USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 777 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 27 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.0086) USER MOD Set 1.2: A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 82 SER OG : rot -94:sc= -0.469 USER MOD Set 2.2: A 84 ASN : amide:sc= -8.45! C(o=-8.9!,f=-24!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 170:sc= -6.24! USER MOD Single : A 12 ASN :FLIP amide:sc= -0.547 F(o=-1.2,f=-0.55) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.32! C(o=-3.3!,f=-8.3!) USER MOD Single : A 23 GLN : amide:sc= 0.962 K(o=0.96,f=-0.038) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.116) USER MOD Single : A 26 SER OG : rot 180:sc= 0.149 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.144 (180deg=-1.37) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.419 (180deg=-1.22) USER MOD Single : A 36 TYR OH : rot 158:sc= -5.77! USER MOD Single : A 37 SER OG : rot -25:sc= -0.412! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.52 F(o=-2.2!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -150:sc= -0.939 USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -0.483 (180deg=-1.01) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0484 F(o=-0.95,f=-0.048) USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= -3.56! (180deg=-5.43!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0.0321 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 79 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-13!) USER MOD Single : A 83 SER OG : rot -88:sc= 1.04 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0048 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 8.957 -12.361 -7.648 1.00 0.00 N ATOM 14 CA TRP A 2 8.038 -11.220 -7.593 1.00 0.00 C ATOM 15 C TRP A 2 6.760 -11.560 -6.814 1.00 0.00 C ATOM 16 O TRP A 2 5.880 -12.217 -7.322 1.00 0.00 O ATOM 17 CB TRP A 2 7.672 -10.856 -9.056 1.00 0.00 C ATOM 18 CG TRP A 2 8.452 -9.614 -9.510 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.505 -9.107 -8.872 1.00 0.00 C ATOM 20 CD2 TRP A 2 8.096 -8.853 -10.516 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.754 -7.964 -9.547 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.897 -7.732 -10.609 1.00 0.00 C ATOM 23 CE3 TRP A 2 7.096 -9.060 -11.452 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.687 -6.817 -11.623 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.902 -8.146 -12.465 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.696 -7.026 -12.547 1.00 0.00 C ATOM 0 HA TRP A 2 8.518 -10.388 -7.079 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.898 -11.695 -9.714 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.601 -10.669 -9.134 1.00 0.00 H new ATOM 0 HD1 TRP A 2 10.032 -9.512 -8.021 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.509 -7.326 -9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.469 -9.937 -11.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.306 -5.934 -11.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.124 -8.310 -13.196 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.539 -6.310 -13.340 1.00 0.00 H new ATOM 37 N VAL A 3 6.689 -11.077 -5.579 1.00 0.00 N ATOM 38 CA VAL A 3 5.483 -11.355 -4.736 1.00 0.00 C ATOM 39 C VAL A 3 5.345 -10.350 -3.574 1.00 0.00 C ATOM 40 O VAL A 3 6.009 -10.481 -2.563 1.00 0.00 O ATOM 41 CB VAL A 3 5.635 -12.761 -4.115 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.486 -13.828 -5.199 1.00 0.00 C ATOM 43 CG2 VAL A 3 7.024 -12.883 -3.473 1.00 0.00 C ATOM 0 H VAL A 3 7.410 -10.510 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 3 4.604 -11.276 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 3 4.862 -12.906 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.594 -14.817 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.502 -13.744 -5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.255 -13.686 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.136 -13.874 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.791 -12.735 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.133 -12.127 -2.696 1.00 0.00 H new ATOM 53 N ILE A 4 4.486 -9.366 -3.734 1.00 0.00 N ATOM 54 CA ILE A 4 4.309 -8.365 -2.639 1.00 0.00 C ATOM 55 C ILE A 4 2.940 -7.660 -2.748 1.00 0.00 C ATOM 56 O ILE A 4 2.815 -6.603 -3.331 1.00 0.00 O ATOM 57 CB ILE A 4 5.421 -7.322 -2.771 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.306 -6.304 -1.646 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.267 -6.588 -4.118 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.548 -5.411 -1.649 1.00 0.00 C ATOM 0 H ILE A 4 3.910 -9.217 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 4 4.354 -8.872 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 4 6.389 -7.820 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.408 -5.700 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.211 -6.813 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.056 -5.843 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.340 -7.307 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.296 -6.095 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.472 -4.679 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.437 -6.024 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.621 -4.893 -2.605 1.00 0.00 H new ATOM 72 N PRO A 5 1.936 -8.283 -2.170 1.00 0.00 N ATOM 73 CA PRO A 5 0.569 -7.736 -2.190 1.00 0.00 C ATOM 74 C PRO A 5 0.353 -6.444 -1.342 1.00 0.00 C ATOM 75 O PRO A 5 -0.276 -5.512 -1.801 1.00 0.00 O ATOM 76 CB PRO A 5 -0.314 -8.876 -1.627 1.00 0.00 C ATOM 77 CG PRO A 5 0.621 -10.098 -1.342 1.00 0.00 C ATOM 78 CD PRO A 5 2.066 -9.635 -1.595 1.00 0.00 C ATOM 0 HA PRO A 5 0.327 -7.427 -3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.816 -8.557 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.092 -9.147 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.502 -10.442 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.367 -10.936 -1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.643 -9.617 -0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.582 -10.308 -2.280 1.00 0.00 H new ATOM 86 N PRO A 6 0.875 -6.413 -0.128 1.00 0.00 N ATOM 87 CA PRO A 6 0.718 -5.242 0.748 1.00 0.00 C ATOM 88 C PRO A 6 1.593 -4.055 0.339 1.00 0.00 C ATOM 89 O PRO A 6 2.737 -4.217 -0.038 1.00 0.00 O ATOM 90 CB PRO A 6 1.164 -5.736 2.130 1.00 0.00 C ATOM 91 CG PRO A 6 1.810 -7.141 1.931 1.00 0.00 C ATOM 92 CD PRO A 6 1.633 -7.515 0.447 1.00 0.00 C ATOM 0 HA PRO A 6 -0.309 -4.879 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.879 -5.043 2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.314 -5.796 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.866 -7.121 2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.331 -7.880 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.597 -7.633 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.101 -8.460 0.338 1.00 0.00 H new ATOM 100 N ILE A 7 1.021 -2.875 0.434 1.00 0.00 N ATOM 101 CA ILE A 7 1.770 -1.638 0.068 1.00 0.00 C ATOM 102 C ILE A 7 1.264 -0.453 0.899 1.00 0.00 C ATOM 103 O ILE A 7 0.289 -0.570 1.614 1.00 0.00 O ATOM 104 CB ILE A 7 1.539 -1.314 -1.423 1.00 0.00 C ATOM 105 CG1 ILE A 7 2.029 -2.458 -2.321 1.00 0.00 C ATOM 106 CG2 ILE A 7 2.336 -0.043 -1.771 1.00 0.00 C ATOM 107 CD1 ILE A 7 3.567 -2.508 -2.331 1.00 0.00 C ATOM 0 H ILE A 7 0.064 -2.720 0.751 1.00 0.00 H new ATOM 0 HA ILE A 7 2.830 -1.804 0.261 1.00 0.00 H new ATOM 0 HB ILE A 7 0.471 -1.173 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.630 -3.407 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.656 -2.318 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.186 0.204 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.990 0.784 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.396 -0.216 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.900 -3.324 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.959 -1.565 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.932 -2.671 -1.317 1.00 0.00 H new ATOM 119 N SER A 8 1.952 0.660 0.803 1.00 0.00 N ATOM 120 CA SER A 8 1.525 1.863 1.581 1.00 0.00 C ATOM 121 C SER A 8 1.639 3.128 0.731 1.00 0.00 C ATOM 122 O SER A 8 2.502 3.227 -0.119 1.00 0.00 O ATOM 123 CB SER A 8 2.445 2.000 2.804 1.00 0.00 C ATOM 124 OG SER A 8 1.996 3.185 3.445 1.00 0.00 O ATOM 0 H SER A 8 2.783 0.786 0.225 1.00 0.00 H new ATOM 0 HA SER A 8 0.485 1.741 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.364 1.135 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.491 2.079 2.509 1.00 0.00 H new ATOM 0 HG SER A 8 2.535 3.348 4.247 1.00 0.00 H new ATOM 130 N CYS A 9 0.761 4.075 0.982 1.00 0.00 N ATOM 131 CA CYS A 9 0.798 5.347 0.199 1.00 0.00 C ATOM 132 C CYS A 9 0.514 6.573 1.108 1.00 0.00 C ATOM 133 O CYS A 9 -0.426 6.563 1.878 1.00 0.00 O ATOM 134 CB CYS A 9 -0.301 5.268 -0.867 1.00 0.00 C ATOM 135 SG CYS A 9 0.084 4.375 -2.397 1.00 0.00 S ATOM 0 H CYS A 9 0.028 4.019 1.689 1.00 0.00 H new ATOM 0 HA CYS A 9 1.787 5.468 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.176 4.800 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.586 6.286 -1.134 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.003 4.217 -3.092 1.00 0.00 H new ATOM 141 N PRO A 10 1.344 7.619 0.996 1.00 0.00 N ATOM 142 CA PRO A 10 1.169 8.834 1.808 1.00 0.00 C ATOM 143 C PRO A 10 -0.106 9.604 1.475 1.00 0.00 C ATOM 144 O PRO A 10 -0.689 9.460 0.400 1.00 0.00 O ATOM 145 CB PRO A 10 2.389 9.716 1.473 1.00 0.00 C ATOM 146 CG PRO A 10 3.169 9.013 0.321 1.00 0.00 C ATOM 147 CD PRO A 10 2.513 7.640 0.099 1.00 0.00 C ATOM 0 HA PRO A 10 1.089 8.566 2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.070 10.713 1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.026 9.839 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.130 9.610 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.221 8.899 0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.213 7.511 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.204 6.831 0.335 1.00 0.00 H new ATOM 155 N GLU A 11 -0.502 10.423 2.416 1.00 0.00 N ATOM 156 CA GLU A 11 -1.712 11.230 2.238 1.00 0.00 C ATOM 157 C GLU A 11 -1.385 12.710 2.149 1.00 0.00 C ATOM 158 O GLU A 11 -0.518 13.203 2.845 1.00 0.00 O ATOM 159 CB GLU A 11 -2.587 11.021 3.467 1.00 0.00 C ATOM 160 CG GLU A 11 -3.989 11.477 3.132 1.00 0.00 C ATOM 161 CD GLU A 11 -4.666 12.062 4.382 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.946 12.674 5.156 1.00 0.00 O ATOM 163 OE2 GLU A 11 -5.864 11.869 4.487 1.00 0.00 O ATOM 0 H GLU A 11 -0.022 10.558 3.306 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.207 10.926 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.588 9.971 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.195 11.586 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.957 12.227 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.572 10.638 2.752 1.00 0.00 H new ATOM 170 N ASN A 12 -2.087 13.392 1.296 1.00 0.00 N ATOM 171 CA ASN A 12 -1.841 14.841 1.144 1.00 0.00 C ATOM 172 C ASN A 12 -0.349 15.152 1.036 1.00 0.00 C ATOM 173 O ASN A 12 0.230 15.722 1.940 1.00 0.00 O ATOM 174 CB ASN A 12 -2.400 15.536 2.393 1.00 0.00 C ATOM 175 CG ASN A 12 -3.886 15.199 2.537 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.369 14.954 3.726 1.00 0.00 O flip ATOM 177 ND2 ASN A 12 -4.620 15.157 1.571 1.00 0.00 N flip ATOM 0 H ASN A 12 -2.819 13.007 0.699 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.322 15.191 0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.854 15.211 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.266 16.615 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.249 15.347 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.608 14.931 1.690 1.00 0.00 H new ATOM 184 N GLU A 13 0.245 14.774 -0.073 1.00 0.00 N ATOM 185 CA GLU A 13 1.699 15.044 -0.257 1.00 0.00 C ATOM 186 C GLU A 13 1.908 16.243 -1.183 1.00 0.00 C ATOM 187 O GLU A 13 1.213 16.401 -2.165 1.00 0.00 O ATOM 188 CB GLU A 13 2.357 13.798 -0.885 1.00 0.00 C ATOM 189 CG GLU A 13 1.536 13.341 -2.088 1.00 0.00 C ATOM 190 CD GLU A 13 0.776 12.062 -1.729 1.00 0.00 C ATOM 191 OE1 GLU A 13 0.110 12.095 -0.707 1.00 0.00 O ATOM 192 OE2 GLU A 13 0.904 11.124 -2.499 1.00 