ATOM 325 CG ASP A 21 -12.455 3.729 6.232 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.402 4.207 6.705 1.00 0.00 O ATOM 327 OD2 ASP A 21 -13.441 3.419 6.933 1.00 0.00 O ATOM 0 H ASP A 21 -12.360 2.888 2.362 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.755 2.323 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.119 4.381 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.587 3.449 4.437 1.00 0.00 H new ATOM 332 N GLU A 22 -13.488 0.506 4.400 1.00 0.00 N ATOM 333 CA GLU A 22 -14.152 -0.660 4.966 1.00 0.00 C ATOM 334 C GLU A 22 -13.432 -1.945 4.574 1.00 0.00 C ATOM 335 O GLU A 22 -13.618 -2.989 5.201 1.00 0.00 O ATOM 336 CB GLU A 22 -15.611 -0.716 4.512 1.00 0.00 C ATOM 337 CG GLU A 22 -16.396 -1.859 5.136 1.00 0.00 C ATOM 338 CD GLU A 22 -16.324 -1.853 6.649 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.562 -0.785 7.252 1.00 0.00 O ATOM 340 OE2 GLU A 22 -16.022 -2.915 7.234 1.00 0.00 O ATOM 0 H GLU A 22 -13.922 0.869 3.551 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.122 -0.569 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.097 0.227 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.642 -0.814 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.438 -1.792 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.011 -2.807 4.761 1.00 0.00 H new ATOM 347 N ALA A 23 -12.608 -1.865 3.535 1.00 0.00 N ATOM 348 CA ALA A 23 -11.861 -3.024 3.067 1.00 0.00 C ATOM 349 C ALA A 23 -10.451 -3.022 3.639 1.00 0.00 C ATOM 350 O ALA A 23 -9.676 -3.949 3.413 1.00 0.00 O ATOM 351 CB ALA A 23 -11.821 -3.053 1.547 1.00 0.00 C ATOM 0 H ALA A 23 -12.441 -1.011 3.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.369 -3.923 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.259 -3.926 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.838 -3.106 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.338 -2.148 1.178 1.00 0.00 H new ATOM 357 N PHE A 24 -10.132 -1.972 4.388 1.00 0.00 N ATOM 358 CA PHE A 24 -8.823 -1.834 5.007 1.00 0.00 C ATOM 359 C PHE A 24 -8.505 -3.058 5.848 1.00 0.00 C ATOM 360 O PHE A 24 -7.522 -3.754 5.606 1.00 0.00 O ATOM 361 CB PHE A 24 -8.795 -0.579 5.874 1.00 0.00 C ATOM 362 CG PHE A 24 -7.416 -0.052 6.112 1.00 0.00 C ATOM 363 CD1 PHE A 24 -6.714 0.566 5.091 1.00 0.00 C ATOM 364 CD2 PHE A 24 -6.820 -0.178 7.352 1.00 0.00 C ATOM 365 CE1 PHE A 24 -5.442 1.052 5.304 1.00 0.00 C ATOM 366 CE2 PHE A 24 -5.548 0.306 7.573 1.00 0.00 C ATOM 367 CZ PHE A 24 -4.856 0.923 6.547 1.00 0.00 C ATOM 0 H PHE A 24 -10.769 -1.199 4.581 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.068 -1.746 4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.395 0.196 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.263 -0.799 6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.168 0.668 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.356 -0.660 8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.905 1.533 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.092 0.203 8.547 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.860 1.303 6.718 1.00 0.00 H new ATOM 377 N GLU A 25 -9.342 -3.314 6.839 1.00 0.00 N ATOM 378 CA GLU A 25 -9.156 -4.458 7.714 1.00 0.00 C ATOM 379 C GLU A 25 -9.266 -5.786 6.958 1.00 0.00 C ATOM 380 O GLU A 25 -8.348 -6.600 7.021 1.00 0.00 O ATOM 381 CB GLU A 25 -10.166 -4.434 8.843 1.00 0.00 C ATOM 382 CG GLU A 25 -9.597 -3.957 10.169 1.00 0.00 C ATOM 383 CD GLU A 25 -9.088 -2.530 10.106 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.891 -1.602 10.342 1.00 0.00 O ATOM 385 OE2 GLU A 25 -7.887 -2.340 9.819 1.00 0.00 O ATOM 0 H GLU A 25 -10.159 -2.743 7.058 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.148 -4.384 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.996 -3.786 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.574 -5.436 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.366 -4.031 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.782 -4.616 10.469 1.00 0.00 H new ATOM 392 N PRO A 26 -10.394 -6.036 6.240 1.00 0.00 N ATOM 393 CA PRO A 26 -10.586 -7.283 5.490 1.00 0.00 C ATOM 394 C PRO A 26 -9.323 -7.695 4.749 1.00 0.00 C ATOM 395 O PRO A 26 -9.049 -8.879 4.560 1.00 0.00 O ATOM 396 CB PRO A 26 -11.695 -6.926 4.506 1.00 0.00 C ATOM 397 CG PRO A 26 -12.509 -5.903 5.217 1.00 0.00 C ATOM 398 CD PRO A 26 -11.554 -5.132 6.093 1.00 0.00 C ATOM 0 HA PRO A 26 -10.829 -8.127 6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.288 -6.532 3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.293 -7.800 4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.006 -5.241 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.290 -6.374 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.267 -4.186 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -12.001 -4.896 7.059 1.00 0.00 H new ATOM 406 N LEU A 27 -8.562 -6.692 4.337 1.00 0.00 N ATOM 407 CA LEU A 27 -7.311 -6.904 3.634 1.00 0.00 C ATOM 408 C LEU A 27 -6.280 -7.529 4.566 1.00 0.00 C ATOM 409 O LEU A 27 -5.760 -8.612 4.301 1.00 0.00 O ATOM 410 CB LEU A 27 -6.802 -5.564 3.120 1.00 0.00 C ATOM 411 CG LEU A 27 -7.468 -5.057 1.840 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.093 -3.607 1.583 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.081 -5.925 0.653 1.00 0.00 C ATOM 0 H LEU A 27 -8.796 -5.710 4.482 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.475 -7.583 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.941 -4.817 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.729 -5.645 2.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.549 -5.117 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.576 -3.263 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.422 -2.992 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.011 -3.524 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.565 -5.547 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.999 -5.900 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.400 -6.951 0.833 1.00 0.00 H new ATOM 425 N LEU A 28 -5.992 -6.830 5.662 1.00 0.00 N ATOM 426 CA LEU A 28 -5.038 -7.311 6.655 1.00 0.00 C ATOM 427 C LEU A 28 -5.525 -8.622 7.269 1.00 0.00 C ATOM 428 O LEU A 28 -4.735 -9.407 7.796 1.00 0.00 O ATOM 429 CB LEU A 28 -4.842 -6.244 7.740 1.00 0.00 C ATOM 430 CG LEU A 28 -4.246 -6.736 9.063 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.856 -7.318 8.847 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.193 -5.601 10.072 1.00 0.00 C ATOM 0 H LEU A 28 -6.408 -5.926 5.884 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.080 -7.500 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.195 -5.462 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.808 -5.783 7.948 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.889 -7.524 9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.453 -7.661 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.917 -8.158 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.202 -6.552 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.767 -5.965 11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.573 -4.795 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.201 -5.228 10.253 1.00 0.00 H new ATOM 444 N GLU A 29 -6.829 -8.859 7.182 1.00 0.00 N ATOM 445 CA GLU A 29 -7.428 -10.071 7.726 1.00 0.00 C ATOM 446 C GLU A 29 -7.166 -11.259 6.807 1.00 0.00 C ATOM 447 O GLU A 29 -7.119 -12.406 7.254 1.00 0.00 O ATOM 448 CB GLU A 29 -8.934 -9.878 7.914 1.00 0.00 C ATOM 449 CG GLU A 29 -9.617 -11.051 8.599 1.00 0.00 C ATOM 450 CD GLU A 29 -11.122 -10.886 8.673 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.601 -10.225 9.618 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.823 -11.420 7.787 1.00 0.00 O ATOM 0 H GLU A 29 -7.493 -8.225 6.738 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.972 -10.274 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.106 -8.975 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.396 -9.718 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.382 -11.969 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.217 -11.162 9.607 1.00 0.00 H new ATOM 459 N SER A 30 -6.998 -10.976 5.519 1.00 0.00 N ATOM 460 CA SER A 30 -6.741 -12.017 4.530 1.00 0.00 C ATOM 461 C SER A 30 -5.406 -12.704 4.795 1.00 0.00 C ATOM 462 O SER A 30 -5.205 -13.858 4.415 1.00 0.00 O ATOM 463 CB SER A 30 -6.751 -11.424 3.120 1.00 0.00 C ATOM 464 OG SER A 30 -8.043 -10.954 2.774 1.00 0.00 O ATOM 0 H SER A 30 -7.035 -10.032 5.135 1.00 0.00 H new ATOM 0 HA SER A 30 -7.533 -12.761 4.610 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.035 -10.605 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.431 -12.179 2.402 1.00 0.00 H new ATOM 0 HG SER A 30 -8.321 -10.263 3.411 1.00 0.00 H new ATOM 470 N LEU A 31 -4.495 -11.986 5.445 1.00 0.00 N ATOM 471 CA LEU A 31 -3.179 -12.529 5.760 1.00 0.00 C ATOM 472 C LEU A 31 -3.293 -13.690 6.742 1.00 0.00 C ATOM 473 O LEU A 31 -2.361 -14.479 6.898 1.00 0.00 O ATOM 474 CB LEU A 31 -2.280 -11.438 6.346 1.00 0.00 C ATOM 475 CG LEU A 31 -2.042 -10.230 5.437 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.220 -9.175 6.161 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.348 -10.653 4.151 1.00 0.00 C ATOM 0 H LEU A 31 -4.644 -11.028 5.763 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.735 -12.898 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.722 -11.089 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.315 -11.880 6.596 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.010 -9.800 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.060 -8.323 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.753 -8.848 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.257 -9.598 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.188 -9.779 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.387 -11.109 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.971 -11.374 3.622 1.00 0.00 H new ATOM 489 N SER A 32 -4.443 -13.786 7.401 1.00 0.00 N ATOM 490 CA SER A 32 -4.684 -14.848 8.371 1.00 0.00 C ATOM 491 C SER A 32 -5.566 -15.943 7.779 1.00 0.00 C ATOM 492 O SER A 32 -6.121 -16.764 8.510 1.00 0.00 O ATOM 493 CB SER A 32 -5.338 -14.276 9.630 1.00 0.00 C ATOM 494 OG SER A 32 -4.524 -13.277 10.219 1.00 0.00 O ATOM 0 H SER A 32 -5.224 -13.140 7.281 1.00 0.00 H new ATOM 0 HA SER A 32 -3.722 -15.288 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.311 -13.855 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.513 -15.077 10.348 1.00 0.00 H new ATOM 0 HG SER A 32 -4.965 -12.926 11.021 1.00 0.00 H new ATOM 500 N ASN A 33 -5.689 -15.956 6.454 1.00 0.00 N ATOM 501 CA ASN A 33 -6.508 -16.957 5.782 1.00 0.00 C ATOM 502 C ASN A 33 -5.666 -18.137 5.316 1.00 0.00 C ATOM 503 O ASN A 33 -4.520 -17.972 4.897 1.00 0.00 O ATOM 504 CB ASN A 33 -7.246 -16.344 4.593 1.00 0.00 C ATOM 505 CG ASN A 33 -8.412 -15.480 5.022 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.957 -15.649 6.114 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.808 -14.553 4.161 1.00 0.00 N ATOM 0 H ASN A 33 -5.235 -15.289 5.830 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.240 -17.320 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.550 -15.745 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.607 -17.141 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.593 -13.945 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.327 -14.448 3.268 1.00 0.00 H new ATOM 514 N GLU A 34 -6.248 -19.328 5.393 1.00 0.00 N ATOM 515 CA GLU A 34 -5.565 -20.545 4.988 1.00 0.00 C ATOM 516 C GLU A 34 -5.337 -20.565 3.480 1.00 0.00 C ATOM 517 O GLU A 34 -4.527 -21.341 2.974 1.00 0.00 O ATOM 518 CB GLU A 34 -6.379 -21.765 5.415 1.00 0.00 C ATOM 519 CG GLU A 34 -5.596 -23.061 5.358 1.00 0.00 C ATOM 520 CD GLU A 34 -6.389 -24.247 5.875 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.103 -24.880 5.069 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.295 -24.542 7.085 1.00 0.00 O ATOM 0 H GLU A 34 -7.198 -19.474 5.735 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.592 -20.574 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.742 -21.613 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.256 -21.850 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.293 -23.253 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.683 -22.956 5.945 1.00 0.00 H new ATOM 529 N ASP A 35 -6.059 -19.706 2.765 1.00 0.00 N ATOM 530 CA ASP A 35 -5.937 -19.623 1.315 1.00 0.00 C ATOM 531 C ASP A 35 -4.787 -18.697 0.923 1.00 0.00 C ATOM 532 O ASP A 35 -4.342 -17.875 1.724 1.00 0.00 O ATOM 533 CB ASP A 35 -7.246 -19.124 0.700 1.00 0.00 C ATOM 534 CG ASP A 35 -7.258 -19.236 -0.812 1.00 0.00 C ATOM 535 OD1 ASP A 35 -7.567 -20.331 -1.325 1.00 0.00 O ATOM 536 OD2 ASP A 35 -6.960 -18.225 -1.483 1.00 0.00 O ATOM 0 H ASP A 35 -6.735 -19.057 3.168 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.724 -20.621 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.078 -19.697 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.404 -18.084 0.985 1.00 0.00 H new ATOM 541 N TRP A 36 -4.311 -18.832 -0.313 1.00 0.00 N ATOM 542 CA TRP A 36 -3.208 -18.009 -0.802 1.00 0.00 C ATOM 543 C TRP A 36 -3.685 -16.995 -1.840 1.00 0.00 C ATOM 544 O TRP A 36 -3.187 -15.872 -1.894 1.00 0.00 O ATOM 545 CB TRP A 36 -2.105 -18.892 -1.395 1.00 0.00 C ATOM 546 CG TRP A 36 -2.622 -20.036 -2.211 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.049 -19.997 -3.508 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.763 -21.397 -1.785 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.446 -21.248 -3.912 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.280 -22.123 -2.872 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.502 -22.072 -0.588 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.540 -23.487 -2.802 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.761 -23.428 -0.520 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.276 -24.122 -1.622 1.00 0.00 C ATOM 0 H TRP A 36 -4.671 -19.502 -0.993 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.805 -17.457 0.047 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.456 -18.277 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.491 -19.284 -0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.071 -19.111 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.806 -21.486 -4.836 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.106 -21.544 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.937 -24.025 -3.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.563 -23.961 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.468 -25.181 -1.537 1.00 0.00 H new ATOM 565 N ARG A 37 -4.649 -17.397 -2.662 1.00 0.00 N ATOM 566 CA ARG A 37 -5.192 -16.523 -3.691 1.00 0.00 C ATOM 567 C ARG A 37 -5.810 -15.267 -3.080 1.00 0.00 C ATOM 568 O ARG A 37 -5.791 -14.196 -3.686 1.00 0.00 O ATOM 569 CB ARG A 37 -6.240 -17.273 -4.515 1.00 0.00 C ATOM 570 CG ARG A 37 -6.897 -16.419 -5.583 1.00 0.00 C ATOM 571 CD ARG A 37 -7.960 -17.197 -6.343 1.00 0.00 C ATOM 572 NE ARG A 37 -8.541 -16.413 -7.430 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.326 -16.927 -8.371 1.00 0.00 C ATOM 574 NH1 ARG A 37 -9.626 -18.219 -8.358 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.813 -16.148 -9.328 1.00 0.00 N ATOM 0 H ARG A 37 -5.070 -18.326 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.373 -16.216 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.769 -18.134 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.009 -17.658 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.348 -15.541 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.140 -16.060 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.521 -18.109 -6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.748 -17.501 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.333 -15.415 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.254 -18.822 -7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.229 -18.610 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.585 -15.154 -9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.415 -16.543 -10.050 1.00 0.00 H new ATOM 589 N ILE A 38 -6.360 -15.407 -1.879 1.00 0.00 N ATOM 590 CA ILE A 38 -6.985 -14.285 -1.188 1.00 0.00 C ATOM 591 C ILE A 38 -5.951 -13.427 -0.466 1.00 0.00 C ATOM 592 O ILE A 38 -6.059 -12.201 -0.438 1.00 0.00 O ATOM 593 CB ILE A 38 -8.036 -14.772 -0.170 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.051 -15.690 -0.855 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.736 -13.584 0.476 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.037 -16.329 0.100 1.00 0.00 C ATOM 0 H ILE A 38 -6.386 -16.287 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.476 -13.681 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.531 -15.339 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.601 -15.116 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.515 -16.475 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.475 -13.943 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.002 -12.965 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.233 -12.992 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.724 -16.965 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.497 -16.931 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.600 -15.551 0.616 1.00 0.00 H new ATOM 608 N ARG A 39 -4.951 -14.079 0.117 1.00 0.00 N ATOM 609 CA ARG A 39 -3.903 -13.378 0.852 1.00 0.00 C ATOM 610 C ARG A 39 -3.080 -12.480 -0.070 1.00 0.00 C ATOM 611 O ARG A 39 -2.818 -11.322 0.253 1.00 0.00 O ATOM 612 CB ARG A 39 -2.986 -14.380 1.556 1.00 0.00 C ATOM 613 CG ARG A 39 -1.934 -13.722 2.431 1.00 0.00 C ATOM 614 CD ARG A 39 -0.982 -14.746 3.027 1.00 0.00 C ATOM 615 NE ARG A 39 -1.652 -15.624 3.981 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.148 -16.782 4.397 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.019 -17.206 3.934 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.811 -17.517 5.276 1.00 0.00 N ATOM 0 H ARG A 39 -4.843 -15.093 0.095 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.387 -12.747 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.592 -15.048 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.491 -14.997 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.370 -12.999 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.422 -13.168 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.546 -15.345 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.160 -14.231 3.524 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.558 -15.333 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.534 -16.644 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.403 -18.095 4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.710 -17.195 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.423 -18.405 5.594 1.00 0.00 H new ATOM 632 N GLY A 40 -2.672 -13.022 -1.213 1.00 0.00 N ATOM 633 CA GLY A 40 -1.879 -12.253 -2.157 1.00 0.00 C ATOM 634 C GLY A 40 -2.593 -11.005 -2.640 1.00 0.00 C ATOM 635 O GLY A 40 -2.015 -9.918 -2.651 1.00 0.00 O ATOM 0 H GLY A 40 -2.876 -13.979 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.937 -11.969 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.632 -12.880 -3.014 1.00 0.00 H new ATOM 639 N ALA A 41 -3.852 -11.162 -3.041 1.00 0.00 N ATOM 640 CA ALA A 41 -4.651 -10.045 -3.526 1.00 0.00 C ATOM 641 C ALA A 41 -4.714 -8.922 -2.496 1.00 0.00 C ATOM 642 O ALA A 41 -4.871 -7.753 -2.849 1.00 0.00 O ATOM 643 CB ALA A 41 -6.054 -10.515 -3.880 1.00 0.00 C ATOM 0 H ALA A 41 -4.341 -12.057 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.171 -9.653 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.640 -9.670 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.997 -11.276 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.531 -10.936 -2.995 1.00 0.00 H new ATOM 649 N ALA A 42 -4.593 -9.284 -1.221 1.00 0.00 N ATOM 650 CA ALA A 42 -4.639 -8.302 -0.144 1.00 0.00 C ATOM 651 C ALA A 42 -3.550 -7.250 -0.316 1.00 0.00 C ATOM 652 O ALA A 42 -3.838 -6.056 -0.380 1.00 0.00 O ATOM 653 CB ALA A 42 -4.505 -8.988 1.207 1.00 0.00 C ATOM 0 H ALA A 42 -4.463 -10.247 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.605 -7.799 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.541 -8.241 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.323 -9.696 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.554 -9.519 1.253 1.00 0.00 H new ATOM 659 N ALA A 43 -2.300 -7.700 -0.398 1.00 0.00 N ATOM 660 CA ALA A 43 -1.172 -6.792 -0.569 1.00 0.00 C ATOM 661 C ALA A 43 -1.242 -6.090 -1.921 1.00 0.00 C ATOM 662 O ALA A 43 -0.755 -4.971 -2.079 1.00 0.00 O ATOM 663 CB ALA A 43 0.140 -7.543 -0.440 1.00 0.00 C ATOM 0 H ALA A 43 -2.044 -8.686 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.224 -6.038 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.971 -6.849 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.201 -8.001 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.192 -8.319 -1.204 1.00 0.00 H new ATOM 669 N TRP A 44 -1.853 -6.764 -2.892 1.00 0.00 N ATOM 670 CA TRP A 44 -1.995 -6.222 -4.240 1.00 0.00 C ATOM 671 C TRP A 44 -2.682 -4.856 -4.218 1.00 0.00 C ATOM 672 O TRP A 44 -2.271 -3.934 -4.922 1.00 0.00 O ATOM 673 CB TRP A 44 -2.779 -7.200 -5.117 1.00 0.00 C ATOM 674 CG TRP A 44 -1.907 -7.975 -6.058 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.203 -9.109 -5.776 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.644 -7.671 -7.434 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.512 -9.524 -6.889 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.768 -8.660 -7.920 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.064 -6.658 -8.303 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.304 -8.666 -9.232 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.603 -6.665 -9.606 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.731 -7.664 -10.060 1.00 0.00 C ATOM 0 H TRP A 44 -2.260 -7.691 -2.769 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.998 -6.087 -4.660 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.323 -7.896 -4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.523 -6.648 -5.692 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.191 -9.608 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.094 -10.343 -6.939 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.736 -5.885 -7.