USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 93 LYS NZ :NH3+ 168:sc= 1.49 (180deg=0.311) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0.185 USER MOD Set 1.3: A 110 SER OG : rot 160:sc= 1.26 USER MOD Set 2.1: A 20 CYS SG : rot 180:sc= -0.154 USER MOD Set 2.2: A 44 ASN : amide:sc= -2.58! C(o=-2.3!,f=-8.4!) USER MOD Set 2.3: A 55 SER OG : rot -118:sc= 0.474 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0222 (180deg=-0.23) USER MOD Single : A 2 SER OG : rot 48:sc= 0.0444 USER MOD Single : A 3 GLN : amide:sc= -0.014 K(o=-0.014,f=-3.5!) USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= -1.36 (180deg=-4.44!) USER MOD Single : A 8 CYS SG : rot 159:sc= 1.26 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -118:sc= -3.38! USER MOD Single : A 27 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 38 GLN : amide:sc= 0.234 X(o=0.23,f=-0.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -0.0353 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.233 K(o=-0.23,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 70 SER OG : rot -130:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.08! C(o=-1.1!,f=-2.9!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 116:sc= 0.832 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.61) USER MOD Single : A 91 SER OG : rot 130:sc= -1.1 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= -0.122 (180deg=-0.425) USER MOD Single : A 105 GLN : amide:sc= 0.944 K(o=0.94,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.524 9.546 10.036 1.00 0.00 N ATOM 2 CA MET A 1 -15.599 8.576 10.336 1.00 0.00 C ATOM 3 C MET A 1 -15.327 7.256 9.623 1.00 0.00 C ATOM 4 O MET A 1 -14.575 6.411 10.115 1.00 0.00 O ATOM 5 CB MET A 1 -16.963 9.123 9.893 1.00 0.00 C ATOM 6 CG MET A 1 -17.301 10.487 10.468 1.00 0.00 C ATOM 7 SD MET A 1 -17.391 10.480 12.266 1.00 0.00 S ATOM 8 CE MET A 1 -17.783 12.199 12.576 1.00 0.00 C ATOM 0 H1 MET A 1 -14.614 10.369 10.665 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.599 9.096 10.185 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.602 9.856 9.046 1.00 0.00 H new ATOM 0 HA MET A 1 -15.618 8.411 11.413 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.982 9.185 8.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.739 8.415 10.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.548 11.208 10.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.256 10.822 10.062 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.874 12.364 13.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.989 12.831 12.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.725 12.451 12.090 1.00 0.00 H new ATOM 17 N SER A 2 -15.916 7.100 8.443 1.00 0.00 N ATOM 18 CA SER A 2 -15.759 5.890 7.660 1.00 0.00 C ATOM 19 C SER A 2 -16.259 6.091 6.237 1.00 0.00 C ATOM 20 O SER A 2 -17.464 6.106 5.985 1.00 0.00 O ATOM 21 CB SER A 2 -16.501 4.726 8.327 1.00 0.00 C ATOM 22 OG SER A 2 -17.780 5.131 8.789 1.00 0.00 O ATOM 0 H SER A 2 -16.511 7.806 8.009 1.00 0.00 H new ATOM 0 HA SER A 2 -14.697 5.651 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.611 3.906 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.913 4.347 9.163 1.00 0.00 H new ATOM 0 HG SER A 2 -18.241 5.628 8.081 1.00 0.00 H new ATOM 28 N GLN A 3 -15.334 6.287 5.316 1.00 0.00 N ATOM 29 CA GLN A 3 -15.672 6.334 3.908 1.00 0.00 C ATOM 30 C GLN A 3 -14.930 5.230 3.164 1.00 0.00 C ATOM 31 O GLN A 3 -13.789 5.396 2.740 1.00 0.00 O ATOM 32 CB GLN A 3 -15.382 7.718 3.291 1.00 0.00 C ATOM 33 CG GLN A 3 -13.933 8.189 3.373 1.00 0.00 C ATOM 34 CD GLN A 3 -13.502 8.582 4.772 1.00 0.00 C ATOM 35 OE1 GLN A 3 -12.993 7.759 5.537 1.00 0.00 O ATOM 36 NE2 GLN A 3 -13.718 9.840 5.117 1.00 0.00 N ATOM 0 H GLN A 3 -14.343 6.416 5.519 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.745 6.168 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.679 7.697 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.013 8.456 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.280 7.395 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.798 9.041 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.142 10.486 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.461 10.165 6.049 1.00 0.00 H new ATOM 45 N TRP A 4 -15.570 4.078 3.061 1.00 0.00 N ATOM 46 CA TRP A 4 -14.978 2.943 2.375 1.00 0.00 C ATOM 47 C TRP A 4 -15.154 3.094 0.875 1.00 0.00 C ATOM 48 O TRP A 4 -16.183 2.717 0.314 1.00 0.00 O ATOM 49 CB TRP A 4 -15.603 1.629 2.844 1.00 0.00 C ATOM 50 CG TRP A 4 -15.299 1.289 4.269 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.075 1.555 5.360 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.132 0.620 4.759 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.462 1.089 6.498 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.270 0.509 6.155 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.984 0.100 4.153 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.304 -0.099 6.955 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.025 -0.502 4.948 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.191 -0.598 6.335 1.00 0.00 C ATOM 0 H TRP A 4 -16.499 3.904 3.444 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.915 2.919 2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.684 1.686 2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.249 0.821 2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -17.030 2.058 5.333 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.834 1.163 7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.848 0.167 3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.429 -0.174 8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.133 -0.905 4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.425 -1.076 6.928 1.00 0.00 H new ATOM 69 N LYS A 5 -14.159 3.680 0.235 1.00 0.00 N ATOM 70 CA LYS A 5 -14.218 3.931 -1.190 1.00 0.00 C ATOM 71 C LYS A 5 -13.962 2.645 -1.967 1.00 0.00 C ATOM 72 O LYS A 5 -12.893 2.045 -1.851 1.00 0.00 O ATOM 73 CB LYS A 5 -13.192 5.001 -1.575 1.00 0.00 C ATOM 74 CG LYS A 5 -13.251 5.427 -3.035 1.00 0.00 C ATOM 75 CD LYS A 5 -13.901 6.799 -3.217 1.00 0.00 C ATOM 76 CE LYS A 5 -15.427 6.745 -3.219 1.00 0.00 C ATOM 77 NZ LYS A 5 -16.004 6.529 -1.863 1.00 0.00 N ATOM 0 H LYS A 5 -13.297 3.992 0.683 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.215 4.292 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.345 5.878 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.192 4.624 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.241 5.449 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.810 4.685 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.568 7.461 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.558 7.235 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.817 7.676 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.756 5.943 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.460 5.595 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.246 6.574 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.710 7.267 -1.664 1.00 0.00 H new ATOM 91 N ASP A 6 -14.964 2.211 -2.720 1.00 0.00 N ATOM 92 CA ASP A 6 -14.819 1.068 -3.611 1.00 0.00 C ATOM 93 C ASP A 6 -13.766 1.375 -4.672 1.00 0.00 C ATOM 94 O ASP A 6 -13.964 2.249 -5.519 1.00 0.00 O ATOM 95 CB ASP A 6 -16.149 0.745 -4.303 1.00 0.00 C ATOM 96 CG ASP A 6 -17.298 0.534 -3.337 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.440 -0.581 -2.794 1.00 0.00 O ATOM 98 OD2 ASP A 6 -18.081 1.482 -3.128 1.00 0.00 O ATOM 0 H ASP A 6 -15.891 2.636 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.512 0.207 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.402 1.558 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.025 -0.152 -4.910 1.00 0.00 H new ATOM 103 N ILE A 7 -12.644 0.676 -4.612 1.00 0.00 N ATOM 104 CA ILE A 7 -11.555 0.899 -5.555 1.00 0.00 C ATOM 105 C ILE A 7 -11.760 0.051 -6.801 1.00 0.00 C ATOM 106 O ILE A 7 -12.065 0.564 -7.879 1.00 0.00 O ATOM 107 CB ILE A 7 -10.189 0.548 -4.929 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.011 1.266 -3.586 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.057 0.906 -5.885 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.088 2.772 -3.681 1.00 0.00 C ATOM 0 H ILE A 7 -12.462 -0.051 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.559 1.957 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.158 -0.526 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.777 0.916 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.046 0.988 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.101 0.652 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.175 0.348 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.085 1.975 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.953 3.206 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.305 3.135 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.062 3.062 -4.075 1.00 0.00 H new ATOM 122 N CYS A 8 -11.597 -1.246 -6.631 1.00 0.00 N ATOM 123 CA CYS A 8 -11.797 -2.209 -7.698 1.00 0.00 C ATOM 124 C CYS A 8 -12.089 -3.564 -7.075 1.00 0.00 C ATOM 125 O CYS A 8 -12.087 -3.690 -5.854 1.00 0.00 O ATOM 126 CB CYS A 8 -10.561 -2.277 -8.600 1.00 0.00 C ATOM 127 SG CYS A 8 -9.016 -2.621 -7.726 1.00 0.00 S ATOM 0 H CYS A 8 -11.320 -1.665 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.639 -1.904 -8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.718 -3.049 -9.353 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.461 -1.330 -9.131 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.141 -3.097 -8.562 1.00 0.00 H new ATOM 133 N LYS A 9 -12.345 -4.576 -7.885 1.00 0.00 N ATOM 134 CA LYS A 9 -12.645 -5.888 -7.340 1.00 0.00 C ATOM 135 C LYS A 9 -11.372 -6.691 -7.114 1.00 0.00 C ATOM 136 O LYS A 9 -10.325 -6.388 -7.684 1.00 0.00 O ATOM 137 CB LYS A 9 -13.613 -6.654 -8.244 1.00 0.00 C ATOM 138 CG LYS A 9 -14.990 -6.010 -8.309 1.00 0.00 C ATOM 139 CD LYS A 9 -16.024 -6.923 -8.947 1.00 0.00 C ATOM 140 CE LYS A 9 -16.241 -8.185 -8.123 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.370 -9.000 -8.642 1.00 0.00 N ATOM 0 H LYS A 9 -12.352 -4.518 -8.903 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.129 -5.741 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.196 -6.712 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.712 -7.677 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.313 -5.746 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.928 -5.082 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.968 -6.388 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.700 -7.195 -9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.330 -8.783 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.437 -7.912 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.484 -9.850 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.245 -8.439 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.172 -9.283 -9.623 1.00 0.00 H new ATOM 155 N ILE A 10 -11.475 -7.718 -6.278 1.00 0.00 N ATOM 156 CA ILE A 10 -10.333 -8.569 -5.943 1.00 0.00 C ATOM 157 C ILE A 10 -9.877 -9.372 -7.168 1.00 0.00 C ATOM 158 O ILE A 10 -8.817 -9.997 -7.168 1.00 0.00 O ATOM 159 CB ILE A 10 -10.683 -9.522 -4.772 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.422 -10.170 -4.197 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.672 -10.592 -5.211 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.466 -9.178 -3.571 1.00 0.00 C ATOM 0 H ILE A 10 -12.344 -7.985 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.512 -7.925 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.151 -8.923 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.711 -10.907 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.905 -10.709 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.899 -11.246 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.590 -10.118 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.237 -11.180 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.595 -9.707 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.148 -8.455 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.966 -8.656 -2.755 1.00 0.00 H new ATOM 174 N ASP A 11 -10.696 -9.333 -8.211 1.00 0.00 N ATOM 175 CA ASP A 11 -10.364 -9.946 -9.491 1.00 0.00 C ATOM 176 C ASP A 11 -9.304 -9.115 -10.212 1.00 0.00 C ATOM 177 O ASP A 11 -8.579 -9.614 -11.072 1.00 0.00 O ATOM 178 CB ASP A 11 -11.632 -10.059 -10.347 1.00 0.00 C ATOM 179 CG ASP A 11 -11.369 -10.585 -11.745 1.00 0.00 C ATOM 180 OD1 ASP A 11 -11.301 -11.820 -11.920 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.266 -9.763 -12.682 1.00 0.00 O ATOM 0 H ASP A 11 -11.608 -8.876 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.960 -10.944 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.342 -10.717 -9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.102 -9.078 -10.418 1.00 0.00 H new ATOM 186 N ASP A 12 -9.211 -7.844 -9.835 1.00 0.00 N ATOM 187 CA ASP A 12 -8.249 -6.927 -10.437 1.00 0.00 C ATOM 188 C ASP A 12 -6.895 -7.032 -9.750 1.00 0.00 C ATOM 189 O ASP A 12 -5.854 -7.101 -10.407 1.00 0.00 O ATOM 190 CB ASP A 12 -8.771 -5.488 -10.361 1.00 0.00 C ATOM 191 CG ASP A 12 -7.767 -4.466 -10.859 1.00 0.00 C ATOM 192 OD1 ASP A 12 -7.338 -4.565 -12.030 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.410 -3.552 -10.087 1.00 0.00 O ATOM 0 H ASP A 12 -9.794 -7.423 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.123 -7.204 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.685 -5.408 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.035 -5.257 -9.329 1.00 0.00 H new ATOM 198 N ILE A 13 -6.918 -7.062 -8.432 1.00 0.00 N ATOM 199 CA ILE A 13 -5.691 -7.132 -7.650 1.00 0.00 C ATOM 200 C ILE A 13 -5.360 -8.578 -7.293 1.00 0.00 C ATOM 201 O ILE A 13 -5.947 -9.154 -6.379 1.00 0.00 O ATOM 202 CB ILE A 13 -5.787 -6.301 -6.353 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.274 -4.882 -6.655 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.432 -6.255 -5.660 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.462 -4.028 -5.417 1.00 0.00 C ATOM 0 H ILE A 13 -7.773 -7.039 -7.876 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.898 -6.715 -8.270 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.509 -6.778 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.558 -4.395 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.220 -4.939 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.511 -5.666 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.115 -7.268 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.699 -5.797 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.808 -3.036 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.200 -4.493 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.513 -3.940 -4.888 1.00 0.00 H new ATOM 217 N LEU A 14 -4.422 -9.157 -8.027 1.00 0.00 N ATOM 218 CA LEU A 14 -3.998 -10.534 -7.802 1.00 0.00 C ATOM 219 C LEU A 14 -2.910 -10.598 -6.718 1.00 0.00 C ATOM 220 O LEU A 14 -2.442 -9.558 -6.255 1.00 0.00 O ATOM 221 CB LEU A 14 -3.504 -11.166 -9.120 1.00 0.00 C ATOM 222 CG LEU A 14 -2.428 -10.396 -9.897 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.701 -11.331 -10.849 1.00 0.00 C ATOM 224 CD2 LEU A 14 -3.038 -9.244 -10.684 1.00 0.00 C ATOM 0 H LEU A 14 -3.934 -8.690 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.855 -11.107 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.115 -12.159 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.365 -11.301 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.721 -9.987 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.940 -10.774 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.227 -12.132 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.414 -11.758 -11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.252 -8.716 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.768 -9.634 -11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.531 -8.556 -9.998 1.00 0.00 H new ATOM 236 N PRO A 15 -2.519 -11.813 -6.264 1.00 0.00 N ATOM 237 CA PRO A 15 -1.447 -11.982 -5.268 1.00 0.00 C ATOM 238 C PRO A 15 -0.155 -11.275 -5.675 1.00 0.00 C ATOM 239 O PRO A 15 0.242 -11.317 -6.842 1.00 0.00 O ATOM 240 CB PRO A 15 -1.233 -13.495 -5.218 1.00 0.00 C ATOM 241 CG PRO A 15 -2.537 -14.071 -5.650 1.00 0.00 C ATOM 242 CD PRO A 15 -3.097 -13.113 -6.663 1.00 0.00 C ATOM 0 HA PRO A 15 -1.719 -11.546 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.424 -13.803 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.966 -13.825 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.402 -15.062 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.214 -14.183 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.807 -13.387 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.187 -13.093 -6.637 1.00 0.00 H new ATOM 250 N GLU A 16 0.485 -10.631 -4.699 1.00 0.00 N ATOM 251 CA GLU A 16 1.680 -9.817 -4.925 1.00 0.00 C ATOM 252 C GLU A 16 1.452 -8.816 -6.044 1.00 0.00 C ATOM 253 O GLU A 16 2.108 -8.857 -7.084 1.00 0.00 O ATOM 254 CB GLU A 16 2.912 -10.674 -5.215 1.00 0.00 C ATOM 255 CG GLU A 16 3.381 -11.486 -4.021 1.00 0.00 C ATOM 256 CD GLU A 16 4.790 -12.006 -4.201 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.278 -12.036 -5.352 1.00 0.00 O ATOM 258 OE2 GLU A 16 5.425 -12.378 -3.194 1.00 0.00 O ATOM 0 H GLU A 16 0.188 -10.659 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 16 1.872 -9.270 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.688 -11.351 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.725 -10.027 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.335 -10.869 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.703 -12.325 -3.866 1.00 0.00 H new ATOM 265 N THR A 17 0.500 -7.928 -5.824 1.00 0.00 N ATOM 266 CA THR A 17 0.159 -6.916 -6.805 1.00 0.00 C ATOM 267 C THR A 17 -0.233 -5.619 -6.106 1.00 0.00 C ATOM 268 O THR A 17 -0.956 -5.638 -5.106 1.00 0.00 O ATOM 269 CB THR A 17 -0.996 -7.400 -7.706 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.689 -8.698 -8.224 1.00 0.00 O ATOM 271 CG2 THR A 17 -1.242 -6.453 -8.869 1.00 0.00 C ATOM 0 H THR A 17 -0.054 -7.888 -4.968 1.00 0.00 H new ATOM 0 HA THR A 17 1.033 -6.733 -7.430 1.00 0.00 H new ATOM 0 HB THR A 17 -1.898 -7.433 -7.095 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.638 -8.656 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.063 -6.831 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.499 -5.465 -8.486 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.341 -6.383 -9.478 1.00 0.00 H new ATOM 279 N GLY A 18 0.267 -4.501 -6.615 1.00 0.00 N ATOM 280 CA GLY A 18 -0.047 -3.218 -6.029 1.00 0.00 C ATOM 281 C GLY A 18 -0.624 -2.263 -7.047 1.00 0.00 C ATOM 282 O GLY A 18 -0.091 -2.130 -8.147 1.00 0.00 O ATOM 0 H GLY A 18 0.886 -4.462 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.758 -3.355 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.855 -2.786 -5.595 1.00 0.00 H new ATOM 286 N VAL A 19 -1.712 -1.606 -6.689 1.00 0.00 N ATOM 287 CA VAL A 19 -2.376 -0.684 -7.597 1.00 0.00 C ATOM 288 C VAL A 19 -2.368 0.729 -7.032 1.00 0.00 C ATOM 289 O VAL A 19 -2.010 0.944 -5.870 1.00 0.00 O ATOM 290 CB VAL A 19 -3.835 -1.105 -7.885 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.881 -2.474 -8.546 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.665 -1.093 -6.606 1.00 0.00 C ATOM 0 H VAL A 19 -2.156 -1.693 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.818 -0.710 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.267 -0.380 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.918 -2.750 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.332 -2.442 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.426 -3.212 -7.886 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.688 -1.393 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.234 -1.789 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.667 -0.089 -6.183 1.00 0.00 H new ATOM 302 N CYS A 20 -2.753 1.686 -7.859 1.00 0.00 N ATOM 303 CA CYS A 20 -2.855 3.071 -7.434 1.00 0.00 C ATOM 304 C CYS A 20 -4.321 3.441 -7.239 1.00 0.00 C ATOM 305 O CYS A 20 -5.157 3.193 -8.112 1.00 0.00 O ATOM 306 CB CYS A 20 -2.202 3.993 -8.470 1.00 0.00 C ATOM 307 SG CYS A 20 -2.166 5.739 -7.999 1.00 0.00 S ATOM 0 H CYS A 20 -3.002 1.527 -8.835 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.330 3.194 -6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.181 3.656 -8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.737 3.895 -9.414 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.593 6.430 -8.939 1.00 0.00 H new ATOM 313 N ALA A 21 -4.635 4.007 -6.085 1.00 0.00 N ATOM 314 CA ALA A 21 -5.998 4.394 -5.773 1.00 0.00 C ATOM 315 C ALA A 21 -6.057 5.849 -5.333 1.00 0.00 C ATOM 316 O ALA A 21 -5.148 6.345 -4.667 1.00 0.00 O ATOM 317 CB ALA A 21 -6.571 3.488 -4.693 1.00 0.00 C ATOM 0 H ALA A 21 -3.960 4.209 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.601 4.285 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.594 3.790 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.566 2.456 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.964 3.568 -3.791 1.00 0.00 H new ATOM 323 N LEU A 22 -7.123 6.531 -5.715 1.00 0.00 N ATOM 324 CA LEU A 22 -7.301 7.922 -5.343 1.00 0.00 C ATOM 325 C LEU A 22 -8.375 8.054 -4.272 1.00 0.00 C ATOM 326 O LEU A 22 -9.563 7.868 -4.540 1.00 0.00 O ATOM 327 CB LEU A 22 -7.668 8.765 -6.568 1.00 0.00 C ATOM 328 CG LEU A 22 -6.609 8.805 -7.675 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.082 9.663 -8.838 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.287 9.326 -7.130 1.00 0.00 C ATOM 0 H LEU A 22 -7.877 6.144 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.358 8.291 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.596 8.379 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.866 9.785 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.455 7.789 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.316 9.679 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.003 9.247 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.266 10.679 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.547 9.348 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.427 10.333 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.939 8.671 -6.331 1.00 0.00 H new ATOM 342 N LEU A 23 -7.947 8.357 -3.058 1.00 0.00 N ATOM 343 CA LEU A 23 -8.867 8.569 -1.954 1.00 0.00 C ATOM 344 C LEU A 23 -9.176 10.054 -1.840 1.00 0.00 C ATOM 345 O LEU A 23 -8.443 10.805 -1.193 1.00 0.00 O ATOM 346 CB LEU A 23 -8.265 8.047 -0.647 1.00 0.00 C ATOM 347 CG LEU A 23 -9.193 8.093 0.567 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.349 7.118 0.398 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.416 7.788 1.835 1.00 0.00 C ATOM 0 H LEU A 23 -6.963 8.462 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.790 8.021 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.946 7.016 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.370 8.628 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.607 9.098 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.997 7.167 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.920 7.382 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.959 6.106 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.089 7.824 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.975 6.794 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.625 8.527 1.964 1.00 0.00 H new ATOM 361 N GLY A 24 -10.239 10.480 -2.508 1.00 0.00 N ATOM 362 CA GLY A 24 -10.561 11.891 -2.566 1.00 0.00 C ATOM 363 C GLY A 24 -9.583 12.637 -3.451 1.00 0.00 C ATOM 364 O GLY A 24 -9.794 12.758 -4.659 1.00 0.00 O ATOM 0 H GLY A 24 -10.885 9.872 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.574 12.021 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.542 12.313 -1.561 1.00 0.00 H new ATOM 368 N ASP A 25 -8.505 13.126 -2.852 1.00 0.00 N ATOM 369 CA ASP A 25 -7.440 13.784 -3.599 1.00 0.00 C ATOM 370 C ASP A 25 -6.087 13.186 -3.214 1.00 0.00 C ATOM 371 O ASP A 25 -5.041 13.591 -3.724 1.00 0.00 O ATOM 372 CB ASP A 25 -7.445 15.296 -3.339 1.00 0.00 C ATOM 373 CG ASP A 25 -6.931 15.662 -1.959 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.696 15.545 -0.973 1.00 0.00 O ATOM 375 OD2 ASP A 25 -5.764 16.082 -1.852 1.00 0.00 O ATOM 0 H ASP A 25 -8.344 13.079 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.612 13.621 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.832 15.791 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.460 15.676 -3.455 1.00 0.00 H new ATOM 380 N GLU A 26 -6.121 12.208 -2.319 1.00 0.00 N ATOM 381 CA GLU A 26 -4.909 11.582 -1.811 1.00 0.00 C ATOM 382 C GLU A 26 -4.587 10.311 -2.585 1.00 0.00 C ATOM 383 O GLU A 26 -5.442 9.440 -2.744 1.00 0.00 O ATOM 384 CB GLU A 26 -5.078 11.248 -0.328 1.00 0.00 C ATOM 385 CG GLU A 26 -5.056 12.467 0.576 1.00 0.00 C ATOM 386 CD GLU A 26 -3.659 13.016 0.769 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.200 13.807 -0.083 1.00 0.00 O ATOM 388 OE2 GLU A 26 -3.011 12.648 1.771 1.00 0.00 O ATOM 0 H GLU A 26 -6.983 11.829 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.085 12.284 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.021 10.720 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.283 10.567 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.693 13.243 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.478 12.204 1.546 1.00 0.00 H new ATOM 395 N GLN A 27 -3.361 10.207 -3.074 1.00 0.00 N ATOM 396 CA GLN A 27 -2.916 8.991 -3.734 1.00 0.00 C ATOM 397 C GLN A 27 -2.580 7.931 -2.692 1.00 0.00 C ATOM 398 O GLN A 27 -1.760 8.160 -1.800 1.00 0.00 O ATOM 399 CB GLN A 27 -1.695 9.259 -4.618 1.00 0.00 C ATOM 400 CG GLN A 27 -1.956 10.237 -5.752 1.00 0.00 C ATOM 401 CD GLN A 27 -0.801 10.311 -6.734 1.00 0.00 C ATOM 402 OE1 GLN A 27 0.353 10.104 -6.372 1.00 0.00 O ATOM 403 NE2 GLN A 27 -1.105 10.609 -7.987 1.00 0.00 N ATOM 0 H GLN A 27 -2.660 10.946 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.725 8.632 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.887 9.646 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.349 8.315 -5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.861 9.940 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.140 11.228 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.076 10.775 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.368 10.673 -8.689 1.00 0.00 H new ATOM 412 N VAL A 28 -3.227 6.783 -2.798 1.00 0.00 N ATOM 413 CA VAL A 28 -2.987 