0.00 O ATOM 0 H GLU A 13 -0.213 14.295 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 13 2.148 15.267 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.377 14.029 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.420 12.997 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.836 14.123 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.190 13.161 -2.941 1.00 0.00 H new ATOM 199 N LYS A 14 2.857 17.073 -0.847 1.00 0.00 N ATOM 200 CA LYS A 14 3.115 18.261 -1.698 1.00 0.00 C ATOM 201 C LYS A 14 4.146 17.949 -2.775 1.00 0.00 C ATOM 202 O LYS A 14 4.781 16.914 -2.743 1.00 0.00 O ATOM 203 CB LYS A 14 3.658 19.389 -0.808 1.00 0.00 C ATOM 204 CG LYS A 14 5.008 18.968 -0.225 1.00 0.00 C ATOM 205 CD LYS A 14 5.598 20.140 0.562 1.00 0.00 C ATOM 206 CE LYS A 14 6.181 19.624 1.880 1.00 0.00 C ATOM 207 NZ LYS A 14 7.069 20.653 2.490 1.00 0.00 N ATOM 0 H LYS A 14 3.458 16.979 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 14 2.184 18.556 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.769 20.304 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.954 19.605 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.884 18.102 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.687 18.671 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.374 20.632 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.827 20.885 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.374 19.375 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.743 18.707 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.458 20.290 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.848 20.871 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.522 21.517 2.676 1.00 0.00 H new ATOM 221 N GLY A 15 4.288 18.858 -3.709 1.00 0.00 N ATOM 222 CA GLY A 15 5.276 18.645 -4.813 1.00 0.00 C ATOM 223 C GLY A 15 4.604 18.837 -6.167 1.00 0.00 C ATOM 224 O GLY A 15 3.805 19.731 -6.340 1.00 0.00 O ATOM 0 H GLY A 15 3.766 19.733 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.105 19.345 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.695 17.641 -4.746 1.00 0.00 H new ATOM 228 N GLU A 16 4.941 17.985 -7.103 1.00 0.00 N ATOM 229 CA GLU A 16 4.331 18.101 -8.451 1.00 0.00 C ATOM 230 C GLU A 16 4.149 16.726 -9.089 1.00 0.00 C ATOM 231 O GLU A 16 5.104 16.074 -9.460 1.00 0.00 O ATOM 232 CB GLU A 16 5.267 18.944 -9.336 1.00 0.00 C ATOM 233 CG GLU A 16 4.430 19.732 -10.350 1.00 0.00 C ATOM 234 CD GLU A 16 3.791 20.938 -9.657 1.00 0.00 C ATOM 235 OE1 GLU A 16 3.669 20.865 -8.451 1.00 0.00 O ATOM 236 OE2 GLU A 16 3.460 21.863 -10.377 1.00 0.00 O ATOM 0 H GLU A 16 5.608 17.222 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 16 3.352 18.570 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.851 19.627 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.975 18.298 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.059 20.065 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.657 19.092 -10.775 1.00 0.00 H new ATOM 243 N PHE A 17 2.917 16.317 -9.198 1.00 0.00 N ATOM 244 CA PHE A 17 2.622 14.996 -9.803 1.00 0.00 C ATOM 245 C PHE A 17 2.983 15.007 -11.297 1.00 0.00 C ATOM 246 O PHE A 17 3.061 16.061 -11.896 1.00 0.00 O ATOM 247 CB PHE A 17 1.112 14.767 -9.621 1.00 0.00 C ATOM 248 CG PHE A 17 0.819 14.749 -8.122 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.112 13.629 -7.366 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.303 15.869 -7.494 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.895 13.632 -6.006 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.088 15.866 -6.133 1.00 0.00 C ATOM 253 CZ PHE A 17 0.384 14.749 -5.392 1.00 0.00 C ATOM 0 H PHE A 17 2.100 16.845 -8.892 1.00 0.00 H new ATOM 0 HA PHE A 17 3.202 14.203 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.544 15.557 -10.112 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.810 13.826 -10.080 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.513 12.748 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.068 16.750 -8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.127 12.754 -5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.314 16.744 -5.649 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.215 14.749 -4.325 1.00 0.00 H new ATOM 263 N PRO A 18 3.206 13.828 -11.894 1.00 0.00 N ATOM 264 CA PRO A 18 3.090 12.504 -11.230 1.00 0.00 C ATOM 265 C PRO A 18 4.157 12.269 -10.160 1.00 0.00 C ATOM 266 O PRO A 18 5.160 12.953 -10.111 1.00 0.00 O ATOM 267 CB PRO A 18 3.301 11.482 -12.371 1.00 0.00 C ATOM 268 CG PRO A 18 3.631 12.283 -13.666 1.00 0.00 C ATOM 269 CD PRO A 18 3.573 13.776 -13.310 1.00 0.00 C ATOM 0 HA PRO A 18 2.130 12.423 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.113 10.798 -12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.406 10.876 -12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.619 12.016 -14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.916 12.048 -14.455 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.535 14.258 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.839 14.298 -13.925 1.00 0.00 H new ATOM 277 N LYS A 19 3.904 11.291 -9.318 1.00 0.00 N ATOM 278 CA LYS A 19 4.872 10.970 -8.234 1.00 0.00 C ATOM 279 C LYS A 19 5.017 9.453 -8.073 1.00 0.00 C ATOM 280 O LYS A 19 4.056 8.760 -7.819 1.00 0.00 O ATOM 281 CB LYS A 19 4.322 11.565 -6.921 1.00 0.00 C ATOM 282 CG LYS A 19 5.246 11.192 -5.754 1.00 0.00 C ATOM 283 CD LYS A 19 6.538 12.006 -5.852 1.00 0.00 C ATOM 284 CE LYS A 19 7.320 11.862 -4.543 1.00 0.00 C ATOM 285 NZ LYS A 19 8.759 12.182 -4.757 1.00 0.00 N ATOM 0 H LYS A 19 3.069 10.706 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 19 5.849 11.386 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.247 12.649 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.316 11.190 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.749 11.390 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.471 10.126 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.140 11.656 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.309 13.055 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.902 12.527 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.220 10.845 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.275 12.079 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.158 11.530 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.850 13.160 -5.099 1.00 0.00 H new ATOM 299 N ASN A 20 6.224 8.967 -8.227 1.00 0.00 N ATOM 300 CA ASN A 20 6.452 7.498 -8.088 1.00 0.00 C ATOM 301 C ASN A 20 6.257 7.048 -6.644 1.00 0.00 C ATOM 302 O ASN A 20 6.362 7.844 -5.732 1.00 0.00 O ATOM 303 CB ASN A 20 7.898 7.194 -8.504 1.00 0.00 C ATOM 304 CG ASN A 20 8.205 7.892 -9.828 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.995 9.078 -9.982 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.702 7.191 -10.811 1.00 0.00 N ATOM 0 H ASN A 20 7.054 9.520 -8.441 1.00 0.00 H new ATOM 0 HA ASN A 20 5.737 6.968 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.589 7.534 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.040 6.118 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.912 7.640 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.881 6.194 -10.687 1.00 0.00 H new ATOM 313 N LEU A 21 5.972 5.769 -6.462 1.00 0.00 N ATOM 314 CA LEU A 21 5.768 5.251 -5.076 1.00 0.00 C ATOM 315 C LEU A 21 6.526 3.942 -4.851 1.00 0.00 C ATOM 316 O LEU A 21 7.527 3.918 -4.165 1.00 0.00 O ATOM 317 CB LEU A 21 4.264 4.992 -4.863 1.00 0.00 C ATOM 318 CG LEU A 21 3.541 6.324 -4.617 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.062 6.042 -4.328 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.162 7.032 -3.406 1.00 0.00 C ATOM 0 H LEU A 21 5.875 5.079 -7.206 1.00 0.00 H new ATOM 0 HA LEU A 21 6.145 5.993 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.843 4.494 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.116 4.324 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 21 3.637 6.959 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.540 6.982 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.615 5.533 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.978 5.409 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.647 7.977 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.063 6.399 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.218 7.224 -3.599 1.00 0.00 H new ATOM 332 N VAL A 22 6.039 2.877 -5.434 1.00 0.00 N ATOM 333 CA VAL A 22 6.733 1.572 -5.248 1.00 0.00 C ATOM 334 C VAL A 22 6.535 0.667 -6.463 1.00 0.00 C ATOM 335 O VAL A 22 5.623 0.858 -7.231 1.00 0.00 O ATOM 336 CB VAL A 22 6.132 0.893 -4.005 1.00 0.00 C ATOM 337 CG1 VAL A 22 6.368 -0.615 -4.080 1.00 0.00 C ATOM 338 CG2 VAL A 22 6.819 1.447 -2.755 1.00 0.00 C ATOM 0 H VAL A 22 5.205 2.855 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 22 7.803 1.743 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 22 5.061 1.091 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.942 -1.094 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.892 -1.014 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.439 -0.814 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.400 0.972 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.888 1.241 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.659 2.524 -2.699 1.00 0.00 H new ATOM 348 N GLN A 23 7.398 -0.309 -6.608 1.00 0.00 N ATOM 349 CA GLN A 23 7.277 -1.237 -7.770 1.00 0.00 C ATOM 350 C GLN A 23 6.310 -2.388 -7.491 1.00 0.00 C ATOM 351 O GLN A 23 6.088 -2.758 -6.356 1.00 0.00 O ATOM 352 CB GLN A 23 8.667 -1.823 -8.061 1.00 0.00 C ATOM 353 CG GLN A 23 9.560 -0.723 -8.640 1.00 0.00 C ATOM 354 CD GLN A 23 10.645 -1.355 -9.512 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.813 -1.349 -9.172 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.306 -1.909 -10.644 1.00 0.00 N ATOM 0 H GLN A 23 8.175 -0.501 -5.976 1.00 0.00 H new ATOM 0 HA GLN A 23 6.888 -0.674 -8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.106 -2.222 -7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.587 -2.652 -8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.963 -0.028 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.015 -0.147 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.328 -1.918 -10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.019 -2.333 -11.238 1.00 0.00 H new ATOM 365 N ILE A 24 5.758 -2.934 -8.554 1.00 0.00 N ATOM 366 CA ILE A 24 4.797 -4.065 -8.404 1.00 0.00 C ATOM 367 C ILE A 24 5.441 -5.398 -8.792 1.00 0.00 C ATOM 368 O ILE A 24 6.379 -5.439 -9.563 1.00 0.00 O ATOM 369 CB ILE A 24 3.601 -3.796 -9.322 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.527 -3.042 -8.553 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.022 -5.138 -9.794 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.482 -2.509 -9.535 1.00 0.00 C ATOM 0 H ILE A 24 5.935 -2.641 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 24 4.486 -4.134 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 24 3.925 -3.203 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.055 -3.701 -7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.973 -2.218 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.170 -4.956 -10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.786 -5.692 -10.339 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.699 -5.719 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.710 -1.968 -8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.961 -1.836 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.029 -3.342 -10.072 1.00 0.00 H new ATOM 384 N LYS A 25 4.915 -6.468 -8.238 1.00 0.00 N ATOM 385 CA LYS A 25 5.474 -7.810 -8.551 1.00 0.00 C ATOM 386 C LYS A 25 4.366 -8.895 -8.638 1.00 0.00 C ATOM 387 O LYS A 25 3.479 -8.930 -7.807 1.00 0.00 O ATOM 388 CB LYS A 25 6.445 -8.153 -7.412 1.00 0.00 C ATOM 389 CG LYS A 25 7.558 -7.090 -7.387 1.00 0.00 C ATOM 390 CD LYS A 25 8.574 -7.421 -6.290 1.00 0.00 C ATOM 391 CE LYS A 25 9.788 -6.506 -6.446 1.00 0.00 C ATOM 392 NZ LYS A 25 9.411 -5.091 -6.172 1.00 0.00 N ATOM 0 H LYS A 25 4.129 -6.463 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 25 5.969 -7.789 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.918 -8.174 