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.369 -9.434 -9.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.920 -5.888 -10.286 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.389 -7.642 -11.084 1.00 0.00 H new ATOM 693 N ILE A 45 -3.731 -4.737 -3.408 1.00 0.00 N ATOM 694 CA ILE A 45 -4.476 -3.486 -3.294 1.00 0.00 C ATOM 695 C ILE A 45 -4.050 -2.689 -2.060 1.00 0.00 C ATOM 696 O ILE A 45 -4.262 -1.478 -1.986 1.00 0.00 O ATOM 697 CB ILE A 45 -5.996 -3.750 -3.226 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.441 -4.599 -4.420 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.765 -2.435 -3.187 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.889 -5.034 -4.352 1.00 0.00 C ATOM 0 H ILE A 45 -4.085 -5.492 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.250 -2.901 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.213 -4.300 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.284 -4.031 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.808 -5.484 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.834 -2.640 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.465 -1.864 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.546 -1.859 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.131 -5.631 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.048 -5.630 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.532 -4.154 -4.322 1.00 0.00 H new ATOM 712 N ILE A 46 -3.441 -3.375 -1.099 1.00 0.00 N ATOM 713 CA ILE A 46 -2.996 -2.741 0.140 1.00 0.00 C ATOM 714 C ILE A 46 -2.042 -1.575 -0.135 1.00 0.00 C ATOM 715 O ILE A 46 -2.092 -0.550 0.543 1.00 0.00 O ATOM 716 CB ILE A 46 -2.318 -3.777 1.076 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.823 -3.622 2.510 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.801 -3.653 1.042 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.902 -4.930 3.265 1.00 0.00 C ATOM 0 H ILE A 46 -3.243 -4.374 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.881 -2.343 0.637 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.585 -4.769 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.164 -2.940 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.811 -3.162 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.360 -4.394 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.445 -3.822 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.510 -2.654 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.268 -4.746 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.584 -5.607 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.911 -5.382 3.315 1.00 0.00 H new ATOM 731 N GLY A 47 -1.188 -1.733 -1.142 1.00 0.00 N ATOM 732 CA GLY A 47 -0.225 -0.697 -1.474 1.00 0.00 C ATOM 733 C GLY A 47 -0.869 0.613 -1.894 1.00 0.00 C ATOM 734 O GLY A 47 -0.231 1.664 -1.837 1.00 0.00 O ATOM 0 H GLY A 47 -1.145 -2.562 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.417 -0.518 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.417 -1.053 -2.280 1.00 0.00 H new ATOM 738 N ASN A 48 -2.128 0.554 -2.311 1.00 0.00 N ATOM 739 CA ASN A 48 -2.845 1.750 -2.752 1.00 0.00 C ATOM 740 C ASN A 48 -3.150 2.694 -1.589 1.00 0.00 C ATOM 741 O ASN A 48 -3.385 3.885 -1.796 1.00 0.00 O ATOM 742 CB ASN A 48 -4.152 1.356 -3.445 1.00 0.00 C ATOM 743 CG ASN A 48 -3.922 0.720 -4.802 1.00 0.00 C ATOM 744 OD1 ASN A 48 -3.906 1.405 -5.825 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.740 -0.595 -4.820 1.00 0.00 N ATOM 0 H ASN A 48 -2.675 -0.306 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.197 2.276 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.701 0.661 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.777 2.241 -3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.579 -1.076 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.761 -1.125 -3.949 1.00 0.00 H new ATOM 752 N PHE A 49 -3.146 2.163 -0.370 1.00 0.00 N ATOM 753 CA PHE A 49 -3.443 2.968 0.812 1.00 0.00 C ATOM 754 C PHE A 49 -2.218 3.744 1.304 1.00 0.00 C ATOM 755 O PHE A 49 -2.357 4.805 1.913 1.00 0.00 O ATOM 756 CB PHE A 49 -3.988 2.074 1.927 1.00 0.00 C ATOM 757 CG PHE A 49 -5.289 1.410 1.569 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.302 0.232 0.839 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.498 1.967 1.954 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.495 -0.378 0.501 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.695 1.360 1.620 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.693 0.187 0.893 1.00 0.00 C ATOM 0 H PHE A 49 -2.941 1.183 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.198 3.702 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.249 1.308 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.128 2.672 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.368 -0.215 0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.506 2.886 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.491 -1.295 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.630 1.804 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.627 -0.288 0.631 1.00 0.00 H new ATOM 772 N GLN A 50 -1.024 3.213 1.040 1.00 0.00 N ATOM 773 CA GLN A 50 0.219 3.869 1.459 1.00 0.00 C ATOM 774 C GLN A 50 0.252 4.085 2.966 1.00 0.00 C ATOM 775 O GLN A 50 0.912 4.999 3.460 1.00 0.00 O ATOM 776 CB GLN A 50 0.385 5.210 0.750 1.00 0.00 C ATOM 777 CG GLN A 50 0.946 5.075 -0.648 1.00 0.00 C ATOM 778 CD GLN A 50 -0.121 5.168 -1.721 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.413 6.387 -2.159 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 -0.679 4.159 -2.150 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.889 2.334 0.540 1.00 0.00 H new ATOM 0 HA GLN A 50 1.043 3.210 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.582 5.710 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.044 5.847 1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.690 5.855 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.462 4.119 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.424 3.241 -1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.397 4.240 -2.870 1.00 0.00 H new ATOM 789 N ASP A 51 -0.453 3.232 3.689 1.00 0.00 N ATOM 790 CA ASP A 51 -0.511 3.333 5.145 1.00 0.00 C ATOM 791 C ASP A 51 0.420 2.320 5.805 1.00 0.00 C ATOM 792 O ASP A 51 0.795 1.320 5.193 1.00 0.00 O ATOM 793 CB ASP A 51 -1.946 3.122 5.633 1.00 0.00 C ATOM 794 CG ASP A 51 -2.113 3.460 7.101 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.214 4.662 7.425 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.142 2.523 7.927 1.00 0.00 O ATOM 0 H ASP A 51 -0.994 2.461 3.297 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.181 4.333 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.622 3.739 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.234 2.084 5.467 1.00 0.00 H new ATOM 801 N GLU A 52 0.796 2.592 7.053 1.00 0.00 N ATOM 802 CA GLU A 52 1.680 1.701 7.801 1.00 0.00 C ATOM 803 C GLU A 52 1.085 0.297 7.875 1.00 0.00 C ATOM 804 O GLU A 52 1.805 -0.701 7.818 1.00 0.00 O ATOM 805 CB GLU A 52 1.915 2.251 9.210 1.00 0.00 C ATOM 806 CG GLU A 52 0.632 2.583 9.955 1.00 0.00 C ATOM 807 CD GLU A 52 0.890 3.156 11.334 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.097 2.365 12.278 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.885 4.398 11.470 1.00 0.00 O ATOM 0 H GLU A 52 0.502 3.422 7.567 1.00 0.00 H new ATOM 0 HA GLU A 52 2.636 1.645 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.481 1.520 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.529 3.149 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.052 3.298 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.026 1.681 10.048 1.00 0.00 H new ATOM 816 N ARG A 53 -0.234 0.236 8.003 1.00 0.00 N ATOM 817 CA ARG A 53 -0.952 -1.031 8.070 1.00 0.00 C ATOM 818 C ARG A 53 -0.783 -1.793 6.760 1.00 0.00 C ATOM 819 O ARG A 53 -0.799 -3.022 6.732 1.00 0.00 O ATOM 820 CB ARG A 53 -2.440 -0.750 8.335 1.00 0.00 C ATOM 821 CG ARG A 53 -3.298 -1.972 8.662 1.00 0.00 C ATOM 822 CD ARG A 53 -3.553 -2.850 7.446 1.00 0.00 C ATOM 823 NE ARG A 53 -3.778 -2.060 6.237 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.467 -2.497 5.190 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.991 -3.715 5.203 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.629 -1.718 4.129 1.00 0.00 N ATOM 0 H ARG A 53 -0.834 1.059 8.063 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.549 -1.641 8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.516 -0.044 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.860 -0.259 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.804 -2.562 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.252 -1.642 9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.701 -3.513 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.420 -3.483 7.632 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.383 -1.120 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.865 -4.316 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.521 -4.051 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.224 -0.782 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.159 -2.055 3.325 1.00 0.00 H new ATOM 840 N ALA A 54 -0.574 -1.046 5.683 1.00 0.00 N ATOM 841 CA ALA A 54 -0.432 -1.628 4.355 1.00 0.00 C ATOM 842 C ALA A 54 1.030 -1.817 3.991 1.00 0.00 C ATOM 843 O ALA A 54 1.357 -2.294 2.905 1.00 0.00 O ATOM 844 CB ALA A 54 -1.118 -0.743 3.329 1.00 0.00 C ATOM 0 H ALA A 54 -0.499 -0.029 5.705 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.905 -2.610 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.009 -1.183 