5.679 -1.880 1.00 0.00 C ATOM 414 C VAL A 28 -2.573 4.434 -2.657 1.00 0.00 C ATOM 415 O VAL A 28 -3.129 4.141 -3.715 1.00 0.00 O ATOM 416 CB VAL A 28 -4.240 5.360 -1.033 1.00 0.00 C ATOM 417 CG1 VAL A 28 -3.943 4.269 -0.012 1.00 0.00 C ATOM 418 CG2 VAL A 28 -4.757 6.610 -0.338 1.00 0.00 C ATOM 0 H VAL A 28 -3.927 6.589 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.185 5.980 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.015 4.996 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.840 4.063 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.630 3.362 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.146 4.601 0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.639 6.360 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.983 7.008 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.020 7.359 -1.085 1.00 0.00 H new ATOM 428 N ALA A 29 -1.588 3.719 -2.140 1.00 0.00 N ATOM 429 CA ALA A 29 -1.109 2.508 -2.776 1.00 0.00 C ATOM 430 C ALA A 29 -1.674 1.283 -2.078 1.00 0.00 C ATOM 431 O ALA A 29 -1.438 1.071 -0.887 1.00 0.00 O ATOM 432 CB ALA A 29 0.408 2.472 -2.764 1.00 0.00 C ATOM 0 H ALA A 29 -1.103 3.960 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.449 2.502 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.754 1.557 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.797 3.335 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.764 2.498 -1.734 1.00 0.00 H new ATOM 438 N ILE A 30 -2.429 0.488 -2.817 1.00 0.00 N ATOM 439 CA ILE A 30 -3.010 -0.727 -2.273 1.00 0.00 C ATOM 440 C ILE A 30 -2.225 -1.937 -2.749 1.00 0.00 C ATOM 441 O ILE A 30 -2.194 -2.241 -3.944 1.00 0.00 O ATOM 442 CB ILE A 30 -4.492 -0.887 -2.672 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.301 0.334 -2.224 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.071 -2.160 -2.064 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.761 0.271 -2.614 1.00 0.00 C ATOM 0 H ILE A 30 -2.654 0.663 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.960 -0.654 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.552 -0.963 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.227 0.431 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.857 1.231 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.117 -2.259 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.511 -3.023 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.999 -2.110 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.270 1.169 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.845 0.206 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.221 -0.607 -2.161 1.00 0.00 H new ATOM 457 N PHE A 31 -1.584 -2.613 -1.814 1.00 0.00 N ATOM 458 CA PHE A 31 -0.792 -3.787 -2.130 1.00 0.00 C ATOM 459 C PHE A 31 -1.437 -5.034 -1.552 1.00 0.00 C ATOM 460 O PHE A 31 -1.812 -5.063 -0.378 1.00 0.00 O ATOM 461 CB PHE A 31 0.631 -3.655 -1.575 1.00 0.00 C ATOM 462 CG PHE A 31 1.417 -2.513 -2.153 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.981 -2.611 -3.415 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.602 -1.348 -1.429 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.710 -1.565 -3.946 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.331 -0.299 -1.954 1.00 0.00 C ATOM 467 CZ PHE A 31 2.885 -0.407 -3.215 1.00 0.00 C ATOM 0 H PHE A 31 -1.597 -2.367 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.744 -3.870 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.576 -3.532 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.170 -4.584 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.849 -3.516 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.172 -1.258 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.143 -1.653 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.468 0.605 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.454 0.413 -3.628 1.00 0.00 H new ATOM 477 N ARG A 32 -1.580 -6.051 -2.380 1.00 0.00 N ATOM 478 CA ARG A 32 -2.001 -7.356 -1.907 1.00 0.00 C ATOM 479 C ARG A 32 -0.775 -8.255 -1.820 1.00 0.00 C ATOM 480 O ARG A 32 -0.296 -8.757 -2.835 1.00 0.00 O ATOM 481 CB ARG A 32 -3.045 -7.954 -2.858 1.00 0.00 C ATOM 482 CG ARG A 32 -3.521 -9.348 -2.479 1.00 0.00 C ATOM 483 CD ARG A 32 -4.528 -9.878 -3.490 1.00 0.00 C ATOM 484 NE ARG A 32 -4.925 -11.259 -3.207 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.731 -11.984 -3.985 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.260 -11.461 -5.085 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.014 -13.240 -3.656 1.00 0.00 N ATOM 0 H ARG A 32 -1.411 -5.999 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.460 -7.267 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.907 -7.288 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.624 -7.989 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.668 -10.024 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.974 -9.324 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.412 -9.240 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.098 -9.823 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.562 -11.695 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.051 -10.496 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.875 -12.024 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.615 -13.648 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.630 -13.796 -4.249 1.00 0.00 H new ATOM 501 N PRO A 33 -0.222 -8.430 -0.613 1.00 0.00 N ATOM 502 CA PRO A 33 0.973 -9.232 -0.398 1.00 0.00 C ATOM 503 C PRO A 33 0.658 -10.665 0.011 1.00 0.00 C ATOM 504 O PRO A 33 1.555 -11.488 0.182 1.00 0.00 O ATOM 505 CB PRO A 33 1.643 -8.484 0.745 1.00 0.00 C ATOM 506 CG PRO A 33 0.508 -7.963 1.569 1.00 0.00 C ATOM 507 CD PRO A 33 -0.681 -7.813 0.643 1.00 0.00 C ATOM 0 HA PRO A 33 1.579 -9.337 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.286 -9.143 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.270 -7.673 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.277 -8.649 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.768 -7.006 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.563 -8.317 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.949 -6.766 0.501 1.00 0.00 H new ATOM 515 N TYR A 34 -0.621 -10.950 0.180 1.00 0.00 N ATOM 516 CA TYR A 34 -1.057 -12.281 0.545 1.00 0.00 C ATOM 517 C TYR A 34 -1.716 -12.967 -0.635 1.00 0.00 C ATOM 518 O TYR A 34 -2.247 -12.313 -1.535 1.00 0.00 O ATOM 519 CB TYR A 34 -2.034 -12.237 1.721 1.00 0.00 C ATOM 520 CG TYR A 34 -1.377 -12.039 3.069 1.00 0.00 C ATOM 521 CD1 TYR A 34 -0.811 -13.111 3.746 1.00 0.00 C ATOM 522 CD2 TYR A 34 -1.332 -10.788 3.670 1.00 0.00 C ATOM 523 CE1 TYR A 34 -0.222 -12.944 4.984 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.743 -10.611 4.907 1.00 0.00 C ATOM 525 CZ TYR A 34 -0.188 -11.692 5.560 1.00 0.00 C ATOM 526 OH TYR A 34 0.397 -11.523 6.793 1.00 0.00 O ATOM 0 H TYR A 34 -1.376 -10.273 0.069 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.175 -12.847 0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.747 -11.430 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.603 -13.166 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.832 -14.093 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.765 -9.939 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.210 -13.790 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.717 -9.631 5.361 1.00 0.00 H new ATOM 0 HH TYR A 34 0.338 -10.581 7.056 1.00 0.00 H new ATOM 536 N HIS A 35 -1.679 -14.290 -0.624 1.00 0.00 N ATOM 537 CA HIS A 35 -2.343 -15.080 -1.644 1.00 0.00 C ATOM 538 C HIS A 35 -3.849 -15.039 -1.402 1.00 0.00 C ATOM 539 O HIS A 35 -4.650 -15.239 -2.314 1.00 0.00 O ATOM 540 CB HIS A 35 -1.830 -16.524 -1.606 1.00 0.00 C ATOM 541 CG HIS A 35 -1.937 -17.245 -2.913 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.836 -17.629 -3.645 1.00 0.00 N ATOM 543 CD2 HIS A 35 -3.015 -17.668 -3.610 1.00 0.00 C ATOM 544 CE1 HIS A 35 -1.231 -18.254 -4.734 1.00 0.00 C ATOM 545 NE2 HIS A 35 -2.550 -18.294 -4.740 1.00 0.00 N ATOM 0 H HIS A 35 -1.193 -14.840 0.085 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.127 -14.668 -2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.787 -16.519 -1.290 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.389 -17.077 -0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.050 -17.538 -3.330 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.584 -18.665 -5.495 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.128 -18.720 -5.464 1.00 0.00 H new ATOM 554 N SER A 36 -4.217 -14.749 -0.161 1.00 0.00 N ATOM 555 CA SER A 36 -5.610 -14.634 0.232 1.00 0.00 C ATOM 556 C SER A 36 -6.139 -13.225 -0.054 1.00 0.00 C ATOM 557 O SER A 36 -5.518 -12.461 -0.793 1.00 0.00 O ATOM 558 CB SER A 36 -5.743 -14.977 1.717 1.00 0.00 C ATOM 559 OG SER A 36 -4.765 -14.297 2.486 1.00 0.00 O ATOM 0 H SER A 36 -3.556 -14.587 0.599 1.00 0.00 H new ATOM 0 HA SER A 36 -6.209 -15.334 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.739 -14.707 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.637 -16.053 1.856 1.00 0.00 H new ATOM 0 HG SER A 36 -4.872 -14.531 3.432 1.00 0.00 H new ATOM 565 N ASP A 37 -7.273 -12.883 0.549 1.00 0.00 N ATOM 566 CA ASP A 37 -7.955 -11.614 0.282 1.00 0.00 C ATOM 567 C ASP A 37 -7.392 -10.483 1.146 1.00 0.00 C ATOM 568 O ASP A 37 -7.991 -9.417 1.253 1.00 0.00 O ATOM 569 CB ASP A 37 -9.459 -11.768 0.552 1.00 0.00 C ATOM 570 CG ASP A 37 -9.778 -11.946 2.029 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.007 -12.633 2.737 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.801 -11.395 2.492 1.00 0.00 O ATOM 0 H ASP A 37 -7.746 -13.472 1.234 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.789 -11.356 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.983 -10.890 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.837 -12.627 -0.003 1.00 0.00 H new ATOM 577 N GLN A 38 -6.235 -10.713 1.746 1.00 0.00 N ATOM 578 CA GLN A 38 -5.643 -9.734 2.646 1.00 0.00 C ATOM 579 C GLN A 38 -4.855 -8.680 1.873 1.00 0.00 C ATOM 580 O GLN A 38 -3.807 -8.968 1.291 1.00 0.00 O ATOM 581 CB GLN A 38 -4.744 -10.428 3.666 1.00 0.00 C ATOM 582 CG GLN A 38 -5.480 -11.423 4.550 1.00 0.00 C ATOM 583 CD GLN A 38 -6.627 -10.784 5.309 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.446 -10.273 6.413 1.00 0.00 O ATOM 585 NE2 GLN A 38 -7.819 -10.820 4.731 1.00 0.00 N ATOM 0 H GLN A 38 -5.688 -11.566 1.627 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.451 -9.229 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.943 -10.946 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.274 -9.673 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.864 -12.237 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.779 -11.863 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.928 -11.253 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.627 -10.415 5.203 1.00 0.00 H new ATOM 594 N VAL A 39 -5.381 -7.462 1.867 1.00 0.00 N ATOM 595 CA VAL A 39 -4.751 -6.340 1.189 1.00 0.00 C ATOM 596 C VAL A 39 -4.419 -5.233 2.187 1.00 0.00 C ATOM 597 O VAL A 39 -5.069 -5.117 3.226 1.00 0.00 O ATOM 598 CB VAL A 39 -5.661 -5.766 0.078 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.909 -6.804 -1.004 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.985 -5.276 0.650 1.00 0.00 C ATOM 0 H VAL A 39 -6.257 -7.226 2.333 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.834 -6.710 0.731 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.145 -4.915 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.551 -6.379 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.959 -7.102 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.395 -7.676 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.604 -4.878 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.503 -6.106 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.797 -4.493 1.384 1.00 0.00 H new ATOM 610 N PHE A 40 -3.404 -4.437 1.880 1.00 0.00 N ATOM 611 CA PHE A 40 -3.004 -3.335 2.746 1.00 0.00 C ATOM 612 C PHE A 40 -2.819 -2.064 1.932 1.00 0.00 C ATOM 613 O PHE A 40 -2.380 -2.111 0.783 1.00 0.00 O ATOM 614 CB PHE A 40 -1.706 -3.671 3.491 1.00 0.00 C ATOM 615 CG PHE A 40 -1.862 -4.756 4.519 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.268 -4.450 5.807 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.607 -6.079 4.196 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.417 -5.442 6.756 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.755 -7.077 5.140 1.00 0.00 C ATOM 620 CZ PHE A 40 -2.159 -6.759 6.421 1.00 0.00 C ATOM 0 H PHE A 40 -2.841 -4.534 1.035 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.794 -3.176 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.950 -3.975 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.335 -2.770 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.471 -3.423 6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.289 -6.333 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.734 -5.190 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.555 -8.105 4.876 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.274 -7.537 7.161 1.00 0.00 H new ATOM 630 N ALA A 41 -3.160 -0.930 2.525 1.00 0.00 N ATOM 631 CA ALA A 41 -3.038 0.348 1.845 1.00 0.00 C ATOM 632 C ALA A 41 -2.122 1.289 