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.871 -9.145 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.056 -7.050 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.127 -6.105 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.124 -7.286 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.878 -8.465 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.577 -6.818 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.190 -6.593 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.269 -4.505 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.790 -4.744 -6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.910 -5.035 -5.262 1.00 0.00 H new ATOM 406 N SER A 26 4.445 -9.766 -9.656 1.00 0.00 N ATOM 407 CA SER A 26 3.394 -10.851 -9.801 1.00 0.00 C ATOM 408 C SER A 26 4.028 -12.250 -9.891 1.00 0.00 C ATOM 409 O SER A 26 5.218 -12.409 -9.736 1.00 0.00 O ATOM 410 CB SER A 26 2.578 -10.603 -11.083 1.00 0.00 C ATOM 411 OG SER A 26 1.375 -11.331 -10.869 1.00 0.00 O ATOM 0 H SER A 26 5.174 -9.767 -10.369 1.00 0.00 H new ATOM 0 HA SER A 26 2.756 -10.814 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.381 -9.541 -11.232 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.107 -10.957 -11.968 1.00 0.00 H new ATOM 0 HG SER A 26 0.787 -11.227 -11.646 1.00 0.00 H new ATOM 417 N ASN A 27 3.206 -13.239 -10.164 1.00 0.00 N ATOM 418 CA ASN A 27 3.735 -14.633 -10.266 1.00 0.00 C ATOM 419 C ASN A 27 4.048 -15.058 -11.707 1.00 0.00 C ATOM 420 O ASN A 27 5.106 -15.588 -11.974 1.00 0.00 O ATOM 421 CB ASN A 27 2.666 -15.585 -9.708 1.00 0.00 C ATOM 422 CG ASN A 27 2.400 -15.241 -8.242 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.315 -14.837 -7.873 1.00 0.00 O ATOM 424 ND2 ASN A 27 3.363 -15.389 -7.373 1.00 0.00 N ATOM 0 H ASN A 27 2.203 -13.140 -10.319 1.00 0.00 H new ATOM 0 HA ASN A 27 4.669 -14.673 -9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.747 -15.497 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.001 -16.618 -9.796 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.202 -15.166 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.276 -15.728 -7.676 1.00 0.00 H new ATOM 431 N ARG A 28 3.119 -14.836 -12.605 1.00 0.00 N ATOM 432 CA ARG A 28 3.365 -15.233 -14.029 1.00 0.00 C ATOM 433 C ARG A 28 4.791 -14.912 -14.474 1.00 0.00 C ATOM 434 O ARG A 28 5.278 -15.469 -15.439 1.00 0.00 O ATOM 435 CB ARG A 28 2.381 -14.474 -14.936 1.00 0.00 C ATOM 436 CG ARG A 28 0.947 -14.805 -14.512 1.00 0.00 C ATOM 437 CD ARG A 28 0.538 -16.148 -15.125 1.00 0.00 C ATOM 438 NE ARG A 28 0.505 -16.012 -16.608 1.00 0.00 N ATOM 439 CZ ARG A 28 -0.070 -16.940 -17.323 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.628 -17.980 -17.687 1.00 0.00 N ATOM 441 NH2 ARG A 28 -1.325 -16.796 -17.646 1.00 0.00 N ATOM 0 H ARG A 28 2.214 -14.404 -12.419 1.00 0.00 H new ATOM 0 HA ARG A 28 3.221 -16.311 -14.106 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.556 -13.400 -14.864 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.539 -14.753 -15.978 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.878 -14.852 -13.425 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.267 -14.019 -14.841 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.244 -16.926 -14.834 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.441 -16.450 -14.752 1.00 0.00 H new ATOM 0 HE ARG A 28 0.928 -15.201 -17.060 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.607 -18.058 -17.413 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.195 -18.715 -18.246 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.839 -15.969 -17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.793 -17.510 -18.204 1.00 0.00 H new ATOM 455 N ASP A 29 5.439 -14.030 -13.769 1.00 0.00 N ATOM 456 CA ASP A 29 6.830 -13.677 -14.151 1.00 0.00 C ATOM 457 C ASP A 29 7.745 -14.905 -14.095 1.00 0.00 C ATOM 458 O ASP A 29 8.953 -14.781 -14.158 1.00 0.00 O ATOM 459 CB ASP A 29 7.351 -12.622 -13.155 1.00 0.00 C ATOM 460 CG ASP A 29 7.949 -13.325 -11.931 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.154 -13.831 -11.156 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.165 -13.314 -11.842 1.00 0.00 O ATOM 0 H ASP A 29 5.069 -13.543 -12.953 1.00 0.00 H new ATOM 0 HA ASP A 29 6.832 -13.292 -15.171 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.105 -11.997 -13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.538 -11.963 -12.848 1.00 0.00 H new ATOM 467 N LYS A 30 7.152 -16.070 -13.979 1.00 0.00 N ATOM 468 CA LYS A 30 7.976 -17.308 -13.917 1.00 0.00 C ATOM 469 C LYS A 30 8.125 -17.949 -15.296 1.00 0.00 C ATOM 470 O LYS A 30 8.945 -18.829 -15.482 1.00 0.00 O ATOM 471 CB LYS A 30 7.270 -18.309 -12.983 1.00 0.00 C ATOM 472 CG LYS A 30 7.569 -17.933 -11.528 1.00 0.00 C ATOM 473 CD LYS A 30 7.196 -19.106 -10.615 1.00 0.00 C ATOM 474 CE LYS A 30 5.679 -19.117 -10.402 1.00 0.00 C ATOM 475 NZ LYS A 30 5.257 -17.940 -9.590 1.00 0.00 N ATOM 0 H LYS A 30 6.143 -16.212 -13.925 1.00 0.00 H new ATOM 0 HA LYS A 30 8.969 -17.050 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.195 -18.296 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.615 -19.322 -13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.625 -17.689 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.004 -17.044 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.519 -20.047 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.709 -19.014 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.170 -19.102 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.383 -20.038 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.382 -18.168 -9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.006 -17.702 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.089 -17.128 -10.217 1.00 0.00 H new ATOM 489 N GLU A 31 7.331 -17.494 -16.240 1.00 0.00 N ATOM 490 CA GLU A 31 7.411 -18.066 -17.619 1.00 0.00 C ATOM 491 C GLU A 31 8.015 -17.068 -18.604 1.00 0.00 C ATOM 492 O GLU A 31 8.858 -17.420 -19.405 1.00 0.00 O ATOM 493 CB GLU A 31 5.984 -18.406 -18.082 1.00 0.00 C ATOM 494 CG GLU A 31 4.999 -17.435 -17.427 1.00 0.00 C ATOM 495 CD GLU A 31 3.611 -17.627 -18.044 1.00 0.00 C ATOM 496 OE1 GLU A 31 3.127 -18.743 -17.950 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.113 -16.647 -18.574 1.00 0.00 O ATOM 0 H GLU A 31 6.637 -16.757 -16.114 1.00 0.00 H new ATOM 0 HA GLU A 31 8.047 -18.951 -17.593 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.915 -18.336 -19.168 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.736 -19.432 -17.812 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.959 -17.610 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.334 -16.408 -17.570 1.00 0.00 H new ATOM 504 N THR A 32 7.578 -15.838 -18.527 1.00 0.00 N ATOM 505 CA THR A 32 8.123 -14.812 -19.457 1.00 0.00 C ATOM 506 C THR A 32 7.987 -13.414 -18.874 1.00 0.00 C ATOM 507 O THR A 32 7.123 -13.163 -18.057 1.00 0.00 O ATOM 508 CB THR A 32 7.302 -14.863 -20.751 1.00 0.00 C ATOM 509 OG1 THR A 32 8.081 -14.184 -21.715 1.00 0.00 O ATOM 510 CG2 THR A 32 6.027 -14.013 -20.612 1.00 0.00 C ATOM 0 H THR A 32 6.875 -15.504 -17.867 1.00 0.00 H new ATOM 0 HA THR A 32 9.178 -15.021 -19.632 1.00 0.00 H new ATOM 0 HB THR A 32 7.052 -15.895 -20.995 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.610 -14.182 -22.574 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.456 -14.060 -21.539 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.421 -14.398 -19.792 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.300 -12.978 -20.406 1.00 0.00 H new ATOM 518 N LYS A 33 8.843 -12.516 -19.302 1.00 0.00 N ATOM 519 CA LYS A 33 8.753 -11.138 -18.771 1.00 0.00 C ATOM 520 C LYS A 33 7.322 -10.659 -18.901 1.00 0.00 C ATOM 521 O LYS A 33 6.852 -10.401 -19.993 1.00 0.00 O ATOM 522 CB LYS A 33 9.668 -10.228 -19.601 1.00 0.00 C ATOM 523 CG LYS A 33 10.260 -9.149 -18.691 1.00 0.00 C ATOM 524 CD LYS A 33 11.015 -8.129 -19.546 1.00 0.00 C ATOM 525 CE LYS A 33 12.254 -8.796 -20.143 1.00 0.00 C ATOM 526 NZ LYS A 33 12.904 -9.682 -19.137 1.00 0.00 N ATOM 0 H LYS A 33 9.584 -12.682 -19.983 1.00 0.00 H new ATOM 0 HA LYS A 33 9.058 -11.115 -17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.466 -10.813 -20.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.105 -9.768 -20.413 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.467 -8.655 -18.129 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.933 -9.600 -17.962 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.370 -7.754 -20.341 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.305 -7.271 -18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.974 -9.377 -21.022 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.960 -8.035 -20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.891 -9.856 -19.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.882 -9.223 -18.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.393 -10.587 -19.089 1.00 0.00 H new ATOM 540 N VAL A 34 6.653 -10.543 -17.788 1.00 0.00 N ATOM 541 CA VAL A 34 5.245 -10.086 -17.828 1.00 0.00 C ATOM 542 C VAL A 34 5.085 -8.603 -17.496 1.00 0.00 C ATOM 543 O VAL A 34 5.730 -8.077 -16.612 1.00 0.00 O ATOM 544 CB VAL A 34 4.465 -10.904 -16.790 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.079 -10.686 -15.407 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.015 -10.435 -16.770 1.00 0.00 C ATOM 0 H VAL A 34 7.022 -10.745 -16.859 1.00 0.00 H new ATOM 0 HA VAL A 34 4.873 -10.228 -18.843 1.00 0.00 H new ATOM 0 HB VAL A 34 4.510 -11.962 -17.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.526 -11.266 -14.668 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.120 -11.008 -15.416 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.029 -9.628 -15.149 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.456 -11.013 -16.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.978 -9.378 -16.506 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.573 -10.578 -17.756 1.00 0.00 H new ATOM 556 N PHE A 35 4.213 -7.968 -18.235 1.00 0.00 N ATOM 557 CA PHE A 35 3.945 -6.522 -18.028 1.00 0.00 C ATOM 558 C PHE A 35 2.684 -6.383 -17.192 1.00 0.00 C ATOM 559 O PHE A 35 1.927 -7.322 -17.099 1.00 0.00 O ATOM 560 CB PHE A 35 3.712 -5.860 -19.399 1.00 0.00 C ATOM 561 CG PHE A 35 5.056 -5.562 -20.077 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.210 -6.238 -19.704 1.00 0.00 C ATOM 563 CD2 PHE A 35 5.134 -4.607 -21.075 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.412 -5.959 -20.322 1.00 0.00 C ATOM 565 CE2 PHE A 35 6.338 -4.332 -21.688 1.00 0.00 C ATOM 566 CZ PHE A 35 7.475 -5.008 -21.311 1.00 0.00 C ATOM 0 H PHE A 35 3.670 -8.400 -18.982 1.00 0.00 H new ATOM 0 HA PHE A 35 4.787 -6.047 -17.524 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.115 -6.517 -20.032 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.146 -4.937 -19.274 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.167 -6.986 -18.926 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.245 -4.073 -21.376 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.305 -6.490 -20.027 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.388 -3.584 -22.466 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.417 -4.791 -21.793 1.00 0.00 H new ATOM 576 N TYR A 36 2.468 -5.224 -16.598 1.00 0.00 N ATOM 577 CA TYR A 36 1.226 -5.062 -15.758 1.00 0.00 C ATOM 578 C TYR A 36 0.304 -3.940 -16.220 1.00 0.00 C ATOM 579 O TYR A 36 0.566 -3.232 -17.172 1.00 0.00 O ATOM 580 CB TYR A 36 1.651 -4.751 -14.310 1.00 0.00 C ATOM 581 CG TYR A 36 2.398 -5.948 -13.702 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.898 -7.238 -13.810 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.579 -5.751 -13.026 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.573 -8.299 -13.251 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.251 -6.812 -12.466 1.00 0.00 C ATOM 586 CZ TYR A 36 3.758 -8.096 -12.572 1.00 0.00 C ATOM 587 OH TYR A 36 4.429 -9.159 -11.994 1.00 0.00 O ATOM 0 H TYR A 36 3.076 -4.407 -16.654 1.00 0.00 H new ATOM 0 HA TYR A 36 0.670 -5.996 -15.847 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.291 -3.869 -14.294 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.772 -4.519 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.971 -7.411 -14.337 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.983 -4.754 -12.934 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.173 -9.298 -13.344 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.176 -6.638 -11.937 1.00 0.00 H new ATOM 0 HH TYR A 36 5.373 -8.925 -11.877 1.00 0.00 H new ATOM 597 N SER A 37 -0.785 -3.841 -15.506 1.00 0.00 N ATOM 598 CA SER A 37 -1.813 -2.817 -15.785 1.00 0.00 C ATOM 599 C SER A 37 -2.664 -2.661 -14.530 1.00 0.00 C ATOM 600 O SER A 37 -2.734 -3.576 -13.745 1.00 0.00 O ATOM 601 CB SER A 37 -2.697 -3.312 -16.941 1.00 0.00 C ATOM 602 OG SER A 37 -1.770 -3.682 -17.951 1.00 0.00 O ATOM 0 H SER A 37 -1.004 -4.451 -14.718 1.00 0.00 H new ATOM 0 HA SER A 37 -1.357 -1.865 -16.056 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.314 -4.157 -16.