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.177 -0.657 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.662 0.247 3.339 1.00 0.00 H new ATOM 850 N VAL A 55 1.901 -1.438 4.909 1.00 0.00 N ATOM 851 CA VAL A 55 3.332 -1.549 4.697 1.00 0.00 C ATOM 852 C VAL A 55 3.867 -2.894 5.193 1.00 0.00 C ATOM 853 O VAL A 55 4.709 -3.514 4.543 1.00 0.00 O ATOM 854 CB VAL A 55 4.069 -0.392 5.402 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.531 -0.724 5.618 1.00 0.00 C ATOM 856 CG2 VAL A 55 3.926 0.891 4.598 1.00 0.00 C ATOM 0 H VAL A 55 1.639 -1.048 5.814 1.00 0.00 H new ATOM 0 HA VAL A 55 3.516 -1.488 3.624 1.00 0.00 H new ATOM 0 HB VAL A 55 3.612 -0.246 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.024 0.111 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.614 -1.617 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.009 -0.905 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.451 1.700 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.354 0.748 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.870 1.146 4.504 1.00 0.00 H new ATOM 866 N GLU A 56 3.374 -3.338 6.346 1.00 0.00 N ATOM 867 CA GLU A 56 3.813 -4.605 6.929 1.00 0.00 C ATOM 868 C GLU A 56 3.519 -5.796 6.006 1.00 0.00 C ATOM 869 O GLU A 56 4.400 -6.621 5.761 1.00 0.00 O ATOM 870 CB GLU A 56 3.162 -4.830 8.296 1.00 0.00 C ATOM 871 CG GLU A 56 3.814 -5.944 9.099 1.00 0.00 C ATOM 872 CD GLU A 56 2.953 -6.416 10.254 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.857 -5.685 11.262 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.374 -7.518 10.151 1.00 0.00 O ATOM 0 H GLU A 56 2.672 -2.842 6.895 1.00 0.00 H new ATOM 0 HA GLU A 56 4.894 -4.539 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.208 -3.904 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.107 -5.064 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.023 -6.786 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.772 -5.595 9.485 1.00 0.00 H new ATOM 881 N PRO A 57 2.274 -5.910 5.484 1.00 0.00 N ATOM 882 CA PRO A 57 1.882 -7.020 4.601 1.00 0.00 C ATOM 883 C PRO A 57 2.800 -7.184 3.401 1.00 0.00 C ATOM 884 O PRO A 57 2.803 -8.231 2.755 1.00 0.00 O ATOM 885 CB PRO A 57 0.477 -6.637 4.140 1.00 0.00 C ATOM 886 CG PRO A 57 -0.039 -5.732 5.201 1.00 0.00 C ATOM 887 CD PRO A 57 1.153 -4.975 5.710 1.00 0.00 C ATOM 0 HA PRO A 57 1.935 -7.975 5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.501 -6.137 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.156 -7.517 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.792 -5.053 4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.513 -6.299 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.295 -4.039 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.048 -4.721 6.765 1.00 0.00 H new ATOM 895 N LEU A 58 3.576 -6.153 3.100 1.00 0.00 N ATOM 896 CA LEU A 58 4.490 -6.203 1.969 1.00 0.00 C ATOM 897 C LEU A 58 5.822 -6.820 2.373 1.00 0.00 C ATOM 898 O LEU A 58 6.482 -7.476 1.570 1.00 0.00 O ATOM 899 CB LEU A 58 4.714 -4.798 1.406 1.00 0.00 C ATOM 900 CG LEU A 58 3.451 -3.943 1.268 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.758 -2.649 0.530 1.00 0.00 C ATOM 902 CD2 LEU A 58 2.353 -4.718 0.557 1.00 0.00 C ATOM 0 H LEU A 58 3.591 -5.276 3.620 1.00 0.00 H new ATOM 0 HA LEU A 58 4.041 -6.829 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.420 -4.274 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.182 -4.887 0.426 1.00 0.00 H new ATOM 0 HG LEU A 58 3.098 -3.691 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.848 -2.056 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.508 -2.084 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.139 -2.879 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.465 -4.093 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.695 -5.004 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.111 -5.614 1.129 1.00 0.00 H new ATOM 914 N ILE A 59 6.207 -6.607 3.623 1.00 0.00 N ATOM 915 CA ILE A 59 7.465 -7.129 4.138 1.00 0.00 C ATOM 916 C ILE A 59 7.494 -8.657 4.136 1.00 0.00 C ATOM 917 O ILE A 59 8.422 -9.266 3.603 1.00 0.00 O ATOM 918 CB ILE A 59 7.725 -6.630 5.574 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.567 -5.106 5.652 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.112 -7.051 6.041 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.488 -4.345 4.721 1.00 0.00 C ATOM 0 H ILE A 59 5.664 -6.074 4.302 1.00 0.00 H new ATOM 0 HA ILE A 59 8.246 -6.762 3.473 1.00 0.00 H new ATOM 0 HB ILE A 59 6.987 -7.084 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.535 -4.845 5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.754 -4.783 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.279 -6.691 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.187 -8.138 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.864 -6.626 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.317 -3.275 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.525 -4.575 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.286 -4.638 3.691 1.00 0.00 H new ATOM 933 N LYS A 60 6.477 -9.268 4.733 1.00 0.00 N ATOM 934 CA LYS A 60 6.406 -10.724 4.829 1.00 0.00 C ATOM 935 C LYS A 60 6.142 -11.394 3.479 1.00 0.00 C ATOM 936 O LYS A 60 6.779 -12.391 3.139 1.00 0.00 O ATOM 937 CB LYS A 60 5.312 -11.129 5.818 1.00 0.00 C ATOM 938 CG LYS A 60 5.273 -12.622 6.102 1.00 0.00 C ATOM 939 CD LYS A 60 3.992 -13.021 6.816 1.00 0.00 C ATOM 940 CE LYS A 60 3.914 -12.418 8.210 1.00 0.00 C ATOM 941 NZ LYS A 60 2.637 -12.763 8.894 1.00 0.00 N ATOM 0 H LYS A 60 5.689 -8.779 5.158 1.00 0.00 H new ATOM 0 HA LYS A 60 7.380 -11.065 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.464 -10.593 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.344 -10.817 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.356 -13.174 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.132 -12.900 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.132 -12.696 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.937 -14.107 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.753 -12.774 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.008 -11.334 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.623 -12.333 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.836 -12.401 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.558 -13.796 8.982 1.00 0.00 H new ATOM 955 N LEU A 61 5.202 -10.843 2.721 1.00 0.00 N ATOM 956 CA LEU A 61 4.819 -11.411 1.429 1.00 0.00 C ATOM 957 C LEU A 61 5.990 -11.529 0.450 1.00 0.00 C ATOM 958 O LEU A 61 6.048 -12.477 -0.332 1.00 0.00 O ATOM 959 CB LEU A 61 3.698 -10.582 0.806 1.00 0.00 C ATOM 960 CG LEU A 61 2.484 -11.389 0.346 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.868 -12.148 1.511 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.454 -10.481 -0.298 1.00 0.00 C ATOM 0 H LEU A 61 4.688 -10.000 2.978 1.00 0.00 H new ATOM 0 HA LEU A 61 4.471 -12.426 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.369 -9.838 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.100 -10.037 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 61 2.819 -12.114 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.006 -12.715 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.606 -12.832 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.550 -11.442 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.597 -11.073 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.128 -9.732 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.896 -9.984 -1.162 1.00 0.00 H new ATOM 974 N LEU A 62 6.909 -10.570 0.480 1.00 0.00 N ATOM 975 CA LEU A 62 8.060 -10.593 -0.419 1.00 0.00 C ATOM 976 C LEU A 62 8.899 -11.857 -0.237 1.00 0.00 C ATOM 977 O LEU A 62 9.770 -12.151 -1.055 1.00 0.00 O ATOM 978 CB LEU A 62 8.929 -9.356 -0.196 1.00 0.00 C ATOM 979 CG LEU A 62 8.319 -8.047 -0.693 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.981 -6.859 -0.014 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.452 -7.940 -2.204 1.00 0.00 C ATOM 0 H LEU A 62 6.881 -9.771 1.113 1.00 0.00 H new ATOM 0 HA LEU A 62 7.678 -10.591 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.136 -9.262 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.886 -9.507 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 62 7.259 -8.041 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.534 -5.935 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.837 -6.929 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.048 -6.860 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.012 -7.002 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.506 -7.967 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.933 -8.775 -2.675 1.00 0.00 H new ATOM 993 N GLU A 63 8.635 -12.603 0.832 1.00 0.00 N ATOM 994 CA GLU A 63 9.380 -13.824 1.105 1.00 0.00 C ATOM 995 C GLU A 63 8.494 -15.063 0.977 1.00 0.00 C ATOM 996 O GLU A 63 8.972 -16.190 1.110 1.00 0.00 O ATOM 997 CB GLU A 63 9.992 -13.760 2.502 1.00 0.00 C ATOM 998 CG GLU A 63 11.450 -14.173 2.531 1.00 0.00 C ATOM 999 CD GLU A 63 12.084 -13.992 3.896 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.941 -14.900 4.742 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.726 -12.944 4.117 1.00 0.00 O ATOM 0 H GLU A 63 7.914 -12.383 1.519 1.00 0.00 H new ATOM 0 HA GLU A 63 10.175 -13.904 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.900 -12.744 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.424 -14.406 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.533 -15.218 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.004 -13.587 1.797 1.00 0.00 H new ATOM 1008 N ASP A 64 7.206 -14.852 0.721 1.00 0.00 N ATOM 1009 CA ASP A 64 6.267 -15.960 0.577 1.00 0.00 C ATOM 1010 C ASP A 64 6.660 -16.864 -0.580 1.00 0.00 C ATOM 1011 O ASP A 64 6.460 -18.079 -0.536 1.00 0.00 O ATOM 1012 CB ASP A 64 4.842 -15.439 0.378 1.00 0.00 C ATOM 1013 CG ASP A 64 4.163 -15.097 1.690 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.769 -14.365 2.499 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.028 -15.568 1.910 1.00 0.00 O ATOM 0 H ASP A 64 6.790 -13.927 0.609 1.00 0.00 H new ATOM 0 HA ASP A 64 6.301 -16.545 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.867 -14.553 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.253 -16.191 -0.148 1.00 0.00 H new ATOM 1020 N ASP A 65 7.223 -16.254 -1.607 1.00 0.00 N ATOM 1021 CA ASP A 65 7.663 -16.974 -2.799 1.00 0.00 C ATOM 1022 C ASP A 65 6.558 -17.883 -3.341 1.00 0.00 C ATOM 1023 O ASP A 65 6.835 -18.889 -3.993 1.00 0.00 O ATOM 1024 CB ASP A 65 8.914 -17.797 -2.482 1.00 0.00 C ATOM 1025 CG ASP A 65 9.594 -18.330 -3.729 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.284 -17.543 -4.411 1.00 0.00 O ATOM 1027 OD2 ASP A 65 9.440 -19.534 -4.022 1.00 0.00 O ATOM 0 H ASP A 65 7.390 -15.248 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 65 7.900 -16.239 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.618 -17.180 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.641 -18.632 -1.837 1.00 0.00 H new ATOM 1032 N SER A 66 5.305 -17.519 -3.075 1.00 0.00 N ATOM 1033 CA SER A 66 4.170 -18.307 -3.542 1.00 0.00 C ATOM 1034 C SER A 66 3.842 -17.959 -4.991 1.00 0.00 C ATOM 1035 O SER A 66 3.145 -18.705 -5.679 1.00 0.00 O ATOM 1036 CB SER A 66 2.950 -18.070 -2.652 1.00 0.00 C ATOM 1037 OG SER A 66 1.856 -18.875 -3.057 1.00 0.00 O ATOM 0 H SER A 66 5.052 -16.687 -2.541 1.00 0.00 H new ATOM 0 HA SER A 66 4.438 -19.362 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.204 -18.292 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.666 -17.018 -2.692 1.00 0.00 H new ATOM 0 HG SER A 66 1.928 -19.067 -4.015 1.00 0.00 H new ATOM 1043 N GLY A 67 4.352 -16.816 -5.442 1.00 0.00 N ATOM 1044 CA GLY A 67 4.118 -16.376 -6.806 1.00 0.00 C ATOM 1045 C GLY A 67 3.458 -15.017 -6.869 1.00 0.00 C ATOM 1046 O GLY A 67 4.064 -14.020 -6.482 1.00 0.00 O ATOM 0 H GLY A 67 4.926 -16.184 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.067 -16.341 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.490 -17.106 -7.317 1.00 0.00 H new ATOM 1050 N PHE A 68 2.224 -14.962 -7.370 1.00 0.00 N ATOM 1051 CA PHE A 68 1.511 -13.694 -7.454 1.00 0.00 C ATOM 1052 C PHE A 68 1.468 -13.051 -6.075 1.00 0.00 C ATOM 1053 O PHE A 68 1.400 -11.830 -5.943 1.00 0.00 O ATOM 1054 CB PHE A 68 0.092 -13.893 -8.014 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.003 -13.805 -6.984 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.589 -12.583 -6.672 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.450 -14.943 -6.332 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.596 -12.505 -5.730 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.458 -14.867 -5.392 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.032 -13.648 -5.091 1.00 0.00 C ATOM 0 H PHE A 68 1.706 -15.769 -7.718 1.00 0.00 H new ATOM 0 HA PHE A 68 2.039 -13.033 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.090 -13.143 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.040 -14.868 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.253 -11.686 -7.171 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.005 -15.900 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.042 -11.550 -5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.798 -15.762 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.821 -13.589 -4.356 1.00 0.00 H new ATOM 1070 N VAL A 69 1.507 -13.897 -5.051 1.00 0.00 N ATOM 1071 CA VAL A 69 1.503 -13.436 -3.675 1.00 0.00 C ATOM 1072 C VAL A 69 2.777 -12.652 -3.395 1.00 0.00 C ATOM 1073 O VAL A 69 2.760 -11.636 -2.702 1.00 0.00 O ATOM 1074 CB VAL A 69 1.400 -14.617 -2.690 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.271 -14.120 -1.261 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.230 -15.518 -3.057 1.00 0.00 C ATOM 0 H VAL A 69 1.542 -14.911 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 69 0.632 -12.795 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 69 2.317 -15.201 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.200 -14.972 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.146 -13.524 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.374 -13.507 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.173 -16.346 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.696 -14.945 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.374 -15.909 -4.064 1.00 0.00 H new ATOM 1086 N ARG A 70 3.884 -13.136 -3.954 1.00 0.00 N ATOM 1087 CA ARG A 70 5.174 -12.486 -3.784 1.00 0.00 C ATOM 1088 C ARG A 70 5.253 -11.220 -4.632 1.00 0.00 C ATOM 1089 O ARG A 70 5.783 -10.199 -4.196 1.00 0.00 O ATOM 1090 CB ARG A 70 6.308 -13.439 -4.163 1.00 0.00 C ATOM 1091 CG ARG A 70 7.691 -12.882 -3.866 1.00 0.00 C ATOM 1092 CD ARG A 70 8.786 -13.797 -4.390 1.00 0.00 C ATOM 1093 NE ARG A 70 8.595 -14.126 -5.800 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.479 -14.803 -6.526 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.618 -15.211 -5.982 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.227 -15.072 -7.800 1.00 0.00 N ATOM 0 H ARG A 70 3.910 -13.978 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 70 5.281 -12.212 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.179 -14.377 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.238 -13.670 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.792 -11.896 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.808 -12.752 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.755 -13.316 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.804 -14.715 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 70 7.734 -13.819 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.818 -15.005 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.294 -15.730 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.354 -14.759 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.907 -15.592 -8.356 1.00 0.00 H new ATOM 1110 N SER A 71 4.719 -11.300 -5.848 1.00 0.00 N ATOM 1111 CA SER A 71 4.723 -10.169 -6.770 1.00 0.00 C ATOM 1112 C SER A 71 3.879 -9.020 -6.232 1.00 0.00 C ATOM 1113 O SER A 71 4.194 -7.851 -6.456 1.00 0.00 O ATOM 1114 CB SER A 71 4.200 -10.603 -8.140 1.00 0.00 C ATOM 1115 OG SER A 71 5.010 -11.625 -8.695 1.00 0.00 O ATOM 0 H SER A 71 4.276 -12.141 -6.219 1.00 0.00 H new ATOM 0 HA SER A 71 5.751 -9.820 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.174 -10.959 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.179 -9.746 -8.813 1.00 0.00 H new ATOM 0 HG SER A 71 4.654 -11.886 -9.570 1.00 0.00 H new ATOM 1121 N GLY A 72 2.806 -9.359 -5.524 1.00 0.00 N ATOM 1122 CA GLY A 72 1.932 -8.343 -4.965 1.00 0.00 C ATOM 1123 C GLY A 72 2.681 -7.343 -4.110 1.00 0.00 C ATOM 1124 O GLY A 72 2.682 -6.148 -4.400 1.00 0.00 O ATOM 0 H GLY A 72 2.526 -10.320 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.426 -7.817 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.159 -8.823 -4.365 1.00 0.00 H new ATOM 1128 N ALA A 73 3.318 -7.835 -3.053 1.00 0.00 N ATOM 1129 CA ALA A 73 4.082 -6.981 -2.154 1.00 0.00 C ATOM 1130 C ALA A 73 5.161 -6.214 -2.912 1.00 0.00 C ATOM 1131 O ALA A 73 5.518 -5.096 -2.543 1.00 0.00 O ATOM 1132 CB ALA A 73 4.711 -7.814 -1.050 1.00 0.00 C ATOM 0 H ALA A 73 3.320 -8.823 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 73 3.398 -6.257 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.280 -7.165 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.928 -8.319 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.377 -8.557 -1.489 1.00 0.00 H new ATOM 1138 N ALA A 74 5.681 -6.829 -3.968 1.00 0.00 N ATOM 1139 CA ALA A 74 6.723 -6.211 -4.777 1.00 0.00 C ATOM 1140 C ALA A 74 6.240 -4.916 -5.429 1.00 0.00 C ATOM 1141 O ALA A 74 6.810 -3.848 -5.205 1.00 0.00 O ATOM 1142 CB ALA A 74 7.210 -7.186 -5.840 1.00 0.00 C ATOM 0 H ALA A 74 5.397 -7.756 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 74 7.551 -5.958 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.989 -6.713 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.613 -8.077 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.377 -7.467 -6.485 1.00 0.00 H new ATOM 1148 N ARG A 75 5.184 -5.019 -6.234 1.00 0.00 N ATOM 1149 CA ARG A 75 4.633 -3.860 -6.936 1.00 0.00 C ATOM 1150 C ARG A 75 4.010 -2.850 -5.976 1.00 0.00 C ATOM 1151 O ARG A 75 4.117 -1.643 -6.186 1.00 0.00 O ATOM 1152 CB ARG A 75 3.587 -4.305 -7.962 1.00 0.00 C ATOM 1153 CG ARG A 75 2.517 -5.220 -7.388 1.00 0.00 C ATOM 1154 CD ARG A 75 1.277 -5.244 -8.268 1.00 0.00 C ATOM 1155 NE ARG A 75 1.601 -5.495 -9.670 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.004 -4.879 -10.687 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.055 -3.981 -10.457 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.354 -5.161 -11.934 1.00 0.00 N ATOM 0 H ARG A 75 4.692 -5.894 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 75 5.463 -3.371 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.108 -3.422 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.090 -4.819 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.915 -6.230 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.248 -4.884 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.595 -6.015 -7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.754 -4.291 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 75 2.326 -6.181 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.218 -3.762 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.401 -3.510 -11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.082 -5.852 -12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.895 -4.687 -12.712 1.00 0.00 H new ATOM 1172 N SER A 76 3.356 -3.345 -4.929 1.00 0.00 N ATOM 1173 CA SER A 76 2.712 -2.475 -3.947 1.00 0.00 C ATOM 1174 C SER A 76 3.690 -1.442 -3.399 1.00 0.00 C ATOM 1175 O SER A 76 3.332 -0.282 -3.196 1.00 0.00 O ATOM 1176 CB SER A 76 2.132 -3.304 -2.801 1.00 0.00 C ATOM 1177 OG SER A 76 3.133 -4.103 -2.202 1.00 0.00 O ATOM 0 H SER A 76 3.257 -4.342 -4.738 1.00 0.00 H new ATOM 0 HA SER A 76 1.903 -1.946 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.693 -2.643 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.329 -3.939 -3.176 1.00 0.00 H new ATOM 0 HG SER A 76 3.948 -4.067 -2.744 1.00 0.00 H new ATOM 1183 N LEU A 77 4.923 -1.869 -3.154 1.00 0.00 N ATOM 1184 CA LEU A 77 5.950 -0.972 -2.634 1.00 0.00 C ATOM 1185 C LEU A 77 6.328 0.079 -3.672 1.00 0.00 C ATOM 1186 O LEU A 77 6.185 1.278 -3.431 1.00 0.00 O ATOM 1187 CB LEU A 77 7.188 -1.765 -2.219 1.00 0.00 C ATOM 1188 CG LEU A 77 7.087 -2.471 -0.867 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.304 -3.350 -0.643 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.950 -1.454 0.259 1.00 0.00 C ATOM 0 H LEU A 77 5.236 -2.828 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 77 5.545 -0.464 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.395 -2.511 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.042 -1.088 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 77 6.197 -3.100 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.221 -3.848 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.362 -4.099 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.204 -2.736 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.879 -1.975 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.822 -0.800 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.051 -0.858 0.104 1.00 0.00 H new ATOM 1202 N GLU A 78 6.819 -0.377 -4.823 1.00 0.00 N ATOM 1203 CA GLU A 78 7.193 0.525 -5.905 1.00 0.00 C ATOM 1204 C GLU A 78 6.031 1.453 -6.243 1.00 0.00 C ATOM 1205 O GLU A 78 6.226 2.558 -6.751 1.00 0.00 O ATOM 1206 CB GLU A 78 7.600 -0.272 -7.146 1.00 0.00 C ATOM 1207 CG GLU A 78 8.597 -1.381 -6.856 1.00 0.00 C ATOM 1208 CD GLU A 78 9.056 -2.094 -8.113 1.00 0.00 C ATOM 1209 OE1 GLU A 78 10.007 -1.606 -8.759 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.464 -3.141 -8.452 1.00 0.00 O ATOM 0 H GLU A 78 6.966 -1.365 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 78 8.042 1.125 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.708 -0.706 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.030 0.409 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.463 -0.962 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.144 -2.104 -6.177 1.00 0.00 H new ATOM 1217 N GLN A 79 4.822 0.987 -5.954 1.00 0.00 N ATOM 1218 CA GLN A 79 3.613 1.759 -6.205 1.00 0.00 C ATOM 1219 C GLN A 79 3.559 2.964 -5.273 1.00 0.00 C ATOM 1220 O GLN A 79 3.190 4.066 -5.683 1.00 0.00 O ATOM 1221 CB GLN A 79 2.380 0.871 -6.004 1.00 0.00 C ATOM 1222 CG GLN A 79 1.066 1.629 -5.913 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.078 0.742 -5.460 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -1.230 0.952 -5.840 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.237 -0.257 -4.639 1.00 0.00 N ATOM 0 H GLN A 79 4.653 0.069 -5.542 1.00 0.00 H new ATOM 0 HA GLN A 79 3.624 2.118 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.320 0.162 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.512 0.288 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.176 2.461 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.828 2.057 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.206 -0.394 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.490 -0.886 -4.299 1.00 0.00 H new ATOM 1234 N ILE A 80 3.929 2.740 -4.018 1.00 0.00 N ATOM 1235 CA ILE A 80 3.941 3.794 -3.016 1.00 0.00 C ATOM 1236 C ILE A 80 4.942 4.885 -3.391 1.00 0.00 C ATOM 1237 O ILE A 80 4.587 6.059 -3.490 1.00 0.00 O ATOM 1238 CB ILE A 80 4.302 3.229 -1.628 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.266 2.190 -1.194 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.401 4.351 -0.602 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.670 1.403 0.035 1.00 0.00 C ATOM 0 H ILE A 80 4.227 1.829 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 80 2.939 4.222 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 80 5.275 2.742 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.320 2.694 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.093 1.497 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.657 3.932 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.174 5.057 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.444 4.868 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.887 0.687 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.600 0.870 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.815 2.085 0.873 1.00 0.00 H new ATOM 1253 N GLY A 81 6.192 4.482 -3.604 1.00 0.00 N ATOM 1254 CA GLY A 81 7.232 5.429 -3.965 1.00 0.00 C ATOM 1255 C GLY A 81 7.542 6.407 -2.848 1.00 0.00 C ATOM 1256 O GLY A 81 6.673 7.164 -2.414 1.00 0.00 O ATOM 0 H GLY A 81 6.503 3.513 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.139 4.885 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.923 5.982 -4.852 1.00 0.00 H new ATOM 1260 N GLY A 82 8.786 6.391 -2.382 1.00 0.00 N ATOM 1261 CA GLY A 82 9.190 7.283 -1.312 1.00 0.00 C ATOM 1262 C GLY A 82 10.318 6.708 -0.480 1.00 0.00 C ATOM 1263 O GLY A 82 10.787 5.600 -0.740 1.00 0.00 O ATOM 0 H GLY A 82 9.522 5.775 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.504 8.237 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.334 7.486 -0.669 1.00 0.00 H new ATOM 1267 N GLU A 83 10.751 7.461 0.525 1.00 0.00 N ATOM 1268 CA GLU A 83 11.833 7.021 1.398 1.00 0.00 C ATOM 1269 C GLU A 83 11.409 5.809 2.223 1.00 0.00 C ATOM 1270 O GLU A 83 12.224 4.933 2.520 1.00 0.00 O ATOM 1271 CB GLU A 83 12.261 8.159 2.327 1.00 0.00 C ATOM 1272 CG GLU A 83 13.417 7.795 3.245 1.00 0.00 C ATOM 1273 CD GLU A 83 13.746 8.896 4.233 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.122 8.928 5.315 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.628 9.726 3.928 1.00 0.00 O ATOM 0 H GLU A 83 10.370 8.379 0.755 1.00 0.00 H new ATOM 0 HA GLU A 83 12.678 6.734 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.545 9.021 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.408 8.461 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.170 6.884 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.299 7.577 2.643 1.00 0.00 H new ATOM 1282 N ARG A 84 10.132 5.765 2.592 1.00 0.00 N ATOM 1283 CA ARG A 84 9.605 4.661 3.387 1.00 0.00 C ATOM 1284 C ARG A 84 9.706 3.344 2.631 1.00 0.00 C ATOM 1285 O ARG A 84 10.003 2.302 3.214 1.00 0.00 O ATOM 1286 CB ARG A 84 8.146 4.924 3.791 1.00 0.00 C ATOM 1287 CG ARG A 84 7.158 4.879 2.629 1.00 0.00 C ATOM 1288 CD ARG A 84 7.226 6.138 1.780 1.00 0.00 C ATOM 1289 NE ARG A 84 7.002 7.344 2.574 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.320 8.399 2.137 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.794 8.396 0.920 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.161 9.457 2.921 1.00 0.00 N ATOM 0 H ARG A 84 9.444 6.480 2.354 1.00 0.00 H new ATOM 0 HA ARG A 84 10.211 4.588 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.848 4.186 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.084 5.902 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.369 4.009 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.147 4.756 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.201 6.198 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.480 6.082 0.987 1.00 0.00 H new ATOM 0 HE ARG A 84 7.391 7.379 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.912 7.583 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.272 9.207 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.562 9.462 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.638 10.266 2.586 1.00 0.00 H new ATOM 1306 N VAL A 85 9.460 3.400 1.331 1.00 0.00 N ATOM 1307 CA VAL A 85 9.525 2.214 0.492 1.00 0.00 C ATOM 1308 C VAL A 85 10.943 1.668 0.437 1.00 0.00 C ATOM 1309 O VAL A 85 11.157 0.456 0.415 1.00 0.00 O ATOM 1310 CB VAL A 85 9.051 2.519 -0.940 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.915 1.237 -1.744 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.738 3.285 -0.914 1.00 0.00 C ATOM 0 H VAL A 85 9.213 4.256 0.834 1.00 0.00 H new ATOM 0 HA VAL A 85 8.865 1.469 0.936 1.00 0.00 H new ATOM 0 HB VAL A 85 9.800 3.144 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.579 1.474 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.881 0.734 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.188 0.582 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.417 3.492 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.978 2.688 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.876 4.225 -0.379 1.00 0.00 H new ATOM 1322 N ARG A 86 11.911 2.578 0.416 1.00 0.00 N ATOM 1323 CA ARG A 86 13.318 2.202 0.346 1.00 0.00 C ATOM 1324 C ARG A 86 13.723 1.327 1.529 1.00 0.00 C ATOM 1325 O ARG A 86 14.645 0.520 1.427 1.00 0.00 O ATOM 1326 CB ARG A 86 14.201 3.448 0.282 1.00 0.00 C ATOM 1327 CG ARG A 86 15.656 3.142 -0.040 1.00 0.00 C ATOM 1328 CD ARG A 86 16.383 4.372 -0.557 1.00 0.00 C ATOM 1329 NE ARG A 86 16.283 5.499 0.366 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.813 6.695 0.130 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.483 6.917 -0.994 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.673 7.670 1.017 1.00 0.00 N ATOM 0 H ARG A 86 11.746 3.584 0.447 1.00 0.00 H new ATOM 0 HA ARG A 86 13.460 1.620 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.805 4.127 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.150 3.970 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 86 16.157 2.771 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.706 2.349 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 86 17.433 4.130 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.968 4.658 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 86 15.778 5.361 1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.592 6.169 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.889 7.836 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.158 7.503 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.080 8.587 0.835 1.00 0.00 H new ATOM 1346 N ALA A 87 13.026 1.491 2.650 1.00 0.00 N ATOM 1347 CA ALA A 87 13.319 0.722 3.853 1.00 0.00 C ATOM 1348 C ALA A 87 12.950 -0.743 3.668 1.00 0.00 C ATOM 1349 O ALA A 87 13.693 -1.636 4.072 1.00 0.00 O ATOM 1350 CB ALA A 87 12.579 1.308 5.048 1.00 0.00 C ATOM 0 H ALA A 87 12.254 2.150 2.749 1.00 0.00 H new ATOM 0 HA ALA A 87 14.391 0.780 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.807 0.724 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.894 2.340 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.506 1.280 4.861 1.00 0.00 H new ATOM 1356 N ALA A 88 11.798 -0.981 3.052 1.00 0.00 N ATOM 1357 CA ALA A 88 11.331 -2.339 2.813 1.00 0.00 C ATOM 1358 C ALA A 88 12.241 -3.062 1.828 1.00 0.00 C ATOM 1359 O ALA A 88 12.516 -4.252 1.981 1.00 0.00 O ATOM 1360 CB ALA A 88 9.900 -2.324 2.301 1.00 0.00 C ATOM 0 H ALA A 88 11.172 -0.252 2.710 1.00 0.00 H new ATOM 0 HA ALA A 88 11.358 -2.880 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.565 -3.347 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.254 -1.851 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.853 -1.763 1.367 1.00 0.00 H new ATOM 1366 N MET A 89 12.704 -2.335 0.818 1.00 0.00 N ATOM 1367 CA MET A 89 13.587 -2.908 -0.189 1.00 0.00 C ATOM 1368 C MET A 89 14.929 -3.277 0.421 1.00 0.00 C ATOM 1369 O MET A 89 15.423 -4.384 0.228 1.00 0.00 O ATOM 1370 CB MET A 89 13.794 -1.925 -1.338 1.00 0.00 C ATOM 1371 CG MET A 89 12.498 -1.450 -1.964 1.00 0.00 C ATOM 1372 SD MET A 89 11.459 -2.811 -2.527 1.00 0.00 S ATOM 1373 CE MET A 89 10.278 -1.938 -3.552 1.00 0.00 C ATOM 0 H MET A 89 12.483 -1.350 0.675 1.00 0.00 H new ATOM 0 HA MET A 89 13.117 -3.812 -0.576 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.350 -1.062 -0.972 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.408 -2.398 -2.105 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.946 -0.853 -1.238 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.724 -0.798 -2.807 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.365 -2.527 -3.637 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.047 -0.974 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 89 10.703 -1.781 -4.544 1.00 0.00 H new ATOM 1383 N GLU A 90 15.515 -2.337 1.152 1.00 0.00 N ATOM 1384 CA GLU A 90 16.802 -2.564 1.799 1.00 0.00 C ATOM 1385 C GLU A 90 16.742 -3.784 2.712 1.00 0.00 C ATOM 1386 O GLU A 90 17.720 -4.522 2.839 1.00 0.00 O ATOM 1387 CB GLU A 90 17.217 -1.327 2.597 1.00 0.00 C ATOM 1388 CG GLU A 90 17.604 -0.146 1.722 1.00 0.00 C ATOM 1389 CD GLU A 90 17.964 1.086 2.527 1.00 0.00 C ATOM 1390 OE1 GLU A 90 19.149 1.230 2.894 1.00 0.00 O ATOM 1391 OE2 GLU A 90 17.062 1.910 2.788 1.00 0.00 O ATOM 0 H GLU A 90 15.120 -1.410 1.312 1.00 0.00 H new ATOM 0 HA GLU A 90 17.546 -2.752 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.395 -1.032 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.058 -1.584 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.451 -0.426 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.777 0.091 1.053 1.00 0.00 H new ATOM 1398 N LYS A 91 15.591 -3.992 3.345 1.00 0.00 N ATOM 1399 CA LYS A 91 15.410 -5.133 4.240 1.00 0.00 C ATOM 1400 C LYS A 91 15.167 -6.413 3.450 1.00 0.00 C ATOM 1401 O LYS A 91 15.484 -7.508 3.915 1.00 0.00 O ATOM 1402 CB LYS A 91 14.244 -4.882 5.198 1.00 0.00 C ATOM 1403 CG LYS A 91 14.484 -3.737 6.170 1.00 0.00 C ATOM 1404 CD LYS A 91 15.629 -4.041 7.124 1.00 0.00 C ATOM 1405 CE LYS A 91 15.824 -2.922 8.133 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.593 -2.676 8.933 1.00 0.00 N ATOM 0 H LYS A 91 14.773 -3.389 3.256 1.00 0.00 H new ATOM 0 HA LYS A 91 16.326 -5.253 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.347 -4.670 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.049 -5.792 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.706 -2.827 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.575 -3.547 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.429 -4.975 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.548 -4.185 6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.647 -3.175 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.107 -2.008 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.835 -2.128 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.908 -2.143 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.175 -3.585 9.215 1.00 0.00 H new ATOM 1420 N LEU A 92 14.606 -6.272 2.255 1.00 0.00 N ATOM 1421 CA LEU A 92 14.330 -7.412 1.404 1.00 0.00 C ATOM 1422 C LEU A 92 15.566 -7.747 0.574 1.00 0.00 C ATOM 1423 O LEU A 92 15.714 -8.858 0.076 1.00 0.00 O ATOM 1424 CB LEU A 92 13.115 -7.101 0.519 1.00 0.00 C ATOM 1425 CG LEU A 92 13.175 -7.627 -0.913 1.00 0.00 C ATOM 1426 CD1 LEU A 92 12.942 -9.130 -0.945 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.153 -6.908 -1.780 1.00 0.00 C ATOM 0 H LEU A 92 14.334 -5.373 1.856 1.00 0.00 H new ATOM 0 HA LEU A 92 14.093 -8.287 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.227 -7.512 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.985 -6.019 0.482 1.00 0.00 H new ATOM 0 HG LEU A 92 14.170 -7.431 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.989 -9.484 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.710 -9.630 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.960 -9.355 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.206 -7.292 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.153 -7.077 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.367 -5.839 -1.784 1.00 0.00 H new ATOM 1439 N ALA A 93 16.460 -6.771 0.451 1.00 0.00 N ATOM 1440 CA ALA A 93 17.696 -6.948 -0.300 1.00 0.00 C ATOM 1441 C ALA A 93 18.686 -7.803 0.485 1.00 0.00 C ATOM 1442 O ALA A 93 19.619 -8.371 -0.083 1.00 0.00 O ATOM 1443 CB ALA A 93 18.308 -5.596 -0.634 1.00 0.00 C ATOM 0 H ALA A 93 16.350 -5.845 0.864 1.00 0.00 H new ATOM 0 HA ALA A 93 17.463 -7.465 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.231 -5.743 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.606 -5.017 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.526 -5.057 0.288 1.00 0.00 H new ATOM 1449 N GLU A 94 18.474 -7.886 1.798 1.00 0.00 N ATOM 1450 CA GLU A 94 19.340 -8.675 2.666 1.00 0.00 C ATOM 1451 C GLU A 94 18.963 -10.150 2.591 1.00 0.00 C ATOM 1452 O GLU A 94 19.800 -11.030 2.800 1.00 0.00 O ATOM 1453 CB GLU A 94 19.242 -8.178 4.110 1.00 0.00 C ATOM 1454 CG GLU A 94 20.272 -8.801 5.038 1.00 0.00 C ATOM 1455 CD GLU A 94 20.138 -8.317 6.468 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.658 -7.223 6.776 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.514 -9.030 7.281 1.00 0.00 O ATOM 0 H GLU A 94 17.709 -7.415 2.282 1.00 0.00 H new ATOM 0 HA GLU A 94 20.369 -8.559 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.362 -7.095 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.244 -8.392 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.168 -9.886 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.272 -8.569 4.672 1.00 0.00 H new ATOM 1464 N THR A 95 17.695 -10.407 2.289 1.00 0.00 N ATOM 1465 CA THR A 95 17.191 -11.767 2.164 1.00 0.00 C ATOM 1466 C THR A 95 16.648 -11.975 0.761 1.00 0.00 C ATOM 1467 O THR A 95 15.882 -12.903 0.502 1.00 0.00 O ATOM 1468 CB THR A 95 16.077 -12.062 3.188 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.133 -10.983 3.209 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.658 -12.263 4.579 1.00 0.00 C ATOM 0 H THR A 95 16.994 -9.684 2.125 1.00 0.00 H new ATOM 0 HA THR A 95 18.018 -12.450 2.360 1.00 0.00 H new ATOM 0 HB THR A 95 15.572 -12.980 2.888 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.249 -11.327 3.456 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.852 -12.470 5.283 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.352 -13.103 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.186 -11.361 4.887 1.00 0.00 H new ATOM 1478 N GLY A 96 17.065 -11.090 -0.139 1.00 0.00 N ATOM 1479 CA GLY A 96 16.623 -11.148 -1.515 1.00 0.00 C ATOM 1480 C GLY A 96 16.846 -12.497 -2.157 1.00 0.00 C ATOM 1481 O GLY A 96 17.961 -13.023 -2.157 1.00 0.00 O ATOM 0 H GLY A 96 17.709 -10.326 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.562 -10.903 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.150 -10.387 -2.091 1.00 0.00 H new ATOM 1485 N THR A 97 15.777 -13.054 -2.704 1.00 0.00 N ATOM 1486 CA THR A 97 15.842 -14.345 -3.374 1.00 0.00 C ATOM 1487 C THR A 97 14.988 -14.344 -4.639 1.00 0.00 C ATOM 1488 O THR A 97 13.824 -13.947 -4.618 1.00 0.00 O ATOM 1489 CB THR A 97 15.378 -15.486 -2.449 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.380 -16.729 -3.161 1.00 0.00 O ATOM 1491 CG2 THR A 97 13.985 -15.213 -1.902 1.00 0.00 C ATOM 0 H THR A 97 14.849 -12.630 -2.697 1.00 0.00 H new ATOM 0 HA THR A 97 16.885 -14.514 -3.641 1.00 0.00 H new ATOM 0 HB THR A 97 16.073 -15.546 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.085 -17.448 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.682 -16.034 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.993 -14.284 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.280 -15.126 -2.729 1.00 0.00 H new ATOM 1499 N GLY A 98 15.582 -14.791 -5.743 1.00 0.00 N ATOM 1500 CA GLY A 98 14.870 -14.843 -7.006 1.00 0.00 C ATOM 1501 C GLY A 98 14.383 -13.482 -7.473 1.00 0.00 C ATOM 1502 O GLY A 98 15.175 -12.559 -7.664 1.00 0.00 O ATOM 0 H GLY A 98 16.547 -15.119 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.524 -15.269 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.016 -15.513 -6.907 1.00 0.00 H new ATOM 1506 N PHE A 99 13.071 -13.365 -7.657 1.00 0.00 N ATOM 1507 CA PHE A 99 12.456 -12.122 -8.117 1.00 0.00 C ATOM 1508 C PHE A 99 12.384 -11.081 -7.001 1.00 0.00 C ATOM 1509 O PHE A 99 12.554 -9.886 -7.245 1.00 0.00 O ATOM 1510 CB PHE A 99 11.053 -12.414 -8.659 1.00 0.00 C ATOM 1511 CG PHE A 99 10.219 -11.189 -8.915 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.449 -10.395 -10.026 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.199 -10.840 -8.044 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.676 -9.274 -10.264 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.425 -9.720 -8.276 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.663 -8.936 -9.388 1.00 0.00 C ATOM 0 H PHE A 99 12.408 -14.122 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 99 13.078 -11.709 -8.911 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.145 -12.977 -9.588 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.529 -13.054 -7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.240 -10.654 -10.714 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.007 -11.451 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.864 -8.663 -11.134 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.634 -9.457 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.058 -8.060 -9.572 1.00 0.00 H new ATOM 1526 N ALA A 100 12.134 -11.542 -5.779 1.00 0.00 N ATOM 1527 CA ALA A 100 12.027 -10.653 -4.625 1.00 0.00 C ATOM 1528 C ALA A 100 13.234 -9.723 -4.509 1.00 0.00 C ATOM 1529 O ALA A 100 13.091 -8.548 -4.177 1.00 0.00 O ATOM 1530 CB ALA A 100 11.866 -11.468 -3.351 1.00 0.00 C ATOM 0 H ALA A 100 12.001 -12.530 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 100 11.145 -10.029 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.787 -10.796 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.964 -12.075 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.732 -12.118 -3.223 1.00 0.00 H new ATOM 1536 N ARG A 101 14.419 -10.252 -4.784 1.00 0.00 N ATOM 1537 CA ARG A 101 15.647 -9.464 -4.699 1.00 0.00 C ATOM 1538 C ARG A 101 15.678 -8.363 -5.753 1.00 0.00 C ATOM 1539 O ARG A 101 15.768 -7.179 -5.423 1.00 0.00 O ATOM 1540 CB ARG A 101 16.861 -10.370 -4.874 1.00 0.00 C ATOM 1541 CG ARG A 101 18.189 -9.658 -4.668 1.00 0.00 C ATOM 1542 CD ARG A 101 19.205 -10.561 -3.987 1.00 0.00 C ATOM 1543 NE ARG A 101 20.496 -9.901 -3.812 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.427 -10.313 -2.956 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.212 -11.380 -2.198 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.577 -9.659 -2.858 1.00 0.00 N ATOM 0 H ARG A 101 14.559 -11.222 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 101 15.674 -8.996 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.790 -11.199 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.841 -10.800 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.580 -9.330 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.034 -8.763 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.821 -10.869 