2.612 1.00 0.00 C ATOM 633 O ALA A 41 -2.198 1.388 3.840 1.00 0.00 O ATOM 634 CB ALA A 41 -4.406 0.982 1.663 1.00 0.00 C ATOM 0 H ALA A 41 -3.523 -0.870 3.476 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.598 0.168 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.299 1.939 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.037 0.322 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.866 1.141 2.638 1.00 0.00 H new ATOM 640 N ILE A 42 -1.249 1.963 1.884 1.00 0.00 N ATOM 641 CA ILE A 42 -0.373 2.974 2.458 1.00 0.00 C ATOM 642 C ILE A 42 -0.363 4.205 1.564 1.00 0.00 C ATOM 643 O ILE A 42 -0.783 4.131 0.411 1.00 0.00 O ATOM 644 CB ILE A 42 1.077 2.459 2.636 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.608 1.873 1.323 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.150 1.428 3.756 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.044 1.395 1.403 1.00 0.00 C ATOM 0 H ILE A 42 -1.126 1.827 0.881 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.761 3.222 3.446 1.00 0.00 H new ATOM 0 HB ILE A 42 1.708 3.304 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.973 1.038 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.529 2.628 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.177 1.080 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.821 1.882 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.504 0.584 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.348 0.994 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.691 2.231 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.127 0.616 2.161 1.00 0.00 H new ATOM 659 N SER A 43 0.085 5.333 2.093 1.00 0.00 N ATOM 660 CA SER A 43 0.187 6.548 1.300 1.00 0.00 C ATOM 661 C SER A 43 1.088 6.298 0.097 1.00 0.00 C ATOM 662 O SER A 43 2.153 5.695 0.225 1.00 0.00 O ATOM 663 CB SER A 43 0.725 7.705 2.145 1.00 0.00 C ATOM 664 OG SER A 43 0.636 8.934 1.446 1.00 0.00 O ATOM 0 H SER A 43 0.383 5.432 3.064 1.00 0.00 H new ATOM 0 HA SER A 43 -0.807 6.825 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.162 7.771 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.763 7.511 2.414 1.00 0.00 H new ATOM 0 HG SER A 43 0.985 9.656 2.009 1.00 0.00 H new ATOM 670 N ASN A 44 0.642 6.743 -1.067 1.00 0.00 N ATOM 671 CA ASN A 44 1.328 6.442 -2.316 1.00 0.00 C ATOM 672 C ASN A 44 2.307 7.557 -2.672 1.00 0.00 C ATOM 673 O ASN A 44 2.811 7.624 -3.786 1.00 0.00 O ATOM 674 CB ASN A 44 0.289 6.255 -3.425 1.00 0.00 C ATOM 675 CG ASN A 44 0.826 5.531 -4.641 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.777 4.764 -4.553 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.190 5.744 -5.779 1.00 0.00 N ATOM 0 H ASN A 44 -0.195 7.316 -1.174 1.00 0.00 H new ATOM 0 HA ASN A 44 1.901 5.522 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.560 5.699 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.085 7.232 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.487 5.261 -6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.598 6.391 -5.810 1.00 0.00 H new ATOM 684 N ILE A 45 2.538 8.441 -1.710 1.00 0.00 N ATOM 685 CA ILE A 45 3.505 9.522 -1.846 1.00 0.00 C ATOM 686 C ILE A 45 4.464 9.496 -0.648 1.00 0.00 C ATOM 687 O ILE A 45 4.020 9.315 0.488 1.00 0.00 O ATOM 688 CB ILE A 45 2.794 10.901 -1.881 1.00 0.00 C ATOM 689 CG1 ILE A 45 1.909 11.028 -3.125 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.804 12.042 -1.825 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.677 10.972 -4.428 1.00 0.00 C ATOM 0 H ILE A 45 2.058 8.428 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 45 4.050 9.380 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 45 2.158 10.968 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.168 10.229 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.362 11.970 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.277 12.996 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.382 11.972 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.476 11.975 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.984 11.068 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.399 11.788 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.202 10.020 -4.500 1.00 0.00 H new ATOM 703 N ASP A 46 5.763 9.671 -0.888 1.00 0.00 N ATOM 704 CA ASP A 46 6.732 9.768 0.211 1.00 0.00 C ATOM 705 C ASP A 46 6.632 11.125 0.894 1.00 0.00 C ATOM 706 O ASP A 46 6.667 12.165 0.232 1.00 0.00 O ATOM 707 CB ASP A 46 8.167 9.557 -0.276 1.00 0.00 C ATOM 708 CG ASP A 46 8.573 8.104 -0.302 1.00 0.00 C ATOM 709 OD1 ASP A 46 8.719 7.513 0.784 1.00 0.00 O ATOM 710 OD2 ASP A 46 8.773 7.561 -1.408 1.00 0.00 O ATOM 0 H ASP A 46 6.169 9.748 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 46 6.488 8.978 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.270 9.975 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.849 10.108 0.372 1.00 0.00 H new ATOM 715 N PRO A 47 6.512 11.136 2.227 1.00 0.00 N ATOM 716 CA PRO A 47 6.341 12.370 2.990 1.00 0.00 C ATOM 717 C PRO A 47 7.631 13.173 3.160 1.00 0.00 C ATOM 718 O PRO A 47 7.681 14.357 2.813 1.00 0.00 O ATOM 719 CB PRO A 47 5.819 11.882 4.341 1.00 0.00 C ATOM 720 CG PRO A 47 6.318 10.483 4.481 1.00 0.00 C ATOM 721 CD PRO A 47 6.511 9.938 3.089 1.00 0.00 C ATOM 0 HA PRO A 47 5.671 13.061 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.183 12.511 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.730 11.915 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.256 10.463 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.605 9.874 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.447 9.386 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.710 9.252 2.816 1.00 0.00 H new ATOM 729 N PHE A 48 8.670 12.539 3.683 1.00 0.00 N ATOM 730 CA PHE A 48 9.925 13.232 3.948 1.00 0.00 C ATOM 731 C PHE A 48 10.822 13.187 2.720 1.00 0.00 C ATOM 732 O PHE A 48 11.456 14.181 2.360 1.00 0.00 O ATOM 733 CB PHE A 48 10.634 12.601 5.152 1.00 0.00 C ATOM 734 CG PHE A 48 11.964 13.227 5.478 1.00 0.00 C ATOM 735 CD1 PHE A 48 12.029 14.476 6.075 1.00 0.00 C ATOM 736 CD2 PHE A 48 13.145 12.561 5.193 1.00 0.00 C ATOM 737 CE1 PHE A 48 13.249 15.052 6.376 1.00 0.00 C ATOM 738 CE2 PHE A 48 14.368 13.133 5.492 1.00 0.00 C ATOM 739 CZ PHE A 48 14.419 14.378 6.085 1.00 0.00 C ATOM 0 H PHE A 48 8.671 11.550 3.932 1.00 0.00 H new ATOM 0 HA PHE A 48 9.707 14.275 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.985 12.678 6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.782 11.539 4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.117 15.005 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.110 11.585 4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.287 16.027 6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 48 15.282 12.606 5.262 1.00 0.00 H new ATOM 0 HZ PHE A 48 15.373 14.825 6.321 1.00 0.00 H new ATOM 749 N PHE A 49 10.855 12.032 2.074 1.00 0.00 N ATOM 750 CA PHE A 49 11.685 11.827 0.895 1.00 0.00 C ATOM 751 C PHE A 49 11.108 12.585 -0.297 1.00 0.00 C ATOM 752 O PHE A 49 11.844 12.985 -1.204 1.00 0.00 O ATOM 753 CB PHE A 49 11.793 10.329 0.588 1.00 0.00 C ATOM 754 CG PHE A 49 12.685 10.007 -0.578 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.058 10.168 -0.486 1.00 0.00 C ATOM 756 CD2 PHE A 49 12.148 9.543 -1.767 1.00 0.00 C ATOM 757 CE1 PHE A 49 14.878 9.873 -1.559 1.00 0.00 C ATOM 758 CE2 PHE A 49 12.961 9.247 -2.845 1.00 0.00 C ATOM 759 CZ PHE A 49 14.329 9.414 -2.740 1.00 0.00 C ATOM 0 H PHE A 49 10.311 11.214 2.349 1.00 0.00 H new ATOM 0 HA PHE A 49 12.685 12.214 1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.168 9.813 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.796 9.937 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.493 10.528 0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.080 9.411 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.947 10.001 -1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.529 8.886 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.968 9.186 -3.580 1.00 0.00 H new ATOM 769 N GLU A 50 9.794 12.794 -0.261 1.00 0.00 N ATOM 770 CA GLU A 50 9.067 13.484 -1.324 1.00 0.00 C ATOM 771 C GLU A 50 9.192 12.723 -2.641 1.00 0.00 C ATOM 772 O GLU A 50 10.000 13.057 -3.511 1.00 0.00 O ATOM 773 CB GLU A 50 9.552 14.929 -1.477 1.00 0.00 C ATOM 774 CG GLU A 50 8.643 15.798 -2.331 1.00 0.00 C ATOM 775 CD GLU A 50 7.270 15.984 -1.718 1.00 0.00 C ATOM 776 OE1 GLU A 50 7.168 16.673 -0.680 1.00 0.00 O ATOM 777 OE2 GLU A 50 6.286 15.442 -2.265 1.00 0.00 O ATOM 0 H GLU A 50 9.201 12.488 0.510 1.00 0.00 H new ATOM 0 HA GLU A 50 8.013 13.516 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.643 15.378 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.549 14.922 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.108 16.773 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.538 15.347 -3.318 1.00 0.00 H new ATOM 784 N SER A 51 8.396 11.683 -2.764 1.00 0.00 N ATOM 785 CA SER A 51 8.415 10.830 -3.932 1.00 0.00 C ATOM 786 C SER A 51 6.987 10.510 -4.328 1.00 0.00 C ATOM 787 O SER A 51 6.068 10.706 -3.539 1.00 0.00 O ATOM 788 CB SER A 51 9.212 9.552 -3.641 1.00 0.00 C ATOM 789 OG SER A 51 9.205 8.652 -4.736 1.00 0.00 O ATOM 0 H SER A 51 7.717 11.405 -2.056 1.00 0.00 H new ATOM 0 HA SER A 51 8.905 11.342 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.241 9.816 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.794 9.057 -2.764 1.00 0.00 H new ATOM 0 HG SER A 51 9.114 7.734 -4.405 1.00 0.00 H new ATOM 795 N SER A 52 6.801 10.042 -5.544 1.00 0.00 N ATOM 796 CA SER A 52 5.475 9.789 -6.058 1.00 0.00 C ATOM 797 C SER A 52 5.054 8.336 -5.819 1.00 0.00 C ATOM 798 O SER A 52 5.379 7.752 -4.790 1.00 0.00 O ATOM 799 CB SER A 52 5.442 10.144 -7.542 1.00 0.00 C ATOM 800 OG SER A 52 5.831 11.496 -7.738 1.00 0.00 O ATOM 0 H SER A 52 7.556 9.829 -6.196 1.00 0.00 H new ATOM 0 HA SER A 52 4.757 10.414 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.110 9.483 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.438 9.987 -7.937 1.00 0.00 H new ATOM 0 HG SER A 52 5.807 11.708 -8.694 1.00 0.00 H new ATOM 806 N VAL A 53 4.385 7.758 -6.805 1.00 0.00 N ATOM 807 CA VAL A 53 3.678 6.489 -6.651 1.00 0.00 C ATOM 808 C VAL A 53 4.614 5.297 -6.430 1.00 0.00 C ATOM 809 O VAL A 53 5.587 5.086 -7.159 1.00 0.00 O ATOM 810 CB VAL A 53 2.775 6.209 -7.880 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.753 7.322 -8.058 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.599 6.049 -9.152 1.00 0.00 C ATOM 0 H VAL A 53 4.315 8.156 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 53 3.068 6.596 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 53 2.251 5.271 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.129 7.107 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.127 7.387 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.270 8.270 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.935 5.854 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.162 6.964 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.291 5.215 -9.035 1.00 0.00 H new ATOM 822 N LEU A 54 4.300 4.541 -5.388 1.00 0.00 N ATOM 823 CA LEU A 54 5.065 3.366 -4.987 1.00 0.00 C ATOM 824 C LEU A 54 4.507 2.090 -5.623 1.00 0.00 C ATOM 825 O LEU A 54 5.105 1.022 -5.513 1.00 0.00 O ATOM 826 CB LEU A 54 5.024 3.235 -3.463 1.00 0.00 C ATOM 827 CG LEU A 54 5.341 4.516 -2.691 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.092 4.317 -1.205 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.777 4.951 -2.943 1.00 0.00 C ATOM 0 H LEU A 54 3.496 4.728 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 54 6.092 3.493 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.032 2.889 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.732 2.463 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 54 4.679 5.306 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.323 5.239 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.046 4.056 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.728 3.514 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.984 5.864 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.458 4.165 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.920 5.136 -4.008 1.00 0.00 H new ATOM 841 N SER A 55 3.360 2.216 -6.290 1.00 0.00 N ATOM 842 CA SER A 55 2.623 1.062 -6.823 1.00 0.00 C ATOM 843 C SER A 55 3.374 0.316 -7.936 1.00 0.00 C ATOM 844 O SER A 55 2.874 -0.668 -8.478 1.00 0.00 O ATOM 845 CB SER A 55 1.266 1.528 -7.354 1.00 0.00 C ATOM 846 OG SER A 55 0.578 2.302 -6.384 1.00 0.00 O ATOM 0 H SER A 55 2.914 3.114 -6.477 1.00 0.00 H new ATOM 0 HA SER A 55 2.503 0.359 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.409 2.117 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.663 0.663 -7.629 1.00 0.00 H new ATOM 0 HG SER A 55 -0.258 1.853 -6.140 1.00 0.00 H new ATOM 852 N ARG A 56 4.568 0.765 -8.268 1.00 0.00 N ATOM 853 CA ARG A 56 5.332 0.157 -9.346 1.00 0.00 C ATOM 854 C ARG A 56 6.552 -0.577 -8.786 1.00 0.00 C ATOM 855 O ARG A 56 7.639 -0.535 -9.362 1.00 0.00 O ATOM 856 CB ARG A 56 5.741 1.207 -10.380 1.00 0.00 C ATOM 857 CG ARG A 56 6.132 0.626 -11.740 1.00 0.00 C ATOM 858 CD ARG A 56 4.980 -0.133 -12.403 1.00 0.00 C ATOM 859 NE ARG A 56 4.725 -1.438 -11.780 1.00 0.00 N ATOM 860 CZ ARG A 56 3.824 -2.326 -12.219 1.00 0.00 C ATOM 861 NH1 ARG A 56 3.072 -2.056 -13.284 1.00 0.00 N ATOM 862 NH2 ARG A 56 3.680 -3.488 -11.589 1.00 0.00 N ATOM 0 H ARG A 56 5.033 1.548 -7.809 1.00 0.00 H new ATOM 0 HA ARG A 56 4.701 -0.574 -9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.915 1.905 -10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.581 1.780 -9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.458 1.433 -12.397 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.981 -0.045 -11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.075 0.472 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.207 -0.278 -13.459 1.00 0.00 H new ATOM 0 HE ARG A 56 5.272 -1.685 -10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.180 -1.167 -13.772 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.388 -2.738 -13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.255 -3.701 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.995 -4.167 -11.921 1.00 0.00 H new ATOM 876 N GLY A 57 6.353 -1.263 -7.669 1.00 0.00 N ATOM 877 CA GLY A 57 7.442 -1.964 -7.020 1.00 0.00 C ATOM 878 C GLY A 57 7.048 -3.368 -6.606 1.00 0.00 C ATOM 879 O GLY A 57 5.862 -3.709 -6.602 1.00 0.00 O ATOM 0 H GLY A 57 5.452 -1.346 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.296 -2.012 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.761 -1.403 -6.142 1.00 0.00 H new ATOM 883 N LEU A 58 8.041 -4.192 -6.293 1.00 0.00 N ATOM 884 CA LEU A 58 7.808 -5.599 -5.982 1.00 0.00 C ATOM 885 C LEU A 58 7.595 -5.799 -4.486 1.00 0.00 C ATOM 886 O LEU A 58 7.945 -4.942 -3.680 1.00 0.00 O ATOM 887 CB LEU A 58 8.984 -6.469 -6.454 1.00 0.00 C ATOM 888 CG LEU A 58 10.331 -6.193 -5.773 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.214 -7.428 -5.839 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.037 -5.011 -6.428 1.00 0.00 C ATOM 0 H LEU A 58 9.020 -3.909 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 58 6.906 -5.905 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.725 -7.516 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.106 -6.331 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 58 10.142 -5.945 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.167 -7.220 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.720 -8.256 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.389 -7.695 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.990 -4.834 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.214 -5.231 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.412 -4.122 -6.344 1.00 0.00 H new ATOM 902 N ILE A 59 7.033 -6.940 -4.121 1.00 0.00 N ATOM 903 CA ILE A 59 6.795 -7.258 -2.721 1.00 0.00 C ATOM 904 C ILE A 59 7.736 -8.372 -2.271 1.00 0.00 C ATOM 905 O ILE A 59 7.812 -9.426 -2.905 1.00 0.00 O ATOM 906 CB ILE A 59 5.328 -7.678 -2.478 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.381 -6.559 -2.926 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.104 -8.014 -1.007 1.00 0.00 C ATOM 909 CD1 ILE A 59 2.912 -6.906 -2.803 1.00 0.00 C ATOM 0 H ILE A 59 6.733 -7.663 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 59 6.989 -6.359 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 59 5.117 -8.571 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.584 -5.667 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.598 -6.308 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.065 -8.308 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.759 -8.835 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.327 -7.139 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.309 -6.062 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.691 -7.778 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.676 -7.128 -1.762 1.00 0.00 H new ATOM 921 N ALA A 60 8.462 -8.130 -1.189 1.00 0.00 N ATOM 922 CA ALA A 60 9.435 -9.085 -0.691 1.00 0.00 C ATOM 923 C ALA A 60 9.275 -9.305 0.810 1.00 0.00 C ATOM 924 O ALA A 60 9.394 -8.372 1.605 1.00 0.00 O ATOM 925 CB ALA A 60 10.845 -8.609 -1.008 1.00 0.00 C ATOM 0 H ALA A 60 8.393 -7.274 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 60 9.260 -10.038 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.567 -9.333 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.962 -8.510 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.018 -7.643 -0.534 1.00 0.00 H new ATOM 931 N GLU A 61 8.986 -10.539 1.183 1.00 0.00 N ATOM 932 CA GLU A 61 8.923 -10.925 2.583 1.00 0.00 C ATOM 933 C GLU A 61 10.329 -11.199 3.107 1.00 0.00 C ATOM 934 O GLU A 61 11.059 -12.006 2.530 1.00 0.00 O ATOM 935 CB GLU A 61 8.055 -12.175 2.741 1.00 0.00 C ATOM 936 CG GLU A 61 8.074 -12.765 4.142 1.00 0.00 C ATOM 937 CD GLU A 61 7.434 -14.134 4.197 1.00 0.00 C ATOM 938 OE1 GLU A 61 7.913 -15.050 3.494 1.00 0.00 O ATOM 939 OE2 GLU A 61 6.447 -14.305 4.937 1.00 0.00 O ATOM 0 H GLU A 61 8.790 -11.298 0.530 1.00 0.00 H new ATOM 0 HA GLU A 61 8.480 -10.111 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.027 -11.928 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.394 -12.932 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.104 -12.834 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.551 -12.094 4.823 1.00 0.00 H new ATOM 946 N HIS A 62 10.714 -10.533 4.191 1.00 0.00 N ATOM 947 CA HIS A 62 12.038 -10.742 4.772 1.00 0.00 C ATOM 948 C HIS A 62 12.063 -12.016 5.605 1.00 0.00 C ATOM 949 O HIS A 62 12.443 -13.081 5.118 1.00 0.00 O ATOM 950 CB HIS A 62 12.467 -9.555 5.638 1.00 0.00 C ATOM 951 CG HIS A 62 12.883 -8.344 4.866 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.703 -7.061 5.334 1.00 0.00 N ATOM 953 CD2 HIS A 62 13.501 -8.221 3.668 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.192 -6.202 4.458 1.00 0.00 C ATOM 955 NE2 HIS A 62 13.682 -6.880 3.442 1.00 0.00 N ATOM 0 H HIS A 62 10.136 -9.851 4.682 1.00 0.00 H new ATOM 0 HA HIS A 62 12.742 -10.836 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.642 -9.285 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 62 13.295 -9.866 6.275 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.261 -6.813 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.796 -9.027 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.190 -5.127 4.558 1.00 0.00 H new ATOM 964 N GLN A 63 11.637 -11.906 6.854 1.00 0.00 N ATOM 965 CA GLN A 63 11.645 -13.039 7.765 1.00 0.00 C ATOM 966 C GLN A 63 10.217 -13.421 8.132 1.00 0.00 C ATOM 967 O GLN A 63 9.951 -14.519 8.619 1.00 0.00 O ATOM 968 CB GLN A 63 12.431 -12.693 9.035 1.00 0.00 C ATOM 969 CG GLN A 63 13.771 -12.015 8.777 1.00 0.00 C ATOM 970 CD GLN A 63 14.697 -12.830 7.891 1.00 0.00 C ATOM 971 OE1 GLN A 63 14.667 -14.060 7.892 1.00 0.00 O ATOM 972 NE2 GLN A 63 15.525 -12.147 7.119 1.00 0.00 N ATOM 0 H GLN A 63 11.281 -11.041 7.260 1.00 0.00 H new ATOM 0 HA GLN A 63 12.126 -13.882 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.821 -12.040 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.603 -13.608 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.596 -11.045 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.265 -11.827 9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.522 -11.127 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.167 -12.640 6.498 1.00 0.00 H new ATOM 981 N GLY A 64 9.303 -12.505 7.866 1.00 0.00 N ATOM 982 CA GLY A 64 7.913 -12.693 8.235 1.00 0.00 C ATOM 983 C GLY A 64 7.089 -11.458 7.947 1.00 0.00 C ATOM 984 O GLY A 64 5.883 -11.540 7.717 1.00 0.00 O ATOM 0 H GLY A 64 9.500 -11.622 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.502 -13.541 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.847 -12.936 9.296 1.00 0.00 H new ATOM 988 N GLU A 65 7.756 -10.315 7.943 1.00 0.00 N ATOM 989 CA GLU A 65 7.122 -9.053 7.620 1.00 0.00 C ATOM 990 C GLU A 65 7.184 -8.810 6.119 1.00 0.00 C ATOM 991 O GLU A 65 8.151 -9.191 5.448 1.00 0.00 O ATOM 992 CB GLU A 65 7.789 -7.890 8.376 1.00 0.00 C ATOM 993 CG GLU A 65 9.047 -8.271 9.154 1.00 0.00 C ATOM 994 CD GLU A 65 10.220 -8.648 8.267 1.00 0.00 C ATOM 995 OE1 GLU A 65 10.351 -9.841 7.925 1.00 0.00 O ATOM 996 OE2 GLU A 65 11.020 -7.755 7.918 1.00 0.00 O ATOM 0 H GLU A 65 8.749 -10.239 8.163 1.00 0.00 H new ATOM 0 HA GLU A 65 6.079 -9.104 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.044 -7.108 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.065 -7.463 9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.338 -7.435 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.817 -9.108 9.813 1.00 0.00 H new ATOM 1003 N LEU A 66 6.145 -8.183 5.600 1.00 0.00 N ATOM 1004 CA LEU A 66 6.005 -7.978 4.171 1.00 0.00 C ATOM 1005 C LEU A 66 6.419 -6.564 3.787 1.00 0.00 C ATOM 1006 O LEU A 66 5.802 -5.583 4.212 1.00 0.00 O ATOM 1007 CB LEU A 66 4.558 -8.250 3.765 1.00 0.00 C ATOM 1008 CG LEU A 66 4.073 -9.669 4.071 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.556 -9.736 4.048 1.00 0.00 C ATOM 1010 CD2 LEU A 66 4.663 -10.653 3.076 1.00 0.00 C ATOM 0 H LEU A 66 5.378 -7.803 6.154 1.00 0.00 H new ATOM 0 HA LEU A 66 6.661 -8.669 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.910 -7.539 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.452 -8.065 2.696 1.00 0.00 H new ATOM 0 HG LEU A 66 4.410 -9.939 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.233 -10.754 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.150 -9.057 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.194 -9.446 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.310 -11.658 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.353 -10.381 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.751 -10.627 3.140 1.00 0.00 H new ATOM 1022 N TRP A 67 7.471 -6.467 2.995 1.00 0.00 N ATOM 1023 CA TRP A 67 7.989 -5.180 2.564 1.00 0.00 C ATOM 1024 C TRP A 67 7.789 -5.001 1.066 1.00 0.00 C ATOM 1025 O TRP A 67 7.947 -5.943 0.296 1.00 0.00 O ATOM 1026 CB TRP A 67 9.483 -5.060 2.887 1.00 0.00 C ATOM 1027 CG TRP A 67 9.804 -5.029 4.353 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.704 -6.061 5.241 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.303 -3.909 5.096 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.111 -5.652 6.485 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.479 -4.335 6.426 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.617 -2.587 4.768 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.955 -3.487 7.423 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 11.087 -1.747 5.759 1.00 0.00 C ATOM 1035 CH2 TRP A 67 11.253 -2.200 7.073 1.00 0.00 C ATOM 0 H TRP A 67 7.987 -7.270 2.635 1.00 0.00 H new ATOM 0 HA TRP A 67 7.442 -4.404 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.009 -5.899 2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.870 -4.152 2.424 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.355 -7.054 4.999 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.136 -6.236 7.321 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.494 -2.228 3.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 11.084 -3.834 8.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.331 -0.723 5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.624 -1.519 7.825 1.00 0.00 H new ATOM 1046 N VAL A 68 7.426 -3.800 0.661 1.00 0.00 N ATOM 1047 CA VAL A 68 7.367 -3.465 -0.751 1.00 0.00 C ATOM 1048 C VAL A 68 8.616 -2.676 -1.132 1.00 0.00 C ATOM 1049 O VAL A 68 9.036 -1.767 -0.409 1.00 0.00 O ATOM 1050 CB VAL A 68 6.083 -2.676 -1.115 1.00 0.00 C ATOM 1051 CG1 VAL A 68 5.966 -1.397 -0.303 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.039 -2.377 -2.609 1.00 0.00 C ATOM 0 H VAL A 68 7.167 -3.039 1.289 1.00 0.00 H new ATOM 0 HA VAL A 68 7.331 -4.394 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 68 5.227 -3.303 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.055 -0.870 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.931 -1.642 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.829 -0.761 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.130 -1.823 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.909 -1.781 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.047 -3.313 -3.168 1.00 0.00 H new ATOM 1062 N ALA A 69 9.229 -3.055 -2.242 1.00 0.00 N ATOM 1063 CA ALA A 69 10.486 -2.465 -2.660 1.00 0.00 C ATOM 1064 C ALA A 69 10.307 -1.610 -3.907 1.00 0.00 C ATOM 1065 O ALA A 69 9.968 -2.115 -4.979 1.00 0.00 O ATOM 1066 CB ALA A 69 11.522 -3.552 -2.906 1.00 0.00 C ATOM 0 H ALA A 69 8.872 -3.773 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 69 10.838 -1.816 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.461 -3.096 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.682 -4.117 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.166 -4.223 -3.688 1.00 0.00 H new ATOM 1072 N SER A 70 10.544 -0.318 -3.758 1.00 0.00 N ATOM 1073 CA SER A 70 10.449 0.614 -4.867 1.00 0.00 C ATOM 1074 C SER A 70 11.801 0.725 -5.570 1.00 0.00 C ATOM 1075 O SER A 70 12.798 1.111 -4.956 1.00 0.00 O ATOM 1076 CB SER A 70 10.002 1.986 -4.359 1.00 0.00 C ATOM 1077 OG SER A 70 8.799 1.884 -3.619 1.00 0.00 O ATOM 0 H SER A 70 10.806 0.112 -2.871 1.00 0.00 H new ATOM 0 HA SER A 70 9.711 0.247 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.783 2.419 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.859 2.661 -5.202 1.00 0.00 H new ATOM 0 HG SER A 70 