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.374 -2.531 -17.288 1.00 0.00 H new ATOM 0 HG SER A 37 -0.938 -3.179 -17.831 1.00 0.00 H new ATOM 608 N ILE A 38 -3.294 -1.520 -14.353 1.00 0.00 N ATOM 609 CA ILE A 38 -4.137 -1.335 -13.121 1.00 0.00 C ATOM 610 C ILE A 38 -5.568 -0.936 -13.436 1.00 0.00 C ATOM 611 O ILE A 38 -5.846 -0.304 -14.436 1.00 0.00 O ATOM 612 CB ILE A 38 -3.518 -0.228 -12.276 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.382 0.019 -11.043 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.475 1.060 -13.111 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.758 1.137 -10.208 1.00 0.00 C ATOM 0 H ILE A 38 -3.264 -0.725 -14.991 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.164 -2.292 -12.600 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.514 -0.520 -11.968 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.394 0.293 -11.342 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.461 -0.893 -10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.034 1.862 -12.520 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.873 0.895 -14.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.488 1.338 -13.403 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.372 1.318 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.755 0.844 -9.899 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.702 2.048 -10.804 1.00 0.00 H new ATOM 627 N THR A 39 -6.452 -1.331 -12.556 1.00 0.00 N ATOM 628 CA THR A 39 -7.883 -1.011 -12.737 1.00 0.00 C ATOM 629 C THR A 39 -8.605 -1.130 -11.394 1.00 0.00 C ATOM 630 O THR A 39 -8.154 -1.839 -10.510 1.00 0.00 O ATOM 631 CB THR A 39 -8.498 -2.008 -13.727 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.661 -1.371 -14.217 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.027 -3.254 -13.002 1.00 0.00 C ATOM 0 H THR A 39 -6.233 -1.866 -11.715 1.00 0.00 H new ATOM 0 HA THR A 39 -7.986 0.005 -13.119 1.00 0.00 H new ATOM 0 HB THR A 39 -7.756 -2.288 -14.474 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.108 -1.957 -14.863 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.457 -3.943 -13.729 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.207 -3.745 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.792 -2.960 -12.284 1.00 0.00 H new ATOM 641 N GLY A 40 -9.707 -0.433 -11.263 1.00 0.00 N ATOM 642 CA GLY A 40 -10.480 -0.492 -9.976 1.00 0.00 C ATOM 643 C GLY A 40 -10.464 0.873 -9.277 1.00 0.00 C ATOM 644 O GLY A 40 -10.026 1.857 -9.840 1.00 0.00 O ATOM 0 H GLY A 40 -10.105 0.170 -11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.508 -0.793 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.049 -1.248 -9.320 1.00 0.00 H new ATOM 648 N GLN A 41 -10.948 0.904 -8.056 1.00 0.00 N ATOM 649 CA GLN A 41 -10.967 2.194 -7.309 1.00 0.00 C ATOM 650 C GLN A 41 -9.600 2.851 -7.322 1.00 0.00 C ATOM 651 O GLN A 41 -8.759 2.566 -6.493 1.00 0.00 O ATOM 652 CB GLN A 41 -11.370 1.923 -5.852 1.00 0.00 C ATOM 653 CG GLN A 41 -10.779 0.591 -5.397 1.00 0.00 C ATOM 654 CD GLN A 41 -10.820 0.515 -3.866 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.709 1.616 -3.168 1.00 0.00 O flip ATOM 656 NE2 GLN A 41 -10.954 -0.545 -3.291 1.00 0.00 N flip ATOM 0 H GLN A 41 -11.325 0.100 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.682 2.861 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.014 2.729 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.456 1.900 -5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.342 -0.236 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.752 0.496 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.041 -1.408 -3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.979 -0.573 -2.272 1.00 0.00 H new ATOM 665 N GLY A 42 -9.411 3.734 -8.255 1.00 0.00 N ATOM 666 CA GLY A 42 -8.103 4.433 -8.350 1.00 0.00 C ATOM 667 C GLY A 42 -7.763 4.687 -9.817 1.00 0.00 C ATOM 668 O GLY A 42 -6.846 5.426 -10.139 1.00 0.00 O ATOM 0 H GLY A 42 -10.102 4.003 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.144 5.377 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.323 3.831 -7.884 1.00 0.00 H new ATOM 672 N ALA A 43 -8.508 4.056 -10.673 1.00 0.00 N ATOM 673 CA ALA A 43 -8.277 4.220 -12.122 1.00 0.00 C ATOM 674 C ALA A 43 -9.610 4.285 -12.851 1.00 0.00 C ATOM 675 O ALA A 43 -9.918 5.262 -13.504 1.00 0.00 O ATOM 676 CB ALA A 43 -7.486 3.006 -12.625 1.00 0.00 C ATOM 0 H ALA A 43 -9.273 3.429 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.723 5.140 -12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.305 3.108 -13.695 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.533 2.949 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.058 2.097 -12.439 1.00 0.00 H new ATOM 682 N ASP A 44 -10.379 3.232 -12.721 1.00 0.00 N ATOM 683 CA ASP A 44 -11.703 3.195 -13.393 1.00 0.00 C ATOM 684 C ASP A 44 -12.810 3.509 -12.395 1.00 0.00 C ATOM 685 O ASP A 44 -13.832 4.061 -12.752 1.00 0.00 O ATOM 686 CB ASP A 44 -11.931 1.779 -13.943 1.00 0.00 C ATOM 687 CG ASP A 44 -12.209 0.828 -12.776 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.530 0.986 -11.777 1.00 0.00 O ATOM 689 OD2 ASP A 44 -13.086 -0.001 -12.952 1.00 0.00 O ATOM 0 H ASP A 44 -10.143 2.401 -12.179 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.720 3.934 -14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.770 1.776 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.055 1.446 -14.499 1.00 0.00 H new ATOM 694 N LYS A 45 -12.578 3.145 -11.156 1.00 0.00 N ATOM 695 CA LYS A 45 -13.594 3.405 -10.099 1.00 0.00 C ATOM 696 C LYS A 45 -13.159 4.582 -9.212 1.00 0.00 C ATOM 697 O LYS A 45 -11.978 4.831 -9.043 1.00 0.00 O ATOM 698 CB LYS A 45 -13.700 2.152 -9.215 1.00 0.00 C ATOM 699 CG LYS A 45 -14.787 1.226 -9.753 1.00 0.00 C ATOM 700 CD LYS A 45 -14.631 -0.145 -9.087 1.00 0.00 C ATOM 701 CE LYS A 45 -15.453 -1.181 -9.854 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.311 -2.523 -9.221 1.00 0.00 N ATOM 0 H LYS A 45 -11.729 2.680 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.548 3.643 -10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.743 1.630 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.930 2.439 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.774 1.639 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.704 1.133 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.581 -0.437 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.963 -0.097 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.502 -0.886 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.121 -1.223 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.874 -3.218 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.311 -2.808 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.649 -2.481 -8.238 1.00 0.00 H new ATOM 716 N PRO A 46 -14.133 5.291 -8.662 1.00 0.00 N ATOM 717 CA PRO A 46 -13.852 6.434 -7.796 1.00 0.00 C ATOM 718 C PRO A 46 -12.922 6.035 -6.625 1.00 0.00 C ATOM 719 O PRO A 46 -13.212 5.100 -5.906 1.00 0.00 O ATOM 720 CB PRO A 46 -15.233 6.845 -7.232 1.00 0.00 C ATOM 721 CG PRO A 46 -16.304 5.944 -7.919 1.00 0.00 C ATOM 722 CD PRO A 46 -15.557 4.990 -8.864 1.00 0.00 C ATOM 0 HA PRO A 46 -13.352 7.234 -8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.260 6.716 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.432 7.898 -7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.870 5.383 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.020 6.551 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.777 3.949 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.851 5.151 -9.901 1.00 0.00 H new ATOM 730 N PRO A 47 -11.810 6.756 -6.448 1.00 0.00 N ATOM 731 CA PRO A 47 -11.411 7.886 -7.304 1.00 0.00 C ATOM 732 C PRO A 47 -11.027 7.410 -8.705 1.00 0.00 C ATOM 733 O PRO A 47 -10.094 6.650 -8.867 1.00 0.00 O ATOM 734 CB PRO A 47 -10.164 8.476 -6.616 1.00 0.00 C ATOM 735 CG PRO A 47 -9.792 7.529 -5.436 1.00 0.00 C ATOM 736 CD PRO A 47 -10.890 6.460 -5.348 1.00 0.00 C ATOM 0 HA PRO A 47 -12.224 8.603 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.337 8.554 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.367 9.483 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.819 7.068 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.723 8.087 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.472 5.458 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.402 6.500 -4.386 1.00 0.00 H new ATOM 744 N VAL A 48 -11.751 7.861 -9.687 1.00 0.00 N ATOM 745 CA VAL A 48 -11.435 7.441 -11.068 1.00 0.00 C ATOM 746 C VAL A 48 -10.277 8.256 -11.648 1.00 0.00 C ATOM 747 O VAL A 48 -10.402 9.440 -11.890 1.00 0.00 O ATOM 748 CB VAL A 48 -12.694 7.644 -11.934 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.402 8.937 -11.516 1.00 0.00 C ATOM 750 CG2 VAL A 48 -12.293 7.739 -13.407 1.00 0.00 C ATOM 0 H VAL A 48 -12.542 8.498 -9.590 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.133 6.394 -11.061 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.368 6.799 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.292 9.079 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.691 8.871 -10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.728 9.782 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.184 7.882 -14.018 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.618 8.583 -13.546 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.791 6.819 -13.708 1.00 0.00 H new ATOM 760 N GLY A 49 -9.161 7.605 -11.843 1.00 0.00 N ATOM 761 CA GLY A 49 -7.982 8.321 -12.409 1.00 0.00 C ATOM 762 C GLY A 49 -7.132 8.975 -11.315 1.00 0.00 C ATOM 763 O GLY A 49 -7.247 10.157 -11.062 1.00 0.00 O ATOM 0 H GLY A 49 -9.016 6.617 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.369 7.620 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.322 9.084 -13.109 1.00 0.00 H new ATOM 767 N VAL A 50 -6.295 8.192 -10.688 1.00 0.00 N ATOM 768 CA VAL A 50 -5.433 8.754 -9.618 1.00 0.00 C ATOM 769 C VAL A 50 -4.152 7.945 -9.493 1.00 0.00 C ATOM 770 O VAL A 50 -3.095 8.497 -9.244 1.00 0.00 O ATOM 771 CB VAL A 50 -6.186 8.714 -8.284 1.00 0.00 C ATOM 772 CG1 VAL A 50 -7.277 9.782 -8.288 1.00 0.00 C ATOM 773 CG2 VAL A 50 -6.826 7.350 -8.108 1.00 0.00 C ATOM 0 H VAL A 50 -6.174 7.196 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.181 9.783 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.490 8.901 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.815 9.756 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.824 10.764 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.972 9.589 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.362 7.319 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.524 7.167 -8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.053 6.582 -8.113 1.00 0.00 H new ATOM 783 N PHE A 51 -4.273 6.638 -9.659 1.00 0.00 N ATOM 784 CA PHE A 51 -3.070 5.757 -9.561 1.00 0.00 C ATOM 785 C PHE A 51 -2.690 5.229 -10.942 1.00 0.00 C ATOM 786 O PHE A 51 -3.545 4.898 -11.741 1.00 0.00 O ATOM 787 CB PHE A 51 -3.387 4.531 -8.665 1.00 0.00 C ATOM 788 CG PHE A 51 -3.826 4.956 -7.250 1.00 0.00 C ATOM 789 CD1 PHE A 51 -3.665 6.260 -6.794 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.381 4.017 -6.395 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.050 6.603 -5.514 1.00 0.00 C ATOM 792 CE2 PHE A 51 -4.762 4.367 -5.119 1.00 0.00 C ATOM 793 CZ PHE A 51 -4.596 5.659 -4.681 