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.339 -11.467 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 101 20.695 -9.077 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.330 -11.888 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.928 -11.693 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.748 -8.839 -3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.290 -9.976 -2.201 1.00 0.00 H new ATOM 1560 N LYS A 102 15.616 -8.764 -7.022 1.00 0.00 N ATOM 1561 CA LYS A 102 15.638 -7.820 -8.138 1.00 0.00 C ATOM 1562 C LYS A 102 14.693 -6.652 -7.880 1.00 0.00 C ATOM 1563 O LYS A 102 14.951 -5.523 -8.295 1.00 0.00 O ATOM 1564 CB LYS A 102 15.241 -8.533 -9.435 1.00 0.00 C ATOM 1565 CG LYS A 102 15.057 -7.600 -10.625 1.00 0.00 C ATOM 1566 CD LYS A 102 16.371 -6.965 -11.054 1.00 0.00 C ATOM 1567 CE LYS A 102 17.324 -7.993 -11.643 1.00 0.00 C ATOM 1568 NZ LYS A 102 18.558 -7.361 -12.184 1.00 0.00 N ATOM 0 H LYS A 102 15.550 -9.742 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 102 16.651 -7.429 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.005 -9.271 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.312 -9.079 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.632 -8.156 -11.461 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.343 -6.818 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.176 -6.185 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.840 -6.483 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.594 -8.719 -10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.819 -8.542 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.181 -8.096 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.303 -6.687 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.054 -6.858 -11.421 1.00 0.00 H new ATOM 1582 N VAL A 103 13.604 -6.938 -7.185 1.00 0.00 N ATOM 1583 CA VAL A 103 12.605 -5.932 -6.858 1.00 0.00 C ATOM 1584 C VAL A 103 13.206 -4.782 -6.049 1.00 0.00 C ATOM 1585 O VAL A 103 13.174 -3.628 -6.476 1.00 0.00 O ATOM 1586 CB VAL A 103 11.448 -6.568 -6.062 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.619 -5.508 -5.349 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.572 -7.401 -6.983 1.00 0.00 C ATOM 0 H VAL A 103 13.387 -7.870 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 103 12.228 -5.529 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 103 11.878 -7.220 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.811 -5.988 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.253 -4.955 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.198 -4.821 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.759 -7.845 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.159 -6.765 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.170 -8.192 -7.436 1.00 0.00 H new ATOM 1598 N ALA A 104 13.752 -5.109 -4.884 1.00 0.00 N ATOM 1599 CA ALA A 104 14.342 -4.113 -3.995 1.00 0.00 C ATOM 1600 C ALA A 104 15.469 -3.327 -4.659 1.00 0.00 C ATOM 1601 O ALA A 104 15.431 -2.099 -4.729 1.00 0.00 O ATOM 1602 CB ALA A 104 14.863 -4.798 -2.741 1.00 0.00 C ATOM 0 H ALA A 104 13.799 -6.064 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 104 13.559 -3.398 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.304 -4.055 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.040 -5.298 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.620 -5.533 -3.016 1.00 0.00 H new ATOM 1608 N VAL A 105 16.465 -4.052 -5.146 1.00 0.00 N ATOM 1609 CA VAL A 105 17.640 -3.450 -5.774 1.00 0.00 C ATOM 1610 C VAL A 105 17.299 -2.591 -6.992 1.00 0.00 C ATOM 1611 O VAL A 105 17.589 -1.398 -7.012 1.00 0.00 O ATOM 1612 CB VAL A 105 18.658 -4.529 -6.192 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.855 -3.902 -6.894 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.105 -5.333 -4.981 1.00 0.00 C ATOM 0 H VAL A 105 16.485 -5.071 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 105 18.074 -2.797 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 105 18.172 -5.205 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.560 -4.683 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.518 -3.374 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.345 -3.200 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.824 -6.091 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.571 -4.668 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.241 -5.818 -4.527 1.00 0.00 H new ATOM 1624 N ASN A 106 16.700 -3.198 -8.009 1.00 0.00 N ATOM 1625 CA ASN A 106 16.359 -2.475 -9.234 1.00 0.00 C ATOM 1626 C ASN A 106 15.496 -1.245 -8.960 1.00 0.00 C ATOM 1627 O ASN A 106 15.657 -0.214 -9.613 1.00 0.00 O ATOM 1628 CB ASN A 106 15.643 -3.397 -10.221 1.00 0.00 C ATOM 1629 CG ASN A 106 15.206 -2.670 -11.479 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.960 -2.575 -12.447 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.983 -2.155 -11.470 1.00 0.00 N ATOM 0 H ASN A 106 16.440 -4.184 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 106 17.298 -2.132 -9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.305 -4.220 -10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.771 -3.836 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.634 -1.656 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.392 -2.258 -10.645 1.00 0.00 H new ATOM 1638 N TYR A 107 14.580 -1.351 -8.002 1.00 0.00 N ATOM 1639 CA TYR A 107 13.694 -0.255 -7.677 1.00 0.00 C ATOM 1640 C TYR A 107 14.480 0.949 -7.165 1.00 0.00 C ATOM 1641 O TYR A 107 14.008 2.084 -7.225 1.00 0.00 O ATOM 1642 CB TYR A 107 12.673 -0.720 -6.648 1.00 0.00 C ATOM 1643 CG TYR A 107 11.898 0.402 -6.020 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.981 1.148 -6.744 1.00 0.00 C ATOM 1645 CD2 TYR A 107 12.105 0.716 -4.698 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.286 2.183 -6.151 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.421 1.747 -4.092 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.510 2.479 -4.823 1.00 0.00 C ATOM 1649 OH TYR A 107 9.822 3.510 -4.226 1.00 0.00 O ATOM 0 H TYR A 107 14.437 -2.190 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 107 13.170 0.060 -8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.976 -1.409 -7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.187 -1.278 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.808 0.917 -7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.818 0.143 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.572 2.757 -6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.597 1.980 -3.052 1.00 0.00 H new ATOM 0 HH TYR A 107 10.273 3.766 -3.395 1.00 0.00 H new ATOM 1659 N LEU A 108 15.681 0.689 -6.661 1.00 0.00 N ATOM 1660 CA LEU A 108 16.538 1.744 -6.133 1.00 0.00 C ATOM 1661 C LEU A 108 16.833 2.799 -7.197 1.00 0.00 C ATOM 1662 O LEU A 108 17.266 3.907 -6.880 1.00 0.00 O ATOM 1663 CB LEU A 108 17.845 1.148 -5.610 1.00 0.00 C ATOM 1664 CG LEU A 108 17.702 0.233 -4.391 1.00 0.00 C ATOM 1665 CD1 LEU A 108 19.018 -0.473 -4.098 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.243 1.029 -3.178 1.00 0.00 C ATOM 0 H LEU A 108 16.084 -0.246 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 108 16.010 2.228 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.316 0.584 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.521 1.964 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 108 16.948 -0.522 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.898 -1.119 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.308 -1.074 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.791 0.268 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.147 0.363 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.975 1.805 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.278 1.490 -3.389 1.00 0.00 H new ATOM 1678 N GLU A 109 16.600 2.447 -8.458 1.00 0.00 N ATOM 1679 CA GLU A 109 16.836 3.371 -9.563 1.00 0.00 C ATOM 1680 C GLU A 109 15.895 4.570 -9.473 1.00 0.00 C ATOM 1681 O GLU A 109 16.189 5.643 -10.001 1.00 0.00 O ATOM 1682 CB GLU A 109 16.653 2.658 -10.905 1.00 0.00 C ATOM 1683 CG GLU A 109 17.669 1.554 -11.150 1.00 0.00 C ATOM 1684 CD GLU A 109 19.099 2.058 -11.112 1.00 0.00 C ATOM 1685 OE1 GLU A 109 19.695 2.069 -10.014 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.623 2.439 -12.180 1.00 0.00 O ATOM 0 H GLU A 109 16.249 1.532 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 109 17.863 3.730 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.650 2.234 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.724 3.391 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.542 0.775 -10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.475 1.095 -12.120 1.00 0.00 H new ATOM 1693 N THR A 110 14.764 4.375 -8.801 1.00 0.00 N ATOM 1694 CA THR A 110 13.779 5.437 -8.629 1.00 0.00 C ATOM 1695 C THR A 110 13.866 6.035 -7.230 1.00 0.00 C ATOM 1696 O THR A 110 14.081 7.236 -7.069 1.00 0.00 O ATOM 1697 CB THR A 110 12.345 4.921 -8.864 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.098 3.773 -8.046 1.00 0.00 O ATOM 1699 CG2 THR A 110 12.132 4.561 -10.327 1.00 0.00 C ATOM 0 H THR A 110 14.507 3.489 -8.366 1.00 0.00 H new ATOM 0 HA THR A 110 14.005 6.204 -9.370 1.00 0.00 H new ATOM 0 HB THR A 110 11.648 5.715 -8.596 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.865 3.165 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 110 11.113 4.200 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 110 12.293 5.444 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.837 3.782 -10.616 1.00 0.00 H new ATOM 1707 N HIS A 111 13.696 5.187 -6.219 1.00 0.00 N ATOM 1708 CA HIS A 111 13.757 5.628 -4.831 1.00 0.00 C ATOM 1709 C HIS A 111 14.512 4.617 -3.973 1.00 0.00 C ATOM 1710 O HIS A 111 15.750 4.742 -3.862 1.00 0.00 O ATOM 1711 CB HIS A 111 12.346 5.836 -4.275 1.00 0.00 C ATOM 1712 CG HIS A 111 11.564 6.883 -5.003 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.430 6.603 -5.738 1.00 0.00 N ATOM 1714 CD2 HIS A 111 11.754 8.221 -5.104 1.00 0.00 C ATOM 1715 CE1 HIS A 111 9.958 7.722 -6.258 1.00 0.00 C ATOM 1716 NE2 HIS A 111 10.743 8.717 -5.888 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.859 3.707 -3.418 1.00 0.00 O ATOM 0 H HIS A 111 13.515 4.190 -6.337 1.00 0.00 H new ATOM 0 HA HIS A 111 14.293 6.576 -4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.804 4.892 -4.321 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.416 6.113 -3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.552 8.791 -4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 111 9.079 7.808 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.618 9.696 -6.144 1.00 0.00 H new TER 1726 HIS A 111