8.156 2.546 -3.948 1.00 0.00 H new ATOM 1083 N PRO A 71 11.848 0.396 -6.874 1.00 0.00 N ATOM 1084 CA PRO A 71 13.089 0.421 -7.669 1.00 0.00 C ATOM 1085 C PRO A 71 13.669 1.829 -7.815 1.00 0.00 C ATOM 1086 O PRO A 71 14.748 2.014 -8.380 1.00 0.00 O ATOM 1087 CB PRO A 71 12.660 -0.121 -9.039 1.00 0.00 C ATOM 1088 CG PRO A 71 11.351 -0.795 -8.803 1.00 0.00 C ATOM 1089 CD PRO A 71 10.699 -0.045 -7.678 1.00 0.00 C ATOM 0 HA PRO A 71 13.877 -0.163 -7.193 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.562 0.684 -9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.397 -0.820 -9.434 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.732 -0.770 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.493 -1.844 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.111 0.798 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.024 -0.681 -7.105 1.00 0.00 H new ATOM 1097 N LEU A 72 12.940 2.811 -7.293 1.00 0.00 N ATOM 1098 CA LEU A 72 13.363 4.207 -7.317 1.00 0.00 C ATOM 1099 C LEU A 72 14.726 4.373 -6.652 1.00 0.00 C ATOM 1100 O LEU A 72 15.646 4.952 -7.226 1.00 0.00 O ATOM 1101 CB LEU A 72 12.331 5.070 -6.585 1.00 0.00 C ATOM 1102 CG LEU A 72 10.902 4.977 -7.123 1.00 0.00 C ATOM 1103 CD1 LEU A 72 9.925 5.612 -6.148 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.799 5.650 -8.481 1.00 0.00 C ATOM 0 H LEU A 72 12.038 2.661 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 72 13.442 4.525 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.325 4.786 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.653 6.110 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 72 10.647 3.923 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.913 5.537 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.977 5.093 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.183 6.662 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.775 5.574 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.074 6.701 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.473 5.159 -9.183 1.00 0.00 H new ATOM 1116 N LYS A 73 14.845 3.844 -5.442 1.00 0.00 N ATOM 1117 CA LYS A 73 16.058 3.989 -4.646 1.00 0.00 C ATOM 1118 C LYS A 73 16.363 2.704 -3.892 1.00 0.00 C ATOM 1119 O LYS A 73 17.108 2.723 -2.911 1.00 0.00 O ATOM 1120 CB LYS A 73 15.885 5.135 -3.640 1.00 0.00 C ATOM 1121 CG LYS A 73 16.093 6.522 -4.230 1.00 0.00 C ATOM 1122 CD LYS A 73 17.569 6.830 -4.412 1.00 0.00 C ATOM 1123 CE LYS A 73 18.301 6.807 -3.077 1.00 0.00 C ATOM 1124 NZ LYS A 73 19.744 7.115 -3.224 1.00 0.00 N ATOM 0 H LYS A 73 14.109 3.305 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 73 16.886 4.209 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.883 5.081 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.589 4.992 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.584 6.590 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.642 7.269 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.015 6.101 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.685 7.809 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.844 7.530 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.186 5.825 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.202 7.088 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.188 6.411 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.856 8.063 -3.637 1.00 0.00 H new ATOM 1138 N LYS A 74 15.800 1.586 -4.370 1.00 0.00 N ATOM 1139 CA LYS A 74 15.854 0.317 -3.636 1.00 0.00 C ATOM 1140 C LYS A 74 15.127 0.511 -2.312 1.00 0.00 C ATOM 1141 O LYS A 74 15.487 -0.051 -1.279 1.00 0.00 O ATOM 1142 CB LYS A 74 17.307 -0.124 -3.421 1.00 0.00 C ATOM 1143 CG LYS A 74 18.099 -0.194 -4.717 1.00 0.00 C ATOM 1144 CD LYS A 74 19.593 -0.264 -4.460 1.00 0.00 C ATOM 1145 CE LYS A 74 20.379 -0.054 -5.741 1.00 0.00 C ATOM 1146 NZ LYS A 74 21.830 0.105 -5.476 1.00 0.00 N ATOM 0 H LYS A 74 15.303 1.536 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 74 15.368 -0.474 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.796 0.571 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.318 -1.102 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.787 -1.069 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.876 0.681 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.875 0.493 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.846 -1.233 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.222 -0.902 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.004 0.830 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.334 0.246 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.982 0.929 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.193 -0.749 -5.007 1.00 0.00 H new ATOM 1160 N GLN A 75 14.071 1.304 -2.403 1.00 0.00 N ATOM 1161 CA GLN A 75 13.329 1.802 -1.262 1.00 0.00 C ATOM 1162 C GLN A 75 12.474 0.698 -0.645 1.00 0.00 C ATOM 1163 O GLN A 75 11.940 -0.148 -1.362 1.00 0.00 O ATOM 1164 CB GLN A 75 12.467 2.959 -1.755 1.00 0.00 C ATOM 1165 CG GLN A 75 11.763 3.745 -0.675 1.00 0.00 C ATOM 1166 CD GLN A 75 10.966 4.886 -1.261 1.00 0.00 C ATOM 1167 OE1 GLN A 75 10.510 4.811 -2.404 1.00 0.00 O ATOM 1168 NE2 GLN A 75 10.794 5.942 -0.493 1.00 0.00 N ATOM 0 H GLN A 75 13.699 1.626 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 75 14.008 2.143 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 75 13.096 3.641 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.718 2.565 -2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.100 3.085 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.496 4.135 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.190 5.959 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.265 6.743 -0.838 1.00 0.00 H new ATOM 1177 N ARG A 76 12.341 0.710 0.676 1.00 0.00 N ATOM 1178 CA ARG A 76 11.683 -0.385 1.382 1.00 0.00 C ATOM 1179 C ARG A 76 10.593 0.119 2.326 1.00 0.00 C ATOM 1180 O ARG A 76 10.855 0.910 3.231 1.00 0.00 O ATOM 1181 CB ARG A 76 12.727 -1.184 2.165 1.00 0.00 C ATOM 1182 CG ARG A 76 13.763 -1.864 1.280 1.00 0.00 C ATOM 1183 CD ARG A 76 15.177 -1.650 1.801 1.00 0.00 C ATOM 1184 NE ARG A 76 15.577 -0.244 1.737 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.709 0.238 2.248 1.00 0.00 C ATOM 1186 NH1 ARG A 76 17.588 -0.575 2.821 1.00 0.00 N ATOM 1187 NH2 ARG A 76 16.969 1.534 2.162 1.00 0.00 N ATOM 0 H ARG A 76 12.678 1.461 1.278 1.00 0.00 H new ATOM 0 HA ARG A 76 11.202 -1.024 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.237 -0.517 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.220 -1.941 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.552 -2.932 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.686 -1.474 0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.240 -1.999 2.832 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.874 -2.252 1.218 1.00 0.00 H new ATOM 0 HE ARG A 76 14.948 0.410 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.399 -1.576 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.453 -0.199 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.304 2.158 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.834 1.908 2.552 1.00 0.00 H new ATOM 1201 N PHE A 77 9.369 -0.352 2.107 1.00 0.00 N ATOM 1202 CA PHE A 77 8.244 -0.018 2.978 1.00 0.00 C ATOM 1203 C PHE A 77 7.665 -1.269 3.618 1.00 0.00 C ATOM 1204 O PHE A 77 7.405 -2.255 2.933 1.00 0.00 O ATOM 1205 CB PHE A 77 7.120 0.668 2.202 1.00 0.00 C ATOM 1206 CG PHE A 77 7.476 1.999 1.621 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.039 2.088 0.363 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.230 3.162 2.329 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.355 3.313 -0.179 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.544 4.393 1.790 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.108 4.467 0.536 1.00 0.00 C ATOM 0 H PHE A 77 9.129 -0.969 1.331 1.00 0.00 H new ATOM 0 HA PHE A 77 8.632 0.656 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.801 0.009 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.265 0.795 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.233 1.188 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.788 3.106 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.796 3.371 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.348 5.295 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.357 5.429 0.112 1.00 0.00 H new ATOM 1221 N ARG A 78 7.446 -1.227 4.920 1.00 0.00 N ATOM 1222 CA ARG A 78 6.758 -2.310 5.602 1.00 0.00 C ATOM 1223 C ARG A 78 5.258 -2.062 5.503 1.00 0.00 C ATOM 1224 O ARG A 78 4.676 -1.389 6.352 1.00 0.00 O ATOM 1225 CB ARG A 78 7.203 -2.404 7.068 1.00 0.00 C ATOM 1226 CG ARG A 78 6.666 -3.626 7.803 1.00 0.00 C ATOM 1227 CD ARG A 78 7.218 -3.721 9.221 1.00 0.00 C ATOM 1228 NE ARG A 78 6.756 -2.623 10.071 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.475 -2.095 11.061 1.00 0.00 C ATOM 1230 NH1 ARG A 78 8.680 -2.573 11.346 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.989 -1.088 11.778 1.00 0.00 N ATOM 0 H ARG A 78 7.733 -0.458 5.525 1.00 0.00 H new ATOM 0 HA ARG A 78 7.006 -3.261 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.292 -2.420 7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.879 -1.506 7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.578 -3.579 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.928 -4.528 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.917 -4.671 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.307 -3.717 9.186 1.00 0.00 H new ATOM 0 HE ARG A 78 5.828 -2.239 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.061 -3.350 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.225 -2.164 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.062 -0.716 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.543 -0.687 12.535 1.00 0.00 H new ATOM 1245 N LEU A 79 4.646 -2.590 4.446 1.00 0.00 N ATOM 1246 CA LEU A 79 3.259 -2.266 4.097 1.00 0.00 C ATOM 1247 C LEU A 79 2.263 -2.731 5.161 1.00 0.00 C ATOM 1248 O LEU A 79 1.113 -2.289 5.183 1.00 0.00 O ATOM 1249 CB LEU A 79 2.910 -2.849 2.717 1.00 0.00 C ATOM 1250 CG LEU A 79 3.303 -4.315 2.480 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.351 -5.264 3.190 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.344 -4.619 0.991 1.00 0.00 C ATOM 0 H LEU A 79 5.091 -3.251 3.809 1.00 0.00 H new ATOM 0 HA LEU A 79 3.177 -1.180 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.834 -2.754 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.393 -2.237 1.955 1.00 0.00 H new ATOM 0 HG LEU A 79 4.299 -4.466 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.656 -6.293 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.374 -5.068 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.339 -5.112 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.624 -5.662 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.361 -4.441 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.077 -3.973 0.508 1.00 0.00 H new ATOM 1264 N SER A 80 2.712 -3.608 6.046 1.00 0.00 N ATOM 1265 CA SER A 80 1.885 -4.076 7.146 1.00 0.00 C ATOM 1266 C SER A 80 1.665 -2.962 8.172 1.00 0.00 C ATOM 1267 O SER A 80 0.723 -3.009 8.961 1.00 0.00 O ATOM 1268 CB SER A 80 2.558 -5.275 7.813 1.00 0.00 C ATOM 1269 OG SER A 80 2.963 -6.232 6.847 1.00 0.00 O ATOM 0 H SER A 80 3.649 -4.011 6.023 1.00 0.00 H new ATOM 0 HA SER A 80 0.913 -4.374 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.424 -4.940 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.869 -5.736 8.521 1.00 0.00 H new ATOM 0 HG SER A 80 3.393 -6.989 7.297 1.00 0.00 H new ATOM 1275 N ASP A 81 2.526 -1.951 8.127 1.00 0.00 N ATOM 1276 CA ASP A 81 2.522 -0.883 9.124 1.00 0.00 C ATOM 1277 C ASP A 81 2.539 0.497 8.475 1.00 0.00 C ATOM 1278 O ASP A 81 1.762 1.374 8.846 1.00 0.00 O ATOM 1279 CB ASP A 81 3.736 -1.047 10.039 1.00 0.00 C ATOM 1280 CG ASP A 81 3.993 0.159 10.918 1.00 0.00 C ATOM 1281 OD1 ASP A 81 3.359 0.272 11.985 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.859 0.977 10.555 1.00 0.00 O ATOM 0 H ASP A 81 3.240 -1.847 7.406 1.00 0.00 H new ATOM 0 HA ASP A 81 1.602 -0.959 9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.590 -1.923 10.671 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.619 -1.237 9.429 1.00 0.00 H new ATOM 1287 N GLY A 82 3.415 0.679 7.501 1.00 0.00 N ATOM 1288 CA GLY A 82 3.554 1.972 6.862 1.00 0.00 C ATOM 1289 C GLY A 82 4.960 2.515 7.000 1.00 0.00 C ATOM 1290 O GLY A 82 5.334 3.475 6.325 1.00 0.00 O ATOM 0 H GLY A 82 4.034 -0.046 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.299 1.885 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.847 2.674 7.304 1.00 0.00 H new ATOM 1294 N LEU A 83 5.735 1.900 7.887 1.00 0.00 N ATOM 1295 CA LEU A 83 7.124 2.283 8.094 1.00 0.00 C ATOM 1296 C LEU A 83 7.925 2.191 6.805 1.00 0.00 C ATOM 1297 O LEU A 83 7.830 1.210 6.067 1.00 0.00 O ATOM 1298 CB LEU A 83 7.793 1.389 9.138 1.00 0.00 C ATOM 1299 CG LEU A 83 9.295 1.635 9.311 1.00 0.00 C ATOM 1300 CD1 LEU A 83 9.548 2.905 10.107 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.968 0.438 9.959 1.00 0.00 C ATOM 0 H LEU A 83 5.421 1.129 8.477 1.00 0.00 H new ATOM 0 HA LEU A 83 7.112 3.316 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.299 1.540 10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.637 