1.00 0.00 C ATOM 0 H PHE A 51 -5.150 6.155 -9.856 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.254 6.344 -9.140 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.175 3.937 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.506 3.893 -8.596 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.237 7.008 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.516 3.000 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.921 7.618 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.192 3.626 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.896 5.932 -3.680 1.00 0.00 H new ATOM 803 N ILE A 52 -1.416 5.164 -11.194 1.00 0.00 N ATOM 804 CA ILE A 52 -0.938 4.664 -12.511 1.00 0.00 C ATOM 805 C ILE A 52 0.297 3.794 -12.318 1.00 0.00 C ATOM 806 O ILE A 52 1.071 4.034 -11.422 1.00 0.00 O ATOM 807 CB ILE A 52 -0.567 5.868 -13.373 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.331 6.801 -12.579 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.856 6.622 -13.742 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.783 7.953 -13.476 1.00 0.00 C ATOM 0 H ILE A 52 -0.681 5.437 -10.542 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.720 4.073 -12.988 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.048 5.533 -14.271 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.204 7.189 -11.712 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.197 6.257 -12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.608 7.486 -14.359 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.519 5.959 -14.297 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.355 6.956 -12.832 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.428 8.624 -12.909 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.333 7.556 -14.329 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.089 8.502 -13.831 1.00 0.00 H new ATOM 822 N ILE A 53 0.462 2.801 -13.164 1.00 0.00 N ATOM 823 CA ILE A 53 1.657 1.909 -13.027 1.00 0.00 C ATOM 824 C ILE A 53 2.348 1.687 -14.361 1.00 0.00 C ATOM 825 O ILE A 53 1.723 1.715 -15.403 1.00 0.00 O ATOM 826 CB ILE A 53 1.191 0.552 -12.477 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.551 -0.287 -13.582 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.138 0.807 -11.389 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.116 -1.632 -12.995 1.00 0.00 C ATOM 0 H ILE A 53 -0.170 2.573 -13.932 1.00 0.00 H new ATOM 0 HA ILE A 53 2.369 2.386 -12.353 1.00 0.00 H new ATOM 0 HB ILE A 53 2.051 0.015 -12.077 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.308 0.236 -14.003 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.260 -0.442 -14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.206 -0.145 -10.985 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.578 1.402 -10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.707 1.345 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.342 -2.239 -13.776 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.986 -2.153 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.606 -1.464 -12.196 1.00 0.00 H new ATOM 841 N GLU A 54 3.635 1.471 -14.304 1.00 0.00 N ATOM 842 CA GLU A 54 4.396 1.240 -15.556 1.00 0.00 C ATOM 843 C GLU A 54 4.270 -0.217 -15.985 1.00 0.00 C ATOM 844 O GLU A 54 4.893 -1.094 -15.416 1.00 0.00 O ATOM 845 CB GLU A 54 5.875 1.564 -15.291 1.00 0.00 C ATOM 846 CG GLU A 54 6.367 2.561 -16.343 1.00 0.00 C ATOM 847 CD GLU A 54 6.459 1.862 -17.701 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.434 1.340 -18.109 1.00 0.00 O ATOM 849 OE2 GLU A 54 7.546 1.891 -18.252 1.00 0.00 O ATOM 0 H GLU A 54 4.186 1.445 -13.446 1.00 0.00 H new ATOM 0 HA GLU A 54 4.001 1.876 -16.348 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.995 1.982 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.472 0.653 -15.329 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.685 3.409 -16.403 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.342 2.956 -16.058 1.00 0.00 H new ATOM 856 N ARG A 55 3.465 -0.446 -16.978 1.00 0.00 N ATOM 857 CA ARG A 55 3.278 -1.833 -17.463 1.00 0.00 C ATOM 858 C ARG A 55 4.608 -2.545 -17.671 1.00 0.00 C ATOM 859 O ARG A 55 4.647 -3.755 -17.744 1.00 0.00 O ATOM 860 CB ARG A 55 2.535 -1.778 -18.807 1.00 0.00 C ATOM 861 CG ARG A 55 3.420 -1.082 -19.845 1.00 0.00 C ATOM 862 CD ARG A 55 2.606 -0.833 -21.120 1.00 0.00 C ATOM 863 NE ARG A 55 3.385 0.062 -22.024 1.00 0.00 N ATOM 864 CZ ARG A 55 2.880 1.211 -22.381 1.00 0.00 C ATOM 865 NH1 ARG A 55 2.833 2.178 -21.506 1.00 0.00 N ATOM 866 NH2 ARG A 55 2.437 1.355 -23.601 1.00 0.00 N ATOM 0 H ARG A 55 2.929 0.267 -17.474 1.00 0.00 H new ATOM 0 HA ARG A 55 2.712 -2.386 -16.713 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.287 -2.786 -19.140 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.594 -1.239 -18.694 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.793 -0.138 -19.448 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.290 -1.699 -20.070 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.390 -1.777 -21.619 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.648 -0.377 -20.872 1.00 0.00 H new ATOM 0 HE ARG A 55 4.305 -0.222 -22.360 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.188 2.029 -20.561 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.442 3.083 -21.767 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.489 0.576 -24.258 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.039 2.246 -23.897 1.00 0.00 H new ATOM 880 N GLU A 56 5.676 -1.791 -17.753 1.00 0.00 N ATOM 881 CA GLU A 56 7.005 -2.430 -17.958 1.00 0.00 C ATOM 882 C GLU A 56 7.698 -2.713 -16.632 1.00 0.00 C ATOM 883 O GLU A 56 7.829 -3.852 -16.227 1.00 0.00 O ATOM 884 CB GLU A 56 7.885 -1.467 -18.769 1.00 0.00 C ATOM 885 CG GLU A 56 7.523 -1.579 -20.248 1.00 0.00 C ATOM 886 CD GLU A 56 8.447 -0.672 -21.063 1.00 0.00 C ATOM 887 OE1 GLU A 56 8.377 0.522 -20.829 1.00 0.00 O ATOM 888 OE2 GLU A 56 9.170 -1.227 -21.874 1.00 0.00 O ATOM 0 H GLU A 56 5.683 -0.773 -17.687 1.00 0.00 H new ATOM 0 HA GLU A 56 6.858 -3.375 -18.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.739 -0.444 -18.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.938 -1.706 -18.621 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.621 -2.612 -20.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.483 -1.292 -20.403 1.00 0.00 H new ATOM 895 N THR A 57 8.133 -1.672 -15.981 1.00 0.00 N ATOM 896 CA THR A 57 8.824 -1.861 -14.679 1.00 0.00 C ATOM 897 C THR A 57 7.824 -1.962 -13.539 1.00 0.00 C ATOM 898 O THR A 57 8.188 -1.876 -12.383 1.00 0.00 O ATOM 899 CB THR A 57 9.729 -0.650 -14.432 1.00 0.00 C ATOM 900 OG1 THR A 57 8.853 0.449 -14.301 1.00 0.00 O ATOM 901 CG2 THR A 57 10.566 -0.330 -15.679 1.00 0.00 C ATOM 0 H THR A 57 8.041 -0.705 -16.292 1.00 0.00 H new ATOM 0 HA THR A 57 9.401 -2.785 -14.717 1.00 0.00 H new ATOM 0 HB THR A 57 10.377 -0.841 -13.576 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.301 1.263 -14.611 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.201 0.533 -15.480 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.189 -1.188 -15.929 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.903 -0.107 -16.515 1.00 0.00 H new ATOM 909 N GLY A 58 6.582 -2.144 -13.881 1.00 0.00 N ATOM 910 CA GLY A 58 5.547 -2.252 -12.820 1.00 0.00 C ATOM 911 C GLY A 58 5.738 -1.146 -11.781 1.00 0.00 C ATOM 912 O GLY A 58 5.321 -1.278 -10.647 1.00 0.00 O ATOM 0 H GLY A 58 6.241 -2.222 -14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.553 -2.178 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.610 -3.228 -12.339 1.00 0.00 H new ATOM 916 N TRP A 59 6.371 -0.076 -12.187 1.00 0.00 N ATOM 917 CA TRP A 59 6.592 1.039 -11.236 1.00 0.00 C ATOM 918 C TRP A 59 5.270 1.701 -10.875 1.00 0.00 C ATOM 919 O TRP A 59 4.642 2.332 -11.704 1.00 0.00 O ATOM 920 CB TRP A 59 7.506 2.080 -11.906 1.00 0.00 C ATOM 921 CG TRP A 59 8.850 2.128 -11.168 1.00 0.00 C ATOM 922 CD1 TRP A 59 10.006 1.747 -11.693 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.007 2.551 -9.938 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.891 1.962 -10.702 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.333 2.476 -9.546 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.056 3.028 -9.057 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.702 2.877 -8.278 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.429 3.429 -7.789 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.751 3.354 -7.400 1.00 0.00 C ATOM 0 H TRP A 59 6.739 0.068 -13.127 1.00 0.00 H new ATOM 0 HA TRP A 59 7.051 0.650 -10.327 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.663 1.822 -12.953 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.033 3.062 -11.887 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.193 1.356 -12.682 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.887 1.763 -10.796 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.021 3.087 -9.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.736 2.817 -7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.685 3.802 -7.101 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.041 3.669 -6.408 1.00 0.00 H new ATOM 940 N LEU A 60 4.862 1.539 -9.646 1.00 0.00 N ATOM 941 CA LEU A 60 3.582 2.154 -9.220 1.00 0.00 C ATOM 942 C LEU A 60 3.765 3.627 -8.867 1.00 0.00 C ATOM 943 O LEU A 60 4.524 3.977 -7.972 1.00 0.00 O ATOM 944 CB LEU A 60 3.051 1.405 -7.985 1.00 0.00 C ATOM 945 CG LEU A 60 1.519 1.360 -8.053 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.964 0.786 -6.752 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.980 2.780 -8.238 1.00 0.00 C ATOM 0 H LEU A 60 5.357 1.012 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 60 2.875 2.083 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.457 0.394 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.373 1.906 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 60 1.214 0.732 -8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.124 0.755 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.349 -0.223 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.270 1.416 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.109 2.752 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.290 3.399 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.374 3.201 -9.163 1.00 0.00 H new ATOM 959 N LYS A 61 3.061 4.457 -9.588 1.00 0.00 N ATOM 960 CA LYS A 61 3.140 5.921 -9.354 1.00 0.00 C ATOM 961 C LYS A 61 1.738 6.496 -9.247 1.00 0.00 C ATOM 962 O LYS A 61 0.803 5.915 -9.751 1.00 0.00 O ATOM 963 CB LYS A 61 3.844 6.565 -10.559 1.00 0.00 C ATOM 964 CG LYS A 61 4.914 5.607 -11.086 1.00 0.00 C ATOM 965 CD LYS A 61 5.906 6.389 -11.947 1.00 0.00 C ATOM 966 CE LYS A 61 5.135 7.186 -13.001 1.00 0.00 C ATOM 967 NZ LYS A 61 4.159 6.311 -13.708 1.00 0.00 N ATOM 0 H LYS A 61 2.428 4.176 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 61 3.688 6.120 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.120 6.787 -11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.298 7.512 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.433 5.129 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.452 4.813 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.496 7.062 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.605 5.706 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.611 8.016 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.831 7.618 -13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.126 6.570 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.453 5.318 -13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.215 6.433 -13.288 1.00 0.00 H new ATOM 981 N VAL A 62 1.614 7.626 -8.593 1.00 0.00 N ATOM 982 CA VAL A 62 0.265 8.250 -8.448 1.00 0.00 C ATOM 983 C VAL A 62 0.259 9.682 -8.951 1.00 0.00 C ATOM 984 O VAL A 62 1.241 10.395 -8.839 1.00 0.00 O ATOM 985 CB VAL A 62 -0.114 8.259 -6.960 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.337 6.824 -6.489 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.022 8.884 -6.153 1.00 0.00 C ATOM 0 H VAL A 62 2.382 8.138 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.446 7.671 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.026 8.838 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.606 6.825 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.142 6.372 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.578 6.249 -6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.756 8.892 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.932 8.301 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.190 9.906 -6.492 1.00 0.00 H new ATOM 997 N THR A 63 -0.854 10.070 -9.507 1.00 0.00 N ATOM 998 CA THR A 63 -0.974 11.442 -10.029 1.00 0.00 C ATOM 999 C THR A 63 -1.576 12.343 -8.962 1.00 0.00 C ATOM 1000 O THR A 63 -1.347 13.539 -8.952 1.00 0.00 O ATOM 1001 CB THR A 63 -1.910 11.418 -11.241 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.151 10.952 -10.746 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.471 10.347 -12.252 1.00 0.00 C ATOM 0 H THR A 63 -1.684 9.488 -9.619 1.00 0.00 H new ATOM 0 HA THR A 63 0.009 11.819 -10.310 1.00 0.00 H new ATOM 0 HB THR A 63 -1.929 12.401 -11.711 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.802 10.914 -11.478 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.151 10.350 -13.104 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.459 10.564 -12.595 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.490 9.367 -11.775 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.345 11.739 -8.080 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.987 12.528 -6.985 1.00 0.00 C ATOM 1013 C GLN A 64 -2.705 11.877 -5.619 1.00 0.00 C ATOM 1014 O GLN A 64 -2.581 10.673 -5.524 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.511 12.528 -7.219 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.859 13.551 -8.302 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.299 14.025 -8.104 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.131 13.265 -7.444 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.681 15.090 -8.546 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.552 10.740 -8.075 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.586 13.542 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.844 11.535 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.032 12.771 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.175 14.398 -8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.743 13.106 -9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.036 15.689 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.646 15.386 -8.401 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.607 12.694 -4.572 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.341 12.178 -3.229 1.00 0.00 C ATOM 1030 C PRO A 65 -3.515 11.352 -2.736 1.00 0.00 C ATOM 1031 O PRO A 65 -4.574 11.375 -3.332 1.00 0.00 O ATOM 1032 CB PRO A 65 -2.208 13.432 -2.338 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.537 14.670 -3.227 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.756 14.158 -4.662 1.00 0.00 C ATOM 0 HA PRO A 65 -1.454 11.545 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.891 13.375 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.200 13.509 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.428 15.180 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.721 15.392 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.744 14.432 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.027 14.587 -5.350 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.324 10.639 -1.656 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.446 9.824 -1.145 1.00 0.00 C ATOM 1044 C LEU A 66 -5.286 10.644 -0.178 1.00 0.00 C ATOM 1045 O LEU A 66 -4.872 11.705 0.248 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.875 8.604 -0.425 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.573 7.526 -1.470 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.273 7.878 -2.195 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.416 6.182 -0.777 1.00 0.00 C ATOM 0 H LEU A 66 -2.457 10.590 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.078 9.506 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.968 8.873 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.587 8.230 0.311 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.391 7.472 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.053 7.113 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.381 8.844 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.457 7.927 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.201 5.413 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.596 6.235 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.339 5.933 -0.253 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.455 10.143 0.147 1.00 0.00 N ATOM 1062 CA ASP A 67 -7.340 10.890 1.089 1.00 0.00 C ATOM 1063 C ASP A 67 -7.850 9.997 2.206 1.00 0.00 C ATOM 1064 O ASP A 67 -8.843 9.315 2.055 1.00 0.00 O ATOM 1065 CB ASP A 67 -8.547 11.422 0.297 1.00 0.00 C ATOM 1066 CG ASP A 67 -9.447 12.228 1.235 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -9.176 12.175 2.422 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -10.357 12.850 0.711 1.00 0.00 O ATOM 0 H ASP A 67 -6.829 9.258 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.764 11.700 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.208 12.048 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.105 10.593 -0.139 1.00 0.00 H new ATOM 1073 N ARG A 68 -7.164 10.021 3.317 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.597 9.179 4.457 1.00 0.00 C ATOM 1075 C ARG A 68 -9.038 9.505 4.828 1.00 0.00 C ATOM 1076 O ARG A 68 -9.751 8.676 5.356 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.687 9.493 5.664 1.00 0.00 C ATOM 1078 CG ARG A 68 -6.572 8.258 6.580 1.00 0.00 C ATOM 1079 CD ARG A 68 -7.580 8.375 7.730 1.00 0.00 C ATOM 1080 NE ARG A 68 -7.462 9.726 8.348 1.00 0.00 N ATOM 1081 CZ ARG A 68 -8.095 9.983 9.460 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -9.029 9.162 9.862 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -7.773 11.050 10.137 1.00 0.00 N ATOM 0 H ARG A 68 -6.329 10.584 3.479 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.528 8.126 4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.698 9.790 5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.093 10.335 6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.761 7.350 6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.560 8.180 6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.593 8.219 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.391 7.603 8.476 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.890 10.445 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.254 8.335 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.533 9.348 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.037 11.668 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.257 11.267 11.008 1.00 0.00 H new ATOM 1097 N GLU A 69 -9.439 10.716 4.538 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.828 11.125 4.861 1.00 0.00 C ATOM 1099 C GLU A 69 -11.822 10.356 4.003 1.00 0.00 C ATOM 1100 O GLU A 69 -12.938 10.104 4.413 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.978 12.629 4.563 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.743 13.375 5.077 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.699 13.290 6.604 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.502 12.183 7.079 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.865 14.336 7.209 1.00 0.00 O ATOM 0 H GLU A 69 -8.864 11.432 4.094 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.028 10.915 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.093 12.789 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.877 13.018 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.838 12.941 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.776 14.417 4.760 1.00 0.00 H new ATOM 1112 N ALA A 70 -11.396 9.995 2.823 1.00 0.00 N ATOM 1113 CA ALA A 70 -12.298 9.242 1.921 1.00 0.00 C ATOM 1114 C ALA A 70 -12.092 7.744 2.089 1.00 0.00 C ATOM 1115 O ALA A 70 -13.038 6.988 2.174 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.965 9.631 0.472 1.00 0.00 C ATOM 0 H ALA A 70 -10.467 10.190 2.451 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.334 9.482 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.619 9.087 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.113 10.703 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.926 9.379 0.257 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.852 7.344 2.135 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.550 5.901 2.298 1.00 0.00 C ATOM 1124 C ILE A 71 -9.252 5.717 3.072 1.00 0.00 C ATOM 1125 O ILE A 71 -8.268 6.373 2.796 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.389 5.277 0.910 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.718 5.315 0.169 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.962 3.808 1.081 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.528 4.732 -1.231 1.00 0.00 C ATOM 0 H ILE A 71 -10.038 7.955 2.067 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.362 5.423 2.846 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.642 5.833 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.469 4.744 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.082 6.340 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.843 3.347 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.016 3.765 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.725 3.270 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.477 4.756 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.789 5.322 -1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.182 3.701 -1.152 1.00 0.00 H new ATOM 1141 N ALA A 72 -9.265 4.826 4.024 1.00 0.00 N ATOM 1142 CA ALA A 72 -8.032 4.597 4.819 1.00 0.00 C ATOM 1143 C ALA A 72 -7.158 3.536 4.162 1.00 0.00 C ATOM 1144 O ALA A 72 -5.997 3.382 4.497 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.441 4.108 6.216 1.00 0.00 C ATOM 0 H ALA A 72 -10.068 4.253 4.282 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.467 5.527 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.548 3.934 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.061 4.863 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.005 3.179 6.126 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.732 2.827 3.234 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.961 1.771 2.539 1.00 0.00 C ATOM 1153 C LYS A 73 -7.500 1.569 1.128 1.00 0.00 C ATOM 1154 O LYS A 73 -8.680 1.348 0.942 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.109 0.461 3.326 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.771 -0.715 2.409 1.00 0.00 C ATOM 1157 CD LYS A 73 -6.150 -1.841 3.241 1.00 0.00 C ATOM 1158 CE LYS A 73 -7.020 -2.094 4.474 1.00 0.00 C ATOM 1159 NZ LYS A 73 -8.460 -1.883 4.152 1.00 0.00 N ATOM 0 H LYS A 73 -8.699 2.935 2.929 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.913 2.065 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.446 0.465 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.127 0.363 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.671 -1.071 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.077 -0.397 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.071 -2.750 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.139 -1.570 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.867 -3.112 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.720 -1.425 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.035 -2.593 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.747 -0.930 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.604 -1.979 3.126 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.624 1.649 0.159 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.068 1.467 -1.246 1.00 0.00 C ATOM 1175 C TYR A 74 -6.775 0.059 -1.751 1.00 0.00 C ATOM 1176 O TYR A 74 -5.684 -0.458 -1.571 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.294 2.457 -2.140 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.809 3.885 -1.925 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.843 4.446 -0.662 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.227 4.642 -3.002 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.285 5.741 -0.485 