0.347 8.860 1.00 0.00 H new ATOM 0 HG LEU A 83 9.733 1.769 8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.622 3.058 10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.112 3.756 9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.092 2.813 11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.034 0.637 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.527 0.259 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.827 -0.442 9.332 1.00 0.00 H new ATOM 1313 N CYS A 84 8.710 3.216 6.552 1.00 0.00 N ATOM 1314 CA CYS A 84 9.672 3.196 5.468 1.00 0.00 C ATOM 1315 C CYS A 84 11.062 3.055 6.069 1.00 0.00 C ATOM 1316 O CYS A 84 11.312 3.550 7.164 1.00 0.00 O ATOM 1317 CB CYS A 84 9.571 4.479 4.647 1.00 0.00 C ATOM 1318 SG CYS A 84 10.662 4.534 3.204 1.00 0.00 S ATOM 0 H CYS A 84 8.701 4.084 7.088 1.00 0.00 H new ATOM 0 HA CYS A 84 9.469 2.358 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.541 4.601 4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.800 5.327 5.292 1.00 0.00 H new ATOM 0 HG CYS A 84 9.946 4.581 2.120 1.00 0.00 H new ATOM 1324 N MET A 85 11.951 2.371 5.377 1.00 0.00 N ATOM 1325 CA MET A 85 13.282 2.125 5.906 1.00 0.00 C ATOM 1326 C MET A 85 14.169 3.366 5.772 1.00 0.00 C ATOM 1327 O MET A 85 14.945 3.683 6.673 1.00 0.00 O ATOM 1328 CB MET A 85 13.908 0.923 5.201 1.00 0.00 C ATOM 1329 CG MET A 85 15.027 0.273 5.995 1.00 0.00 C ATOM 1330 SD MET A 85 15.502 -1.333 5.330 1.00 0.00 S ATOM 1331 CE MET A 85 16.619 -1.906 6.604 1.00 0.00 C ATOM 0 H MET A 85 11.780 1.977 4.452 1.00 0.00 H new ATOM 0 HA MET A 85 13.197 1.900 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.133 0.182 5.006 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.296 1.241 4.233 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.895 0.932 6.000 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.711 0.155 7.032 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.000 -2.892 6.338 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.452 -1.209 6.698 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.087 -1.967 7.554 1.00 0.00 H new ATOM 1341 N GLU A 86 14.046 4.072 4.655 1.00 0.00 N ATOM 1342 CA GLU A 86 14.808 5.302 4.442 1.00 0.00 C ATOM 1343 C GLU A 86 14.033 6.532 4.920 1.00 0.00 C ATOM 1344 O GLU A 86 14.607 7.440 5.526 1.00 0.00 O ATOM 1345 CB GLU A 86 15.223 5.465 2.970 1.00 0.00 C ATOM 1346 CG GLU A 86 14.188 4.995 1.958 1.00 0.00 C ATOM 1347 CD GLU A 86 14.207 3.490 1.760 1.00 0.00 C ATOM 1348 OE1 GLU A 86 15.101 2.995 1.046 1.00 0.00 O ATOM 1349 OE2 GLU A 86 13.335 2.800 2.324 1.00 0.00 O ATOM 0 H GLU A 86 13.429 3.818 3.884 1.00 0.00 H new ATOM 0 HA GLU A 86 15.716 5.220 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.441 6.516 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.148 4.913 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.196 5.302 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.371 5.486 1.002 1.00 0.00 H new ATOM 1356 N ASP A 87 12.726 6.546 4.672 1.00 0.00 N ATOM 1357 CA ASP A 87 11.858 7.646 5.120 1.00 0.00 C ATOM 1358 C ASP A 87 11.464 7.426 6.586 1.00 0.00 C ATOM 1359 O ASP A 87 10.585 8.091 7.116 1.00 0.00 O ATOM 1360 CB ASP A 87 10.612 7.756 4.225 1.00 0.00 C ATOM 1361 CG ASP A 87 9.856 9.067 4.394 1.00 0.00 C ATOM 1362 OD1 ASP A 87 9.071 9.192 5.356 1.00 0.00 O ATOM 1363 OD2 ASP A 87 10.035 9.972 3.553 1.00 0.00 O ATOM 0 H ASP A 87 12.238 5.809 4.163 1.00 0.00 H new ATOM 0 HA ASP A 87 12.405 8.586 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.913 7.651 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.940 6.927 4.448 1.00 0.00 H new ATOM 1368 N GLU A 88 12.134 6.454 7.208 1.00 0.00 N ATOM 1369 CA GLU A 88 11.910 6.029 8.603 1.00 0.00 C ATOM 1370 C GLU A 88 11.530 7.173 9.555 1.00 0.00 C ATOM 1371 O GLU A 88 10.773 6.963 10.504 1.00 0.00 O ATOM 1372 CB GLU A 88 13.183 5.342 9.110 1.00 0.00 C ATOM 1373 CG GLU A 88 13.058 4.721 10.489 1.00 0.00 C ATOM 1374 CD GLU A 88 14.369 4.133 10.963 1.00 0.00 C ATOM 1375 OE1 GLU A 88 15.184 4.885 11.544 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.598 2.924 10.752 1.00 0.00 O ATOM 0 H GLU A 88 12.871 5.921 6.746 1.00 0.00 H new ATOM 0 HA GLU A 88 11.057 5.350 8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.468 4.565 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.992 6.072 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.721 5.477 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.297 3.941 10.469 1.00 0.00 H new ATOM 1383 N GLN A 89 12.050 8.369 9.305 1.00 0.00 N ATOM 1384 CA GLN A 89 11.767 9.529 10.147 1.00 0.00 C ATOM 1385 C GLN A 89 10.265 9.818 10.224 1.00 0.00 C ATOM 1386 O GLN A 89 9.748 10.171 11.284 1.00 0.00 O ATOM 1387 CB GLN A 89 12.502 10.758 9.611 1.00 0.00 C ATOM 1388 CG GLN A 89 13.982 10.515 9.379 1.00 0.00 C ATOM 1389 CD GLN A 89 14.686 9.992 10.614 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.329 10.331 11.740 1.00 0.00 O ATOM 1391 NE2 GLN A 89 15.678 9.145 10.408 1.00 0.00 N ATOM 0 H GLN A 89 12.674 8.563 8.522 1.00 0.00 H new ATOM 0 HA GLN A 89 12.119 9.301 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.040 11.070 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.381 11.581 10.315 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.106 9.801 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.454 11.445 9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.942 8.890 9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.180 8.745 11.201 1.00 0.00 H new ATOM 1400 N PHE A 90 9.574 9.662 9.103 1.00 0.00 N ATOM 1401 CA PHE A 90 8.140 9.920 9.045 1.00 0.00 C ATOM 1402 C PHE A 90 7.370 8.662 8.664 1.00 0.00 C ATOM 1403 O PHE A 90 6.467 8.239 9.393 1.00 0.00 O ATOM 1404 CB PHE A 90 7.835 11.042 8.047 1.00 0.00 C ATOM 1405 CG PHE A 90 8.208 12.412 8.541 1.00 0.00 C ATOM 1406 CD1 PHE A 90 9.519 12.854 8.487 1.00 0.00 C ATOM 1407 CD2 PHE A 90 7.240 13.261 9.055 1.00 0.00 C ATOM 1408 CE1 PHE A 90 9.860 14.114 8.941 1.00 0.00 C ATOM 1409 CE2 PHE A 90 7.575 14.521 9.510 1.00 0.00 C ATOM 1410 CZ PHE A 90 8.887 14.949 9.450 1.00 0.00 C ATOM 0 H PHE A 90 9.983 9.358 8.220 1.00 0.00 H new ATOM 0 HA PHE A 90 7.818 10.232 10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.368 10.844 7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.771 11.028 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.284 12.206 8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.212 12.933 9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.887 14.445 8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.812 15.171 9.912 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.151 15.936 9.801 1.00 0.00 H new ATOM 1420 N SER A 91 7.752 8.065 7.532 1.00 0.00 N ATOM 1421 CA SER A 91 7.068 6.901 6.965 1.00 0.00 C ATOM 1422 C SER A 91 5.711 7.296 6.382 1.00 0.00 C ATOM 1423 O SER A 91 5.213 8.397 6.628 1.00 0.00 O ATOM 1424 CB SER A 91 6.919 5.792 8.008 1.00 0.00 C ATOM 1425 OG SER A 91 8.187 5.418 8.516 1.00 0.00 O ATOM 0 H SER A 91 8.550 8.378 6.980 1.00 0.00 H new ATOM 0 HA SER A 91 7.681 6.513 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.280 6.134 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.430 4.927 7.561 1.00 0.00 H new ATOM 0 HG SER A 91 8.160 5.420 9.496 1.00 0.00 H new ATOM 1431 N VAL A 92 5.107 6.403 5.615 1.00 0.00 N ATOM 1432 CA VAL A 92 3.888 6.737 4.900 1.00 0.00 C ATOM 1433 C VAL A 92 2.650 6.420 5.725 1.00 0.00 C ATOM 1434 O VAL A 92 2.626 5.467 6.508 1.00 0.00 O ATOM 1435 CB VAL A 92 3.803 6.027 3.531 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.889 6.538 2.598 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.899 4.517 3.689 1.00 0.00 C ATOM 0 H VAL A 92 5.438 5.449 5.473 1.00 0.00 H new ATOM 0 HA VAL A 92 3.923 7.812 4.722 1.00 0.00 H new ATOM 0 HB VAL A 92 2.832 6.256 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.814 6.027 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.765 7.611 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.867 6.343 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.836 4.044 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.850 4.260 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.080 4.164 4.315 1.00 0.00 H new ATOM 1447 N LYS A 93 1.632 7.248 5.552 1.00 0.00 N ATOM 1448 CA LYS A 93 0.378 7.118 6.275 1.00 0.00 C ATOM 1449 C LYS A 93 -0.318 5.812 5.895 1.00 0.00 C ATOM 1450 O LYS A 93 -0.583 5.563 4.723 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.509 8.326 5.948 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.717 8.500 6.852 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.315 9.888 6.676 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.455 10.150 7.645 1.00 0.00 C ATOM 1455 NZ LYS A 93 -4.679 9.380 7.302 1.00 0.00 N ATOM 0 H LYS A 93 1.653 8.034 4.902 1.00 0.00 H new ATOM 0 HA LYS A 93 0.569 7.093 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.099 9.229 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.855 8.235 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.465 7.742 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.426 8.352 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.537 10.638 6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.677 9.999 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.137 9.890 8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.688 11.215 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.353 9.430 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.115 9.783 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.426 8.387 7.125 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.593 4.977 6.884 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.227 3.690 6.639 1.00 0.00 C ATOM 1471 C HIS A 94 -2.741 3.855 6.576 1.00 0.00 C ATOM 1472 O HIS A 94 -3.317 4.660 7.306 1.00 0.00 O ATOM 1473 CB HIS A 94 -0.833 2.683 7.728 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.323 1.286 7.481 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.442 0.762 8.088 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -0.828 0.299 6.697 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.617 -0.483 7.690 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.650 -0.792 6.843 1.00 0.00 N ATOM 0 H HIS A 94 -0.387 5.167 7.865 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.882 3.304 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.253 2.665 7.814 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.223 3.029 8.685 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.051 0.359 6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.415 -1.139 8.003 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.534 -1.691 6.376 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.370 3.107 5.685 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.807 3.200 5.479 1.00 0.00 C ATOM 1489 C TYR A 95 -5.474 1.856 5.725 1.00 0.00 C ATOM 1490 O TYR A 95 -4.813 0.816 5.738 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.107 3.686 4.059 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.722 5.126 3.817 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.607 6.149 4.107 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.476 5.463 3.307 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -5.268 7.468 3.900 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.124 6.785 3.099 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.026 7.784 3.396 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.688 9.108 3.199 1.00 0.00 O ATOM 0 H TYR A 95 -2.904 2.423 5.088 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.210 3.920 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.576 3.053 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.172 3.565 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.583 5.909 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.770 4.681 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.974 8.252 4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.149 7.032 2.706 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.778 9.163 2.840 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.785 1.884 5.910 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.545 0.683 6.217 1.00 0.00 C ATOM 1510 C GLU A 96 -8.212 0.138 4.962 1.00 0.00 C ATOM 1511 O GLU A 96 -9.050 0.805 4.356 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.596 1.001 7.282 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.995 1.462 8.600 1.00 0.00 C ATOM 1514 CD GLU A 96 -7.159 0.387 9.259 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.733 -0.451 9.984 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.928 0.373 9.061 1.00 0.00 O ATOM 0 H GLU A 96 -7.348 2.733 5.852 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.866 -0.079 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.263 1.776 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.205 0.114 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.378 2.343 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.796 1.762 9.276 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.838 -1.069 4.573 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.384 -1.682 3.372 1.00 0.00 C ATOM 1525 C ALA A 97 -9.070 -2.999 3.701 1.00 0.00 C ATOM 1526 O ALA A 97 -8.658 -3.710 4.622 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.287 -1.897 2.341 1.00 0.00 C ATOM 0 H ALA A 97 -7.159 -1.645 5.071 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.129 -1.006 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.712 -2.356 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.841 -0.938 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.521 -2.551 2.756 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.122 -3.311 2.955 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.852 -4.559 3.141 1.00 0.00 C ATOM 1535 C ARG A 98 -11.443 -5.034 1.818 1.00 0.00 C ATOM 1536 O ARG A 98 -11.543 -4.262 0.865 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.980 -4.388 4.163 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.143 -3.549 3.655 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.280 -3.514 4.661 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.433 -2.755 4.174 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.559 -2.593 4.868 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.693 -3.165 6.059 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.547 -1.866 4.363 1.00 0.00 N ATOM 0 H ARG A 98 -10.490 -2.715 2.213 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.146 -5.302 3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.351 -5.372 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.576 -3.925 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.801 -2.534 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.503 -3.957 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.590 -4.533 4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.924 -3.072 5.592 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.371 -2.326 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.934 -3.728 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.555 -3.041 6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.444 -1.433 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.410 -1.741 4.892 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.842 -6.296 1.769 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.503 -6.843 0.595 1.00 0.00 C ATOM 1559 C VAL A 99 -13.969 -7.132 0.913 1.00 0.00 C ATOM 1560 O VAL A 99 -14.281 -8.023 1.704 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.808 -8.128 0.088 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.546 -8.708 -1.109 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.359 -7.839 -0.271 1.00 0.00 C ATOM 0 H VAL A 99 -11.719 -6.962 2.532 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.439 -6.099 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.829 -8.866 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.038 -9.611 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.569 -8.953 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.561 -7.976 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.883 -8.753 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.322 -7.082 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.832 -7.474 0.610 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.853 -6.354 0.308 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.283 -6.453 0.563 1.00 0.00 C ATOM 1575 C LYS A 100 -17.024 -6.876 -0.695 1.00 0.00 C ATOM 1576 O LYS A 100 -17.017 -6.148 -1.684 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.815 -5.098 1.010 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.287 -5.112 1.390 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.895 -3.721 1.305 1.00 0.00 C ATOM 1580 CE LYS A 100 -18.935 -3.213 -0.131 1.00 0.00 C ATOM 1581 NZ LYS A 100 -19.657 -4.137 -1.045 1.00 0.00 N ATOM 0 H LYS A 100 -14.601 -5.637 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.443 -7.199 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.232 -4.753 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.663 -4.376 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.829 -5.788 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.399 -5.499 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.905 -3.739 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.316 -3.032 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.417 -2.236 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.916 -3.074 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.040 -3.601 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.000 -4.863 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.437 -4.595 -0.531 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.664 -8.048 -0.654 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.423 -8.573 -1.800 1.00 0.00 C ATOM 1597 C ASP A 101 -17.477 -8.871 -2.963 1.00 0.00 C ATOM 1598 O ASP A 101 -17.895 -9.119 -4.093 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.514 -7.575 -2.223 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.501 -8.153 -3.219 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -21.369 -8.948 -2.802 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.428 -7.804 -4.414 1.00 0.00 O ATOM 0 H ASP A 101 -17.673 -8.657 0.164 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.911 -9.502 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -20.055 -7.242 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.042 -6.694 -2.659 1.00 0.00 H new ATOM 1607 N GLY A 102 -16.187 -8.884 -2.660 1.00 0.00 N ATOM 1608 CA GLY A 102 -15.187 -9.057 -3.686 1.00 0.00 C ATOM 1609 C GLY A 102 -14.654 -7.729 -4.185 1.00 0.00 C ATOM 1610 O GLY A 102 -13.935 -7.682 -5.179 1.00 0.00 O ATOM 0 H GLY A 102 -15.817 -8.777 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.364 -9.654 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.615 -9.613 -4.520 1.00 0.00 H new ATOM 1614 N VAL A 103 -15.007 -6.650 -3.492 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.573 -5.312 -3.874 1.00 0.00 C ATOM 1616 C VAL A 103 -13.598 -4.757 -2.840 1.00 0.00 C ATOM 1617 O VAL A 103 -13.869 -4.797 -1.640 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.777 -4.349 -4.006 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.315 -2.943 -4.357 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.766 -4.861 -5.046 1.00 0.00 C ATOM 0 H VAL A 103 -15.595 -6.678 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.078 -5.389 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.282 -4.309 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.181 -2.287 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.655 -2.571 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.778 -2.963 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.605 -4.169 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.270 -4.938 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.132 -5.843 -4.747 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.465 -4.257 -3.307 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.471 -3.657 -2.434 1.00 0.00 C ATOM 1632 C VAL A 104 -11.924 -2.270 -2.014 1.00 0.00 C ATOM 1633 O VAL A 104 -12.052 -1.368 -2.844 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.094 -3.544 -3.124 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.036 -3.072 -2.137 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.692 -4.871 -3.752 1.00 0.00 C ATOM 0 H VAL A 104 -12.210 -4.256 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.368 -4.305 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.173 -2.804 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.073 -2.999 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.315 -2.094 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.961 -3.785 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.719 -4.766 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.635 -5.637 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.434 -5.161 -4.496 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.187 -2.108 -0.732 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.606 -0.825 -0.205 1.00 0.00 C ATOM 1648 C GLN A 105 -11.506 -0.198 0.624 1.00 0.00 C ATOM 1649 O GLN A 105 -10.764 -0.892 1.325 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.871 -0.957 0.631 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.115 -1.210 -0.195 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.374 -1.026 0.614 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.399 -1.289 1.818 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.427 -0.572 -0.038 1.00 0.00 N ATOM 0 H GLN A 105 -12.118 -2.850 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.820 -0.178 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.744 -1.773 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.010 -0.046 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.129 -0.531 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.085 -2.224 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.360 -0.368 -1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.308 -0.425 0.455 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.410 1.115 0.537 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.372 1.851 1.222 1.00 0.00 C ATOM 1665 C LEU A 106 -10.981 2.887 2.161 1.00 0.00 C ATOM 1666 O LEU A 106 -11.709 3.773 1.721 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.486 2.553 0.193 1.00 0.00 C ATOM 1668 CG LEU A 106 -7.982 2.431 0.423 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.233 3.302 -0.571 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.624 2.806 1.851 1.00 0.00 C ATOM 0 H LEU A 106 -12.047 1.696 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.776 1.154 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.718 2.152 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.748 3.611 0.176 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.686 1.394 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.160 3.209 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.468 2.981 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.532 4.342 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.547 2.712 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.927 3.835 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.141 2.140 2.542 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.691 2.761 3.448 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.087 3.770 4.421 1.00 0.00 C ATOM 1684 C ARG A 107 -9.848 4.477 4.942 1.00 0.00 C ATOM 1685 O ARG A 107 -8.956 3.851 5.521 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.859 3.161 5.595 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.375 4.209 6.569 1.00 0.00 C ATOM 1688 CD ARG A 107 -13.080 3.591 7.767 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.153 2.905 8.665 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.821 3.353 9.879 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -12.331 4.493 10.343 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.990 2.651 10.639 1.00 0.00 N ATOM 0 H ARG A 107 -10.183 1.970 3.843 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.748 4.478 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.700 2.584 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.211 2.465 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.542 4.819 6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.064 4.876 6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.606 4.371 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.833 2.885 7.418 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.734 2.031 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.981 5.032 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.072 4.827 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.606 1.771 10.296 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.736 2.992 11.566 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.792 5.773 4.734 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.639 6.525 5.164 1.00 0.00 C ATOM 1708 C GLY A 108 -8.997 7.648 6.105 1.00 0.00 C ATOM 1709 O GLY A 108 -9.914 8.421 5.835 1.00 0.00 O ATOM 0 H GLY A 108 -10.521 6.321 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.935 5.854 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.131 6.935 4.291 1.00 0.00 H new ATOM 1713 N GLY A 109 -8.267 7.740 7.209 1.00 0.00 N ATOM 1714 CA GLY A 109 -8.489 8.815 8.153 1.00 0.00 C ATOM 1715 C GLY A 109 -7.803 10.088 7.708 1.00 0.00 C ATOM 1716 O GLY A 109 -6.978 10.648 8.431 1.00 0.00 O ATOM 0 H GLY A 109 -7.525 7.089 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.559 8.994 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.116 8.523 9.135 1.00 0.00 H new ATOM 1720 N SER A 110 -8.124 10.523 6.501 1.00 0.00 N ATOM 1721 CA SER A 110 -7.527 11.712 5.923 1.00 0.00 C ATOM 1722 C SER A 110 -8.620 12.720 5.582 1.00 0.00 C ATOM 1723 O SER A 110 -8.713 13.753 6.279 1.00 0.00 O ATOM 1724 CB SER A 110 -6.718 11.345 4.671 1.00 0.00 C ATOM 1725 OG SER A 110 -5.717 10.377 4.972 1.00 0.00 O ATOM 1726 OXT SER A 110 -9.410 12.455 4.652 1.00 0.00 O ATOM 0 H SER A 110 -8.804 10.062 5.897 1.00 0.00 H new ATOM 0 HA SER A 110 -6.848 12.162 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.387 10.955 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.251 12.240 4.261 1.00 0.00 H new ATOM 0 HG SER A 110 -5.434 9.932 4.146 1.00 0.00 H new TER 1732 SER A 110