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.667 5.935 -2.823 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.701 6.495 -1.563 1.00 0.00 C ATOM 1184 OH TYR A 74 -8.146 7.789 -1.383 1.00 0.00 O ATOM 0 H TYR A 74 -5.628 1.831 0.283 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.144 1.639 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.230 2.409 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.407 2.176 -3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.522 3.867 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.209 4.216 -3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.306 6.168 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.988 6.515 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.398 8.172 -2.249 1.00 0.00 H new ATOM 1194 N ILE A 75 -7.769 -0.532 -2.370 1.00 0.00 N ATOM 1195 CA ILE A 75 -7.605 -1.904 -2.913 1.00 0.00 C ATOM 1196 C ILE A 75 -7.725 -1.843 -4.424 1.00 0.00 C ATOM 1197 O ILE A 75 -8.805 -1.678 -4.955 1.00 0.00 O ATOM 1198 CB ILE A 75 -8.716 -2.795 -2.355 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -8.681 -2.762 -0.835 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -8.465 -4.240 -2.823 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -9.415 -3.986 -0.283 1.00 0.00 C ATOM 0 H ILE A 75 -8.688 -0.116 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.633 -2.309 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.685 -2.440 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.649 -2.754 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.149 -1.848 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.249 -4.890 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.472 -4.276 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.497 -4.579 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.391 -3.964 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.450 -3.973 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.927 -4.894 -0.638 1.00 0.00 H new ATOM 1213 N LEU A 76 -6.613 -1.980 -5.091 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.640 -1.926 -6.576 1.00 0.00 C ATOM 1215 C LEU A 76 -6.636 -3.310 -7.185 1.00 0.00 C ATOM 1216 O LEU A 76 -6.480 -4.288 -6.500 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.367 -1.199 -7.051 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.533 0.309 -6.865 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.594 0.824 -7.834 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -5.972 0.600 -5.436 1.00 0.00 C ATOM 0 H LEU A 76 -5.694 -2.126 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.549 -1.411 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.504 -1.552 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.177 -1.427 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.583 0.806 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.715 1.899 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.284 0.615 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.542 0.326 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.090 1.675 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.922 0.103 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.218 0.230 -4.741 1.00 0.00 H new ATOM 1232 N TYR A 77 -6.848 -3.352 -8.470 1.00 0.00 N ATOM 1233 CA TYR A 77 -6.864 -4.647 -9.187 1.00 0.00 C ATOM 1234 C TYR A 77 -5.984 -4.516 -10.414 1.00 0.00 C ATOM 1235 O TYR A 77 -6.189 -3.630 -11.221 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.308 -4.957 -9.604 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.077 -5.440 -8.370 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.062 -6.774 -8.011 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.776 -4.546 -7.584 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -9.733 -7.204 -6.885 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.449 -4.977 -6.459 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.432 -6.309 -6.100 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.101 -6.740 -4.972 1.00 0.00 O ATOM 0 H TYR A 77 -7.012 -2.534 -9.056 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.493 -5.453 -8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.781 -4.068 -10.021 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.322 -5.720 -10.382 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.521 -7.486 -8.617 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.796 -3.500 -7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.711 -8.250 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.993 -4.266 -5.855 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.538 -5.977 -4.539 1.00 0.00 H new ATOM 1253 N SER A 78 -5.014 -5.397 -10.537 1.00 0.00 N ATOM 1254 CA SER A 78 -4.107 -5.321 -11.714 1.00 0.00 C ATOM 1255 C SER A 78 -4.224 -6.525 -12.635 1.00 0.00 C ATOM 1256 O SER A 78 -4.695 -7.588 -12.247 1.00 0.00 O ATOM 1257 CB SER A 78 -2.665 -5.246 -11.187 1.00 0.00 C ATOM 1258 OG SER A 78 -2.339 -6.589 -10.874 1.00 0.00 O ATOM 0 H SER A 78 -4.819 -6.152 -9.880 1.00 0.00 H new ATOM 0 HA SER A 78 -4.385 -4.443 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.988 -4.836 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.595 -4.604 -10.309 1.00 0.00 H new ATOM 0 HG SER A 78 -1.423 -6.631 -10.528 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.781 -6.315 -13.852 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.821 -7.385 -14.873 1.00 0.00 C ATOM 1266 C HIS A 79 -2.435 -7.543 -15.497 1.00 0.00 C ATOM 1267 O HIS A 79 -1.760 -6.563 -15.751 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.812 -6.961 -15.966 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.128 -6.538 -15.311 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.213 -7.142 -15.434 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.394 -5.466 -14.479 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.136 -6.576 -14.776 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.708 -5.491 -14.127 1.00 0.00 N ATOM 0 H HIS A 79 -3.389 -5.431 -14.176 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.125 -8.329 -14.420 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.400 -6.137 -16.548 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.984 -7.785 -16.658 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.341 -7.985 -15.994 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.674 -4.727 -14.160 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.155 -6.932 -14.744 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.037 -8.767 -15.736 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.689 -9.003 -16.343 1.00 0.00 C ATOM 1283 C ALA A 80 -0.764 -9.415 -17.822 1.00 0.00 C ATOM 1284 O ALA A 80 -1.669 -10.091 -18.240 1.00 0.00 O ATOM 1285 CB ALA A 80 -0.014 -10.140 -15.559 1.00 0.00 C ATOM 0 H ALA A 80 -2.581 -9.607 -15.540 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.129 -8.069 -16.292 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.973 -10.336 -15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.088 -9.850 -14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.623 -11.041 -15.628 1.00 0.00 H new ATOM 1291 N VAL A 81 0.210 -8.987 -18.581 1.00 0.00 N ATOM 1292 CA VAL A 81 0.238 -9.331 -20.031 1.00 0.00 C ATOM 1293 C VAL A 81 1.668 -9.639 -20.444 1.00 0.00 C ATOM 1294 O VAL A 81 2.563 -8.876 -20.173 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.275 -8.134 -20.841 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.790 -8.267 -21.040 1.00 0.00 C ATOM 1297 CG2 VAL A 81 0.024 -6.845 -20.077 1.00 0.00 C ATOM 0 H VAL A 81 0.989 -8.413 -18.258 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.393 -10.200 -20.217 1.00 0.00 H new ATOM 0 HB VAL A 81 0.220 -8.109 -21.812 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.157 -7.417 -21.616 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.007 -9.190 -21.577 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.284 -8.288 -20.069 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.339 -5.991 -20.649 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.475 -6.872 -19.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.100 -6.751 -19.928 1.00 0.00 H new ATOM 1307 N SER A 82 1.860 -10.734 -21.113 1.00 0.00 N ATOM 1308 CA SER A 82 3.241 -11.088 -21.538 1.00 0.00 C ATOM 1309 C SER A 82 3.842 -10.027 -22.444 1.00 0.00 C ATOM 1310 O SER A 82 3.211 -9.558 -23.368 1.00 0.00 O ATOM 1311 CB SER A 82 3.200 -12.420 -22.292 1.00 0.00 C ATOM 1312 OG SER A 82 2.271 -12.197 -23.343 1.00 0.00 O ATOM 0 H SER A 82 1.132 -11.395 -21.383 1.00 0.00 H new ATOM 0 HA SER A 82 3.863 -11.162 -20.646 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.183 -12.689 -22.679 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.879 -13.235 -21.643 1.00 0.00 H new ATOM 0 HG SER A 82 1.381 -12.497 -23.062 1.00 0.00 H new ATOM 1318 N SER A 83 5.061 -9.675 -22.156 1.00 0.00 N ATOM 1319 CA SER A 83 5.743 -8.651 -22.974 1.00 0.00 C ATOM 1320 C SER A 83 5.789 -9.069 -24.438 1.00 0.00 C ATOM 1321 O SER A 83 6.349 -8.376 -25.265 1.00 0.00 O ATOM 1322 CB SER A 83 7.183 -8.511 -22.457 1.00 0.00 C ATOM 1323 OG SER A 83 7.695 -9.838 -22.494 1.00 0.00 O ATOM 0 H SER A 83 5.612 -10.056 -21.387 1.00 0.00 H new ATOM 0 HA SER A 83 5.199 -7.709 -22.898 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.769 -7.840 -23.085 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.206 -8.103 -21.447 1.00 0.00 H new ATOM 0 HG SER A 83 7.491 -10.291 -21.649 1.00 0.00 H new ATOM 1329 N ASN A 84 5.191 -10.199 -24.736 1.00 0.00 N ATOM 1330 CA ASN A 84 5.192 -10.676 -26.143 1.00 0.00 C ATOM 1331 C ASN A 84 3.916 -10.254 -26.864 1.00 0.00 C ATOM 1332 O ASN A 84 3.885 -10.184 -28.076 1.00 0.00 O ATOM 1333 CB ASN A 84 5.296 -12.215 -26.142 1.00 0.00 C ATOM 1334 CG ASN A 84 4.004 -12.829 -25.596 1.00 0.00 C ATOM 1335 OD1 ASN A 84 2.917 -12.487 -26.008 1.00 0.00 O ATOM 1336 ND2 ASN A 84 4.082 -13.745 -24.672 1.00 0.00 N ATOM 0 H ASN A 84 4.709 -10.801 -24.069 1.00 0.00 H new ATOM 0 HA ASN A 84 6.040 -10.235 -26.666 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.480 -12.576 -27.154 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.143 -12.530 -25.533 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.232 -14.169 -24.301 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.993 -14.038 -24.320 1.00 0.00 H new ATOM 1343 N GLY A 85 2.882 -9.984 -26.099 1.00 0.00 N ATOM 1344 CA GLY A 85 1.584 -9.560 -26.719 1.00 0.00 C ATOM 1345 C GLY A 85 0.453 -10.526 -26.351 1.00 0.00 C ATOM 1346 O GLY A 85 -0.650 -10.395 -26.842 1.00 0.00 O ATOM 0 H GLY A 85 2.880 -10.038 -25.080 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.330 -8.554 -26.385 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.692 -9.518 -27.803 1.00 0.00 H new ATOM 1350 N GLU A 86 0.750 -11.471 -25.491 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.296 -12.450 -25.083 1.00 0.00 C ATOM 1352 C GLU A 86 -0.831 -12.113 -23.695 1.00 0.00 C ATOM 1353 O GLU A 86 -0.082 -11.772 -22.798 1.00 0.00 O ATOM 1354 CB GLU A 86 0.333 -13.857 -25.063 1.00 0.00 C ATOM 1355 CG GLU A 86 0.469 -14.364 -26.508 1.00 0.00 C ATOM 1356 CD GLU A 86 0.430 -15.892 -26.518 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -0.672 -16.404 -26.619 1.00 0.00 O ATOM 1358 OE2 GLU A 86 1.504 -16.462 -26.423 1.00 0.00 O ATOM 0 H GLU A 86 1.665 -11.603 -25.059 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.124 -12.412 -25.791 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.310 -13.826 -24.581 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.288 -14.539 -24.481 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.338 -13.965 -27.122 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.404 -14.011 -26.942 1.00 0.00 H new ATOM 1365 N ALA A 87 -2.124 -12.202 -23.546 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.735 -11.890 -22.232 1.00 0.00 C ATOM 1367 C ALA A 87 -2.419 -12.957 -21.182 1.00 0.00 C ATOM 1368 O ALA A 87 -2.706 -14.124 -21.367 1.00 0.00 O ATOM 1369 CB ALA A 87 -4.257 -11.822 -22.417 1.00 0.00 C ATOM 0 H ALA A 87 -2.779 -12.477 -24.278 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.326 -10.943 -21.880 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.730 -11.593 -21.462 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.501 -11.043 -23.139 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.622 -12.782 -22.782 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.828 -12.524 -20.098 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.473 -13.469 -19.003 1.00 0.00 C ATOM 1377 C VAL A 88 -1.876 -12.860 -17.677 1.00 0.00 C ATOM 1378 O VAL A 88 -1.280 -13.126 -16.654 1.00 0.00 O ATOM 1379 CB VAL A 88 0.058 -13.690 -18.997 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.561 -13.777 -20.432 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.752 -12.511 -18.292 1.00 0.00 C ATOM 0 H VAL A 88 -1.576 -11.551 -19.926 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.988 -14.417 -19.156 1.00 0.00 H new ATOM 0 HB VAL A 88 0.285 -14.615 -18.467 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.640 -13.933 -20.431 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.075 -14.611 -20.938 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.329 -12.850 -20.956 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.830 -12.672 -18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.524 -11.586 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.394 -12.440 -17.265 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.898 -12.053 -17.721 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.363 -11.404 -16.480 1.00 0.00 C ATOM 1393 C GLU A 89 -4.210 -12.316 -15.629 1.00 0.00 C ATOM 1394 O GLU A 89 -4.653 -13.363 -16.054 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.224 -10.181 -16.847 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.225 -10.571 -17.935 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.062 -9.345 -18.307 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.951 -9.039 -17.531 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.760 -8.780 -19.347 1.00 0.00 O ATOM 0 H GLU A 89 -3.425 -11.820 -18.562 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.475 -11.128 -15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.752 -9.817 -15.966 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.589 -9.367 -17.197 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.699 -10.948 -18.812 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.871 -11.374 -17.581 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.414 -11.875 -14.430 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.219 -12.640 -13.477 1.00 0.00 C ATOM 1408 C ASP A 90 -5.721 -11.682 -12.401 1.00 0.00 C ATOM 1409 O ASP A 90 -5.045 -10.732 -12.061 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.331 -13.713 -12.829 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.123 -14.863 -13.821 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.942 -15.769 -13.781 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.160 -14.770 -14.562 1.00 0.00 O ATOM 0 H ASP A 90 -4.045 -10.995 -14.069 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.061 -13.117 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.370 -13.284 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.796 -14.084 -11.916 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.892 -11.937 -11.883 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.449 -11.079 -10.856 1.00 0.00 C ATOM 1420 C PRO A 91 -6.477 -10.914 -9.683 1.00 0.00 C ATOM 1421 O PRO A 91 -6.509 -11.676 -8.735 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.749 -11.799 -10.402 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.883 -13.093 -11.263 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.709 -13.098 -12.257 1.00 0.00 C ATOM 0 HA PRO A 91 -7.642 -10.072 -11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.702 -12.046 -9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.616 -11.153 -10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.856 -13.981 -10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.836 -13.107 -11.792 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.136 -14.023 -12.187 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.062 -13.018 -13.285 1.00 0.00 H new ATOM 1432 N MET A 92 -5.613 -9.918 -9.782 1.00 0.00 N ATOM 1433 CA MET A 92 -4.632 -9.682 -8.690 1.00 0.00 C ATOM 1434 C MET A 92 -4.991 -8.411 -7.952 1.00 0.00 C ATOM 1435 O MET A 92 -4.837 -7.329 -8.479 1.00 0.00 O ATOM 1436 CB MET A 92 -3.236 -9.513 -9.309 1.00 0.00 C ATOM 1437 CG MET A 92 -2.740 -10.870 -9.815 1.00 0.00 C ATOM 1438 SD MET A 92 -1.870 -11.928 -8.633 1.00 0.00 S ATOM 1439 CE MET A 92 -1.976 -13.463 -9.584 1.00 0.00 C ATOM 0 H MET A 92 -5.555 -9.271 -10.569 1.00 0.00 H new ATOM 0 HA MET A 92 -4.644 -10.524 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.274 -8.797 -10.130 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.543 -9.112 -8.569 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.599 -11.423 -10.194 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.076 -10.693 -10.661 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.492 -14.268 -9.031 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.023 -13.716 -9.751 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.477 -13.331 -10.544 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.459 -8.554 -6.744 1.00 0.00 N ATOM 1450 CA GLU A 93 -5.828 -7.349 -5.978 1.00 0.00 C ATOM 1451 C GLU A 93 -4.636 -6.806 -5.193 1.00 0.00 C ATOM 1452 O GLU A 93 -3.953 -7.531 -4.498 1.00 0.00 O ATOM 1453 CB GLU A 93 -6.985 -7.703 -5.015 1.00 0.00 C ATOM 1454 CG GLU A 93 -6.470 -8.544 -3.845 1.00 0.00 C ATOM 1455 CD GLU A 93 -5.675 -9.739 -4.378 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -6.271 -10.491 -5.133 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -4.521 -9.836 -3.997 1.00 0.00 O ATOM 0 H GLU A 93 -5.598 -9.444 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.146 -6.572 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.445 -6.789 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.758 -8.252 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.839 -7.935 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.307 -8.893 -3.239 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.396 -5.534 -5.354 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.268 -4.888 -4.646 1.00 0.00 C ATOM 1466 C ILE A 94 -3.773 -4.136 -3.419 1.00 0.00 C ATOM 1467 O ILE A 94 -4.697 -3.344 -3.512 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.625 -3.891 -5.617 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.547 -4.590 -6.429 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -1.976 -2.745 -4.813 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.402 -3.885 -7.776 1.00 0.00 C ATOM 0 H ILE A 94 -4.941 -4.913 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.551 -5.641 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.390 -3.495 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.599 -4.572 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.808 -5.638 -6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.517 -2.033 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.738 -2.239 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.213 -3.153 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.630 -4.381 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.350 -3.926 -8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.122 -2.844 -7.614 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.153 -4.389 -2.289 1.00 0.00 N ATOM 1484 CA VAL A 95 -3.585 -3.699 -1.047 1.00 0.00 C ATOM 1485 C VAL A 95 -2.671 -2.526 -0.733 1.00 0.00 C ATOM 1486 O VAL A 95 -1.465 -2.669 -0.705 1.00 0.00 O ATOM 1487 CB VAL A 95 -3.504 -4.701 0.114 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -3.471 -3.932 1.437 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -4.735 -5.608 0.089 1.00 0.00 C ATOM 0 H VAL A 95 -2.374 -5.039 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.601 -3.328 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.603 -5.306 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.414 -4.637 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.599 -3.278 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.377 -3.333 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.679 -6.320 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.635 -5.002 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.769 -6.149 -0.857 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.268 -1.378 -0.510 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.459 -0.172 -0.194 1.00 0.00 C ATOM 1501 C ILE A 96 -3.039 0.558 1.011 1.00 0.00 C ATOM 1502 O ILE A 96 -4.170 0.991 0.988 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.492 0.758 -1.402 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.286 -0.050 -2.674 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.345 1.770 -1.270 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.452 0.868 -3.887 1.00 0.00 C ATOM 0 H ILE A 96 -4.277 -1.231 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.437 -0.472 0.037 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.453 1.270 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.293 -0.499 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.006 -0.867 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.354 2.444 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.472 2.346 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.394 1.239 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.305 0.293 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.454 1.296 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.715 1.670 -3.840 1.00 0.00 H new ATOM 1518 N THR A 97 -2.253 0.679 2.048 1.00 0.00 N ATOM 1519 CA THR A 97 -2.752 1.378 3.258 1.00 0.00 C ATOM 1520 C THR A 97 -2.444 2.871 3.197 1.00 0.00 C ATOM 1521 O THR A 97 -1.458 3.280 2.612 1.00 0.00 O ATOM 1522 CB THR A 97 -2.062 0.776 4.488 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.582 1.488 5.591 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.561 1.101 4.494 1.00 0.00 C ATOM 0 H THR A 97 -1.298 0.327 2.106 1.00 0.00 H new ATOM 0 HA THR A 97 -3.833 1.252 3.316 1.00 0.00 H new ATOM 0 HB THR A 97 -2.217 -0.303 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.180 1.149 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.097 0.662 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.096 0.690 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.423 2.182 4.511 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.307 3.654 3.806 1.00 0.00 N ATOM 1533 CA VAL A 98 -3.103 5.130 3.808 1.00 0.00 C ATOM 1534 C VAL A 98 -2.718 5.619 5.199 1.00 0.00 C ATOM 1535 O VAL A 98 -3.100 5.030 6.192 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.426 5.800 3.406 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -4.220 7.314 3.330 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.860 5.284 2.035 1.00 0.00 C ATOM 0 H VAL A 98 -4.139 3.330 4.299 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.303 5.381 3.111 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.193 5.567 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.156 7.795 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.902 7.687 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.455 7.540 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.799 5.758 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.093 5.521 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.998 4.204 2.080 1.00 0.00 H new ATOM 1548 N THR A 99 -1.960 6.691 5.240 1.00 0.00 N ATOM 1549 CA THR A 99 -1.531 7.248 6.552 1.00 0.00 C ATOM 1550 C THR A 99 -1.802 8.745 6.615 1.00 0.00 C ATOM 1551 O THR A 99 -1.327 9.502 5.791 1.00 0.00 O ATOM 1552 CB THR A 99 -0.025 7.012 6.706 1.00 0.00 C ATOM 1553 OG1 THR A 99 0.495 7.058 5.393 1.00 0.00 O ATOM 1554 CG2 THR A 99 0.258 5.580 7.183 1.00 0.00 C ATOM 0 H THR A 99 -1.624 7.199 4.422 1.00 0.00 H new ATOM 0 HA THR A 99 -2.088 6.757 7.350 1.00 0.00 H new ATOM 0 HB THR A 99 0.393 7.737 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.464 6.915 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.334 5.436 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.223 5.416 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.136 4.870 6.456 1.00 0.00 H new